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Nuclear RNA export factor 1

Involved in the nuclear export of mRNA species bearing retroviral constitutive transport elements (CTE) and in the export of mRNA from the nucleus to the cytoplasm (TAP/NFX1 pathway)¹. The NXF1-NXT1 heterodimer is involved in the export of HSP70 mRNA in conjunction with ALYREF/THOC4 and THOC5 components of the TREX complex^2,3,4. ALYREF/THOC4-bound mRNA is thought to be transferred to the NXF1-NXT1 heterodimer for export^5,6,7. Also involved in nuclear export of m6A-containing mRNAs: interaction between SRSF3 and YTHDC1 facilitates m6A-containing mRNA-binding to both SRSF3 and NXF1, promoting mRNA nuclear export⁸.

AlphaFold DB , UniProt , Accession Q9UBU9, Species HUMAN (Homo sapiens, Human), Gene NXF1, Length 619 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.4	Very low	41.2	Very low	240 Å²	240	155 Å²	155	100%	1.182	84%	0.836	S	S	*	*				0	88.8	0	-64.5	-163.6	174.9	0	0	105.5
2	A	38.6	Very low	41.5	Very low	100 Å²	100	156.4 Å²	156.4	83%	0.826	84%	0.843	S	S	*	*				74.9	88.5	97.9	0	0	0	0	0	108.8
3	D	40.2	Very low	41.2	Very low	154 Å²	154	155.9 Å²	155.9	82%	0.824	84%	0.84	S	S	*	*				105.8	157.9	61	-164.9	22.1	0	0	0	109.9
4	E	47.2	Very low	41.2	Very low	181 Å²	181	158.3 Å²	158.3	85%	0.846	84%	0.843	S	S	*	*			trans	93.8	123.5	167.6	-54.3	-176	176.3	0	0	116.9
5	G	50.4	Low	40.7	Very low	80 Å²	80	163.9 Å²	163.9	83%	0.825	85%	0.848	S	S	*	*			cis	-174.6	151	5.2	0	0	0	0	0	112
6	K	35.9	Very low	40.7	Very low	191 Å²	191	162.6 Å²	162.6	83%	0.83	85%	0.849	S	S	*	*			trans	-110.4	148.5	172.7	-77.5	178.1	175.1	175.7	0	109.9
7	S	45.6	Very low	40.2	Very low	110 Å²	110	160 Å²	160	77%	0.769	84%	0.836	S	S	*	*			trans	-158.9	112.4	153.1	-173.5	0	0	0	0	106.7
8	Y	36.7	Very low	39.8	Very low	196 Å²	196	160.8 Å²	160.8	77%	0.769	83%	0.832	S	S	*	*				46	134.8	78.7	-63.7	-71.1	0	0	0	112.4
9	S	37.8	Very low	39.8	Very low	92 Å²	92	158.3 Å²	158.3	64%	0.643	83%	0.827	S	S	*	*			cis	-175.3	153.5	3.8	34.4	0	0	0	0	104.3
10	E	39.8	Very low	39.4	Very low	188 Å²	188	159.8 Å²	159.8	88%	0.879	83%	0.83	S	S	*	*				164.5	153.3	94.4	-112.2	163.1	-173.1	0	0	109.2
11	H	36.1	Very low	39.3	Very low	173 Å²	173	163.4 Å²	163.4	80%	0.801	83%	0.833	S	S	*	*			trans	-77.2	150.4	-179.6	-82	-95.5	0	0	0	112.7
12	D	45.8	Very low	38.9	Very low	172 Å²	172	161.2 Å²	161.2	92%	0.92	82%	0.816	S	S	*	*			trans	-146.9	124.6	144.1	-97.2	-32.1	0	0	0	111.5
13	D	37.2	Very low	38.7	Very low	150 Å²	150	166.5 Å²	166.5	80%	0.802	82%	0.821	S	S	*	*			trans	-84.2	124	171.5	-88.2	-53.1	0	0	0	109.2
14	E	40.9	Very low	38.6	Very low	189 Å²	189	169.4 Å²	169.4	88%	0.883	83%	0.826	S	S	*	*			trans	-133.7	114.4	154.5	-82.8	-154.2	152.8	0	0	112.5
15	R	33.9	Very low	38	Very low	243 Å²	243	164.3 Å²	164.3	92%	0.917	82%	0.822	S	S	*	*			trans	-71.1	132.5	166.1	-72.9	176.2	170.3	-169.9	-1.3	109.7
16	V	40.7	Very low	37.1	Very low	143 Å²	143	172.9 Å²	172.9	87%	0.867	83%	0.829	S	S	*	*			trans	-125	129.8	153.8	-167.3	0	0	0	0	109.3
17	N	31.7	Very low	37	Very low	118 Å²	118	166.9 Å²	166.9	63%	0.631	82%	0.822	S	S	*	*			trans	-116.6	160.2	-164	-159.9	7	0	0	0	110
18	F	34.3	Very low	36.6	Very low	175 Å²	175	167.3 Å²	167.3	77%	0.768	82%	0.822	S	S	*	*			trans	86.9	153.3	162.6	-65.3	-75.7	0	0	0	120.8
19	P	38.9	Very low	36.5	Very low	113 Å²	113	166.4 Å²	166.4	73%	0.734	82%	0.823	S	S	*	*			cis	-135.2	162.5	-15.4	25.2	-2.2	0	0	0	116.6
20	Q	31.3	Very low	36.4	Very low	188 Å²	188	173.1 Å²	173.1	88%	0.879	83%	0.834	S	S	*	*			trans	-41	136	161.8	-66	169.2	-29.6	0	0	114.9
21	R	37.8	Very low	36.3	Very low	236 Å²	236	174.5 Å²	174.5	89%	0.891	83%	0.831	S	S	*	*			trans	-146	105.1	148.3	-103.8	-177.7	179.9	-173.5	-0.3	113.6
22	K	35.8	Very low	36.2	Very low	193 Å²	193	174.8 Å²	174.8	84%	0.839	83%	0.83	S	S	*	*			trans	56	111.1	131.8	-66.7	-175.6	175.8	179.5	0	120.9
23	K	33.8	Very low	35.7	Very low	211 Å²	211	177.4 Å²	177.4	92%	0.917	83%	0.829	S	S	*	*			trans	-30	129.6	139.5	-80.1	173.7	169.9	172.1	0	113.7
24	K	39.1	Very low	35.7	Very low	216 Å²	216	173.5 Å²	173.5	94%	0.939	82%	0.824	S	S	*	*			trans	-175.1	134.2	147	-100.4	178.4	-179.5	-172.7	0	105.9
25	G	33.8	Very low	35.6	Very low	74 Å²	74	173.9 Å²	173.9	76%	0.763	83%	0.825	S	S	*	*			cis	-167.6	147.7	-0.1	0	0	0	0	0	107.8
26	R	32.9	Very low	35.8	Very low	259 Å²	259	166.2 Å²	166.2	98%	0.977	82%	0.822	S	S	*	*			trans	-65.9	130.1	164.9	-73	176.2	169.3	-171.8	-3.9	108.3
27	G	33.6	Very low	35.7	Very low	66 Å²	66	166.1 Å²	166.1	68%	0.68	82%	0.817	S	S	*	*			trans	-113.1	123.2	164.1	0	0	0	0	0	109.6
28	P	36.2	Very low	36.1	Very low	119 Å²	119	172.3 Å²	172.3	77%	0.773	83%	0.831	S	S	*	*			trans	-92.2	122.1	175.8	33.3	-25.1	0	0	0	109.5
29	F	35	Very low	36.4	Very low	176 Å²	176	174.8 Å²	174.8	77%	0.772	84%	0.835	S	S	*	*			trans	-99.8	91.6	166.7	-86.5	-69.2	0	0	0	109.9	W31	F29-W31 AromaticContact CD1-CD1 3.91Å; F29-W31 AromaticContact CD1-CE2 3.76Å; F29-W31 HydrophobicContact CD1-CZ2 4.13Å; F29-W31 AromaticContact CD1-NE1 3.17Å; F29-W31 AromaticContact CE1-CE2 3.86Å; F29-W31 AromaticContact CE1-CZ2 3.73Å; F29-W31 HydrophobicContact CE1-CZ2 3.73Å; F29-W31 AromaticContact CE1-NE1 3.6Å
30	R	35.7	Very low	36.5	Very low	233 Å²	233	175.2 Å²	175.2	88%	0.879	84%	0.841	S	S	*	*			trans	-111.7	103.1	163.2	-162.4	-175.3	-163.5	-168.5	5.2	106.1
31	W	37.3	Very low	36.7	Very low	217 Å²	217	169.6 Å²	169.6	82%	0.822	83%	0.833	S	S	*	*			trans	-93.3	117.5	170.2	-70.4	106.6	0	0	0	109.3	F29	F29-W31 AromaticContact CD1-CD1 3.91Å; F29-W31 AromaticContact CD1-CE2 3.76Å; F29-W31 HydrophobicContact CD1-CZ2 4.13Å; F29-W31 AromaticContact CD1-NE1 3.17Å; F29-W31 AromaticContact CE1-CE2 3.86Å; F29-W31 AromaticContact CE1-CZ2 3.73Å; F29-W31 HydrophobicContact CE1-CZ2 3.73Å; F29-W31 AromaticContact CE1-NE1 3.6Å
32	K	34.1	Very low	36.7	Very low	179 Å²	179	170.5 Å²	170.5	78%	0.778	84%	0.837	S	S	*	*			trans	-142.6	158.1	158.2	-98.3	-160.7	175.2	-170.1	0	107.5
33	Y	36	Very low	36.7	Very low	228 Å²	228	165.4 Å²	165.4	89%	0.894	84%	0.839	S	S	*	*			trans	87.8	133	-172.2	-51.6	-71.6	0	0	0	113.3
34	G	37	Very low	36.8	Very low	67 Å²	67	159 Å²	159	69%	0.691	83%	0.833	S	S	*	*			cis	-147.9	151.9	21.5	0	0	0	0	0	115.6
35	E	38.1	Very low	36.7	Very low	197 Å²	197	155.1 Å²	155.1	92%	0.921	83%	0.833	S	S	*	*			trans	5.5	129.3	144.8	-75.4	167.4	137.5	0	0	120.1
36	G	38.7	Very low	37	Very low	82 Å²	82	154.8 Å²	154.8	85%	0.845	83%	0.829	S	S	*	*			trans	-152	76.6	159.7	0	0	0	0	0	109.4
37	N	38.1	Very low	37.3	Very low	142 Å²	142	151 Å²	151	76%	0.759	83%	0.827	S	S	*	*			trans	-76.7	114.8	178	-167.6	31.2	0	0	0	109.8
38	R	40.5	Very low	37.3	Very low	247 Å²	247	159.3 Å²	159.3	93%	0.932	84%	0.838	S	S	*	*			trans	-147.1	123	150.6	-75.6	-156.8	179.9	-175.7	1.1	112.8
39	R	40.3	Very low	37.4	Very low	227 Å²	227	159.4 Å²	159.4	86%	0.857	84%	0.841	S	S	*	*			trans	-60.1	144.3	169.8	-62.3	164.8	171.5	176.4	-4.1	111.4
40	S	41.3	Very low	37.7	Very low	123 Å²	123	155.9 Å²	155.9	86%	0.86	84%	0.838	S	S	*	*				165.5	128.7	108.9	55.8	0	0	0	0	109.9
41	G	34.8	Very low	37.7	Very low	69 Å²	69	154.9 Å²	154.9	71%	0.711	83%	0.834	S	S	*	*			trans	-99	145.9	160.3	0	0	0	0	0	109.5
42	R	38.7	Very low	38.1	Very low	256 Å²	256	153.2 Å²	153.2	97%	0.966	84%	0.84	S	S	*	*			trans	159.5	133.9	136.4	-96.6	-176	172.4	-162.5	-1.6	111
43	G	36.2	Very low	38.5	Very low	86 Å²	86	151.4 Å²	151.4	89%	0.887	84%	0.835	S	S	*	*			trans	82.6	136.8	155.5	0	0	0	0	0	114
44	G	35.7	Very low	38.8	Very low	76 Å²	76	149.9 Å²	149.9	78%	0.784	84%	0.836	S	S	*	*			cis	178.1	154.8	5.4	0	0	0	0	0	108.2
45	S	37.9	Very low	39.1	Very low	134 Å²	134	154.4 Å²	154.4	94%	0.937	84%	0.844	S	S	*	*			trans	-33.6	147	174.1	-53.8	0	0	0	0	117.5
46	G	38.1	Very low	39.3	Very low	67 Å²	67	152.7 Å²	152.7	69%	0.691	84%	0.841	S	S	*	*			trans	149.5	116.9	135.9	0	0	0	0	0	117.1
47	I	40.1	Very low	39.6	Very low	180 Å²	180	151.9 Å²	151.9	92%	0.923	83%	0.833	S	S	*	*			trans	107.3	126.2	141.7	-55.1	166.9	0	0	0	117.3
48	R	34.4	Very low	39.9	Very low	241 Å²	241	153.2 Å²	153.2	91%	0.909	84%	0.84	S	S	*	*			trans	-83.3	172.3	-175.1	-77.3	171.2	153.7	-174.7	-6.5	113.5
49	S	38.4	Very low	40.6	Very low	120 Å²	120	147.3 Å²	147.3	84%	0.839	83%	0.832	S	S	*	*			trans	112.1	131.6	153.2	-152	0	0	0	0	112
50	S	40	Very low	40.7	Very low	102 Å²	102	141 Å²	141	71%	0.713	83%	0.828	S	S	*	*			cis	-154.5	130.9	19.6	49.8	0	0	0	0	108.8
51	R	37	Very low	41.4	Very low	212 Å²	212	143.6 Å²	143.6	80%	0.8	83%	0.829	S	S	*	*				44.4	107.1	95.9	-117.1	-174.2	-176.6	155.6	2.9	115.7	E53	R51-E53 IonicContact NE-OE1 3.48Å; R51-E53 PolarHBondContact NE-OE1 3.48Å; R51-E53 IonicContact NH2-OE1 3.86Å
52	L	45.9	Very low	41.6	Very low	182 Å²	182	145.3 Å²	145.3	95%	0.953	83%	0.829	S	S	*	*			trans	-145.7	128.5	137.9	-89.1	171.7	0	0	0	107.3
53	E	40.6	Very low	41.7	Very low	142 Å²	142	141.2 Å²	141.2	66%	0.664	83%	0.827	S	S	*	*			trans	-90.6	-177.1	-177.1	-71.3	168.5	176.1	0	0	110.5	R51	R51-E53 IonicContact NE-OE1 3.48Å; R51-E53 PolarHBondContact NE-OE1 3.48Å; R51-E53 IonicContact NH2-OE1 3.86Å
54	E	43.8	Very low	41.9	Very low	196 Å²	196	141.4 Å²	141.4	92%	0.916	82%	0.82	S	S	*	*			trans	94.3	121.9	178.2	-54.5	173.8	-172.6	0	0	113.1
55	D	42.9	Very low	42.2	Very low	162 Å²	162	147.2 Å²	147.2	87%	0.866	83%	0.827	S	S	*	*			cis	-159	139.5	14.1	-167.9	18	0	0	0	108.6
56	D	43.1	Very low	42.3	Very low	160 Å²	160	149.3 Å²	149.3	86%	0.856	83%	0.828	S	S	*	*			trans	-84.7	140.6	178.4	-93.2	-39.1	0	0	0	110
57	G	43.1	Very low	42.7	Very low	66 Å²	66	148.6 Å²	148.6	68%	0.68	82%	0.82	S	S	*	*			trans	-159	54.2	177.9	0	0	0	0	0	113.4	V59	G57-V59 PolarHBondContact O-N 3.39Å
58	D	46	Very low	43.2	Very low	169 Å²	169	146.3 Å²	146.3	90%	0.904	82%	0.817	S	S	*	*			trans	-72.6	108.1	166.3	-88.9	-24.3	0	0	0	109.7	A60	D58-A60 PolarHBondContact O-N 3.3Å
59	V	54.6	Low	43.3	Very low	124 Å²	124	146.2 Å²	146.2	75%	0.752	82%	0.817	S	S	*	*			trans	-83.6	106.2	175.7	178.6	0	0	0	0	109.7	G57 M61	G57-V59 PolarHBondContact O-N 3.39Å; V59-M61 HydrophobicContact CG1-CG 3.87Å; V59-M61 HydrophobicContact CG1-SD 4.44Å
60	A	42.4	Very low	43.5	Very low	93 Å²	93	147.2 Å²	147.2	77%	0.769	82%	0.817	S	S	*	*			trans	-86.2	107.8	161	0	0	0	0	0	109.4	D58 S62	D58-A60 PolarHBondContact O-N 3.3Å; A60-S62 PolarHBondContact O-N 3.43Å
61	M	55.7	Low	43.4	Very low	179 Å²	179	153.1 Å²	153.1	88%	0.882	82%	0.824	S	S	*	*			trans	-89	95.4	167.9	-73.7	-74.2	-91.3	0	0	109.1	V59	V59-M61 HydrophobicContact CG1-CG 3.87Å; V59-M61 HydrophobicContact CG1-SD 4.44Å
62	S	39	Very low	43.3	Very low	104 Å²	104	153.3 Å²	153.3	73%	0.727	83%	0.826	S	S	*	*			trans	-109.1	111.6	152.9	57.9	0	0	0	0	107.4	A60	A60-S62 PolarHBondContact O-N 3.43Å
63	D	41.7	Very low	43.3	Very low	171 Å²	171	151.5 Å²	151.5	91%	0.914	82%	0.818	S	S	*	*			trans	-149.5	147.4	147.5	-106.1	-30	0	0	0	111.6
64	A	40.6	Very low	43.2	Very low	90 Å²	90	148.6 Å²	148.6	74%	0.744	81%	0.811	S	S	*	*			trans	-69.3	138.3	-164.5	0	0	0	0	0	113.4
65	Q	41.7	Very low	42.9	Very low	197 Å²	197	149.4 Å²	149.4	92%	0.921	81%	0.807	S	S	*	*			trans	-148.7	116.3	135.6	-107.5	172.9	3.7	0	0	108.6
66	D	40.3	Very low	42.6	Very low	179 Å²	179	148 Å²	148	96%	0.957	81%	0.805	S	S	*	*			trans	-61.5	126.6	177.4	-98.3	-41.7	0	0	0	111.2
67	G	45.9	Very low	42.2	Very low	52 Å²	52	146.7 Å²	146.7	54%	0.536	80%	0.802	S	S	.	*			trans	-158.6	131.8	165.4	0	0	0	0	0	107.5	R69	G67-R69 PolarHBondContact O-N 3.06Å
68	P	49.2	Very low	41.7	Very low	132 Å²	132	154.6 Å²	154.6	86%	0.857	81%	0.812	S	S	*	*			trans	-63.2	112.2	-168.7	23.8	-31.4	0	0	0	110.5	V70	P68-V70 PolarHBondContact O-N 2.87Å
69	R	37.8	Very low	41.4	Very low	239 Å²	239	152.6 Å²	152.6	90%	0.902	81%	0.808	S	S	*	*			trans	-59	104.8	169.6	-78.3	178	163.9	179.8	-4.1	109.6	G67 R71	G67-R69 PolarHBondContact O-N 3.06Å; R69-R71 PolarHBondContact O-N 2.97Å; R69-R71 VanDerWaalsContact O-N 3.16Å
70	V	42.2	Very low	40.5	Very low	141 Å²	141	153.5 Å²	153.5	86%	0.855	81%	0.809	S	S	*	*			trans	-70.8	104.8	159.9	179.4	0	0	0	0	107.3	P68 Y72	P68-V70 PolarHBondContact O-N 2.87Å; V70-Y72 PolarHBondContact O-N 3.28Å
71	R	37.2	Very low	40.1	Very low	226 Å²	226	161 Å²	161	85%	0.853	82%	0.817	S	S	*	*			trans	-64.5	115.1	173.2	-73.8	-178.7	-173.1	173.6	2.6	109.1	R69 N73	R69-R71 PolarHBondContact O-N 2.97Å; R69-R71 VanDerWaalsContact O-N 3.16Å; R71-N73 PolarHBondContact O-N 3.27Å
72	Y	36.7	Very low	39.1	Very low	215 Å²	215	163.8 Å²	163.8	84%	0.843	82%	0.818	S	S	*	*			trans	-67.7	108.4	163.2	-158.5	-94.8	0	0	0	108	V70 P74	V70-Y72 PolarHBondContact O-N 3.28Å; Y72-P74 VanDerWaalsContact O-CD 3.26Å; Y72-P74 WeakPolarHBondContact O-CD 3.5Å
73	N	45.9	Very low	38.8	Very low	145 Å²	145	161.8 Å²	161.8	78%	0.775	81%	0.813	S	S	*	*			trans	-83.8	113	168.1	-99.8	-4.8	0	0	0	108.5	R71	R71-N73 PolarHBondContact O-N 3.27Å
74	P	37.6	Very low	38.5	Very low	80 Å²	80	160.7 Å²	160.7	52%	0.519	81%	0.807	S	S	.	*			trans	-78.9	156.6	151.1	34.2	-27	0	0	0	108.2	Y72	Y72-P74 VanDerWaalsContact O-CD 3.26Å; Y72-P74 WeakPolarHBondContact O-CD 3.5Å
75	Y	37.2	Very low	38	Very low	213 Å²	213	161.5 Å²	161.5	84%	0.835	80%	0.803	S	S	*	*			trans	104.7	140.9	174.5	-58.1	-73.1	0	0	0	117.5
76	T	36.4	Very low	37.6	Very low	134 Å²	134	162.5 Å²	162.5	82%	0.822	80%	0.799	S	S	*	*			trans	84.2	121.1	177.8	80.3	0	0	0	0	113.1
77	T	36.1	Very low	37.3	Very low	131 Å²	131	161.6 Å²	161.6	80%	0.804	79%	0.788	S	S	*	*			cis	-158.5	133.5	9.2	-36.8	0	0	0	0	108.4
78	R	31.7	Very low	36.6	Very low	233 Å²	233	164.7 Å²	164.7	88%	0.879	79%	0.793	S	S	*	*			trans	-70.6	155.9	170.1	-75.4	177.4	170.8	-175.3	-1.8	111.1
79	P	39.7	Very low	35.9	Very low	126 Å²	126	168.2 Å²	168.2	82%	0.818	79%	0.789	S	S	*	*			trans	-111.4	111.6	139	2.4	17.8	0	0	0	110.8
80	N	35.8	Very low	35.5	Very low	144 Å²	144	162.8 Å²	162.8	77%	0.77	78%	0.778	S	S	*	*			trans	37.3	102.7	148	-74.9	-20.3	0	0	0	120
81	R	33.5	Very low	35	Very low	251 Å²	251	166 Å²	166	95%	0.947	77%	0.774	S	S	*	*			trans	-102.4	109.3	136.1	-83.7	-174	178.8	178	0	108.4
82	R	35.5	Very low	34.3	Very low	237 Å²	237	162 Å²	162	89%	0.894	77%	0.769	S	S	*	*			trans	-98.5	127.7	146.6	-74.6	-176.2	178.4	-171.6	-0.5	104.2
83	G	32.8	Very low	33.9	Very low	61 Å²	61	160.3 Å²	160.3	63%	0.629	77%	0.768	S	S	*	*				110.1	138.4	60.1	0	0	0	0	0	106
84	D	34.5	Very low	32.8	Very low	148 Å²	148	159 Å²	159	79%	0.791	77%	0.765	S	S	*	*			trans	87.4	95.8	-175.6	-47.2	-25.2	0	0	0	112.4
85	T	30.6	Very low	32.2	Very low	108 Å²	108	161 Å²	161	66%	0.663	78%	0.776	S	S	*	*				52.7	117.7	66.3	-32.8	0	0	0	0	108.8
86	W	33	Very low	31.6	Very low	218 Å²	218	156.3 Å²	156.3	83%	0.826	77%	0.769	S	S	*	*				174.8	121.2	104.5	-85.8	75.4	0	0	0	103.1
87	H	33.7	Very low	31	Very low	159 Å²	159	161 Å²	161	74%	0.736	77%	0.772	S	S	*	*				51	131.1	111.1	-61.7	-62.4	0	0	0	113.3
88	D	31.5	Very low	30.7	Very low	118 Å²	118	165.6 Å²	165.6	63%	0.631	78%	0.775	S	S	*	*			cis	173.8	163	17.9	175.2	26.3	0	0	0	103.8
89	R	34.7	Very low	30.4	Very low	206 Å²	206	160.4 Å²	160.4	78%	0.777	76%	0.764	S	S	*	*			trans	67.6	147	163	-75.7	166.4	-170.1	-153.5	-3.6	119.4
90	D	29.4	Very low	30	Very low	125 Å²	125	165.4 Å²	165.4	67%	0.668	77%	0.767	S	S	*	*			cis	172.5	150.4	-23.1	-122.8	-33.4	0	0	0	104.1
91	R	30.5	Very low	29.8	Very low	207 Å²	207	163.4 Å²	163.4	78%	0.781	77%	0.77	S	S	*	*			trans	69.3	106	155.3	-66.5	170	172.4	-163.2	-5.1	117.3
92	I	23.8	Very low	29.8	Very low	144 Å²	144	157 Å²	157	74%	0.738	76%	0.761	S	S	*	*				48.7	112.8	72.5	-53.4	174.2	0	0	0	112.1
93	H	27.2	Very low	30	Very low	178 Å²	178	151.4 Å²	151.4	82%	0.824	76%	0.755	S	S	*	*				-165	115.1	125.1	-104.2	-69.8	0	0	0	113.2
94	V	22.6	Very low	30.2	Very low	117 Å²	117	158 Å²	158	71%	0.709	77%	0.77	S	S	*	*			trans	-75.2	141.9	155.3	169.5	0	0	0	0	108.5
95	T	25.8	Very low	30.1	Very low	122 Å²	122	163.1 Å²	163.1	75%	0.748	78%	0.778	S	S	*	*			trans	164.3	114.8	136	40.5	0	0	0	0	110.1
96	V	23.7	Very low	30.3	Very low	115 Å²	115	161.8 Å²	161.8	70%	0.697	79%	0.786	S	S	*	*				79.8	111.3	85.4	174.7	0	0	0	0	115.2
97	R	24.9	Very low	30	Very low	232 Å²	232	155.3 Å²	155.3	88%	0.875	79%	0.787	S	S	*	*			trans	58.3	126.2	142.8	-66.1	175.2	-179.6	-177.4	-2	122.1
98	R	29	Very low	30	Very low	228 Å²	228	152.6 Å²	152.6	86%	0.86	79%	0.792	S	S	*	*				161.6	114.2	114.1	-95.3	-170.1	174.4	148	-1.6	109.5
99	D	26.8	Very low	29.8	Very low	125 Å²	125	150 Å²	150	67%	0.668	79%	0.793	S	S	*	*				100.4	118.2	90.5	-96.1	-39.2	0	0	0	113.3
100	R	30	Very low	29.4	Very low	231 Å²	231	147 Å²	147	87%	0.872	80%	0.798	S	S	*	*			trans	58.4	116.1	145.6	-67.3	178.7	176.9	-175.6	-3.3	121.4
101	A	31.4	Very low	29.5	Very low	101 Å²	101	146.2 Å²	146.2	84%	0.835	80%	0.802	S	S	*	*				-169.9	131.5	103.5	0	0	0	0	0	111.6
102	P	33.8	Very low	29.3	Very low	118 Å²	118	144.7 Å²	144.7	77%	0.766	80%	0.804	S	S	*	*			trans	-119.4	-176.8	157	38.4	-26.5	0	0	0	110.5
103	P	40.5	Very low	29.5	Very low	118 Å²	118	145 Å²	145	77%	0.766	81%	0.807	S	S	*	*			cis	-126	175.1	-32	32.6	-14.7	0	0	0	111.8
104	E	37.4	Very low	29.6	Very low	201 Å²	201	140.2 Å²	140.2	94%	0.939	81%	0.806	S	S	*	*			trans	-128.8	133.8	156.1	-84.7	-165.3	159.1	0	0	112.4
105	R	32.5	Very low	30.2	Very low	254 Å²	254	140.9 Å²	140.9	96%	0.958	81%	0.811	S	S	*	*			trans	-71.7	145	-179.5	-72.1	171.2	173	179.9	-2.7	111
106	G	33.4	Very low	31.2	Very low	80 Å²	80	139.8 Å²	139.8	83%	0.825	81%	0.808	S	S	*	*			trans	-172.1	92.4	161	0	0	0	0	0	110.1
107	G	26.8	Very low	33	Very low	82 Å²	82	140.9 Å²	140.9	85%	0.845	80%	0.803	S	S	*	*			trans	-83.3	147.9	177.7	0	0	0	0	0	113.2
108	A	34.8	Very low	35.7	Very low	102 Å²	102	134.6 Å²	134.6	84%	0.843	79%	0.787	S	S	*	*			trans	-178.9	120.8	147.8	0	0	0	0	0	104
109	G	26.8	Very low	38.6	Very low	63 Å²	63	124.1 Å²	124.1	65%	0.649	75%	0.748	S	S	*	*			cis	97.6	111.5	46.2	0	0	0	0	0	108.3
110	T	27.1	Very low	41.7	Very low	144 Å²	144	119.6 Å²	119.6	88%	0.883	72%	0.722	S	S	*	*			trans	89.8	135.4	150.3	67.4	0	0	0	0	122.2
111	S	30.1	Very low	44.8	Very low	109 Å²	109	111.2 Å²	111.2	76%	0.762	69%	0.692	S	S	*	*			trans	75.4	117.5	155.1	103.3	0	0	0	0	118.6
112	Q	27.3	Very low	47.8	Very low	174 Å²	174	106.4 Å²	106.4	81%	0.813	65%	0.652	S	S	*	*				43.5	97.5	73.5	-80.1	-174.9	-25.4	0	0	111.4
113	D	27.6	Very low	50.7	Low	150 Å²	150	101.1 Å²	101.1	80%	0.802	62%	0.618	S	S	*	*				159.7	148	124.6	-92.4	-23.6	0	0	0	111.5	T115	D113-T115 PolarHBondContact O-N 3.38Å
114	G	29.6	Very low	53.2	Low	78 Å²	78	95.5 Å²	95.5	80%	0.804	58%	0.581	S	S	*	*			trans	-53.5	104.6	-178.1	0	0	0	0	0	112.3	S116	G114-S116 PolarHBondContact O-N 3.43Å
115	T	35	Very low	55.9	Low	132 Å²	132	87.3 Å²	87.3	81%	0.81	55%	0.546	S	S	*	.			trans	-78.9	109.7	174.3	41	0	0	0	0	108.8	D113 K117	D113-T115 PolarHBondContact O-N 3.38Å; T115-K117 PolarHBondContact O-N 2.97Å; T115-K117 VanDerWaalsContact O-N 3.08Å
116	S	47.5	Very low	58.7	Low	99 Å²	99	82.3 Å²	82.3	69%	0.692	53%	0.528	S	S	*	.			trans	-38.7	113.6	168.4	-40.7	0	0	0	0	110.3	G114 N118	G114-S116 PolarHBondContact O-N 3.43Å; S116-N118 PolarHBondContact O-N 3.18Å
117	K	60.6	Low	61.3	Low	138 Å²	138	78.5 Å²	78.5	60%	0.6	49%	0.488	S	S	*	.			trans	-56.7	106	176.1	-69.3	169.7	167.6	-154.7	0	108.8	T115 W119 E164	T115-K117 PolarHBondContact O-N 2.97Å; T115-K117 VanDerWaalsContact O-N 3.08Å; K117-W119 VanDerWaalsContact O-CD1 3.28Å; K117-W119 PolarHBondContact O-N 3.14Å; K117-E164 HydrophobicContact CB-CG 4.39Å; K117-E164 HydrophobicContact CD-CG 4.42Å; K117-E164 WeakPolarHBondContact CD-OE1 3.38Å; K117-E164 WeakPolarHBondContact CE-OE1 3.22Å; K117-E164 HydrophobicContact CG-CG 4.41Å; K117-E164 IonicContact NZ-OE1 2.65Å; K117-E164 PolarHBondContact NZ-OE1 3.39Å
118	N	82.1	Confident	64.3	Low	100 Å²	100	82.3 Å²	82.3	54%	0.535	48%	0.477	S	S	.	.			trans	-85.3	113.3	179.4	-78.1	-21.3	0	0	0	109	S116 F120 E164	S116-N118 PolarHBondContact O-N 3.18Å; N118-F120 HydrophobicContact CB-CE2 3.87Å; N118-F120 HydrophobicContact CB-CZ 4.19Å; N118-F120 VanDerWaalsContact O-CD2 3.27Å; N118-F120 WeakPolarHBondContact O-CD2 3.45Å; N118-F120 WeakPolarHBondContact O-CE2 3.48Å; N118-E164 CarbonylContact O-C 3.6Å
119	W	89.2	Confident	67	Low	8 Å²	8	84 Å²	84	3%	0.03	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	142.1	-179.4	-72.3	87.7	0	0	0	111.7	K117 I150 F162 E164 S194 P196 P197 I200	K117-W119 VanDerWaalsContact O-CD1 3.28Å; K117-W119 PolarHBondContact O-N 3.14Å; W119-I150 HydrophobicContact CH2-CD1 3.55Å; W119-I150 HydrophobicContact CZ3-CB 4.45Å; W119-I150 HydrophobicContact CZ3-CD1 3.56Å; W119-I150 HydrophobicContact CZ3-CG2 4.45Å; W119-F162 HydrophobicContact CE3-CB 4.08Å; W119-F162 HydrophobicContact CZ3-CB 4.27Å; W119-E164 HydrophobicContact CE3-CB 4.47Å; W119-E164 HydrophobicContact CH2-CB 3.54Å; W119-E164 HydrophobicContact CH2-CG 3.61Å; W119-E164 HydrophobicContact CZ2-CB 3.94Å; W119-E164 HydrophobicContact CZ2-CG 3.48Å; W119-E164 VanDerWaalsContact CZ2-CG 3.48Å; W119-E164 HydrophobicContact CZ3-CB 3.9Å; W119-E164 HydrophobicContact CZ3-CG 4.38Å; W119-S194 WeakPolarHBondContact CB-O 3.29Å; W119-S194 PolarHBondContact O-N 3.04Å; W119-P196 VanDerWaalsContact CD1-CA 3.48Å; W119-P196 VanDerWaalsContact CD1-CG 3.47Å; W119-P196 HydrophobicContact CD2-CB 4.3Å; W119-P196 VanDerWaalsContact CG-CA 3.48Å; W119-P196 HydrophobicContact CG-CB 4.08Å; W119-P196 HydrophobicContact CG-CG 4.29Å; W119-P197 HydrophobicContact CD2-CG 4.31Å; W119-P197 HydrophobicContact CE3-CG 3.72Å; W119-P197 HydrophobicContact CH2-CG 4.22Å; W119-P197 HydrophobicContact CZ3-CG 3.63Å; W119-I200 HydrophobicContact CH2-CD1 2.91Å; W119-I200 HydrophobicContact CH2-CG1 4.39Å; W119-I200 HydrophobicContact CZ2-CD1 3.09Å; W119-I200 HydrophobicContact CZ2-CG1 4.4Å; W119-I200 HydrophobicContact CZ2-CG2 4.3Å; W119-I200 HydrophobicContact CZ3-CD1 3.76Å
120	F	92.9	Very high	70.1	Confident	29 Å²	29	82.6 Å²	82.6	13%	0.127	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.2	175.9	-60.2	-92.4	0	0	0	109.9	N118 I122 F162 V163 A166 A169 I191 N192	N118-F120 HydrophobicContact CB-CE2 3.87Å; N118-F120 HydrophobicContact CB-CZ 4.19Å; N118-F120 VanDerWaalsContact O-CD2 3.27Å; N118-F120 WeakPolarHBondContact O-CD2 3.45Å; N118-F120 WeakPolarHBondContact O-CE2 3.48Å; F120-I122 HydrophobicContact CB-CD1 4.2Å; F120-I122 WeakPolarHBondContact O-CD1 3.07Å; F120-F162 VanDerWaalsContact O-CA 3.3Å; F120-F162 WeakPolarHBondContact O-CA 3.37Å; F120-V163 HydrophobicContact CB-CG2 4.02Å; F120-V163 PolarHBondContact N-O 3.05Å; F120-V163 PolarHBondContact O-N 2.96Å; F120-V163 VanDerWaalsContact O-N 3.07Å; F120-A166 VanDerWaalsContact CE2-CA 3.42Å; F120-A166 HydrophobicContact CE2-CB 3.82Å; F120-A166 HydrophobicContact CZ-CB 3.77Å; F120-A169 HydrophobicContact CB-CB 3.77Å; F120-A169 HydrophobicContact CD1-CB 3.84Å; F120-A169 HydrophobicContact CD2-CB 3.57Å; F120-A169 HydrophobicContact CE1-CB 4.34Å; F120-A169 HydrophobicContact CE2-CB 4.12Å; F120-A169 HydrophobicContact CG-CB 3.42Å; F120-A169 VanDerWaalsContact CG-CB 3.42Å; F120-A169 HydrophobicContact CZ-CB 4.46Å; F120-I191 HydrophobicContact CB-CG2 3.94Å; F120-I191 HydrophobicContact CD1-CG2 4.16Å; F120-I191 HydrophobicContact CG-CG2 4.42Å; F120-N192 CarbonylContact C-O 3.58Å; F120-N192 WeakPolarHBondContact CA-O 3.21Å
121	K	93.5	Very high	73.1	Confident	55 Å²	55	80.7 Å²	80.7	24%	0.239	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.7	172.5	-177.7	172.6	-179.5	167.8	0	109.4	F162 I191 N192 S194	K121-F162 HydrophobicContact CB-CD1 3.92Å; K121-F162 HydrophobicContact CB-CE1 3.7Å; K121-F162 HydrophobicContact CD-CE1 4.01Å; K121-F162 HydrophobicContact CD-CZ 4.08Å; K121-F162 HydrophobicContact CG-CD1 4.32Å; K121-F162 HydrophobicContact CG-CE1 3.83Å; K121-F162 HydrophobicContact CG-CZ 4.14Å; K121-I191 WeakPolarHBondContact O-CA 3.38Å; K121-N192 PolarHBondContact N-O 3.08Å; K121-N192 PolarHBondContact O-N 3.29Å; K121-S194 PolarHBondContact N-OG 3.23Å
122	I	94.4	Very high	76	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.6	176.2	-64.7	55.8	0	0	0	107.2	F120 Q160 F161 V163 L172 I189 I190 I191	F120-I122 HydrophobicContact CB-CD1 4.2Å; F120-I122 WeakPolarHBondContact O-CD1 3.07Å; I122-Q160 VanDerWaalsContact O-CA 3.25Å; I122-Q160 WeakPolarHBondContact O-CA 3.36Å; I122-F161 HydrophobicContact CB-CD1 4.13Å; I122-F161 HydrophobicContact CB-CD2 4.04Å; I122-F161 HydrophobicContact CB-CE1 3.86Å; I122-F161 HydrophobicContact CB-CE2 3.76Å; I122-F161 HydrophobicContact CB-CG 4.23Å; I122-F161 HydrophobicContact CB-CZ 3.68Å; I122-F161 HydrophobicContact CD1-CE2 4.29Å; I122-F161 HydrophobicContact CG1-CD2 4.22Å; I122-F161 HydrophobicContact CG1-CE2 3.69Å; I122-F161 HydrophobicContact CG1-CZ 3.91Å; I122-F161 HydrophobicContact CG2-CD1 4.15Å; I122-F161 HydrophobicContact CG2-CE1 3.47Å; I122-F161 VanDerWaalsContact CG2-CE1 3.47Å; I122-F161 HydrophobicContact CG2-CE2 4.05Å; I122-F161 HydrophobicContact CG2-CZ 3.42Å; I122-F161 VanDerWaalsContact CG2-CZ 3.42Å; I122-F161 PolarHBondContact N-O 2.8Å; I122-F161 PolarHBondContact O-N 3.01Å; I122-F161 VanDerWaalsContact O-N 3.08Å; I122-V163 HydrophobicContact CD1-CB 4.33Å; I122-V163 HydrophobicContact CD1-CG1 4.01Å; I122-V163 HydrophobicContact CD1-CG2 3.64Å; I122-L172 HydrophobicContact CD1-CD1 4.37Å; I122-L172 HydrophobicContact CG1-CD1 3.89Å; I122-I189 HydrophobicContact CG2-CG2 3.63Å; I122-I190 CarbonylContact C-O 3.25Å; I122-I190 WeakPolarHBondContact CA-O 3.44Å; I122-I191 HydrophobicContact CD1-CG2 4.5Å; I122-I191 HydrophobicContact CG1-CD1 4.47Å; I122-I191 HydrophobicContact CG1-CG1 4.27Å
123	T	95.3	Very high	79.1	Confident	8 Å²	8	75.2 Å²	75.2	5%	0.049	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.8	179.3	-60.2	0	0	0	0	109.5	P125 R158 Q160 I190	T123-P125 WeakPolarHBondContact O-CD 3.49Å; T123-R158 HydrophobicContact CG2-CB 4.21Å; T123-R158 HydrophobicContact CG2-CG 4.45Å; T123-Q160 HydrophobicContact CG2-CG 4.23Å; T123-I190 PolarHBondContact N-O 3.33Å; T123-I190 PolarHBondContact O-N 2.83Å
124	I	94.3	Very high	82.2	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	102.2	175.8	-59.2	168.5	0	0	0	107.2	Y126 G127 L135 I139 R158 A159 F161 I187 I189	I124-Y126 PolarHBondContact O-N 2.86Å; I124-G127 PolarHBondContact O-N 2.82Å; I124-L135 HydrophobicContact CD1-CD1 4.15Å; I124-L135 HydrophobicContact CD1-CD2 3.65Å; I124-L135 HydrophobicContact CD1-CG 3.96Å; I124-I139 HydrophobicContact CD1-CD1 3.52Å; I124-R158 WeakPolarHBondContact O-CA 3.26Å; I124-A159 HydrophobicContact CB-CB 4.31Å; I124-A159 PolarHBondContact N-O 2.93Å; I124-A159 PolarHBondContact O-N 3.25Å; I124-F161 HydrophobicContact CD1-CE1 4.12Å; I124-I187 HydrophobicContact CG2-CG2 3.69Å; I124-I189 HydrophobicContact CG1-CG1 4.42Å
125	P	92.6	Very high	85.2	Confident	29 Å²	29	67.4 Å²	67.4	19%	0.188	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	138.8	174.2	-23.2	34.4	0	0	0	110.8	T123 G127 S188 I190	T123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-G127 PolarHBondContact O-N 2.88Å; P125-S188 WeakPolarHBondContact CD-O 3.42Å; P125-I190 HydrophobicContact CG-CD1 3.58Å; P125-I190 HydrophobicContact CG-CG1 4.2Å
126	Y	91.3	Very high	88	Confident	149 Å²	149	62.5 Å²	62.5	58%	0.584	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	12.3	-176.4	-49.2	-75.9	0	0	0	114.7	I124 R128 K129 T157	I124-Y126 PolarHBondContact O-N 2.86Å; Y126-R128 PolarHBondContact O-N 2.83Å; Y126-R128 VanDerWaalsContact O-N 3.12Å; Y126-K129 PolarHBondContact O-N 3.4Å; Y126-K129 VanDerWaalsContact O-N 3.16Å; Y126-T157 CarbonylContact C-O 3.38Å; Y126-T157 WeakPolarHBondContact CA-O 3.5Å; Y126-T157 PolarHBondContact N-O 3.3Å
127	G	88.2	Confident	90.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-61.7	-20.9	-177.1	0	0	0	0	0	114.5	I124 P125 K129 Y130 T157	I124-G127 PolarHBondContact O-N 2.82Å; P125-G127 PolarHBondContact O-N 2.88Å; G127-K129 PolarHBondContact O-N 2.8Å; G127-K129 VanDerWaalsContact O-N 3.16Å; G127-Y130 PolarHBondContact O-N 3.32Å; G127-T157 PolarHBondContact N-O 2.75Å; G127-T157 VanDerWaalsContact N-O 3.15Å
128	R	91.2	Very high	91.7	Very high	162 Å²	162	56.8 Å²	56.8	61%	0.611	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-62.3	-19.2	176.2	-171.1	171	-178.6	-174.9	2.1	113.6	Y126 Y130 Y154 N156 T157	Y126-R128 PolarHBondContact O-N 2.83Å; Y126-R128 VanDerWaalsContact O-N 3.12Å; R128-Y130 PolarHBondContact O-N 3.2Å; R128-Y154 HydrophobicContact CB-CD1 3.97Å; R128-Y154 HydrophobicContact CB-CE1 4.5Å; R128-Y154 HydrophobicContact CG-CD1 4.18Å; R128-Y154 HydrophobicContact CG-CG 4.35Å; R128-N156 WeakPolarHBondContact CD-O 3.35Å; R128-N156 PolarHBondContact NH1-O 3.09Å; R128-T157 PolarHBondContact N-O 2.86Å
129	K	91	Very high	92.2	Very high	138 Å²	138	52 Å²	52	60%	0.6	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-72.3	-13.4	174.7	-63.7	-175.3	178.4	-174.2	0	113.3	Y126 G127	Y126-K129 PolarHBondContact O-N 3.4Å; Y126-K129 VanDerWaalsContact O-N 3.16Å; G127-K129 PolarHBondContact O-N 2.8Å; G127-K129 VanDerWaalsContact O-N 3.16Å
130	Y	90.7	Very high	92.3	Very high	33 Å²	33	54.9 Å²	54.9	13%	0.129	26%	0.262	C	S	.	.	S	Bend	trans	-110.1	140.3	-175.3	-49.8	-55.4	0	0	0	111.4	G127 R128 W134 L135 Y154 D181 I187	G127-Y130 PolarHBondContact O-N 3.32Å; R128-Y130 PolarHBondContact O-N 3.2Å; Y130-W134 HydrophobicContact CD1-CE3 4.16Å; Y130-W134 HydrophobicContact CD1-CH2 4.14Å; Y130-W134 AromaticContact CD1-CZ3 3.47Å; Y130-W134 HydrophobicContact CD1-CZ3 3.47Å; Y130-W134 VanDerWaalsContact CD1-CZ3 3.47Å; Y130-W134 HydrophobicContact CD2-CZ3 4.29Å; Y130-W134 HydrophobicContact CE1-CH2 4.41Å; Y130-W134 HydrophobicContact CE1-CZ3 4.12Å; Y130-W134 HydrophobicContact CG-CE3 4.1Å; Y130-W134 AromaticContact CG-CZ3 3.59Å; Y130-W134 HydrophobicContact CG-CZ3 3.59Å; Y130-L135 HydrophobicContact CD2-CD1 3.87Å; Y130-L135 HydrophobicContact CD2-CD2 4.45Å; Y130-L135 HydrophobicContact CG-CD1 4.36Å; Y130-Y154 PolarHBondContact O-OH 3.24Å; Y130-D181 HydrophobicContact CE1-CB 3.7Å; Y130-D181 WeakPolarHBondContact OH-CB 3.49Å; Y130-D181 PolarHBondContact OH-OD2 3.3Å; Y130-I187 HydrophobicContact CD2-CD1 4.28Å; Y130-I187 HydrophobicContact CE1-CD1 4.49Å; Y130-I187 HydrophobicContact CE2-CD1 3.8Å; Y130-I187 HydrophobicContact CE2-CG1 4.11Å
131	D	91.1	Very high	92.3	Very high	103 Å²	103	57.2 Å²	57.2	55%	0.551	28%	0.282	S	S	*	.			trans	-60.3	140.5	168.8	172.8	71.9	0	0	0	111	A133 W134 L135	D131-A133 PolarHBondContact O-N 2.95Å; D131-A133 WeakPolarHBondContact OD2-CA 3.47Å; D131-A133 WeakPolarHBondContact OD2-CB 3.41Å; D131-A133 PolarHBondContact OD2-N 2.97Å; D131-W134 HydrophobicContact CB-CB 4.12Å; D131-W134 PolarHBondContact O-N 3.4Å; D131-W134 PolarHBondContact OD2-N 2.88Å; D131-L135 VanDerWaalsContact O-CB 3.31Å; D131-L135 WeakPolarHBondContact O-CB 3.22Å; D131-L135 PolarHBondContact O-N 3.34Å
132	K	90.8	Very high	92.2	Very high	101 Å²	101	60.2 Å²	60.2	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-57.8	-47.9	-177	174.7	-179	176.4	-178.8	0	111.8	L135 L136 F152 Y154	K132-L135 PolarHBondContact O-N 2.88Å; K132-L136 HydrophobicContact CG-CD1 3.88Å; K132-L136 WeakPolarHBondContact O-CB 3.49Å; K132-L136 VanDerWaalsContact O-CG 3.27Å; K132-L136 WeakPolarHBondContact O-CG 2.97Å; K132-L136 PolarHBondContact O-N 3.16Å; K132-F152 HydrophobicContact CB-CE1 4Å; K132-F152 HydrophobicContact CB-CZ 4.35Å; K132-F152 HydrophobicContact CD-CD1 3.67Å; K132-F152 HydrophobicContact CD-CE1 3.98Å; K132-F152 HydrophobicContact CD-CG 4.26Å; K132-F152 HydrophobicContact CG-CD1 3.83Å; K132-F152 HydrophobicContact CG-CE1 3.7Å; K132-F152 HydrophobicContact CG-CG 4.34Å; K132-F152 HydrophobicContact CG-CZ 4.07Å; K132-Y154 PolarHBondContact N-OH 2.81Å
133	A	92	Very high	91.9	Very high	68 Å²	68	60.8 Å²	60.8	56%	0.562	30%	0.299	S	S	*	.	H	α-helix	trans	-68.9	-42.6	-176.4	0	0	0	0	0	110.7	D131 S137	D131-A133 PolarHBondContact O-N 2.95Å; D131-A133 WeakPolarHBondContact OD2-CA 3.47Å; D131-A133 WeakPolarHBondContact OD2-CB 3.41Å; D131-A133 PolarHBondContact OD2-N 2.97Å; A133-S137 VanDerWaalsContact O-CB 3.29Å; A133-S137 WeakPolarHBondContact O-CB 3.26Å; A133-S137 PolarHBondContact O-N 3.04Å; A133-S137 PolarHBondContact O-OG 2.93Å
134	W	93.9	Very high	91.7	Very high	63 Å²	63	65.5 Å²	65.5	24%	0.239	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-50	174.7	179.8	82.9	0	0	0	111.8	Y130 D131 L136 S137 M138 I187	Y130-W134 HydrophobicContact CD1-CE3 4.16Å; Y130-W134 HydrophobicContact CD1-CH2 4.14Å; Y130-W134 AromaticContact CD1-CZ3 3.47Å; Y130-W134 HydrophobicContact CD1-CZ3 3.47Å; Y130-W134 VanDerWaalsContact CD1-CZ3 3.47Å; Y130-W134 HydrophobicContact CD2-CZ3 4.29Å; Y130-W134 HydrophobicContact CE1-CH2 4.41Å; Y130-W134 HydrophobicContact CE1-CZ3 4.12Å; Y130-W134 HydrophobicContact CG-CE3 4.1Å; Y130-W134 AromaticContact CG-CZ3 3.59Å; Y130-W134 HydrophobicContact CG-CZ3 3.59Å; D131-W134 HydrophobicContact CB-CB 4.12Å; D131-W134 PolarHBondContact O-N 3.4Å; D131-W134 PolarHBondContact OD2-N 2.88Å; W134-L136 PolarHBondContact O-N 2.9Å; W134-S137 PolarHBondContact O-N 2.98Å; W134-S137 PolarHBondContact O-OG 3.43Å; W134-M138 HydrophobicContact CD2-CG 4.18Å; W134-M138 HydrophobicContact CH2-CG 4.42Å; W134-M138 HydrophobicContact CZ2-CG 3.91Å; W134-M138 WeakPolarHBondContact O-CG 3.15Å; W134-M138 PolarHBondContact O-N 3.13Å; W134-I187 HydrophobicContact CH2-CD1 3.98Å; W134-I187 HydrophobicContact CZ3-CD1 4.01Å
135	L	92.7	Very high	91.4	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-47.2	-177.2	-175.1	60.9	0	0	0	111.8	I124 Y130 D131 K132 M138 I139 F152 A159 I187	I124-L135 HydrophobicContact CD1-CD1 4.15Å; I124-L135 HydrophobicContact CD1-CD2 3.65Å; I124-L135 HydrophobicContact CD1-CG 3.96Å; Y130-L135 HydrophobicContact CD2-CD1 3.87Å; Y130-L135 HydrophobicContact CD2-CD2 4.45Å; Y130-L135 HydrophobicContact CG-CD1 4.36Å; D131-L135 VanDerWaalsContact O-CB 3.31Å; D131-L135 WeakPolarHBondContact O-CB 3.22Å; D131-L135 PolarHBondContact O-N 3.34Å; K132-L135 PolarHBondContact O-N 2.88Å; L135-M138 PolarHBondContact O-N 2.91Å; L135-I139 HydrophobicContact CD1-CD1 4.25Å; L135-I139 HydrophobicContact CG-CD1 4.11Å; L135-I139 WeakPolarHBondContact O-CD1 3.39Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.28Å; L135-I139 PolarHBondContact O-N 3.24Å; L135-I139 VanDerWaalsContact O-N 3.12Å; L135-F152 HydrophobicContact CD2-CZ 4.38Å; L135-A159 HydrophobicContact CD2-CB 3.99Å; L135-I187 HydrophobicContact CD1-CD1 4.14Å
136	L	92.8	Very high	91.1	Very high	30 Å²	30	71.4 Å²	71.4	16%	0.157	37%	0.369	C	S	.	.	H	α-helix	trans	-65.5	-40.8	179.2	-68.7	175	0	0	0	112	K132 W134 M138 I139 Q140 F147 P149 F152 F161	K132-L136 HydrophobicContact CG-CD1 3.88Å; K132-L136 WeakPolarHBondContact O-CB 3.49Å; K132-L136 VanDerWaalsContact O-CG 3.27Å; K132-L136 WeakPolarHBondContact O-CG 2.97Å; K132-L136 PolarHBondContact O-N 3.16Å; W134-L136 PolarHBondContact O-N 2.9Å; L136-M138 PolarHBondContact O-N 3.3Å; L136-I139 PolarHBondContact O-N 3.31Å; L136-Q140 WeakPolarHBondContact O-CB 3.32Å; L136-Q140 PolarHBondContact O-N 3.44Å; L136-F147 HydrophobicContact CD2-CE2 4.16Å; L136-F147 HydrophobicContact CD2-CZ 4.39Å; L136-P149 HydrophobicContact CD1-CG 3.76Å; L136-P149 HydrophobicContact CD2-CB 4.03Å; L136-P149 HydrophobicContact CD2-CG 3.78Å; L136-P149 HydrophobicContact CG-CG 4.39Å; L136-F152 HydrophobicContact CD1-CD2 4.46Å; L136-F152 HydrophobicContact CD2-CD2 4.17Å; L136-F152 HydrophobicContact CD2-CE2 4.21Å; L136-F152 HydrophobicContact CG-CE2 4.44Å; L136-F161 HydrophobicContact CD2-CE1 4.41Å
137	S	92.1	Very high	91	Very high	64 Å²	64	65 Å²	65	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-41.7	177.1	72.2	0	0	0	0	112.5	A133 W134 Q140 S141	A133-S137 VanDerWaalsContact O-CB 3.29Å; A133-S137 WeakPolarHBondContact O-CB 3.26Å; A133-S137 PolarHBondContact O-N 3.04Å; A133-S137 PolarHBondContact O-OG 2.93Å; W134-S137 PolarHBondContact O-N 2.98Å; W134-S137 PolarHBondContact O-OG 3.43Å; S137-Q140 PolarHBondContact O-N 2.83Å; S137-S141 WeakPolarHBondContact O-CB 3.3Å; S137-S141 PolarHBondContact O-N 3.49Å
138	M	92.9	Very high	90.9	Very high	53 Å²	53	70.5 Å²	70.5	26%	0.261	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-40.5	177.4	-73.5	-57.1	-59.5	0	0	112.2	W134 L135 L136 S141 I179	W134-M138 HydrophobicContact CD2-CG 4.18Å; W134-M138 HydrophobicContact CH2-CG 4.42Å; W134-M138 HydrophobicContact CZ2-CG 3.91Å; W134-M138 WeakPolarHBondContact O-CG 3.15Å; W134-M138 PolarHBondContact O-N 3.13Å; L135-M138 PolarHBondContact O-N 2.91Å; L136-M138 PolarHBondContact O-N 3.3Å; M138-S141 PolarHBondContact O-N 2.92Å; M138-S141 PolarHBondContact O-OG 3.17Å; M138-I179 HydrophobicContact CB-CD1 4.24Å; M138-I179 HydrophobicContact CB-CG2 3.98Å; M138-I179 HydrophobicContact CE-CG2 3.89Å
139	I	92.8	Very high	90.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-45.8	175	-62.6	166	0	0	0	110.3	I124 L135 L136 S141 K142 C143 F147 L172 V175 I179 I189	I124-I139 HydrophobicContact CD1-CD1 3.52Å; L135-I139 HydrophobicContact CD1-CD1 4.25Å; L135-I139 HydrophobicContact CG-CD1 4.11Å; L135-I139 WeakPolarHBondContact O-CD1 3.39Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.28Å; L135-I139 PolarHBondContact O-N 3.24Å; L135-I139 VanDerWaalsContact O-N 3.12Å; L136-I139 PolarHBondContact O-N 3.31Å; I139-S141 VanDerWaalsContact C-N 3.26Å; I139-S141 PolarHBondContact O-N 3.35Å; I139-K142 PolarHBondContact O-N 2.98Å; I139-K142 VanDerWaalsContact O-N 3.14Å; I139-C143 WeakPolarHBondContact O-CB 3.41Å; I139-C143 PolarHBondContact O-N 2.71Å; I139-F147 HydrophobicContact CB-CE1 4.23Å; I139-F147 HydrophobicContact CB-CZ 3.97Å; I139-F147 HydrophobicContact CG2-CE1 3.6Å; I139-F147 HydrophobicContact CG2-CZ 3.53Å; I139-L172 HydrophobicContact CG2-CD2 3.36Å; I139-V175 HydrophobicContact CG2-CG1 4.48Å; I139-I179 HydrophobicContact CB-CD1 4.23Å; I139-I179 HydrophobicContact CG1-CD1 3.59Å; I139-I189 HydrophobicContact CD1-CD1 4.28Å; I139-I189 HydrophobicContact CG1-CD1 4.08Å; I139-I189 HydrophobicContact CG2-CD1 4.35Å
140	Q	91.9	Very high	90.3	Very high	68 Å²	68	60 Å²	60	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-33.5	178.5	-172.4	56.6	76.8	0	0	112.7	L136 S137 K142 V145 F147	L136-Q140 WeakPolarHBondContact O-CB 3.32Å; L136-Q140 PolarHBondContact O-N 3.44Å; S137-Q140 PolarHBondContact O-N 2.83Å; Q140-K142 VanDerWaalsContact C-N 3.26Å; Q140-K142 PolarHBondContact O-N 2.82Å; Q140-V145 PolarHBondContact NE2-O 2.86Å; Q140-F147 HydrophobicContact CB-CE1 4.08Å; Q140-F147 VanDerWaalsContact OE1-CD1 3.28Å; Q140-F147 VanDerWaalsContact OE1-N 3.09Å
141	S	92.4	Very high	89.9	Confident	78 Å²	78	61.1 Å²	61.1	55%	0.545	35%	0.349	S	S	.	.	H	α-helix	trans	-67.8	-22.8	177.8	79.1	0	0	0	0	114.3	S137 M138 I139	S137-S141 WeakPolarHBondContact O-CB 3.3Å; S137-S141 PolarHBondContact O-N 3.49Å; M138-S141 PolarHBondContact O-N 2.92Å; M138-S141 PolarHBondContact O-OG 3.17Å; I139-S141 VanDerWaalsContact C-N 3.26Å; I139-S141 PolarHBondContact O-N 3.35Å
142	K	91	Very high	89.9	Confident	117 Å²	117	57.6 Å²	57.6	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-109.3	-17	-178.4	-64.9	-58.9	-176.5	-175.5	0	113.4	I139 Q140 V175 I179	I139-K142 PolarHBondContact O-N 2.98Å; I139-K142 VanDerWaalsContact O-N 3.14Å; Q140-K142 VanDerWaalsContact C-N 3.26Å; Q140-K142 PolarHBondContact O-N 2.82Å; K142-V175 HydrophobicContact CB-CG1 3.77Å; K142-V175 HydrophobicContact CB-CG2 4.23Å; K142-I179 HydrophobicContact CG-CG1 4.12Å
143	C	89.8	Confident	89.9	Confident	13 Å²	13	55.8 Å²	55.8	9%	0.088	32%	0.322	C	S	.	.			trans	-76.4	132	176.7	-164.1	0	0	0	0	110	I139 V145 F147 L172 V175	I139-C143 WeakPolarHBondContact O-CB 3.41Å; I139-C143 PolarHBondContact O-N 2.71Å; C143-V145 PolarHBondContact O-N 2.93Å; C143-V145 PolarHBondContact SG-O 3.47Å; C143-F147 HydrophobicContact CB-CD1 4.38Å; C143-F147 HydrophobicContact CB-CE1 4.43Å; C143-L172 HydrophobicContact CB-CD2 4.49Å; C143-V175 HydrophobicContact CB-CG2 3.91Å
144	S	90.1	Very high	89.8	Confident	106 Å²	106	56.8 Å²	56.8	74%	0.741	31%	0.312	S	S	*	.	S	Bend	trans	-72.9	-15.8	176.7	53.7	0	0	0	0	113.2
145	V	87.4	Confident	89.5	Confident	45 Å²	45	57.9 Å²	57.9	27%	0.273	32%	0.32	S	S	.	.	S	Bend	trans	-119.2	131.4	-177.2	-176.6	0	0	0	0	108.8	Q140 C143 A171	Q140-V145 PolarHBondContact NE2-O 2.86Å; C143-V145 PolarHBondContact O-N 2.93Å; C143-V145 PolarHBondContact SG-O 3.47Å; V145-A171 HydrophobicContact CB-CB 3.86Å; V145-A171 HydrophobicContact CG2-CB 3.63Å
146	P	86.8	Confident	89.4	Confident	108 Å²	108	63.9 Å²	63.9	70%	0.701	35%	0.351	S	S	*	.			trans	-62.5	134.1	169.7	26.5	-32.3	0	0	0	110.1
147	F	88.8	Confident	89.3	Confident	16 Å²	16	66 Å²	66	7%	0.07	37%	0.366	C	S	.	.			trans	-131.7	150.1	-179.7	73.2	-84.1	0	0	0	111.6	L136 I139 Q140 C143 P149 F161 T168 L172	L136-F147 HydrophobicContact CD2-CE2 4.16Å; L136-F147 HydrophobicContact CD2-CZ 4.39Å; I139-F147 HydrophobicContact CB-CE1 4.23Å; I139-F147 HydrophobicContact CB-CZ 3.97Å; I139-F147 HydrophobicContact CG2-CE1 3.6Å; I139-F147 HydrophobicContact CG2-CZ 3.53Å; Q140-F147 HydrophobicContact CB-CE1 4.08Å; Q140-F147 VanDerWaalsContact OE1-CD1 3.28Å; Q140-F147 VanDerWaalsContact OE1-N 3.09Å; C143-F147 HydrophobicContact CB-CD1 4.38Å; C143-F147 HydrophobicContact CB-CE1 4.43Å; F147-P149 HydrophobicContact CE2-CB 4.32Å; F147-P149 HydrophobicContact CE2-CG 4.43Å; F147-F161 HydrophobicContact CD2-CE2 4.09Å; F147-F161 AromaticContact CE2-CE2 3.82Å; F147-F161 HydrophobicContact CE2-CE2 3.82Å; F147-F161 AromaticContact CE2-CZ 3.91Å; F147-F161 HydrophobicContact CE2-CZ 3.91Å; F147-T168 HydrophobicContact CB-CG2 3.43Å; F147-T168 VanDerWaalsContact CB-CG2 3.43Å; F147-L172 HydrophobicContact CD1-CD2 3.85Å; F147-L172 HydrophobicContact CD2-CD1 4.32Å; F147-L172 HydrophobicContact CD2-CD2 4.44Å; F147-L172 HydrophobicContact CE1-CD2 3.78Å; F147-L172 HydrophobicContact CE2-CD2 4.37Å; F147-L172 HydrophobicContact CG-CD1 4.37Å; F147-L172 HydrophobicContact CG-CD2 4.2Å; F147-L172 HydrophobicContact CZ-CD2 4.05Å
148	T	85.9	Confident	89.4	Confident	115 Å²	115	69.2 Å²	69.2	71%	0.706	37%	0.368	S	S	*	.			trans	-113.3	112.2	173.9	-55.3	0	0	0	0	108.6	I150	T148-I150 PolarHBondContact O-N 3.34Å
149	P	86.2	Confident	89.5	Confident	38 Å²	38	66.7 Å²	66.7	25%	0.247	36%	0.356	C	S	.	.			trans	-72.4	123.6	-179.5	28.5	-33.7	0	0	0	111	L136 F147 F161	L136-P149 HydrophobicContact CD1-CG 3.76Å; L136-P149 HydrophobicContact CD2-CB 4.03Å; L136-P149 HydrophobicContact CD2-CG 3.78Å; L136-P149 HydrophobicContact CG-CG 4.39Å; F147-P149 HydrophobicContact CE2-CB 4.32Å; F147-P149 HydrophobicContact CE2-CG 4.43Å; P149-F161 HydrophobicContact CB-CB 3.93Å; P149-F161 HydrophobicContact CB-CD2 3.52Å; P149-F161 HydrophobicContact CB-CE2 4.09Å; P149-F161 HydrophobicContact CB-CG 3.75Å
150	I	83.3	Confident	89.5	Confident	40 Å²	40	66.8 Å²	66.8	21%	0.205	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.6	178.7	-63	168.9	0	0	0	109.5	W119 T148 F152 F161 F162 P197 I200	W119-I150 HydrophobicContact CH2-CD1 3.55Å; W119-I150 HydrophobicContact CZ3-CB 4.45Å; W119-I150 HydrophobicContact CZ3-CD1 3.56Å; W119-I150 HydrophobicContact CZ3-CG2 4.45Å; T148-I150 PolarHBondContact O-N 3.34Å; I150-F152 VanDerWaalsContact C-N 3.34Å; I150-F152 PolarHBondContact O-N 2.85Å; I150-F161 CarbonylContact O-C 3.42Å; I150-F161 WeakPolarHBondContact O-CA 3.23Å; I150-F162 HydrophobicContact CB-CB 4.32Å; I150-F162 WeakPolarHBondContact CB-O 3.27Å; I150-F162 PolarHBondContact N-O 3.07Å; I150-F162 PolarHBondContact O-N 3.3Å; I150-P197 HydrophobicContact CG2-CB 4.36Å; I150-P197 HydrophobicContact CG2-CG 3.73Å; I150-I200 HydrophobicContact CD1-CD1 4.45Å; I150-I200 HydrophobicContact CG2-CD1 4.3Å
151	E	83.7	Confident	89.6	Confident	58 Å²	58	63.6 Å²	63.6	27%	0.271	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.6	47.1	178.6	-157.1	-179.2	147.9	0	0	113.4	H153 F162 P197 H198 T199	E151-H153 PolarHBondContact O-N 3.44Å; E151-H153 PolarHBondContact O-ND1 2.96Å; E151-F162 HydrophobicContact CB-CD2 4Å; E151-F162 HydrophobicContact CB-CE2 4.31Å; E151-P197 HydrophobicContact CB-CB 4.22Å; E151-P197 WeakPolarHBondContact OE2-CB 3.11Å; E151-H198 PolarHBondContact OE2-N 3.15Å; E151-T199 HydrophobicContact CG-CG2 4.21Å; E151-T199 PolarHBondContact OE2-N 3.05Å
152	F	89.8	Confident	89.5	Confident	29 Å²	29	60.7 Å²	60.7	13%	0.127	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123.5	177	-175	-76.9	0	0	0	111.2	K132 L135 L136 I150 Y154 A159 Q160 F161	K132-F152 HydrophobicContact CB-CE1 4Å; K132-F152 HydrophobicContact CB-CZ 4.35Å; K132-F152 HydrophobicContact CD-CD1 3.67Å; K132-F152 HydrophobicContact CD-CE1 3.98Å; K132-F152 HydrophobicContact CD-CG 4.26Å; K132-F152 HydrophobicContact CG-CD1 3.83Å; K132-F152 HydrophobicContact CG-CE1 3.7Å; K132-F152 HydrophobicContact CG-CG 4.34Å; K132-F152 HydrophobicContact CG-CZ 4.07Å; L135-F152 HydrophobicContact CD2-CZ 4.38Å; L136-F152 HydrophobicContact CD1-CD2 4.46Å; L136-F152 HydrophobicContact CD2-CD2 4.17Å; L136-F152 HydrophobicContact CD2-CE2 4.21Å; L136-F152 HydrophobicContact CG-CE2 4.44Å; I150-F152 VanDerWaalsContact C-N 3.34Å; I150-F152 PolarHBondContact O-N 2.85Å; F152-Y154 HydrophobicContact CE1-CE1 4.04Å; F152-Y154 HydrophobicContact CE1-CE2 4.03Å; F152-Y154 AromaticContact CE1-CZ 3.78Å; F152-Y154 HydrophobicContact CZ-CE1 4.11Å; F152-A159 HydrophobicContact CE2-CB 4.22Å; F152-A159 HydrophobicContact CZ-CB 3.8Å; F152-Q160 CarbonylContact C-O 3.51Å; F152-Q160 VanDerWaalsContact CA-O 3.26Å; F152-Q160 WeakPolarHBondContact CA-O 3.36Å; F152-F161 HydrophobicContact CB-CB 4.08Å; F152-F161 HydrophobicContact CD2-CB 3.91Å; F152-F161 AromaticContact CD2-CD1 3.79Å; F152-F161 HydrophobicContact CD2-CD1 3.79Å; F152-F161 HydrophobicContact CD2-CG 4.18Å; F152-F161 HydrophobicContact CE2-CD1 4.09Å; F152-F161 HydrophobicContact CG-CB 4.41Å
153	H	91.3	Very high	89.5	Confident	63 Å²	63	55.2 Å²	55.2	29%	0.292	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	166.1	177.5	63.1	-78.4	0	0	0	111.8	E151 Q160	E151-H153 PolarHBondContact O-N 3.44Å; E151-H153 PolarHBondContact O-ND1 2.96Å; H153-Q160 PolarHBondContact N-O 3.47Å; H153-Q160 PolarHBondContact NE2-OE1 3.01Å; H153-Q160 PolarHBondContact O-N 3.45Å
154	Y	90.9	Very high	89.1	Confident	88 Å²	88	57.8 Å²	57.8	35%	0.345	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.4	172.7	-62.7	-73	0	0	0	109.6	R128 Y130 K132 F152 R158 A159	R128-Y154 HydrophobicContact CB-CD1 3.97Å; R128-Y154 HydrophobicContact CB-CE1 4.5Å; R128-Y154 HydrophobicContact CG-CD1 4.18Å; R128-Y154 HydrophobicContact CG-CG 4.35Å; Y130-Y154 PolarHBondContact O-OH 3.24Å; K132-Y154 PolarHBondContact N-OH 2.81Å; F152-Y154 HydrophobicContact CE1-CE1 4.04Å; F152-Y154 HydrophobicContact CE1-CE2 4.03Å; F152-Y154 AromaticContact CE1-CZ 3.78Å; F152-Y154 HydrophobicContact CZ-CE1 4.11Å; Y154-R158 WeakPolarHBondContact CA-O 3.47Å; Y154-A159 HydrophobicContact CD1-CB 3.82Å; Y154-A159 HydrophobicContact CE1-CB 3.81Å
155	E	87.7	Confident	88.8	Confident	87 Å²	87	55.5 Å²	55.5	41%	0.407	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.2	176	-170.4	-178.3	-148.3	0	0	108.7	T157 R158 Q160	E155-T157 PolarHBondContact O-N 3.21Å; E155-T157 VanDerWaalsContact O-N 3.1Å; E155-R158 PolarHBondContact N-O 2.97Å; E155-R158 WeakPolarHBondContact O-CB 3.42Å; E155-R158 PolarHBondContact O-N 2.97Å; E155-Q160 VanDerWaalsContact OE2-CD 3.3Å; E155-Q160 PolarHBondContact OE2-NE2 3.41Å; E155-Q160 PolarHBondContact OE2-OE1 3.29Å
156	N	89.4	Confident	88.9	Confident	125 Å²	125	55.5 Å²	55.5	67%	0.668	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	-109	-173.7	-61.8	-44.7	0	0	0	112.7	R128	R128-N156 WeakPolarHBondContact CD-O 3.35Å; R128-N156 PolarHBondContact NH1-O 3.09Å
157	T	91.8	Very high	89	Confident	76 Å²	76	54 Å²	54	47%	0.466	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-2.5	176	57.3	0	0	0	0	112.7	Y126 G127 R128 E155	Y126-T157 CarbonylContact C-O 3.38Å; Y126-T157 WeakPolarHBondContact CA-O 3.5Å; Y126-T157 PolarHBondContact N-O 3.3Å; G127-T157 PolarHBondContact N-O 2.75Å; G127-T157 VanDerWaalsContact N-O 3.15Å; R128-T157 PolarHBondContact N-O 2.86Å; E155-T157 PolarHBondContact O-N 3.21Å; E155-T157 VanDerWaalsContact O-N 3.1Å
158	R	94.2	Very high	89.1	Confident	130 Å²	130	53.9 Å²	53.9	49%	0.491	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	150.6	-169.8	-51.8	179.2	172.6	175.7	-2.9	110.8	T123 I124 Y154 E155	T123-R158 HydrophobicContact CG2-CB 4.21Å; T123-R158 HydrophobicContact CG2-CG 4.45Å; I124-R158 WeakPolarHBondContact O-CA 3.26Å; Y154-R158 WeakPolarHBondContact CA-O 3.47Å; E155-R158 PolarHBondContact N-O 2.97Å; E155-R158 WeakPolarHBondContact O-CB 3.42Å; E155-R158 PolarHBondContact O-N 2.97Å
159	A	93.6	Very high	89.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.8	163.8	0	0	0	0	0	108.9	I124 L135 F152 Y154	I124-A159 HydrophobicContact CB-CB 4.31Å; I124-A159 PolarHBondContact N-O 2.93Å; I124-A159 PolarHBondContact O-N 3.25Å; L135-A159 HydrophobicContact CD2-CB 3.99Å; F152-A159 HydrophobicContact CE2-CB 4.22Å; F152-A159 HydrophobicContact CZ-CB 3.8Å; Y154-A159 HydrophobicContact CD1-CB 3.82Å; Y154-A159 HydrophobicContact CE1-CB 3.81Å
160	Q	94.3	Very high	89.6	Confident	3 Å²	3	50.4 Å²	50.4	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.1	-175.6	-63.8	-179.9	4.4	0	0	111.3	I122 T123 F152 H153 E155	I122-Q160 VanDerWaalsContact O-CA 3.25Å; I122-Q160 WeakPolarHBondContact O-CA 3.36Å; T123-Q160 HydrophobicContact CG2-CG 4.23Å; F152-Q160 CarbonylContact C-O 3.51Å; F152-Q160 VanDerWaalsContact CA-O 3.26Å; F152-Q160 WeakPolarHBondContact CA-O 3.36Å; H153-Q160 PolarHBondContact N-O 3.47Å; H153-Q160 PolarHBondContact NE2-OE1 3.01Å; H153-Q160 PolarHBondContact O-N 3.45Å; E155-Q160 VanDerWaalsContact OE2-CD 3.3Å; E155-Q160 PolarHBondContact OE2-NE2 3.41Å; E155-Q160 PolarHBondContact OE2-OE1 3.29Å
161	F	92.6	Very high	90	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	172.1	170.3	62.9	-88.2	0	0	0	110	I122 I124 L136 F147 P149 I150 F152 V163 L172	I122-F161 HydrophobicContact CB-CD1 4.13Å; I122-F161 HydrophobicContact CB-CD2 4.04Å; I122-F161 HydrophobicContact CB-CE1 3.86Å; I122-F161 HydrophobicContact CB-CE2 3.76Å; I122-F161 HydrophobicContact CB-CG 4.23Å; I122-F161 HydrophobicContact CB-CZ 3.68Å; I122-F161 HydrophobicContact CD1-CE2 4.29Å; I122-F161 HydrophobicContact CG1-CD2 4.22Å; I122-F161 HydrophobicContact CG1-CE2 3.69Å; I122-F161 HydrophobicContact CG1-CZ 3.91Å; I122-F161 HydrophobicContact CG2-CD1 4.15Å; I122-F161 HydrophobicContact CG2-CE1 3.47Å; I122-F161 VanDerWaalsContact CG2-CE1 3.47Å; I122-F161 HydrophobicContact CG2-CE2 4.05Å; I122-F161 HydrophobicContact CG2-CZ 3.42Å; I122-F161 VanDerWaalsContact CG2-CZ 3.42Å; I122-F161 PolarHBondContact N-O 2.8Å; I122-F161 PolarHBondContact O-N 3.01Å; I122-F161 VanDerWaalsContact O-N 3.08Å; I124-F161 HydrophobicContact CD1-CE1 4.12Å; L136-F161 HydrophobicContact CD2-CE1 4.41Å; F147-F161 HydrophobicContact CD2-CE2 4.09Å; F147-F161 AromaticContact CE2-CE2 3.82Å; F147-F161 HydrophobicContact CE2-CE2 3.82Å; F147-F161 AromaticContact CE2-CZ 3.91Å; F147-F161 HydrophobicContact CE2-CZ 3.91Å; P149-F161 HydrophobicContact CB-CB 3.93Å; P149-F161 HydrophobicContact CB-CD2 3.52Å; P149-F161 HydrophobicContact CB-CE2 4.09Å; P149-F161 HydrophobicContact CB-CG 3.75Å; I150-F161 CarbonylContact O-C 3.42Å; I150-F161 WeakPolarHBondContact O-CA 3.23Å; F152-F161 HydrophobicContact CB-CB 4.08Å; F152-F161 HydrophobicContact CD2-CB 3.91Å; F152-F161 AromaticContact CD2-CD1 3.79Å; F152-F161 HydrophobicContact CD2-CD1 3.79Å; F152-F161 HydrophobicContact CD2-CG 4.18Å; F152-F161 HydrophobicContact CE2-CD1 4.09Å; F152-F161 HydrophobicContact CG-CB 4.41Å; F161-V163 HydrophobicContact CD2-CG1 4.21Å; F161-V163 HydrophobicContact CE2-CG1 3.99Å; F161-L172 HydrophobicContact CE2-CD1 4.08Å; F161-L172 HydrophobicContact CZ-CD1 4.36Å
162	F	91.4	Very high	90.4	Very high	18 Å²	18	46.1 Å²	46.1	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.4	-177.3	-59.9	-97.8	0	0	0	111.7	W119 F120 K121 I150 E151 S194 P197	W119-F162 HydrophobicContact CE3-CB 4.08Å; W119-F162 HydrophobicContact CZ3-CB 4.27Å; F120-F162 VanDerWaalsContact O-CA 3.3Å; F120-F162 WeakPolarHBondContact O-CA 3.37Å; K121-F162 HydrophobicContact CB-CD1 3.92Å; K121-F162 HydrophobicContact CB-CE1 3.7Å; K121-F162 HydrophobicContact CD-CE1 4.01Å; K121-F162 HydrophobicContact CD-CZ 4.08Å; K121-F162 HydrophobicContact CG-CD1 4.32Å; K121-F162 HydrophobicContact CG-CE1 3.83Å; K121-F162 HydrophobicContact CG-CZ 4.14Å; I150-F162 HydrophobicContact CB-CB 4.32Å; I150-F162 WeakPolarHBondContact CB-O 3.27Å; I150-F162 PolarHBondContact N-O 3.07Å; I150-F162 PolarHBondContact O-N 3.3Å; E151-F162 HydrophobicContact CB-CD2 4Å; E151-F162 HydrophobicContact CB-CE2 4.31Å; F162-S194 WeakPolarHBondContact CD1-OG 3.31Å; F162-P197 HydrophobicContact CB-CB 4.34Å; F162-P197 HydrophobicContact CB-CG 3.9Å; F162-P197 HydrophobicContact CD1-CB 4.39Å; F162-P197 HydrophobicContact CD1-CG 4.48Å; F162-P197 HydrophobicContact CD2-CB 3.84Å; F162-P197 HydrophobicContact CD2-CG 4.33Å; F162-P197 HydrophobicContact CE2-CB 4.17Å; F162-P197 HydrophobicContact CG-CB 3.95Å; F162-P197 HydrophobicContact CG-CG 4.01Å
163	V	90.3	Very high	90.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.8	171.3	-56.6	0	0	0	0	110.3	F120 I122 F161 T168 A169 L172	F120-V163 HydrophobicContact CB-CG2 4.02Å; F120-V163 PolarHBondContact N-O 3.05Å; F120-V163 PolarHBondContact O-N 2.96Å; F120-V163 VanDerWaalsContact O-N 3.07Å; I122-V163 HydrophobicContact CD1-CB 4.33Å; I122-V163 HydrophobicContact CD1-CG1 4.01Å; I122-V163 HydrophobicContact CD1-CG2 3.64Å; F161-V163 HydrophobicContact CD2-CG1 4.21Å; F161-V163 HydrophobicContact CE2-CG1 3.99Å; V163-T168 HydrophobicContact CB-CG2 4.1Å; V163-T168 HydrophobicContact CG1-CG2 4.09Å; V163-T168 HydrophobicContact CG2-CG2 4.27Å; V163-A169 HydrophobicContact CG2-CB 4.11Å; V163-L172 HydrophobicContact CG1-CD1 3.89Å
164	E	81.3	Confident	90.6	Very high	67 Å²	67	51.1 Å²	51.1	31%	0.313	28%	0.275	S	S	.	.	S	Bend	trans	-95.3	-1.3	-163.9	-169.5	165.7	179.7	0	0	115	K117 N118 W119	K117-E164 HydrophobicContact CB-CG 4.39Å; K117-E164 HydrophobicContact CD-CG 4.42Å; K117-E164 WeakPolarHBondContact CD-OE1 3.38Å; K117-E164 WeakPolarHBondContact CE-OE1 3.22Å; K117-E164 HydrophobicContact CG-CG 4.41Å; K117-E164 IonicContact NZ-OE1 2.65Å; K117-E164 PolarHBondContact NZ-OE1 3.39Å; N118-E164 CarbonylContact O-C 3.6Å; W119-E164 HydrophobicContact CE3-CB 4.47Å; W119-E164 HydrophobicContact CH2-CB 3.54Å; W119-E164 HydrophobicContact CH2-CG 3.61Å; W119-E164 HydrophobicContact CZ2-CB 3.94Å; W119-E164 HydrophobicContact CZ2-CG 3.48Å; W119-E164 VanDerWaalsContact CZ2-CG 3.48Å; W119-E164 HydrophobicContact CZ3-CB 3.9Å; W119-E164 HydrophobicContact CZ3-CG 4.38Å
165	D	84.4	Confident	90.6	Very high	57 Å²	57	47 Å²	47	31%	0.305	26%	0.26	S	S	.	.			trans	-148.9	155	-176.8	76.2	92.6	0	0	0	114	S167 T168 A169	D165-S167 VanDerWaalsContact C-N 3.31Å; D165-S167 PolarHBondContact O-N 2.92Å; D165-S167 WeakPolarHBondContact OD1-CA 3.2Å; D165-S167 VanDerWaalsContact OD1-CB 3.32Å; D165-S167 WeakPolarHBondContact OD1-CB 3.25Å; D165-S167 PolarHBondContact OD1-N 2.9Å; D165-S167 PolarHBondContact OD1-OG 3.3Å; D165-T168 VanDerWaalsContact CG-OG1 3.27Å; D165-T168 PolarHBondContact OD1-N 2.96Å; D165-T168 PolarHBondContact OD1-OG1 3.11Å; D165-T168 WeakPolarHBondContact OD2-CB 3.42Å; D165-T168 PolarHBondContact OD2-OG1 2.76Å; D165-A169 WeakPolarHBondContact O-CB 3.43Å; D165-A169 PolarHBondContact O-N 3.22Å; D165-A169 VanDerWaalsContact O-N 3.12Å
166	A	88.9	Confident	90.8	Very high	46 Å²	46	45.2 Å²	45.2	38%	0.38	25%	0.253	S	S	.	.	H	α-helix	trans	-71	-25.2	-176.3	0	0	0	0	0	113.4	F120 S170	F120-A166 VanDerWaalsContact CE2-CA 3.42Å; F120-A166 HydrophobicContact CE2-CB 3.82Å; F120-A166 HydrophobicContact CZ-CB 3.77Å; A166-S170 VanDerWaalsContact O-CB 3.27Å; A166-S170 WeakPolarHBondContact O-CB 3.46Å; A166-S170 PolarHBondContact O-N 3.23Å; A166-S170 PolarHBondContact O-OG 2.98Å
167	S	89.7	Confident	90.8	Very high	77 Å²	77	45.2 Å²	45.2	54%	0.538	24%	0.244	S	C	.	.	H	α-helix	trans	-72.5	-45.1	-179.2	80	0	0	0	0	110.6	D165 S170 A171	D165-S167 VanDerWaalsContact C-N 3.31Å; D165-S167 PolarHBondContact O-N 2.92Å; D165-S167 WeakPolarHBondContact OD1-CA 3.2Å; D165-S167 VanDerWaalsContact OD1-CB 3.32Å; D165-S167 WeakPolarHBondContact OD1-CB 3.25Å; D165-S167 PolarHBondContact OD1-N 2.9Å; D165-S167 PolarHBondContact OD1-OG 3.3Å; S167-S170 PolarHBondContact O-N 3.4Å; S167-A171 WeakPolarHBondContact O-CB 3.41Å; S167-A171 PolarHBondContact O-N 2.92Å
168	T	90.1	Very high	90.7	Very high	12 Å²	12	47.7 Å²	47.7	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-45	173.5	-59.4	0	0	0	0	110.9	F147 V163 D165 S170 A171 L172	F147-T168 HydrophobicContact CB-CG2 3.43Å; F147-T168 VanDerWaalsContact CB-CG2 3.43Å; V163-T168 HydrophobicContact CB-CG2 4.1Å; V163-T168 HydrophobicContact CG1-CG2 4.09Å; V163-T168 HydrophobicContact CG2-CG2 4.27Å; D165-T168 VanDerWaalsContact CG-OG1 3.27Å; D165-T168 PolarHBondContact OD1-N 2.96Å; D165-T168 PolarHBondContact OD1-OG1 3.11Å; D165-T168 WeakPolarHBondContact OD2-CB 3.42Å; D165-T168 PolarHBondContact OD2-OG1 2.76Å; T168-S170 VanDerWaalsContact C-N 3.31Å; T168-S170 PolarHBondContact O-N 3.25Å; T168-A171 PolarHBondContact O-N 3.33Å; T168-L172 HydrophobicContact CG2-CD1 4.19Å; T168-L172 WeakPolarHBondContact O-CB 3.48Å; T168-L172 WeakPolarHBondContact O-CG 3.19Å; T168-L172 PolarHBondContact O-N 3.1Å
169	A	91.5	Very high	90.4	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-59.2	-42.1	175.2	0	0	0	0	0	111.9	F120 V163 D165 L172 K173 I191	F120-A169 HydrophobicContact CB-CB 3.77Å; F120-A169 HydrophobicContact CD1-CB 3.84Å; F120-A169 HydrophobicContact CD2-CB 3.57Å; F120-A169 HydrophobicContact CE1-CB 4.34Å; F120-A169 HydrophobicContact CE2-CB 4.12Å; F120-A169 HydrophobicContact CG-CB 3.42Å; F120-A169 VanDerWaalsContact CG-CB 3.42Å; F120-A169 HydrophobicContact CZ-CB 4.46Å; V163-A169 HydrophobicContact CG2-CB 4.11Å; D165-A169 WeakPolarHBondContact O-CB 3.43Å; D165-A169 PolarHBondContact O-N 3.22Å; D165-A169 VanDerWaalsContact O-N 3.12Å; A169-L172 PolarHBondContact O-N 2.5Å; A169-K173 WeakPolarHBondContact O-CB 3.38Å; A169-K173 PolarHBondContact O-N 3.47Å; A169-I191 HydrophobicContact CB-CG2 4.13Å; A169-I191 WeakPolarHBondContact O-CD1 3.27Å
170	S	91.6	Very high	90.2	Very high	76 Å²	76	45.9 Å²	45.9	53%	0.531	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-41	176.8	-62.6	0	0	0	0	112.3	A166 S167 T168 L172 K173 A174	A166-S170 VanDerWaalsContact O-CB 3.27Å; A166-S170 WeakPolarHBondContact O-CB 3.46Å; A166-S170 PolarHBondContact O-N 3.23Å; A166-S170 PolarHBondContact O-OG 2.98Å; S167-S170 PolarHBondContact O-N 3.4Å; T168-S170 VanDerWaalsContact C-N 3.31Å; T168-S170 PolarHBondContact O-N 3.25Å; S170-L172 VanDerWaalsContact C-N 3.35Å; S170-L172 PolarHBondContact O-N 3.01Å; S170-K173 WeakPolarHBondContact O-CB 3.48Å; S170-K173 PolarHBondContact O-N 3.41Å; S170-A174 PolarHBondContact O-N 2.93Å
171	A	92	Very high	89.8	Confident	8 Å²	8	46.1 Å²	46.1	7%	0.066	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-42.9	175.3	0	0	0	0	0	111.4	V145 S167 T168 K173 A174 V175	V145-A171 HydrophobicContact CB-CB 3.86Å; V145-A171 HydrophobicContact CG2-CB 3.63Å; S167-A171 WeakPolarHBondContact O-CB 3.41Å; S167-A171 PolarHBondContact O-N 2.92Å; T168-A171 PolarHBondContact O-N 3.33Å; A171-K173 VanDerWaalsContact C-N 3.35Å; A171-K173 PolarHBondContact O-N 2.89Å; A171-A174 WeakPolarHBondContact O-CB 3.34Å; A171-A174 PolarHBondContact O-N 2.98Å; A171-V175 PolarHBondContact O-N 2.99Å
172	L	92.3	Very high	89.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-36.4	174.5	-72.3	172.8	0	0	0	112.3	I122 I139 C143 F147 F161 V163 T168 A169 S170 A174 V175 I191	I122-L172 HydrophobicContact CD1-CD1 4.37Å; I122-L172 HydrophobicContact CG1-CD1 3.89Å; I139-L172 HydrophobicContact CG2-CD2 3.36Å; C143-L172 HydrophobicContact CB-CD2 4.49Å; F147-L172 HydrophobicContact CD1-CD2 3.85Å; F147-L172 HydrophobicContact CD2-CD1 4.32Å; F147-L172 HydrophobicContact CD2-CD2 4.44Å; F147-L172 HydrophobicContact CE1-CD2 3.78Å; F147-L172 HydrophobicContact CE2-CD2 4.37Å; F147-L172 HydrophobicContact CG-CD1 4.37Å; F147-L172 HydrophobicContact CG-CD2 4.2Å; F147-L172 HydrophobicContact CZ-CD2 4.05Å; F161-L172 HydrophobicContact CE2-CD1 4.08Å; F161-L172 HydrophobicContact CZ-CD1 4.36Å; V163-L172 HydrophobicContact CG1-CD1 3.89Å; T168-L172 HydrophobicContact CG2-CD1 4.19Å; T168-L172 WeakPolarHBondContact O-CB 3.48Å; T168-L172 WeakPolarHBondContact O-CG 3.19Å; T168-L172 PolarHBondContact O-N 3.1Å; A169-L172 PolarHBondContact O-N 2.5Å; S170-L172 VanDerWaalsContact C-N 3.35Å; S170-L172 PolarHBondContact O-N 3.01Å; L172-A174 PolarHBondContact O-N 3.24Å; L172-V175 WeakPolarHBondContact O-CB 3.26Å; L172-V175 PolarHBondContact O-N 2.86Å; L172-I191 HydrophobicContact CB-CD1 3.65Å
173	K	92.1	Very high	89.2	Confident	145 Å²	145	62.1 Å²	62.1	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-60.6	-38.9	174.9	-162.4	173.9	179.2	176.8	0	110.8	A169 S170 A171 V175 N176 I191	A169-K173 WeakPolarHBondContact O-CB 3.38Å; A169-K173 PolarHBondContact O-N 3.47Å; S170-K173 WeakPolarHBondContact O-CB 3.48Å; S170-K173 PolarHBondContact O-N 3.41Å; A171-K173 VanDerWaalsContact C-N 3.35Å; A171-K173 PolarHBondContact O-N 2.89Å; K173-V175 PolarHBondContact O-N 2.7Å; K173-N176 WeakPolarHBondContact O-CB 3.23Å; K173-N176 PolarHBondContact O-N 3.48Å; K173-N176 VanDerWaalsContact O-N 3.15Å; K173-I191 HydrophobicContact CB-CD1 3.83Å
174	A	91.7	Very high	89	Confident	51 Å²	51	68.1 Å²	68.1	42%	0.421	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.5	176.8	0	0	0	0	0	113.3	S170 A171 L172 K178	S170-A174 PolarHBondContact O-N 2.93Å; A171-A174 WeakPolarHBondContact O-CB 3.34Å; A171-A174 PolarHBondContact O-N 2.98Å; L172-A174 PolarHBondContact O-N 3.24Å; A174-K178 WeakPolarHBondContact O-CD 3.25Å; A174-K178 WeakPolarHBondContact O-CE 3.24Å; A174-K178 PolarHBondContact O-NZ 2.87Å
175	V	91.5	Very high	89.3	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.012	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.8	174.5	-176.8	0	0	0	0	112.4	I139 K142 C143 A171 L172 K173 Y177 K178 I179 I189	I139-V175 HydrophobicContact CG2-CG1 4.48Å; K142-V175 HydrophobicContact CB-CG1 3.77Å; K142-V175 HydrophobicContact CB-CG2 4.23Å; C143-V175 HydrophobicContact CB-CG2 3.91Å; A171-V175 PolarHBondContact O-N 2.99Å; L172-V175 WeakPolarHBondContact O-CB 3.26Å; L172-V175 PolarHBondContact O-N 2.86Å; K173-V175 PolarHBondContact O-N 2.7Å; V175-Y177 PolarHBondContact O-N 2.95Å; V175-K178 WeakPolarHBondContact O-CB 3.29Å; V175-K178 PolarHBondContact O-N 2.77Å; V175-I179 HydrophobicContact CG1-CD1 3.7Å; V175-I179 HydrophobicContact CG1-CG1 3.99Å; V175-I189 HydrophobicContact CB-CD1 4.06Å; V175-I189 HydrophobicContact CG1-CD1 3.86Å
176	N	92	Very high	89.6	Confident	50 Å²	50	75.2 Å²	75.2	27%	0.267	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	128.4	-179.8	-174.5	31.3	0	0	0	111.4	K173 K178 S188 I189	K173-N176 WeakPolarHBondContact O-CB 3.23Å; K173-N176 PolarHBondContact O-N 3.48Å; K173-N176 VanDerWaalsContact O-N 3.15Å; N176-K178 PolarHBondContact O-N 2.81Å; N176-S188 VanDerWaalsContact OD1-CA 3.3Å; N176-S188 WeakPolarHBondContact OD1-CA 3.38Å; N176-S188 PolarHBondContact OD1-OG 3.38Å; N176-I189 HydrophobicContact CB-CB 4.42Å; N176-I189 PolarHBondContact OD1-N 3.08Å; N176-I189 PolarHBondContact OD1-O 2.94Å
177	Y	89.4	Confident	89.8	Confident	124 Å²	124	73.3 Å²	73.3	49%	0.486	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	9.2	-176.6	-61.1	-65.9	0	0	0	117	V175 R186 I187	V175-Y177 PolarHBondContact O-N 2.95Å; Y177-R186 HydrophobicContact CD1-CB 3.7Å; Y177-R186 HydrophobicContact CG-CB 4.45Å; Y177-R186 WeakPolarHBondContact O-CD 3.3Å; Y177-I187 WeakPolarHBondContact CA-O 3.32Å; Y177-I187 PolarHBondContact N-O 3.37Å
178	K	90	Very high	89.9	Confident	129 Å²	129	70.7 Å²	70.7	56%	0.561	33%	0.331	S	S	*	.			trans	-91.1	-7.5	177.2	-64.7	-171.1	177.8	162	0	114.8	A174 V175 N176	A174-K178 WeakPolarHBondContact O-CD 3.25Å; A174-K178 WeakPolarHBondContact O-CE 3.24Å; A174-K178 PolarHBondContact O-NZ 2.87Å; V175-K178 WeakPolarHBondContact O-CB 3.29Å; V175-K178 PolarHBondContact O-N 2.77Å; N176-K178 PolarHBondContact O-N 2.81Å
179	I	88.6	Confident	90	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.01	33%	0.329	C	S	.	.			trans	-107.9	131.1	179	-55.6	168.3	0	0	0	108.3	M138 I139 K142 V175 R186 I187	M138-I179 HydrophobicContact CB-CD1 4.24Å; M138-I179 HydrophobicContact CB-CG2 3.98Å; M138-I179 HydrophobicContact CE-CG2 3.89Å; I139-I179 HydrophobicContact CB-CD1 4.23Å; I139-I179 HydrophobicContact CG1-CD1 3.59Å; K142-I179 HydrophobicContact CG-CG1 4.12Å; V175-I179 HydrophobicContact CG1-CD1 3.7Å; V175-I179 HydrophobicContact CG1-CG1 3.99Å; I179-R186 CarbonylContact O-C 3.53Å; I179-R186 WeakPolarHBondContact O-CA 3.39Å; I179-I187 HydrophobicContact CB-CB 4.33Å; I179-I187 HydrophobicContact CB-CD1 4.37Å; I179-I187 HydrophobicContact CG2-CD1 3.8Å; I179-I187 HydrophobicContact CG2-CG1 4.37Å; I179-I187 PolarHBondContact O-N 3.43Å
180	L	89.6	Confident	90.1	Very high	89 Å²	89	73.4 Å²	73.4	47%	0.466	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-100.3	135.7	172.8	-66.1	169.1	0	0	0	109.4	N184 R185 R186	L180-N184 WeakPolarHBondContact CD2-O 3.44Å; L180-R185 WeakPolarHBondContact CA-O 3.37Å; L180-R186 HydrophobicContact CD2-CB 4.46Å; L180-R186 HydrophobicContact CD2-CG 3.55Å
181	D	85.8	Confident	90.2	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.043	33%	0.327	C	S	.	.			trans	-77.2	-179.8	170.3	78.4	-1.3	0	0	0	111.7	Y130 E183 N184 R185 I187	Y130-D181 HydrophobicContact CE1-CB 3.7Å; Y130-D181 WeakPolarHBondContact OH-CB 3.49Å; Y130-D181 PolarHBondContact OH-OD2 3.3Å; D181-E183 PolarHBondContact O-N 3.01Å; D181-E183 VanDerWaalsContact OD1-CA 3.29Å; D181-E183 WeakPolarHBondContact OD1-CA 3.4Å; D181-E183 WeakPolarHBondContact OD1-CB 3.42Å; D181-E183 PolarHBondContact OD1-N 3.01Å; D181-N184 PolarHBondContact O-N 3.28Å; D181-N184 VanDerWaalsContact O-N 3.08Å; D181-N184 PolarHBondContact OD1-N 2.87Å; D181-R185 PolarHBondContact N-O 2.81Å; D181-R185 WeakPolarHBondContact OD1-CB 3.29Å; D181-R185 PolarHBondContact OD1-N 2.89Å; D181-R185 IonicContact OD2-CZ 2.73Å; D181-R185 IonicContact OD2-NE 3.64Å; D181-R185 PolarHBondContact OD2-NE 2.87Å; D181-R185 IonicContact OD2-NH2 3.46Å; D181-R185 PolarHBondContact OD2-NH2 3.32Å; D181-I187 HydrophobicContact CB-CG1 4.47Å
182	R	84.3	Confident	90.2	Very high	226 Å²	226	75.3 Å²	75.3	85%	0.853	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.7	178.6	-63	-176.3	-178.6	-174.1	0.1	113.8
183	E	86.7	Confident	90.1	Very high	129 Å²	129	80.2 Å²	80.2	60%	0.603	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	15.8	177.3	-65.9	171.3	-130.7	0	0	111.5	D181 R185	D181-E183 PolarHBondContact O-N 3.01Å; D181-E183 VanDerWaalsContact OD1-CA 3.29Å; D181-E183 WeakPolarHBondContact OD1-CA 3.4Å; D181-E183 WeakPolarHBondContact OD1-CB 3.42Å; D181-E183 PolarHBondContact OD1-N 3.01Å; E183-R185 HydrophobicContact CB-CG 4.4Å; E183-R185 VanDerWaalsContact CD-CZ 3.46Å; E183-R185 PolarHBondContact O-N 3.06Å; E183-R185 IonicContact OE1-CZ 2.89Å; E183-R185 IonicContact OE1-NH1 3.52Å; E183-R185 IonicContact OE1-NH2 3.32Å; E183-R185 PolarHBondContact OE1-NH2 2.82Å; E183-R185 IonicContact OE2-CZ 2.68Å; E183-R185 IonicContact OE2-NE 3.33Å; E183-R185 IonicContact OE2-NH1 2.9Å; E183-R185 PolarHBondContact OE2-NH1 2.87Å; E183-R185 IonicContact OE2-NH2 2.67Å; E183-R185 PolarHBondContact OE2-NH2 2.79Å
184	N	85.1	Confident	89.8	Confident	128 Å²	128	75 Å²	75	68%	0.684	36%	0.363	S	S	*	.	S	Bend	trans	59.2	23.8	-176.5	-71.8	-32.5	0	0	0	115.1	L180 D181	L180-N184 WeakPolarHBondContact CD2-O 3.44Å; D181-N184 PolarHBondContact O-N 3.28Å; D181-N184 VanDerWaalsContact O-N 3.08Å; D181-N184 PolarHBondContact OD1-N 2.87Å
185	R	87.7	Confident	89.3	Confident	97 Å²	97	76 Å²	76	37%	0.366	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-88.3	137.3	172.2	-57.7	-178.8	-63.7	-139.1	-12.2	110.2	L180 D181 E183	L180-R185 WeakPolarHBondContact CA-O 3.37Å; D181-R185 PolarHBondContact N-O 2.81Å; D181-R185 WeakPolarHBondContact OD1-CB 3.29Å; D181-R185 PolarHBondContact OD1-N 2.89Å; D181-R185 IonicContact OD2-CZ 2.73Å; D181-R185 IonicContact OD2-NE 3.64Å; D181-R185 PolarHBondContact OD2-NE 2.87Å; D181-R185 IonicContact OD2-NH2 3.46Å; D181-R185 PolarHBondContact OD2-NH2 3.32Å; E183-R185 HydrophobicContact CB-CG 4.4Å; E183-R185 VanDerWaalsContact CD-CZ 3.46Å; E183-R185 PolarHBondContact O-N 3.06Å; E183-R185 IonicContact OE1-CZ 2.89Å; E183-R185 IonicContact OE1-NH1 3.52Å; E183-R185 IonicContact OE1-NH2 3.32Å; E183-R185 PolarHBondContact OE1-NH2 2.82Å; E183-R185 IonicContact OE2-CZ 2.68Å; E183-R185 IonicContact OE2-NE 3.33Å; E183-R185 IonicContact OE2-NH1 2.9Å; E183-R185 PolarHBondContact OE2-NH1 2.87Å; E183-R185 IonicContact OE2-NH2 2.67Å; E183-R185 PolarHBondContact OE2-NH2 2.79Å
186	R	91.5	Very high	88.5	Confident	176 Å²	176	78.1 Å²	78.1	66%	0.664	39%	0.385	S	S	*	.	B	Isolated β-bridge	trans	-75.6	127	178.1	-64.9	179	178.5	179.5	-1.2	110.4	Y177 I179 L180 S188	Y177-R186 HydrophobicContact CD1-CB 3.7Å; Y177-R186 HydrophobicContact CG-CB 4.45Å; Y177-R186 WeakPolarHBondContact O-CD 3.3Å; I179-R186 CarbonylContact O-C 3.53Å; I179-R186 WeakPolarHBondContact O-CA 3.39Å; L180-R186 HydrophobicContact CD2-CB 4.46Å; L180-R186 HydrophobicContact CD2-CG 3.55Å; R186-S188 PolarHBondContact O-N 2.84Å
187	I	91.8	Very high	87.6	Confident	5 Å²	5	75.9 Å²	75.9	3%	0.026	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-76	124.8	177.1	-59.9	-177.4	0	0	0	109.3	I124 Y130 W134 L135 Y177 I179 D181	I124-I187 HydrophobicContact CG2-CG2 3.69Å; Y130-I187 HydrophobicContact CD2-CD1 4.28Å; Y130-I187 HydrophobicContact CE1-CD1 4.49Å; Y130-I187 HydrophobicContact CE2-CD1 3.8Å; Y130-I187 HydrophobicContact CE2-CG1 4.11Å; W134-I187 HydrophobicContact CH2-CD1 3.98Å; W134-I187 HydrophobicContact CZ3-CD1 4.01Å; L135-I187 HydrophobicContact CD1-CD1 4.14Å; Y177-I187 WeakPolarHBondContact CA-O 3.32Å; Y177-I187 PolarHBondContact N-O 3.37Å; I179-I187 HydrophobicContact CB-CB 4.33Å; I179-I187 HydrophobicContact CB-CD1 4.37Å; I179-I187 HydrophobicContact CG2-CD1 3.8Å; I179-I187 HydrophobicContact CG2-CG1 4.37Å; I179-I187 PolarHBondContact O-N 3.43Å; D181-I187 HydrophobicContact CB-CG1 4.47Å
188	S	92.6	Very high	86.5	Confident	22 Å²	22	76.2 Å²	76.2	15%	0.154	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-86.9	136.6	173.6	-175.9	0	0	0	0	110.7	P125 N176 R186	P125-S188 WeakPolarHBondContact CD-O 3.42Å; N176-S188 VanDerWaalsContact OD1-CA 3.3Å; N176-S188 WeakPolarHBondContact OD1-CA 3.38Å; N176-S188 PolarHBondContact OD1-OG 3.38Å; R186-S188 PolarHBondContact O-N 2.84Å
189	I	93.3	Very high	85	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.021	37%	0.372	C	S	.	.			trans	-122.2	113.8	174.6	-54.8	179.4	0	0	0	107.1	I122 I124 I139 V175 N176 I191	I122-I189 HydrophobicContact CG2-CG2 3.63Å; I124-I189 HydrophobicContact CG1-CG1 4.42Å; I139-I189 HydrophobicContact CD1-CD1 4.28Å; I139-I189 HydrophobicContact CG1-CD1 4.08Å; I139-I189 HydrophobicContact CG2-CD1 4.35Å; V175-I189 HydrophobicContact CB-CD1 4.06Å; V175-I189 HydrophobicContact CG1-CD1 3.86Å; N176-I189 HydrophobicContact CB-CB 4.42Å; N176-I189 PolarHBondContact OD1-N 3.08Å; N176-I189 PolarHBondContact OD1-O 2.94Å; I189-I191 HydrophobicContact CG2-CD1 4.44Å; I189-I191 HydrophobicContact CG2-CG1 4.21Å
190	I	92.8	Very high	83.5	Confident	70 Å²	70	75.2 Å²	75.2	36%	0.359	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	178.9	-57	175.6	0	0	0	108	I122 T123 P125	I122-I190 CarbonylContact C-O 3.25Å; I122-I190 WeakPolarHBondContact CA-O 3.44Å; T123-I190 PolarHBondContact N-O 3.33Å; T123-I190 PolarHBondContact O-N 2.83Å; P125-I190 HydrophobicContact CG-CD1 3.58Å; P125-I190 HydrophobicContact CG-CG1 4.2Å
191	I	93	Very high	81.9	Confident	33 Å²	33	76 Å²	76	17%	0.169	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.6	-177.1	-54.7	-175.1	0	0	0	108.4	F120 K121 I122 A169 L172 K173 I189	F120-I191 HydrophobicContact CB-CG2 3.94Å; F120-I191 HydrophobicContact CD1-CG2 4.16Å; F120-I191 HydrophobicContact CG-CG2 4.42Å; K121-I191 WeakPolarHBondContact O-CA 3.38Å; I122-I191 HydrophobicContact CD1-CG2 4.5Å; I122-I191 HydrophobicContact CG1-CD1 4.47Å; I122-I191 HydrophobicContact CG1-CG1 4.27Å; A169-I191 HydrophobicContact CB-CG2 4.13Å; A169-I191 WeakPolarHBondContact O-CD1 3.27Å; L172-I191 HydrophobicContact CB-CD1 3.65Å; K173-I191 HydrophobicContact CB-CD1 3.83Å; I189-I191 HydrophobicContact CG2-CD1 4.44Å; I189-I191 HydrophobicContact CG2-CG1 4.21Å
192	N	91.7	Very high	80.7	Confident	91 Å²	91	78.3 Å²	78.3	49%	0.487	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.5	177.4	-63.8	-35	0	0	0	108.9	F120 K121 S194	F120-N192 CarbonylContact C-O 3.58Å; F120-N192 WeakPolarHBondContact CA-O 3.21Å; K121-N192 PolarHBondContact N-O 3.08Å; K121-N192 PolarHBondContact O-N 3.29Å; N192-S194 PolarHBondContact O-N 3.29Å
193	S	91.1	Very high	80.1	Confident	103 Å²	103	73.2 Å²	73.2	72%	0.72	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	139.1	164.8	-54.9	0	0	0	0	109.2
194	S	86.7	Confident	79.8	Confident	37 Å²	37	68.5 Å²	68.5	26%	0.259	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	165.6	-179.6	69.3	0	0	0	0	111.3	W119 K121 F162 N192	W119-S194 WeakPolarHBondContact CB-O 3.29Å; W119-S194 PolarHBondContact O-N 3.04Å; K121-S194 PolarHBondContact N-OG 3.23Å; F162-S194 WeakPolarHBondContact CD1-OG 3.31Å; N192-S194 PolarHBondContact O-N 3.29Å
195	A	80.6	Confident	79.8	Confident	71 Å²	71	68.7 Å²	68.7	59%	0.587	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-64.4	162.2	159.9	0	0	0	0	0	110.1
196	P	75.2	Confident	79.9	Confident	47 Å²	47	68.6 Å²	68.6	31%	0.305	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-53.6	141.7	172	-19.4	27.6	0	0	0	111.7	W119 I200 L201	W119-P196 VanDerWaalsContact CD1-CA 3.48Å; W119-P196 VanDerWaalsContact CD1-CG 3.47Å; W119-P196 HydrophobicContact CD2-CB 4.3Å; W119-P196 VanDerWaalsContact CG-CA 3.48Å; W119-P196 HydrophobicContact CG-CB 4.08Å; W119-P196 HydrophobicContact CG-CG 4.29Å; P196-I200 HydrophobicContact CB-CG2 4.4Å; P196-L201 HydrophobicContact CB-CG 4.23Å; P196-L201 VanDerWaalsContact O-CD1 3.22Å; P196-L201 WeakPolarHBondContact O-CD1 3.24Å
197	P	71.9	Confident	79.8	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.019	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-56.5	152.7	175.4	13.1	-20.8	0	0	0	111.2	W119 I150 E151 F162 T199 I200 L201	W119-P197 HydrophobicContact CD2-CG 4.31Å; W119-P197 HydrophobicContact CE3-CG 3.72Å; W119-P197 HydrophobicContact CH2-CG 4.22Å; W119-P197 HydrophobicContact CZ3-CG 3.63Å; I150-P197 HydrophobicContact CG2-CB 4.36Å; I150-P197 HydrophobicContact CG2-CG 3.73Å; E151-P197 HydrophobicContact CB-CB 4.22Å; E151-P197 WeakPolarHBondContact OE2-CB 3.11Å; F162-P197 HydrophobicContact CB-CB 4.34Å; F162-P197 HydrophobicContact CB-CG 3.9Å; F162-P197 HydrophobicContact CD1-CB 4.39Å; F162-P197 HydrophobicContact CD1-CG 4.48Å; F162-P197 HydrophobicContact CD2-CB 3.84Å; F162-P197 HydrophobicContact CD2-CG 4.33Å; F162-P197 HydrophobicContact CE2-CB 4.17Å; F162-P197 HydrophobicContact CG-CB 3.95Å; F162-P197 HydrophobicContact CG-CG 4.01Å; P197-T199 PolarHBondContact O-N 3.33Å; P197-T199 VanDerWaalsContact O-N 3.1Å; P197-I200 HydrophobicContact CG-CD1 3.84Å; P197-I200 HydrophobicContact CG-CG1 4.24Å; P197-I200 PolarHBondContact O-N 2.89Å; P197-L201 PolarHBondContact O-N 3.5Å
198	H	66.1	Low	79.7	Confident	131 Å²	131	68.5 Å²	68.5	61%	0.606	38%	0.377	S	S	*	.	H	α-helix	trans	-60.7	-26.7	-175.2	-69.9	-65	0	0	0	112.1	E151 I200 N202	E151-H198 PolarHBondContact OE2-N 3.15Å; H198-I200 VanDerWaalsContact C-N 3.25Å; H198-I200 PolarHBondContact O-N 3.48Å; H198-N202 WeakPolarHBondContact O-CB 3.44Å; H198-N202 PolarHBondContact O-N 3.35Å; H198-N202 PolarHBondContact O-ND2 3.13Å
199	T	58.3	Low	79.7	Confident	68 Å²	68	68.2 Å²	68.2	42%	0.417	37%	0.374	S	S	.	.	H	α-helix	trans	-62.4	-32.6	174.7	52.8	0	0	0	0	112.8	E151 P197	E151-T199 HydrophobicContact CG-CG2 4.21Å; E151-T199 PolarHBondContact OE2-N 3.05Å; P197-T199 PolarHBondContact O-N 3.33Å; P197-T199 VanDerWaalsContact O-N 3.1Å
200	I	58.5	Low	79.7	Confident	42 Å²	42	73.3 Å²	73.3	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-92.5	-34.2	-174.6	-64.7	178.4	0	0	0	111.8	W119 I150 P196 P197 H198 N202 E203	W119-I200 HydrophobicContact CH2-CD1 2.91Å; W119-I200 HydrophobicContact CH2-CG1 4.39Å; W119-I200 HydrophobicContact CZ2-CD1 3.09Å; W119-I200 HydrophobicContact CZ2-CG1 4.4Å; W119-I200 HydrophobicContact CZ2-CG2 4.3Å; W119-I200 HydrophobicContact CZ3-CD1 3.76Å; I150-I200 HydrophobicContact CD1-CD1 4.45Å; I150-I200 HydrophobicContact CG2-CD1 4.3Å; P196-I200 HydrophobicContact CB-CG2 4.4Å; P197-I200 HydrophobicContact CG-CD1 3.84Å; P197-I200 HydrophobicContact CG-CG1 4.24Å; P197-I200 PolarHBondContact O-N 2.89Å; H198-I200 VanDerWaalsContact C-N 3.25Å; H198-I200 PolarHBondContact O-N 3.48Å; I200-N202 PolarHBondContact O-N 3.49Å; I200-N202 VanDerWaalsContact O-N 3.1Å; I200-E203 PolarHBondContact O-N 3.13Å
201	L	55.6	Low	79.7	Confident	105 Å²	105	73 Å²	73	55%	0.55	40%	0.395	S	S	.	.	H	α-helix	trans	-58.5	-21.1	169.8	-79.6	157.9	0	0	0	112.7	P196 P197	P196-L201 HydrophobicContact CB-CG 4.23Å; P196-L201 VanDerWaalsContact O-CD1 3.22Å; P196-L201 WeakPolarHBondContact O-CD1 3.24Å; P197-L201 PolarHBondContact O-N 3.5Å
202	N	61	Low	79.7	Confident	57 Å²	57	71.5 Å²	71.5	31%	0.305	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	15.8	-176.9	-67.6	-42.9	0	0	0	113.4	H198 I200 R249 S251	H198-N202 WeakPolarHBondContact O-CB 3.44Å; H198-N202 PolarHBondContact O-N 3.35Å; H198-N202 PolarHBondContact O-ND2 3.13Å; I200-N202 PolarHBondContact O-N 3.49Å; I200-N202 VanDerWaalsContact O-N 3.1Å; N202-R249 PolarHBondContact OD1-NH1 3.32Å; N202-S251 PolarHBondContact O-OG 2.93Å
203	E	71.4	Confident	79.9	Confident	119 Å²	119	70.5 Å²	70.5	56%	0.556	38%	0.378	S	S	*	.	S	Bend	trans	-82.8	135.1	168.1	-72.8	-176	-178.4	0	0	110.3	I200 K205	I200-E203 PolarHBondContact O-N 3.13Å; E203-K205 PolarHBondContact O-N 2.97Å
204	L	79.9	Confident	80.1	Confident	29 Å²	29	69.8 Å²	69.8	15%	0.152	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-68.4	130.6	173.7	-66	171.2	0	0	0	108.8	Q208 V209 L212 I243 V245	L204-Q208 HydrophobicContact CB-CB 4.26Å; L204-Q208 HydrophobicContact CD2-CB 4.29Å; L204-V209 HydrophobicContact CB-CG2 3.82Å; L204-L212 HydrophobicContact CD1-CD2 3.89Å; L204-I243 HydrophobicContact CD2-CG2 4.05Å; L204-V245 HydrophobicContact CD1-CG2 4.27Å; L204-V245 HydrophobicContact CD2-CG2 4.18Å
205	K	85.9	Confident	80.6	Confident	133 Å²	133	68.1 Å²	68.1	58%	0.578	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-62.3	153.1	172	-62.9	-177.2	-179.8	179.5	0	110.1	E203 E207 Q208 V209	E203-K205 PolarHBondContact O-N 2.97Å; K205-E207 WeakPolarHBondContact CB-OE2 3.19Å; K205-E207 PolarHBondContact O-N 3.27Å; K205-E207 VanDerWaalsContact O-N 3.14Å; K205-Q208 HydrophobicContact CB-CG 4.15Å; K205-Q208 WeakPolarHBondContact O-CA 3.31Å; K205-Q208 WeakPolarHBondContact O-CB 3.39Å; K205-Q208 PolarHBondContact O-N 3.47Å; K205-V209 PolarHBondContact O-N 3.04Å
206	P	88.1	Confident	81.3	Confident	95 Å²	95	65 Å²	65	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-51.3	-39.8	178.4	-27.7	35.9	0	0	0	113.6	Q208 V209 E210	P206-Q208 VanDerWaalsContact C-N 3.31Å; P206-Q208 PolarHBondContact O-N 3.05Å; P206-V209 WeakPolarHBondContact O-CB 3.16Å; P206-V209 PolarHBondContact O-N 3.2Å; P206-E210 PolarHBondContact O-N 2.82Å; P206-E210 VanDerWaalsContact O-N 3.1Å
207	E	89.5	Confident	82.3	Confident	129 Å²	129	66.6 Å²	66.6	60%	0.603	34%	0.34	S	S	*	.	H	α-helix	trans	-65.2	-36.1	177.5	-56.1	77.8	-165.7	0	0	111.9	K205 V209 E210 Q211	K205-E207 WeakPolarHBondContact CB-OE2 3.19Å; K205-E207 PolarHBondContact O-N 3.27Å; K205-E207 VanDerWaalsContact O-N 3.14Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-E210 PolarHBondContact O-N 3.01Å; E207-Q211 WeakPolarHBondContact O-CG 3.29Å; E207-Q211 PolarHBondContact O-N 3.33Å; E207-Q211 VanDerWaalsContact O-N 3.14Å
208	Q	90.6	Very high	83.5	Confident	50 Å²	50	73 Å²	73	23%	0.234	37%	0.367	C	S	.	.	H	α-helix	trans	-70.9	-31.6	176.1	-62.3	176.5	-41.3	0	0	111.8	L204 K205 P206 Q211 L212 I243	L204-Q208 HydrophobicContact CB-CB 4.26Å; L204-Q208 HydrophobicContact CD2-CB 4.29Å; K205-Q208 HydrophobicContact CB-CG 4.15Å; K205-Q208 WeakPolarHBondContact O-CA 3.31Å; K205-Q208 WeakPolarHBondContact O-CB 3.39Å; K205-Q208 PolarHBondContact O-N 3.47Å; P206-Q208 VanDerWaalsContact C-N 3.31Å; P206-Q208 PolarHBondContact O-N 3.05Å; Q208-Q211 PolarHBondContact O-N 3.26Å; Q208-L212 WeakPolarHBondContact O-CB 3.44Å; Q208-L212 PolarHBondContact O-N 2.66Å; Q208-I243 HydrophobicContact CB-CD1 4.11Å; Q208-I243 HydrophobicContact CB-CG1 4.48Å; Q208-I243 HydrophobicContact CB-CG2 4.01Å; Q208-I243 HydrophobicContact CG-CD1 4.02Å; Q208-I243 HydrophobicContact CG-CG1 4.05Å; Q208-I243 HydrophobicContact CG-CG2 4.21Å
209	V	92.2	Very high	85	Confident	15 Å²	15	69.4 Å²	69.4	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-40.3	174.4	177.1	0	0	0	0	110.8	L204 K205 P206 E207 L212 K213 I259	L204-V209 HydrophobicContact CB-CG2 3.82Å; K205-V209 PolarHBondContact O-N 3.04Å; P206-V209 WeakPolarHBondContact O-CB 3.16Å; P206-V209 PolarHBondContact O-N 3.2Å; E207-V209 VanDerWaalsContact C-N 3.34Å; V209-L212 WeakPolarHBondContact O-CB 3.15Å; V209-L212 PolarHBondContact O-N 2.83Å; V209-K213 WeakPolarHBondContact O-CB 3.18Å; V209-K213 PolarHBondContact O-N 3.32Å; V209-I259 HydrophobicContact CG1-CD1 4.14Å; V209-I259 HydrophobicContact CG1-CG1 4.49Å
210	E	93.2	Very high	86.9	Confident	112 Å²	112	68.7 Å²	68.7	52%	0.523	34%	0.338	S	S	.	.	H	α-helix	trans	-65.7	-38.6	174.5	-70.9	-56.9	138.4	0	0	112.4	P206 E207 K213 L214	P206-E210 PolarHBondContact O-N 2.82Å; P206-E210 VanDerWaalsContact O-N 3.1Å; E207-E210 PolarHBondContact O-N 3.01Å; E210-K213 WeakPolarHBondContact O-CB 3.15Å; E210-K213 PolarHBondContact O-N 3.19Å; E210-L214 PolarHBondContact O-N 2.81Å
211	Q	92.8	Very high	88.7	Confident	64 Å²	64	70.1 Å²	70.1	30%	0.299	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-42.1	173.7	-67.5	-63.6	-29.7	0	0	111.9	E207 Q208 K213 L214 I215 Q241 I243	E207-Q211 WeakPolarHBondContact O-CG 3.29Å; E207-Q211 PolarHBondContact O-N 3.33Å; E207-Q211 VanDerWaalsContact O-N 3.14Å; Q208-Q211 PolarHBondContact O-N 3.26Å; Q211-K213 VanDerWaalsContact C-N 3.29Å; Q211-K213 PolarHBondContact O-N 3.45Å; Q211-L214 PolarHBondContact O-N 3.38Å; Q211-I215 WeakPolarHBondContact O-CD1 3.42Å; Q211-I215 WeakPolarHBondContact O-CG1 3.27Å; Q211-I215 PolarHBondContact O-N 3.27Å; Q211-Q241 VanDerWaalsContact CB-OE1 3.32Å; Q211-Q241 VanDerWaalsContact CD-OE1 3.22Å; Q211-Q241 VanDerWaalsContact OE1-OE1 3.12Å; Q211-I243 HydrophobicContact CB-CD1 3.71Å; Q211-I243 HydrophobicContact CG-CD1 4.17Å
212	L	94.1	Very high	90.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-43	172.1	174.7	59.7	0	0	0	111.2	L204 Q208 V209 L214 I215 M216 L232 V245 I259	L204-L212 HydrophobicContact CD1-CD2 3.89Å; Q208-L212 WeakPolarHBondContact O-CB 3.44Å; Q208-L212 PolarHBondContact O-N 2.66Å; V209-L212 WeakPolarHBondContact O-CB 3.15Å; V209-L212 PolarHBondContact O-N 2.83Å; L212-L214 PolarHBondContact O-N 2.98Å; L212-I215 PolarHBondContact O-N 2.86Å; L212-M216 HydrophobicContact CD1-CG 4.1Å; L212-M216 HydrophobicContact CD1-SD 4.14Å; L212-M216 HydrophobicContact CG-CG 4.43Å; L212-M216 HydrophobicContact CG-SD 4Å; L212-M216 WeakPolarHBondContact O-CB 3.44Å; L212-M216 VanDerWaalsContact O-CG 3.25Å; L212-M216 WeakPolarHBondContact O-CG 3.16Å; L212-M216 PolarHBondContact O-N 3.5Å; L212-L232 HydrophobicContact CD1-CD2 4Å; L212-V245 HydrophobicContact CD1-CG1 4.39Å; L212-V245 HydrophobicContact CD1-CG2 4.35Å; L212-V245 HydrophobicContact CD2-CG1 4.35Å; L212-I259 HydrophobicContact CB-CD1 4.46Å; L212-I259 HydrophobicContact CD2-CD1 3.93Å; L212-I259 HydrophobicContact CG-CD1 3.94Å
213	K	95.3	Very high	92.1	Very high	71 Å²	71	69.2 Å²	69.2	31%	0.309	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-42.3	175.7	175.3	174.2	165.7	169.9	0	112	V209 E210 Q211 M216 S217 I259 N263	V209-K213 WeakPolarHBondContact O-CB 3.18Å; V209-K213 PolarHBondContact O-N 3.32Å; E210-K213 WeakPolarHBondContact O-CB 3.15Å; E210-K213 PolarHBondContact O-N 3.19Å; Q211-K213 VanDerWaalsContact C-N 3.29Å; Q211-K213 PolarHBondContact O-N 3.45Å; K213-M216 PolarHBondContact O-N 3.27Å; K213-S217 PolarHBondContact O-N 2.82Å; K213-I259 HydrophobicContact CB-CD1 4.28Å; K213-I259 HydrophobicContact CB-CG2 4.27Å; K213-I259 HydrophobicContact CG-CG2 4.2Å; K213-N263 WeakPolarHBondContact CE-OD1 3.33Å; K213-N263 PolarHBondContact NZ-OD1 3.39Å
214	L	95.3	Very high	93.3	Very high	88 Å²	88	69.8 Å²	69.8	46%	0.461	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-42.5	176.1	-175.8	64.5	0	0	0	112	E210 Q211 L212 S217 K218	E210-L214 PolarHBondContact O-N 2.81Å; Q211-L214 PolarHBondContact O-N 3.38Å; L212-L214 PolarHBondContact O-N 2.98Å; L214-S217 WeakPolarHBondContact O-CB 3.49Å; L214-S217 PolarHBondContact O-N 3.02Å; L214-K218 PolarHBondContact O-N 3.23Å
215	I	95.9	Very high	94	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-66.4	-42	177.7	-69.5	155.8	0	0	0	111.2	Q211 L212 S217 K218 R219 L232 D237 L238	Q211-I215 WeakPolarHBondContact O-CD1 3.42Å; Q211-I215 WeakPolarHBondContact O-CG1 3.27Å; Q211-I215 PolarHBondContact O-N 3.27Å; L212-I215 PolarHBondContact O-N 2.86Å; I215-S217 VanDerWaalsContact C-N 3.27Å; I215-S217 PolarHBondContact O-N 2.92Å; I215-K218 PolarHBondContact O-N 3.37Å; I215-R219 WeakPolarHBondContact O-CB 3.3Å; I215-R219 PolarHBondContact O-N 2.99Å; I215-L232 HydrophobicContact CG2-CD1 4.43Å; I215-D237 HydrophobicContact CD1-CB 3.95Å; I215-D237 HydrophobicContact CG1-CB 3.9Å; I215-L238 HydrophobicContact CD1-CB 4.47Å; I215-L238 HydrophobicContact CD1-CD2 3.27Å; I215-L238 HydrophobicContact CD1-CG 3.46Å; I215-L238 VanDerWaalsContact CD1-CG 3.46Å
216	M	96.9	Very high	94.6	Very high	6 Å²	6	66.2 Å²	66.2	3%	0.03	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-39	173.6	-71.3	176.7	69.6	0	0	111.4	L212 K213 R219 Y220 L227 L229 T256 I259 I260	L212-M216 HydrophobicContact CD1-CG 4.1Å; L212-M216 HydrophobicContact CD1-SD 4.14Å; L212-M216 HydrophobicContact CG-CG 4.43Å; L212-M216 HydrophobicContact CG-SD 4Å; L212-M216 WeakPolarHBondContact O-CB 3.44Å; L212-M216 VanDerWaalsContact O-CG 3.25Å; L212-M216 WeakPolarHBondContact O-CG 3.16Å; L212-M216 PolarHBondContact O-N 3.5Å; K213-M216 PolarHBondContact O-N 3.27Å; M216-R219 CarbonylContact O-C 3.58Å; M216-R219 PolarHBondContact O-N 3.14Å; M216-Y220 WeakPolarHBondContact O-CB 3.48Å; M216-Y220 PolarHBondContact O-N 2.8Å; M216-L227 HydrophobicContact CB-CD1 4.34Å; M216-L227 HydrophobicContact CE-CD2 3.73Å; M216-L227 VanDerWaalsContact O-CD1 3.25Å; M216-L227 WeakPolarHBondContact O-CD1 3.28Å; M216-L229 HydrophobicContact CE-CD1 4.47Å; M216-L229 HydrophobicContact CG-CD2 3.98Å; M216-T256 HydrophobicContact CE-CG2 3.74Å; M216-T256 HydrophobicContact SD-CG2 4.12Å; M216-I259 HydrophobicContact CE-CB 4.14Å; M216-I259 HydrophobicContact CE-CG2 3.84Å; M216-I259 HydrophobicContact SD-CB 4.04Å; M216-I259 HydrophobicContact SD-CD1 3.81Å; M216-I259 HydrophobicContact SD-CG2 3.73Å; M216-I260 HydrophobicContact CE-CD1 4.32Å; M216-I260 HydrophobicContact CE-CG1 3.77Å
217	S	96.5	Very high	95.1	Very high	80 Å²	80	61.8 Å²	61.8	56%	0.559	32%	0.324	S	S	*	.	H	α-helix	trans	-63.4	-42.1	174.1	-174.8	0	0	0	0	112.3	K213 L214 I215 R219 Y220	K213-S217 PolarHBondContact O-N 2.82Å; L214-S217 WeakPolarHBondContact O-CB 3.49Å; L214-S217 PolarHBondContact O-N 3.02Å; I215-S217 VanDerWaalsContact C-N 3.27Å; I215-S217 PolarHBondContact O-N 2.92Å; S217-R219 VanDerWaalsContact C-N 3.27Å; S217-R219 PolarHBondContact O-N 3.32Å; S217-Y220 PolarHBondContact O-N 2.81Å
218	K	96.3	Very high	95.5	Very high	137 Å²	137	58.8 Å²	58.8	60%	0.596	31%	0.312	S	S	*	.	H	α-helix	trans	-63.3	-33	173.8	-70.7	-177.1	-178	-179.5	0	113.3	L214 I215 Y220 D237	L214-K218 PolarHBondContact O-N 3.23Å; I215-K218 PolarHBondContact O-N 3.37Å; K218-Y220 VanDerWaalsContact C-N 3.31Å; K218-D237 IonicContact NZ-OD2 2.79Å; K218-D237 PolarHBondContact NZ-OD2 3.11Å
219	R	97.3	Very high	95.8	Very high	56 Å²	56	56.4 Å²	56.4	21%	0.211	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.4	179.4	-76.3	171.2	164.3	-98.8	2.4	113.5	I215 M216 S217 L227 D228 K230 D235	I215-R219 WeakPolarHBondContact O-CB 3.3Å; I215-R219 PolarHBondContact O-N 2.99Å; M216-R219 CarbonylContact O-C 3.58Å; M216-R219 PolarHBondContact O-N 3.14Å; S217-R219 VanDerWaalsContact C-N 3.27Å; S217-R219 PolarHBondContact O-N 3.32Å; R219-L227 HydrophobicContact CB-CD1 4.39Å; R219-D228 WeakPolarHBondContact CB-O 3.43Å; R219-D228 VanDerWaalsContact CD-O 3.24Å; R219-D228 WeakPolarHBondContact CD-O 3.26Å; R219-D228 PolarHBondContact NH1-O 2.82Å; R219-D228 PolarHBondContact O-N 3.05Å; R219-K230 PolarHBondContact NH1-O 2.99Å; R219-D235 IonicContact CZ-OD2 3.7Å; R219-D235 IonicContact NE-OD2 3.89Å; R219-D235 PolarHBondContact NE-OD2 3.37Å; R219-D235 IonicContact NH2-OD2 2.9Å; R219-D235 PolarHBondContact NH2-OD2 3.21Å
220	Y	97.6	Very high	96	Very high	52 Å²	52	60.7 Å²	60.7	20%	0.204	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.5	177.5	-179.1	-114.7	0	0	0	110.6	M216 S217 K218 A226 L227 I264 L267	M216-Y220 WeakPolarHBondContact O-CB 3.48Å; M216-Y220 PolarHBondContact O-N 2.8Å; S217-Y220 PolarHBondContact O-N 2.81Å; K218-Y220 VanDerWaalsContact C-N 3.31Å; Y220-A226 WeakPolarHBondContact CD2-O 3.4Å; Y220-L227 HydrophobicContact CD2-CB 4.15Å; Y220-I264 HydrophobicContact CD1-CG2 4.49Å; Y220-I264 HydrophobicContact CD2-CD1 3.98Å; Y220-I264 HydrophobicContact CE1-CG2 4.06Å; Y220-I264 HydrophobicContact CE2-CD1 4.1Å; Y220-I264 HydrophobicContact CE2-CG2 4.42Å; Y220-L267 HydrophobicContact CD2-CD1 4.13Å; Y220-L267 HydrophobicContact CE2-CD1 3.63Å
221	D	96.7	Very high	96.1	Very high	72 Å²	72	55.9 Å²	55.9	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	105.7	170.5	-178.9	-3.9	0	0	0	109.5	S223 Q224 Q225 A226	D221-S223 PolarHBondContact O-N 3.32Å; D221-S223 WeakPolarHBondContact OD1-CB 3.28Å; D221-S223 PolarHBondContact OD1-N 2.88Å; D221-S223 PolarHBondContact OD1-OG 3.29Å; D221-S223 PolarHBondContact OD2-OG 2.72Å; D221-Q224 PolarHBondContact O-N 3.21Å; D221-Q224 WeakPolarHBondContact OD2-CG 3.46Å; D221-Q225 WeakPolarHBondContact O-CA 3.35Å; D221-Q225 PolarHBondContact O-N 2.94Å; D221-A226 PolarHBondContact N-O 3.14Å; D221-A226 PolarHBondContact O-N 3.18Å; D221-A226 VanDerWaalsContact O-N 3.09Å
222	G	94.6	Very high	96.2	Very high	50 Å²	50	52.8 Å²	52.8	52%	0.515	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.6	179.2	0	0	0	0	0	114.3
223	S	94.7	Very high	96	Very high	94 Å²	94	59 Å²	59	66%	0.657	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-35.1	179.3	73	0	0	0	0	112.3	D221	D221-S223 PolarHBondContact O-N 3.32Å; D221-S223 WeakPolarHBondContact OD1-CB 3.28Å; D221-S223 PolarHBondContact OD1-N 2.88Å; D221-S223 PolarHBondContact OD1-OG 3.29Å; D221-S223 PolarHBondContact OD2-OG 2.72Å
224	Q	94.8	Very high	95.9	Very high	130 Å²	130	60 Å²	60	61%	0.607	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-5	177.9	-61.4	-59.4	-39.9	0	0	112.9	D221 A226	D221-Q224 PolarHBondContact O-N 3.21Å; D221-Q224 WeakPolarHBondContact OD2-CG 3.46Å; Q224-A226 HydrophobicContact CB-CB 3.81Å; Q224-A226 PolarHBondContact O-N 3.3Å
225	Q	95.8	Very high	95.8	Very high	64 Å²	64	56.3 Å²	56.3	30%	0.299	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	46.8	-168.8	-61.2	-176.7	-40.1	0	0	110.9	D221 L267 L268 S269	D221-Q225 WeakPolarHBondContact O-CA 3.35Å; D221-Q225 PolarHBondContact O-N 2.94Å; Q225-L267 VanDerWaalsContact O-CD1 3.23Å; Q225-L267 WeakPolarHBondContact O-CD1 3.43Å; Q225-L268 HydrophobicContact CB-CB 4.19Å; Q225-L268 HydrophobicContact CB-CD1 4.46Å; Q225-L268 HydrophobicContact CB-CG 4.16Å; Q225-L268 PolarHBondContact O-N 2.85Å; Q225-L268 VanDerWaalsContact O-N 3.13Å; Q225-S269 PolarHBondContact O-N 2.77Å
226	A	97.8	Very high	95.7	Very high	24 Å²	24	60.8 Å²	60.8	20%	0.198	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.3	-171.6	0	0	0	0	0	111	Y220 D221 Q224 S269	Y220-A226 WeakPolarHBondContact CD2-O 3.4Å; D221-A226 PolarHBondContact N-O 3.14Å; D221-A226 PolarHBondContact O-N 3.18Å; D221-A226 VanDerWaalsContact O-N 3.09Å; Q224-A226 HydrophobicContact CB-CB 3.81Å; Q224-A226 PolarHBondContact O-N 3.3Å; A226-S269 WeakPolarHBondContact CA-O 3.42Å
227	L	98.2	Very high	95.5	Very high	2 Å²	2	63 Å²	63	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119	176.9	177.8	64.2	0	0	0	110.2	M216 R219 Y220 L229 I260 I264 L267 S269 L270 N271	M216-L227 HydrophobicContact CB-CD1 4.34Å; M216-L227 HydrophobicContact CE-CD2 3.73Å; M216-L227 VanDerWaalsContact O-CD1 3.25Å; M216-L227 WeakPolarHBondContact O-CD1 3.28Å; R219-L227 HydrophobicContact CB-CD1 4.39Å; Y220-L227 HydrophobicContact CD2-CB 4.15Å; L227-L229 HydrophobicContact CD1-CD2 4.05Å; L227-L229 HydrophobicContact CD2-CD1 4.08Å; L227-L229 HydrophobicContact CD2-CD2 4.16Å; L227-L229 HydrophobicContact CD2-CG 4.09Å; L227-L229 HydrophobicContact CG-CD2 3.98Å; L227-L229 HydrophobicContact CG-CG 3.97Å; L227-I260 HydrophobicContact CD2-CD1 3.95Å; L227-I260 HydrophobicContact CD2-CG1 3.96Å; L227-I264 HydrophobicContact CD2-CD1 4.16Å; L227-L267 HydrophobicContact CB-CD1 3.71Å; L227-L267 HydrophobicContact CB-CD2 4.09Å; L227-L267 HydrophobicContact CD2-CD2 4.47Å; L227-S269 PolarHBondContact N-O 3.39Å; L227-L270 HydrophobicContact CB-CD1 4.1Å; L227-L270 HydrophobicContact CD2-CD1 3.93Å; L227-L270 HydrophobicContact CG-CD1 4.14Å; L227-N271 PolarHBondContact O-N 2.72Å
228	D	98.1	Very high	95.2	Very high	65 Å²	65	59.2 Å²	59.2	35%	0.348	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	98.6	-179.9	-170.4	8	0	0	0	113.6	R219 K230 N271	R219-D228 WeakPolarHBondContact CB-O 3.43Å; R219-D228 VanDerWaalsContact CD-O 3.24Å; R219-D228 WeakPolarHBondContact CD-O 3.26Å; R219-D228 PolarHBondContact NH1-O 2.82Å; R219-D228 PolarHBondContact O-N 3.05Å; D228-K230 WeakPolarHBondContact OD1-CB 3.2Å; D228-K230 PolarHBondContact OD1-N 3.47Å; D228-N271 PolarHBondContact OD1-ND2 3.28Å; D228-N271 VanDerWaalsContact OD1-ND2 3.08Å
229	L	97.6	Very high	94.9	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	32%	0.318	C	S	.	.			trans	-101.9	24	174	-53.3	-177.6	0	0	0	112.6	M216 L227 G231 L232 L247 T256 L270 N271 L272 N275	M216-L229 HydrophobicContact CE-CD1 4.47Å; M216-L229 HydrophobicContact CG-CD2 3.98Å; L227-L229 HydrophobicContact CD1-CD2 4.05Å; L227-L229 HydrophobicContact CD2-CD1 4.08Å; L227-L229 HydrophobicContact CD2-CD2 4.16Å; L227-L229 HydrophobicContact CD2-CG 4.09Å; L227-L229 HydrophobicContact CG-CD2 3.98Å; L227-L229 HydrophobicContact CG-CG 3.97Å; L229-G231 PolarHBondContact O-N 2.86Å; L229-L232 HydrophobicContact CD2-CD1 4.38Å; L229-L232 PolarHBondContact O-N 3.5Å; L229-L247 HydrophobicContact CB-CD1 4.37Å; L229-T256 HydrophobicContact CD1-CG2 3.58Å; L229-L270 HydrophobicContact CD1-CD1 4.09Å; L229-L270 HydrophobicContact CG-CD1 4.32Å; L229-N271 CarbonylContact C-O 3.44Å; L229-N271 VanDerWaalsContact CA-O 3.27Å; L229-N271 WeakPolarHBondContact CA-O 3.46Å; L229-N271 VanDerWaalsContact CB-O 3.32Å; L229-N271 WeakPolarHBondContact CB-O 3.46Å; L229-N271 PolarHBondContact N-O 3.21Å; L229-L272 HydrophobicContact CB-CD2 4.04Å; L229-L272 HydrophobicContact CD1-CD2 3.99Å; L229-N275 PolarHBondContact O-ND2 2.88Å; L229-N275 PolarHBondContact O-OD1 2.84Å
230	K	97.2	Very high	94.5	Very high	105 Å²	105	58.7 Å²	58.7	46%	0.457	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	125.9	175.5	177	176.5	179.6	179.4	0	111.3	R219 D228 L232 S273 N274	R219-K230 PolarHBondContact NH1-O 2.99Å; D228-K230 WeakPolarHBondContact OD1-CB 3.2Å; D228-K230 PolarHBondContact OD1-N 3.47Å; K230-L232 VanDerWaalsContact C-N 3.26Å; K230-L232 PolarHBondContact O-N 2.92Å; K230-S273 WeakPolarHBondContact CA-O 3.36Å; K230-S273 WeakPolarHBondContact CG-OG 3.45Å; K230-N274 WeakPolarHBondContact CE-OD1 3.49Å
231	G	94.8	Very high	94	Very high	10 Å²	10	60.1 Å²	60.1	10%	0.103	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	42.7	174.2	0	0	0	0	0	113.7	L229 R233 S234 S273	L229-G231 PolarHBondContact O-N 2.86Å; G231-R233 PolarHBondContact O-N 3.49Å; G231-S234 PolarHBondContact O-N 3.41Å; G231-S234 PolarHBondContact O-OG 3.38Å; G231-S273 PolarHBondContact N-O 3.31Å
232	L	94.8	Very high	93.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-52.2	-36.6	-167.3	-175.2	63.7	0	0	0	113.2	L212 I215 L229 K230 S234 D235 L238 V245 L247 N275	L212-L232 HydrophobicContact CD1-CD2 4Å; I215-L232 HydrophobicContact CG2-CD1 4.43Å; L229-L232 HydrophobicContact CD2-CD1 4.38Å; L229-L232 PolarHBondContact O-N 3.5Å; K230-L232 VanDerWaalsContact C-N 3.26Å; K230-L232 PolarHBondContact O-N 2.92Å; L232-S234 PolarHBondContact O-N 3.33Å; L232-S234 VanDerWaalsContact O-N 3.15Å; L232-D235 WeakPolarHBondContact O-CB 3.5Å; L232-D235 PolarHBondContact O-N 3.43Å; L232-L238 HydrophobicContact CD1-CD1 3.97Å; L232-L238 HydrophobicContact CG-CD1 3.91Å; L232-L238 WeakPolarHBondContact O-CD1 3.36Å; L232-V245 HydrophobicContact CD2-CB 4.37Å; L232-V245 HydrophobicContact CD2-CG1 3.77Å; L232-L247 HydrophobicContact CB-CD1 4.11Å; L232-L247 HydrophobicContact CB-CG 4.43Å; L232-L247 HydrophobicContact CD2-CD1 3.9Å; L232-L247 HydrophobicContact CD2-CD2 3.86Å; L232-L247 HydrophobicContact CD2-CG 3.91Å; L232-N275 PolarHBondContact N-OD1 2.71Å; L232-N275 VanDerWaalsContact N-OD1 3.07Å
233	R	90.6	Very high	93.1	Very high	131 Å²	131	61.9 Å²	61.9	49%	0.494	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-57.2	-29.4	177.7	-168.6	179.3	-171.6	177.8	6	114.1	G231 D235 D244	G231-R233 PolarHBondContact O-N 3.49Å; R233-D235 VanDerWaalsContact C-N 3.34Å; R233-D244 WeakPolarHBondContact CG-OD1 3.28Å; R233-D244 IonicContact CZ-OD1 3.42Å; R233-D244 IonicContact CZ-OD2 3.01Å; R233-D244 IonicContact NE-OD1 3.86Å; R233-D244 PolarHBondContact NE-OD1 3.14Å; R233-D244 IonicContact NE-OD2 3.24Å; R233-D244 IonicContact NH2-OD1 3.81Å; R233-D244 PolarHBondContact NH2-OD1 3.37Å; R233-D244 IonicContact NH2-OD2 3.68Å; R233-D244 PolarHBondContact NH2-OD2 2.84Å
234	S	92.1	Very high	92.6	Very high	90 Å²	90	60.7 Å²	60.7	63%	0.629	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-91.1	6.2	-179.1	62.5	0	0	0	0	113.8	G231 L232	G231-S234 PolarHBondContact O-N 3.41Å; G231-S234 PolarHBondContact O-OG 3.38Å; L232-S234 PolarHBondContact O-N 3.33Å; L232-S234 VanDerWaalsContact O-N 3.15Å
235	D	93.9	Very high	92.4	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.064	31%	0.305	C	S	.	.			trans	-61.4	127.1	178	-172.5	-80.4	0	0	0	111.4	R219 L232 R233 D237 L238 V239	R219-D235 IonicContact CZ-OD2 3.7Å; R219-D235 IonicContact NE-OD2 3.89Å; R219-D235 PolarHBondContact NE-OD2 3.37Å; R219-D235 IonicContact NH2-OD2 2.9Å; R219-D235 PolarHBondContact NH2-OD2 3.21Å; L232-D235 WeakPolarHBondContact O-CB 3.5Å; L232-D235 PolarHBondContact O-N 3.43Å; R233-D235 VanDerWaalsContact C-N 3.34Å; D235-D237 VanDerWaalsContact C-N 3.28Å; D235-D237 PolarHBondContact O-N 2.92Å; D235-D237 WeakPolarHBondContact OD1-CB 3.1Å; D235-D237 PolarHBondContact OD1-N 2.71Å; D235-L238 HydrophobicContact CB-CB 4.2Å; D235-L238 HydrophobicContact CB-CD1 4.07Å; D235-L238 HydrophobicContact CB-CG 4.17Å; D235-L238 PolarHBondContact O-N 3.06Å; D235-L238 PolarHBondContact OD1-N 3.18Å; D235-V239 WeakPolarHBondContact O-CG2 3.33Å; D235-V239 PolarHBondContact O-N 2.89Å
236	P	93.2	Very high	92.1	Very high	95 Å²	95	52.1 Å²	52.1	62%	0.617	30%	0.295	S	S	*	.	H	α-helix	trans	-58.2	-35.1	-177.7	-26.2	34.9	0	0	0	114.3	V239 A240	P236-V239 PolarHBondContact O-N 3.28Å; P236-A240 WeakPolarHBondContact O-CB 3.45Å; P236-A240 PolarHBondContact O-N 3.17Å
237	D	92.5	Very high	91.9	Very high	54 Å²	54	51.1 Å²	51.1	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-71	-39.7	-179.3	-69.6	-14	0	0	0	110.4	I215 K218 D235 Q241	I215-D237 HydrophobicContact CD1-CB 3.95Å; I215-D237 HydrophobicContact CG1-CB 3.9Å; K218-D237 IonicContact NZ-OD2 2.79Å; K218-D237 PolarHBondContact NZ-OD2 3.11Å; D235-D237 VanDerWaalsContact C-N 3.28Å; D235-D237 PolarHBondContact O-N 2.92Å; D235-D237 WeakPolarHBondContact OD1-CB 3.1Å; D235-D237 PolarHBondContact OD1-N 2.71Å; D237-Q241 WeakPolarHBondContact O-CB 3.42Å; D237-Q241 VanDerWaalsContact O-CG 3.27Å; D237-Q241 WeakPolarHBondContact O-CG 3.26Å; D237-Q241 PolarHBondContact O-N 3.41Å; D237-Q241 VanDerWaalsContact O-N 3.14Å
238	L	90.5	Very high	91.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-44.1	174.6	-73.7	179.1	0	0	0	111.8	I215 L232 D235 Q241 N242 I243 V245	I215-L238 HydrophobicContact CD1-CB 4.47Å; I215-L238 HydrophobicContact CD1-CD2 3.27Å; I215-L238 HydrophobicContact CD1-CG 3.46Å; I215-L238 VanDerWaalsContact CD1-CG 3.46Å; L232-L238 HydrophobicContact CD1-CD1 3.97Å; L232-L238 HydrophobicContact CG-CD1 3.91Å; L232-L238 WeakPolarHBondContact O-CD1 3.36Å; D235-L238 HydrophobicContact CB-CB 4.2Å; D235-L238 HydrophobicContact CB-CD1 4.07Å; D235-L238 HydrophobicContact CB-CG 4.17Å; D235-L238 PolarHBondContact O-N 3.06Å; D235-L238 PolarHBondContact OD1-N 3.18Å; L238-Q241 PolarHBondContact O-N 3.19Å; L238-N242 PolarHBondContact O-N 3.14Å; L238-N242 VanDerWaalsContact O-N 3.16Å; L238-I243 HydrophobicContact CD2-CB 3.92Å; L238-I243 HydrophobicContact CD2-CG2 3.92Å; L238-I243 PolarHBondContact O-N 3.3Å; L238-V245 HydrophobicContact CD1-CB 3.99Å; L238-V245 HydrophobicContact CD1-CG2 3.79Å; L238-V245 HydrophobicContact CD2-CG2 3.82Å; L238-V245 HydrophobicContact CG-CG2 4.47Å
239	V	89.1	Confident	90.9	Very high	95 Å²	95	53.5 Å²	53.5	58%	0.576	29%	0.293	S	S	*	.	H	α-helix	trans	-64.8	-44.5	178.2	174.8	0	0	0	0	111	D235 P236 Q241 N242	D235-V239 WeakPolarHBondContact O-CG2 3.33Å; D235-V239 PolarHBondContact O-N 2.89Å; P236-V239 PolarHBondContact O-N 3.28Å; V239-Q241 VanDerWaalsContact C-N 3.26Å; V239-Q241 PolarHBondContact O-N 3.45Å; V239-N242 PolarHBondContact O-N 2.78Å
240	A	89.7	Confident	90.5	Very high	87 Å²	87	59.8 Å²	59.8	72%	0.719	32%	0.316	S	S	*	.	H	α-helix	trans	-61.8	-34.1	178.9	0	0	0	0	0	112.7	P236 N242	P236-A240 WeakPolarHBondContact O-CB 3.45Å; P236-A240 PolarHBondContact O-N 3.17Å; A240-N242 VanDerWaalsContact C-N 3.32Å
241	Q	87.5	Confident	90.1	Very high	81 Å²	81	56.5 Å²	56.5	38%	0.379	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.6	177.6	-63.9	-176.7	27.3	0	0	113.8	Q211 D237 L238 V239 I243	Q211-Q241 VanDerWaalsContact CB-OE1 3.32Å; Q211-Q241 VanDerWaalsContact CD-OE1 3.22Å; Q211-Q241 VanDerWaalsContact OE1-OE1 3.12Å; D237-Q241 WeakPolarHBondContact O-CB 3.42Å; D237-Q241 VanDerWaalsContact O-CG 3.27Å; D237-Q241 WeakPolarHBondContact O-CG 3.26Å; D237-Q241 PolarHBondContact O-N 3.41Å; D237-Q241 VanDerWaalsContact O-N 3.14Å; L238-Q241 PolarHBondContact O-N 3.19Å; V239-Q241 VanDerWaalsContact C-N 3.26Å; V239-Q241 PolarHBondContact O-N 3.45Å; Q241-I243 VanDerWaalsContact C-N 3.26Å; Q241-I243 HydrophobicContact CB-CD1 3.85Å; Q241-I243 HydrophobicContact CB-CG1 3.85Å; Q241-I243 PolarHBondContact O-N 3.38Å
242	N	84.3	Confident	89.9	Confident	147 Å²	147	56.1 Å²	56.1	79%	0.786	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	38.9	-176.2	-159	25.7	0	0	0	112.9	L238 V239 A240	L238-N242 PolarHBondContact O-N 3.14Å; L238-N242 VanDerWaalsContact O-N 3.16Å; V239-N242 PolarHBondContact O-N 2.78Å; A240-N242 VanDerWaalsContact C-N 3.32Å
243	I	87.1	Confident	89.9	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.062	30%	0.303	C	S	.	.			trans	-105	109	177.5	-54.8	177.8	0	0	0	108.9	L204 Q208 Q211 L238 Q241 V245	L204-I243 HydrophobicContact CD2-CG2 4.05Å; Q208-I243 HydrophobicContact CB-CD1 4.11Å; Q208-I243 HydrophobicContact CB-CG1 4.48Å; Q208-I243 HydrophobicContact CB-CG2 4.01Å; Q208-I243 HydrophobicContact CG-CD1 4.02Å; Q208-I243 HydrophobicContact CG-CG1 4.05Å; Q208-I243 HydrophobicContact CG-CG2 4.21Å; Q211-I243 HydrophobicContact CB-CD1 3.71Å; Q211-I243 HydrophobicContact CG-CD1 4.17Å; L238-I243 HydrophobicContact CD2-CB 3.92Å; L238-I243 HydrophobicContact CD2-CG2 3.92Å; L238-I243 PolarHBondContact O-N 3.3Å; Q241-I243 VanDerWaalsContact C-N 3.26Å; Q241-I243 HydrophobicContact CB-CD1 3.85Å; Q241-I243 HydrophobicContact CB-CG1 3.85Å; Q241-I243 PolarHBondContact O-N 3.38Å; I243-V245 HydrophobicContact CG2-CG2 3.82Å; I243-V245 PolarHBondContact O-N 3.4Å
244	D	85.3	Confident	90	Very high	70 Å²	70	52.4 Å²	52.4	37%	0.374	30%	0.299	S	S	.	.			trans	-90.9	93.4	178.8	-169.3	31.6	0	0	0	111.5	R233	R233-D244 WeakPolarHBondContact CG-OD1 3.28Å; R233-D244 IonicContact CZ-OD1 3.42Å; R233-D244 IonicContact CZ-OD2 3.01Å; R233-D244 IonicContact NE-OD1 3.86Å; R233-D244 PolarHBondContact NE-OD1 3.14Å; R233-D244 IonicContact NE-OD2 3.24Å; R233-D244 IonicContact NH2-OD1 3.81Å; R233-D244 PolarHBondContact NH2-OD1 3.37Å; R233-D244 IonicContact NH2-OD2 3.68Å; R233-D244 PolarHBondContact NH2-OD2 2.84Å
245	V	90.2	Very high	90.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.			trans	-92.3	112.5	176.6	-173.6	0	0	0	0	110.2	L204 L212 L232 L238 I243 L247 C252	L204-V245 HydrophobicContact CD1-CG2 4.27Å; L204-V245 HydrophobicContact CD2-CG2 4.18Å; L212-V245 HydrophobicContact CD1-CG1 4.39Å; L212-V245 HydrophobicContact CD1-CG2 4.35Å; L212-V245 HydrophobicContact CD2-CG1 4.35Å; L232-V245 HydrophobicContact CD2-CB 4.37Å; L232-V245 HydrophobicContact CD2-CG1 3.77Å; L238-V245 HydrophobicContact CD1-CB 3.99Å; L238-V245 HydrophobicContact CD1-CG2 3.79Å; L238-V245 HydrophobicContact CD2-CG2 3.82Å; L238-V245 HydrophobicContact CG-CG2 4.47Å; I243-V245 HydrophobicContact CG2-CG2 3.82Å; I243-V245 PolarHBondContact O-N 3.4Å; V245-L247 HydrophobicContact CG1-CD2 4.25Å; V245-C252 HydrophobicContact CG1-CB 4.25Å
246	V	90.1	Very high	90.2	Very high	13 Å²	13	48.3 Å²	48.3	8%	0.079	27%	0.272	C	S	.	.			trans	-114.3	97.7	-177.9	-170.4	0	0	0	0	110	N248 R249 C252	V246-N248 WeakPolarHBondContact CG1-OD1 3.37Å; V246-N248 PolarHBondContact O-N 3.47Å; V246-N248 VanDerWaalsContact O-N 3.13Å; V246-R249 HydrophobicContact CB-CG 4.09Å; V246-R249 HydrophobicContact CG1-CG 4.14Å; V246-R249 WeakPolarHBondContact O-CB 3.37Å; V246-R249 PolarHBondContact O-N 3.23Å; V246-C252 VanDerWaalsContact O-CB 3.28Å; V246-C252 WeakPolarHBondContact O-CB 3.27Å
247	L	92.7	Very high	90.3	Very high	3 Å²	3	44 Å²	44	2%	0.016	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.6	-173.7	-69	-174.3	0	0	0	114.8	L229 L232 V245 R249 M253 T256 L272 N275 L277	L229-L247 HydrophobicContact CB-CD1 4.37Å; L232-L247 HydrophobicContact CB-CD1 4.11Å; L232-L247 HydrophobicContact CB-CG 4.43Å; L232-L247 HydrophobicContact CD2-CD1 3.9Å; L232-L247 HydrophobicContact CD2-CD2 3.86Å; L232-L247 HydrophobicContact CD2-CG 3.91Å; V245-L247 HydrophobicContact CG1-CD2 4.25Å; L247-R249 PolarHBondContact O-N 3.44Å; L247-M253 HydrophobicContact CB-CE 4.11Å; L247-M253 WeakPolarHBondContact O-CE 3.49Å; L247-T256 HydrophobicContact CD2-CG2 4.37Å; L247-T256 WeakPolarHBondContact CD2-OG1 3.15Å; L247-L272 HydrophobicContact CD1-CD2 3.79Å; L247-N275 HydrophobicContact CB-CB 4.36Å; L247-N275 HydrophobicContact CD1-CB 4.4Å; L247-L277 HydrophobicContact CB-CD2 4.21Å
248	N	88.5	Confident	90.4	Very high	34 Å²	34	46.4 Å²	46.4	18%	0.182	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	0.9	172.9	74.7	19.8	0	0	0	114	V246 R276 L277 Y278	V246-N248 WeakPolarHBondContact CG1-OD1 3.37Å; V246-N248 PolarHBondContact O-N 3.47Å; V246-N248 VanDerWaalsContact O-N 3.13Å; N248-R276 WeakPolarHBondContact CB-O 3.18Å; N248-R276 PolarHBondContact ND2-O 3.26Å; N248-R276 VanDerWaalsContact ND2-O 3.1Å; N248-L277 HydrophobicContact CB-CD2 4.02Å; N248-Y278 HydrophobicContact CB-CD1 4.03Å; N248-Y278 HydrophobicContact CB-CE1 3.69Å; N248-Y278 PolarHBondContact O-OH 3.16Å
249	R	87.8	Confident	90.7	Very high	83 Å²	83	46.7 Å²	46.7	31%	0.313	25%	0.25	S	S	.	.	S	Bend	trans	-98.8	133.6	171	-60.9	-178.8	178.8	179	-7.2	110.1	N202 V246 L247 S251 C252 M253	N202-R249 PolarHBondContact OD1-NH1 3.32Å; V246-R249 HydrophobicContact CB-CG 4.09Å; V246-R249 HydrophobicContact CG1-CG 4.14Å; V246-R249 WeakPolarHBondContact O-CB 3.37Å; V246-R249 PolarHBondContact O-N 3.23Å; L247-R249 PolarHBondContact O-N 3.44Å; R249-S251 VanDerWaalsContact C-N 3.31Å; R249-S251 PolarHBondContact O-N 3.27Å; R249-C252 PolarHBondContact O-N 3.2Å; R249-M253 PolarHBondContact O-N 2.93Å
250	R	88.1	Confident	91	Very high	134 Å²	134	42.3 Å²	42.3	51%	0.506	22%	0.223	S	C	.	.	H	α-helix	trans	-51.2	-43.7	178.9	-176	178.6	-66.8	-98.2	-7.2	113.9	M253 A254 D281 D282	R250-M253 PolarHBondContact O-N 3.44Å; R250-A254 WeakPolarHBondContact O-CB 3.42Å; R250-A254 PolarHBondContact O-N 3.27Å; R250-D281 IonicContact NH2-OD2 2.89Å; R250-D281 PolarHBondContact NH2-OD2 3.11Å; R250-D281 VanDerWaalsContact NH2-OD2 3.15Å; R250-D282 HydrophobicContact CB-CB 4.42Å; R250-D282 WeakPolarHBondContact CB-OD1 3.49Å; R250-D282 IonicContact CZ-OD1 3.25Å; R250-D282 IonicContact NE-OD1 3.39Å; R250-D282 PolarHBondContact NE-OD1 3.09Å; R250-D282 IonicContact NH1-OD1 3.02Å; R250-D282 IonicContact NH2-OD1 3.52Å; R250-D282 PolarHBondContact NH2-OD1 3.46Å
251	S	88.3	Confident	91.4	Very high	36 Å²	36	42.3 Å²	42.3	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-61.3	-49.2	-178.4	52.6	0	0	0	0	111.7	N202 R249 A254 A255	N202-S251 PolarHBondContact O-OG 2.93Å; R249-S251 VanDerWaalsContact C-N 3.31Å; R249-S251 PolarHBondContact O-N 3.27Å; S251-A254 PolarHBondContact O-N 3.49Å; S251-A255 WeakPolarHBondContact O-CB 3.41Å; S251-A255 PolarHBondContact O-N 2.67Å
252	C	91.9	Very high	91.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-48.2	178	-65.5	0	0	0	0	111	V245 V246 R249 A254 A255 T256	V245-C252 HydrophobicContact CG1-CB 4.25Å; V246-C252 VanDerWaalsContact O-CB 3.28Å; V246-C252 WeakPolarHBondContact O-CB 3.27Å; R249-C252 PolarHBondContact O-N 3.2Å; C252-A254 PolarHBondContact O-N 2.95Å; C252-A255 PolarHBondContact O-N 3.05Å; C252-T256 PolarHBondContact O-N 2.89Å; C252-T256 PolarHBondContact O-OG1 2.8Å; C252-T256 VanDerWaalsContact O-OG1 3.04Å
253	M	94.3	Very high	92.3	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.02	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-44.1	177.9	-176.2	58	73.1	0	0	112.1	L247 R249 R250 A255 T256 L257 L277 D282 M283	L247-M253 HydrophobicContact CB-CE 4.11Å; L247-M253 WeakPolarHBondContact O-CE 3.49Å; R249-M253 PolarHBondContact O-N 2.93Å; R250-M253 PolarHBondContact O-N 3.44Å; M253-A255 VanDerWaalsContact C-N 3.34Å; M253-A255 PolarHBondContact O-N 2.69Å; M253-T256 PolarHBondContact O-N 2.76Å; M253-L257 HydrophobicContact CG-CD1 4Å; M253-L257 HydrophobicContact CG-CG 4.38Å; M253-L257 WeakPolarHBondContact O-CB 3.43Å; M253-L257 VanDerWaalsContact O-CG 3.3Å; M253-L257 WeakPolarHBondContact O-CG 3.33Å; M253-L257 PolarHBondContact O-N 3.39Å; M253-L257 HydrophobicContact SD-CD1 4.14Å; M253-L257 HydrophobicContact SD-CG 4.05Å; M253-L277 HydrophobicContact CE-CD1 4.45Å; M253-L277 HydrophobicContact CE-CD2 4.02Å; M253-D282 HydrophobicContact CB-CB 4.44Å; M253-D282 HydrophobicContact CG-CB 4.38Å; M253-D282 WeakPolarHBondContact CG-O 3.35Å; M253-M283 HydrophobicContact CE-CB 4.36Å; M253-M283 HydrophobicContact CG-CB 3.93Å; M253-M283 HydrophobicContact SD-CB 3.88Å
254	A	92.7	Very high	92.7	Very high	48 Å²	48	40.2 Å²	40.2	40%	0.397	20%	0.196	S	C	.	.	H	α-helix	trans	-63.1	-40.5	177.6	0	0	0	0	0	112.1	R250 S251 C252 R258	R250-A254 WeakPolarHBondContact O-CB 3.42Å; R250-A254 PolarHBondContact O-N 3.27Å; S251-A254 PolarHBondContact O-N 3.49Å; C252-A254 PolarHBondContact O-N 2.95Å; A254-R258 VanDerWaalsContact O-CB 3.31Å; A254-R258 WeakPolarHBondContact O-CB 3.43Å; A254-R258 PolarHBondContact O-N 3.23Å
255	A	93.8	Very high	93	Very high	15 Å²	15	39.8 Å²	39.8	12%	0.124	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-47.6	174.6	0	0	0	0	0	111.5	S251 C252 M253 L257 R258 I259	S251-A255 WeakPolarHBondContact O-CB 3.41Å; S251-A255 PolarHBondContact O-N 2.67Å; C252-A255 PolarHBondContact O-N 3.05Å; M253-A255 VanDerWaalsContact C-N 3.34Å; M253-A255 PolarHBondContact O-N 2.69Å; A255-L257 PolarHBondContact O-N 3.15Å; A255-R258 PolarHBondContact O-N 2.74Å; A255-I259 WeakPolarHBondContact O-CG1 3.37Å; A255-I259 PolarHBondContact O-N 2.62Å
256	T	95.9	Very high	93.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-47.4	176.8	-59.8	0	0	0	0	111.9	M216 L229 L247 C252 M253 R258 I259 I260	M216-T256 HydrophobicContact CE-CG2 3.74Å; M216-T256 HydrophobicContact SD-CG2 4.12Å; L229-T256 HydrophobicContact CD1-CG2 3.58Å; L247-T256 HydrophobicContact CD2-CG2 4.37Å; L247-T256 WeakPolarHBondContact CD2-OG1 3.15Å; C252-T256 PolarHBondContact O-N 2.89Å; C252-T256 PolarHBondContact O-OG1 2.8Å; C252-T256 VanDerWaalsContact O-OG1 3.04Å; M253-T256 PolarHBondContact O-N 2.76Å; T256-R258 VanDerWaalsContact C-N 3.33Å; T256-R258 PolarHBondContact O-N 2.87Å; T256-I259 WeakPolarHBondContact O-CB 3.37Å; T256-I259 PolarHBondContact O-N 3.34Å; T256-I260 HydrophobicContact CG2-CD1 4.44Å; T256-I260 WeakPolarHBondContact O-CG1 3.45Å; T256-I260 PolarHBondContact O-N 3.4Å
257	L	96	Very high	93.4	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-34.7	179.1	-68.7	175.6	0	0	0	112.3	M253 A255 I260 E261 M283 I286 K289	M253-L257 HydrophobicContact CG-CD1 4Å; M253-L257 HydrophobicContact CG-CG 4.38Å; M253-L257 WeakPolarHBondContact O-CB 3.43Å; M253-L257 VanDerWaalsContact O-CG 3.3Å; M253-L257 WeakPolarHBondContact O-CG 3.33Å; M253-L257 PolarHBondContact O-N 3.39Å; M253-L257 HydrophobicContact SD-CD1 4.14Å; M253-L257 HydrophobicContact SD-CG 4.05Å; A255-L257 PolarHBondContact O-N 3.15Å; L257-I260 HydrophobicContact CD2-CD1 4.39Å; L257-I260 PolarHBondContact O-N 2.93Å; L257-E261 PolarHBondContact O-N 3.35Å; L257-M283 HydrophobicContact CD1-CB 4.06Å; L257-I286 HydrophobicContact CD2-CB 4.11Å; L257-I286 HydrophobicContact CD2-CD1 4.13Å; L257-I286 HydrophobicContact CD2-CG1 4.02Å; L257-K289 HydrophobicContact CB-CD 3.59Å
258	R	95.3	Very high	93.6	Very high	105 Å²	105	45.3 Å²	45.3	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-41	172.7	-174.5	176.5	71.5	96.4	-2.4	111.6	A254 A255 T256 I260 E261 E262	A254-R258 VanDerWaalsContact O-CB 3.31Å; A254-R258 WeakPolarHBondContact O-CB 3.43Å; A254-R258 PolarHBondContact O-N 3.23Å; A255-R258 PolarHBondContact O-N 2.74Å; T256-R258 VanDerWaalsContact C-N 3.33Å; T256-R258 PolarHBondContact O-N 2.87Å; R258-I260 VanDerWaalsContact C-N 3.32Å; R258-I260 PolarHBondContact O-N 3.17Å; R258-E261 PolarHBondContact O-N 3.16Å; R258-E262 WeakPolarHBondContact CD-OE1 3.46Å; R258-E262 HydrophobicContact CG-CG 4.31Å; R258-E262 WeakPolarHBondContact CG-OE1 3.37Å; R258-E262 IonicContact CZ-OE1 3.28Å; R258-E262 IonicContact NE-OE1 2.7Å; R258-E262 IonicContact NH1-OE1 2.71Å; R258-E262 PolarHBondContact NH1-OE1 2.79Å; R258-E262 IonicContact NH1-OE2 3.73Å; R258-E262 PolarHBondContact NH1-OE2 3.45Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.34Å; R258-E262 PolarHBondContact O-N 3.21Å
259	I	96.1	Very high	94.1	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-42.4	174.3	-66.8	164.5	0	0	0	110.7	V209 L212 K213 M216 A255 T256 E262 N263	V209-I259 HydrophobicContact CG1-CD1 4.14Å; V209-I259 HydrophobicContact CG1-CG1 4.49Å; L212-I259 HydrophobicContact CB-CD1 4.46Å; L212-I259 HydrophobicContact CD2-CD1 3.93Å; L212-I259 HydrophobicContact CG-CD1 3.94Å; K213-I259 HydrophobicContact CB-CD1 4.28Å; K213-I259 HydrophobicContact CB-CG2 4.27Å; K213-I259 HydrophobicContact CG-CG2 4.2Å; M216-I259 HydrophobicContact CE-CB 4.14Å; M216-I259 HydrophobicContact CE-CG2 3.84Å; M216-I259 HydrophobicContact SD-CB 4.04Å; M216-I259 HydrophobicContact SD-CD1 3.81Å; M216-I259 HydrophobicContact SD-CG2 3.73Å; A255-I259 WeakPolarHBondContact O-CG1 3.37Å; A255-I259 PolarHBondContact O-N 2.62Å; T256-I259 WeakPolarHBondContact O-CB 3.37Å; T256-I259 PolarHBondContact O-N 3.34Å; I259-E262 PolarHBondContact O-N 3.17Å; I259-N263 WeakPolarHBondContact O-CB 3.36Å; I259-N263 PolarHBondContact O-N 3.05Å; I259-N263 VanDerWaalsContact O-N 3.09Å; I259-N263 PolarHBondContact O-ND2 3.23Å
260	I	96.4	Very high	94.6	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-50.3	177.2	-67.4	168.9	0	0	0	110.9	M216 L227 T256 L257 R258 E262 N263 I264 L267 L270 A290	M216-I260 HydrophobicContact CE-CD1 4.32Å; M216-I260 HydrophobicContact CE-CG1 3.77Å; L227-I260 HydrophobicContact CD2-CD1 3.95Å; L227-I260 HydrophobicContact CD2-CG1 3.96Å; T256-I260 HydrophobicContact CG2-CD1 4.44Å; T256-I260 WeakPolarHBondContact O-CG1 3.45Å; T256-I260 PolarHBondContact O-N 3.4Å; L257-I260 HydrophobicContact CD2-CD1 4.39Å; L257-I260 PolarHBondContact O-N 2.93Å; R258-I260 VanDerWaalsContact C-N 3.32Å; R258-I260 PolarHBondContact O-N 3.17Å; I260-E262 VanDerWaalsContact C-N 3.32Å; I260-E262 PolarHBondContact O-N 3.25Å; I260-N263 PolarHBondContact O-N 3.17Å; I260-I264 HydrophobicContact CG2-CG1 4.36Å; I260-I264 CarbonylContact O-C 3.09Å; I260-I264 VanDerWaalsContact O-C 3.3Å; I260-I264 PolarHBondContact O-N 3.45Å; I260-L267 HydrophobicContact CG2-CD2 4.25Å; I260-L270 HydrophobicContact CD1-CD1 4.4Å; I260-A290 HydrophobicContact CG2-CB 4.16Å
261	E	96.5	Very high	95.1	Very high	88 Å²	88	36.1 Å²	36.1	41%	0.411	19%	0.192	S	C	.	.	H	α-helix	trans	-58.8	-42.1	179.1	-179.2	-179.3	-148.3	0	0	112.6	L257 R258 K289	L257-E261 PolarHBondContact O-N 3.35Å; R258-E261 PolarHBondContact O-N 3.16Å; E261-K289 HydrophobicContact CB-CB 4.05Å; E261-K289 HydrophobicContact CB-CG 4.1Å; E261-K289 HydrophobicContact CG-CG 4.37Å; E261-K289 IonicContact OE2-NZ 3.43Å; E261-K289 PolarHBondContact OE2-NZ 3.37Å
262	E	96	Very high	95.6	Very high	110 Å²	110	34.5 Å²	34.5	51%	0.514	18%	0.181	S	C	.	.	H	α-helix	trans	-76.3	-24.9	-176.1	-73.4	174.4	-171.3	0	0	113.6	R258 I259 I260	R258-E262 WeakPolarHBondContact CD-OE1 3.46Å; R258-E262 HydrophobicContact CG-CG 4.31Å; R258-E262 WeakPolarHBondContact CG-OE1 3.37Å; R258-E262 IonicContact CZ-OE1 3.28Å; R258-E262 IonicContact NE-OE1 2.7Å; R258-E262 IonicContact NH1-OE1 2.71Å; R258-E262 PolarHBondContact NH1-OE1 2.79Å; R258-E262 IonicContact NH1-OE2 3.73Å; R258-E262 PolarHBondContact NH1-OE2 3.45Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.34Å; R258-E262 PolarHBondContact O-N 3.21Å; I259-E262 PolarHBondContact O-N 3.17Å; I260-E262 VanDerWaalsContact C-N 3.32Å; I260-E262 PolarHBondContact O-N 3.25Å
263	N	95.9	Very high	95.8	Very high	63 Å²	63	34.6 Å²	34.6	34%	0.337	18%	0.182	S	C	.	.	H	α-helix	trans	-121	-32.8	-168.2	-60.4	-90.4	0	0	0	115	K213 I259 I260	K213-N263 WeakPolarHBondContact CE-OD1 3.33Å; K213-N263 PolarHBondContact NZ-OD1 3.39Å; I259-N263 WeakPolarHBondContact O-CB 3.36Å; I259-N263 PolarHBondContact O-N 3.05Å; I259-N263 VanDerWaalsContact O-N 3.09Å; I259-N263 PolarHBondContact O-ND2 3.23Å; I260-N263 PolarHBondContact O-N 3.17Å
264	I	94.3	Very high	96	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.118	20%	0.201	C	C	.	.			trans	-144.5	59.4	-174.2	47.7	169.1	0	0	0	111.7	Y220 L227 I260 E266 L267	Y220-I264 HydrophobicContact CD1-CG2 4.49Å; Y220-I264 HydrophobicContact CD2-CD1 3.98Å; Y220-I264 HydrophobicContact CE1-CG2 4.06Å; Y220-I264 HydrophobicContact CE2-CD1 4.1Å; Y220-I264 HydrophobicContact CE2-CG2 4.42Å; L227-I264 HydrophobicContact CD2-CD1 4.16Å; I260-I264 HydrophobicContact CG2-CG1 4.36Å; I260-I264 CarbonylContact O-C 3.09Å; I260-I264 VanDerWaalsContact O-C 3.3Å; I260-I264 PolarHBondContact O-N 3.45Å; I264-E266 PolarHBondContact O-N 3.27Å; I264-E266 VanDerWaalsContact O-N 3.16Å; I264-L267 HydrophobicContact CD1-CD1 4.18Å; I264-L267 WeakPolarHBondContact O-CB 3.46Å; I264-L267 PolarHBondContact O-N 3.39Å; I264-L267 VanDerWaalsContact O-N 3.14Å
265	P	92	Very high	96.1	Very high	60 Å²	60	36.7 Å²	36.7	39%	0.39	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.1	178.3	28.4	-37	0	0	0	114	L267 N292	P265-L267 VanDerWaalsContact C-N 3.3Å; P265-N292 PolarHBondContact O-ND2 2.83Å
266	E	92.8	Very high	96.1	Very high	79 Å²	79	43.6 Å²	43.6	37%	0.369	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	1.5	175.5	71.3	-78.8	-176.5	0	0	114.6	I264 L268	I264-E266 PolarHBondContact O-N 3.27Å; I264-E266 VanDerWaalsContact O-N 3.16Å; E266-L268 PolarHBondContact O-N 3.39Å
267	L	96.3	Very high	96	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.21	C	C	.	.			trans	-51.8	126.7	-179.3	-176.1	73.3	0	0	0	112.2	Y220 Q225 L227 I260 I264 P265 S269 L270 N292 L293	Y220-L267 HydrophobicContact CD2-CD1 4.13Å; Y220-L267 HydrophobicContact CE2-CD1 3.63Å; Q225-L267 VanDerWaalsContact O-CD1 3.23Å; Q225-L267 WeakPolarHBondContact O-CD1 3.43Å; L227-L267 HydrophobicContact CB-CD1 3.71Å; L227-L267 HydrophobicContact CB-CD2 4.09Å; L227-L267 HydrophobicContact CD2-CD2 4.47Å; I260-L267 HydrophobicContact CG2-CD2 4.25Å; I264-L267 HydrophobicContact CD1-CD1 4.18Å; I264-L267 WeakPolarHBondContact O-CB 3.46Å; I264-L267 PolarHBondContact O-N 3.39Å; I264-L267 VanDerWaalsContact O-N 3.14Å; P265-L267 VanDerWaalsContact C-N 3.3Å; L267-S269 WeakPolarHBondContact CD1-O 3.47Å; L267-L270 HydrophobicContact CD2-CB 4.11Å; L267-L270 HydrophobicContact CD2-CD1 4.22Å; L267-N292 CarbonylContact O-C 3.49Å; L267-L293 HydrophobicContact CD2-CD1 4.12Å; L267-L293 HydrophobicContact CG-CD1 4.19Å; L267-L293 WeakPolarHBondContact O-CA 3.39Å; L267-L293 PolarHBondContact O-N 2.79Å
268	L	97.6	Very high	95.8	Very high	53 Å²	53	48.3 Å²	48.3	28%	0.277	23%	0.227	S	C	.	.			trans	-101.4	-30	178.6	-63.7	-175.1	0	0	0	113.1	Q225 E266 N292 K294 I295	Q225-L268 HydrophobicContact CB-CB 4.19Å; Q225-L268 HydrophobicContact CB-CD1 4.46Å; Q225-L268 HydrophobicContact CB-CG 4.16Å; Q225-L268 PolarHBondContact O-N 2.85Å; Q225-L268 VanDerWaalsContact O-N 3.13Å; E266-L268 PolarHBondContact O-N 3.39Å; L268-N292 HydrophobicContact CD2-CB 4.16Å; L268-N292 VanDerWaalsContact CD2-O 3.23Å; L268-N292 WeakPolarHBondContact CD2-O 3.15Å; L268-K294 HydrophobicContact CD2-CD 4.32Å; L268-K294 PolarHBondContact O-N 2.76Å; L268-I295 PolarHBondContact O-N 2.6Å
269	S	98.2	Very high	95.7	Very high	24 Å²	24	47.3 Å²	47.3	17%	0.168	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.4	-175.5	-179	0	0	0	0	112.5	Q225 A226 L227 L267 I295	Q225-S269 PolarHBondContact O-N 2.77Å; A226-S269 WeakPolarHBondContact CA-O 3.42Å; L227-S269 PolarHBondContact N-O 3.39Å; L267-S269 WeakPolarHBondContact CD1-O 3.47Å; S269-I295 WeakPolarHBondContact CA-O 3.35Å
270	L	98.3	Very high	95.6	Very high	3 Å²	3	47 Å²	47	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.2	-179.6	179.7	63.2	0	0	0	110.8	L227 L229 I260 L267 L272 I286 L293 I295 L296 N297	L227-L270 HydrophobicContact CB-CD1 4.1Å; L227-L270 HydrophobicContact CD2-CD1 3.93Å; L227-L270 HydrophobicContact CG-CD1 4.14Å; L229-L270 HydrophobicContact CD1-CD1 4.09Å; L229-L270 HydrophobicContact CG-CD1 4.32Å; I260-L270 HydrophobicContact CD1-CD1 4.4Å; L267-L270 HydrophobicContact CD2-CB 4.11Å; L267-L270 HydrophobicContact CD2-CD1 4.22Å; L270-L272 HydrophobicContact CD1-CG 4.5Å; L270-L272 HydrophobicContact CD2-CD1 3.85Å; L270-L272 HydrophobicContact CD2-CG 4.15Å; L270-L272 HydrophobicContact CG-CD1 4.28Å; L270-L272 HydrophobicContact CG-CG 4.06Å; L270-I286 HydrophobicContact CD2-CD1 3.7Å; L270-L293 HydrophobicContact CB-CD1 3.6Å; L270-L293 HydrophobicContact CB-CD2 4.16Å; L270-L293 HydrophobicContact CD2-CD2 4.43Å; L270-I295 PolarHBondContact N-O 3.12Å; L270-L296 HydrophobicContact CB-CD1 4.28Å; L270-L296 HydrophobicContact CD2-CD1 4.22Å; L270-L296 HydrophobicContact CG-CD1 4.34Å; L270-L296 WeakPolarHBondContact O-CA 3.3Å; L270-N297 PolarHBondContact O-N 2.74Å
271	N	98.4	Very high	95.4	Very high	31 Å²	31	49.1 Å²	49.1	17%	0.166	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.1	174.2	-172.8	3.3	0	0	0	111.3	L227 D228 L229 S273 N297	L227-N271 PolarHBondContact O-N 2.72Å; D228-N271 PolarHBondContact OD1-ND2 3.28Å; D228-N271 VanDerWaalsContact OD1-ND2 3.08Å; L229-N271 CarbonylContact C-O 3.44Å; L229-N271 VanDerWaalsContact CA-O 3.27Å; L229-N271 WeakPolarHBondContact CA-O 3.46Å; L229-N271 VanDerWaalsContact CB-O 3.32Å; L229-N271 WeakPolarHBondContact CB-O 3.46Å; L229-N271 PolarHBondContact N-O 3.21Å; N271-S273 PolarHBondContact ND2-OG 3.17Å; N271-S273 VanDerWaalsContact OD1-CB 3.25Å; N271-S273 WeakPolarHBondContact OD1-CB 3.13Å; N271-S273 PolarHBondContact OD1-N 3.38Å; N271-S273 PolarHBondContact OD1-OG 2.9Å; N271-N297 HydrophobicContact CB-CB 4.4Å
272	L	98	Very high	95.2	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	22%	0.217	C	C	.	.			trans	-118.2	21.8	176.8	-74.4	171	0	0	0	111.8	L229 L247 L270 N275 L277 M283 L296 N297 L298 N301	L229-L272 HydrophobicContact CB-CD2 4.04Å; L229-L272 HydrophobicContact CD1-CD2 3.99Å; L247-L272 HydrophobicContact CD1-CD2 3.79Å; L270-L272 HydrophobicContact CD1-CG 4.5Å; L270-L272 HydrophobicContact CD2-CD1 3.85Å; L270-L272 HydrophobicContact CD2-CG 4.15Å; L270-L272 HydrophobicContact CG-CD1 4.28Å; L270-L272 HydrophobicContact CG-CG 4.06Å; L272-N275 VanDerWaalsContact C-ND2 3.26Å; L272-N275 PolarHBondContact O-ND2 3.46Å; L272-L277 HydrophobicContact CB-CD1 4.43Å; L272-M283 HydrophobicContact CD1-CE 3.67Å; L272-M283 HydrophobicContact CD1-SD 4.22Å; L272-L296 HydrophobicContact CD1-CD1 4.3Å; L272-N297 CarbonylContact C-O 3.57Å; L272-N297 WeakPolarHBondContact CA-O 3.44Å; L272-N297 PolarHBondContact N-O 3.25Å; L272-L298 HydrophobicContact CB-CD2 3.96Å; L272-L298 HydrophobicContact CD1-CD2 4.16Å; L272-N301 PolarHBondContact O-ND2 3.27Å
273	S	97.8	Very high	95.1	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.021	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	149.9	179.7	55.8	0	0	0	0	113.2	K230 G231 N271 N275 N297 S299	K230-S273 WeakPolarHBondContact CA-O 3.36Å; K230-S273 WeakPolarHBondContact CG-OG 3.45Å; G231-S273 PolarHBondContact N-O 3.31Å; N271-S273 PolarHBondContact ND2-OG 3.17Å; N271-S273 VanDerWaalsContact OD1-CB 3.25Å; N271-S273 WeakPolarHBondContact OD1-CB 3.13Å; N271-S273 PolarHBondContact OD1-N 3.38Å; N271-S273 PolarHBondContact OD1-OG 2.9Å; S273-N275 VanDerWaalsContact C-N 3.28Å; S273-N275 PolarHBondContact O-N 2.87Å; S273-N275 PolarHBondContact O-ND2 3.3Å; S273-N297 PolarHBondContact N-O 2.83Å; S273-S299 CarbonylContact C-O 3.56Å; S273-S299 WeakPolarHBondContact CA-O 3.2Å; S273-S299 VanDerWaalsContact CB-O 3.3Å; S273-S299 WeakPolarHBondContact CB-O 3.38Å; S273-S299 WeakPolarHBondContact CB-OG 3.17Å
274	N	97	Very high	95	Very high	82 Å²	82	40 Å²	40	44%	0.439	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	33.1	175.4	-55.5	109.5	0	0	0	115.4	K230 S299 G300	K230-N274 WeakPolarHBondContact CE-OD1 3.49Å; N274-S299 PolarHBondContact N-O 2.85Å; N274-G300 WeakPolarHBondContact CA-O 2.88Å
275	N	95.6	Very high	95.1	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.08	20%	0.203	C	C	.	.	S	Bend	trans	-100.7	6.1	178.2	-77.1	-58.6	0	0	0	114.3	L229 L232 L247 L272 S273 L277 N301	L229-N275 PolarHBondContact O-ND2 2.88Å; L229-N275 PolarHBondContact O-OD1 2.84Å; L232-N275 PolarHBondContact N-OD1 2.71Å; L232-N275 VanDerWaalsContact N-OD1 3.07Å; L247-N275 HydrophobicContact CB-CB 4.36Å; L247-N275 HydrophobicContact CD1-CB 4.4Å; L272-N275 VanDerWaalsContact C-ND2 3.26Å; L272-N275 PolarHBondContact O-ND2 3.46Å; S273-N275 VanDerWaalsContact C-N 3.28Å; S273-N275 PolarHBondContact O-N 2.87Å; S273-N275 PolarHBondContact O-ND2 3.3Å; N275-L277 HydrophobicContact CB-CD2 4.36Å; N275-L277 HydrophobicContact CB-CG 4.08Å; N275-L277 PolarHBondContact O-N 2.97Å; N275-N301 PolarHBondContact N-OD1 3.41Å; N275-N301 VanDerWaalsContact N-OD1 3.09Å
276	R	93.4	Very high	95.2	Very high	159 Å²	159	38 Å²	38	60%	0.6	19%	0.185	S	C	*	.			trans	52.8	41.8	-179.1	-53.6	-175.7	-171.3	-176.8	0.1	112.4	N248 Y278 N301 E302	N248-R276 WeakPolarHBondContact CB-O 3.18Å; N248-R276 PolarHBondContact ND2-O 3.26Å; N248-R276 VanDerWaalsContact ND2-O 3.1Å; R276-Y278 PolarHBondContact O-N 2.73Å; R276-N301 PolarHBondContact N-OD1 3.05Å; R276-E302 HydrophobicContact CB-CG 4.42Å
277	L	94.2	Very high	95.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	18%	0.181	C	C	.	.			trans	-72.2	122.1	173.7	-58	178.3	0	0	0	108.9	L247 N248 M253 L272 N275 L298 N301 E302 L303	L247-L277 HydrophobicContact CB-CD2 4.21Å; N248-L277 HydrophobicContact CB-CD2 4.02Å; M253-L277 HydrophobicContact CE-CD1 4.45Å; M253-L277 HydrophobicContact CE-CD2 4.02Å; L272-L277 HydrophobicContact CB-CD1 4.43Å; N275-L277 HydrophobicContact CB-CD2 4.36Å; N275-L277 HydrophobicContact CB-CG 4.08Å; N275-L277 PolarHBondContact O-N 2.97Å; L277-L298 HydrophobicContact CD1-CD2 4.25Å; L277-N301 HydrophobicContact CB-CB 4.19Å; L277-N301 WeakPolarHBondContact CG-OD1 3.43Å; L277-N301 PolarHBondContact N-OD1 3Å; L277-E302 CarbonylContact O-C 3.57Å; L277-E302 WeakPolarHBondContact O-CA 3.41Å; L277-E302 PolarHBondContact O-N 3.33Å; L277-L303 WeakPolarHBondContact O-CD2 3.25Å; L277-L303 PolarHBondContact O-N 3.42Å
278	Y	91.4	Very high	95.2	Very high	101 Å²	101	44.3 Å²	44.3	40%	0.396	22%	0.217	S	C	.	.			trans	-107.2	-8.1	177.7	56.7	-91.3	0	0	0	112.9	N248 R276	N248-Y278 HydrophobicContact CB-CD1 4.03Å; N248-Y278 HydrophobicContact CB-CE1 3.69Å; N248-Y278 PolarHBondContact O-OH 3.16Å; R276-Y278 PolarHBondContact O-N 2.73Å
279	R	93.3	Very high	95	Very high	84 Å²	84	43.7 Å²	43.7	32%	0.317	21%	0.212	S	C	.	.			trans	-151.5	148.1	177.4	63.4	-176.1	-174.1	-168.2	-1.2	110.9	D281 D282 E308	R279-D281 WeakPolarHBondContact CB-OD1 3.49Å; R279-D281 WeakPolarHBondContact CD-OD1 3.26Å; R279-D281 WeakPolarHBondContact CG-OD1 3.43Å; R279-D281 IonicContact NE-OD1 2.93Å; R279-D282 IonicContact CZ-OD2 2.74Å; R279-D282 VanDerWaalsContact CZ-OD2 3.24Å; R279-D282 IonicContact NE-OD1 3.4Å; R279-D282 IonicContact NE-OD2 2.74Å; R279-D282 PolarHBondContact NE-OD2 3.34Å; R279-D282 IonicContact NH2-OD1 3.71Å; R279-D282 IonicContact NH2-OD2 3.63Å; R279-D282 PolarHBondContact NH2-OD2 3.23Å; R279-E308 VanDerWaalsContact CA-OE2 3.28Å; R279-E308 WeakPolarHBondContact CA-OE2 3.11Å
280	L	95.2	Very high	94.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-108.9	3.9	-179	-59.2	179.3	0	0	0	114.1	D282 M283 S284 L298 L303 E308 L309 K311 I312	L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 2.95Å; L280-M283 HydrophobicContact CB-CG 4.19Å; L280-M283 HydrophobicContact CD2-CG 4.24Å; L280-M283 HydrophobicContact CD2-SD 3.54Å; L280-M283 VanDerWaalsContact CD2-SD 3.54Å; L280-M283 VanDerWaalsContact O-CG 3.29Å; L280-M283 WeakPolarHBondContact O-CG 3.41Å; L280-M283 PolarHBondContact O-N 3.46Å; L280-S284 PolarHBondContact O-N 3.39Å; L280-L298 HydrophobicContact CD1-CD1 4.11Å; L280-L298 HydrophobicContact CD2-CD1 4.33Å; L280-L298 HydrophobicContact CD2-CD2 4.44Å; L280-L303 HydrophobicContact CD1-CD1 4.1Å; L280-L303 HydrophobicContact CD1-CD2 4.45Å; L280-L303 HydrophobicContact CD2-CD1 4.25Å; L280-L303 HydrophobicContact CD2-CD2 4.01Å; L280-L303 HydrophobicContact CG-CD1 4.35Å; L280-L303 HydrophobicContact CG-CD2 3.91Å; L280-E308 HydrophobicContact CB-CB 4.42Å; L280-E308 HydrophobicContact CD1-CB 3.95Å; L280-E308 HydrophobicContact CG-CB 4.05Å; L280-E308 PolarHBondContact N-OE2 3.21Å; L280-L309 HydrophobicContact CD1-CD2 3.93Å; L280-K311 HydrophobicContact CB-CD 4.42Å; L280-I312 HydrophobicContact CD1-CD1 3.95Å; L280-I312 HydrophobicContact CD1-CG1 4.23Å
281	D	92.4	Very high	94.7	Very high	47 Å²	47	46 Å²	46	25%	0.251	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-66.8	-34.1	177.2	62.9	-40.9	0	0	0	112.4	R250 R279 M283 S284 K311	R250-D281 IonicContact NH2-OD2 2.89Å; R250-D281 PolarHBondContact NH2-OD2 3.11Å; R250-D281 VanDerWaalsContact NH2-OD2 3.15Å; R279-D281 WeakPolarHBondContact CB-OD1 3.49Å; R279-D281 WeakPolarHBondContact CD-OD1 3.26Å; R279-D281 WeakPolarHBondContact CG-OD1 3.43Å; R279-D281 IonicContact NE-OD1 2.93Å; D281-M283 PolarHBondContact O-N 3.41Å; D281-S284 PolarHBondContact O-N 3.14Å; D281-S284 PolarHBondContact O-OG 2.61Å; D281-K311 HydrophobicContact CB-CD 3.77Å; D281-K311 VanDerWaalsContact N-CD 3.35Å
282	D	90.9	Very high	94.5	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.064	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-64.9	-18.8	176.9	-67.9	-26.4	0	0	0	112.2	R250 M253 R279 L280	R250-D282 HydrophobicContact CB-CB 4.42Å; R250-D282 WeakPolarHBondContact CB-OD1 3.49Å; R250-D282 IonicContact CZ-OD1 3.25Å; R250-D282 IonicContact NE-OD1 3.39Å; R250-D282 PolarHBondContact NE-OD1 3.09Å; R250-D282 IonicContact NH1-OD1 3.02Å; R250-D282 IonicContact NH2-OD1 3.52Å; R250-D282 PolarHBondContact NH2-OD1 3.46Å; M253-D282 HydrophobicContact CB-CB 4.44Å; M253-D282 HydrophobicContact CG-CB 4.38Å; M253-D282 WeakPolarHBondContact CG-O 3.35Å; R279-D282 IonicContact CZ-OD2 2.74Å; R279-D282 VanDerWaalsContact CZ-OD2 3.24Å; R279-D282 IonicContact NE-OD1 3.4Å; R279-D282 IonicContact NE-OD2 2.74Å; R279-D282 PolarHBondContact NE-OD2 3.34Å; R279-D282 IonicContact NH2-OD1 3.71Å; R279-D282 IonicContact NH2-OD2 3.63Å; R279-D282 PolarHBondContact NH2-OD2 3.23Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 2.95Å
283	M	94.8	Very high	94.4	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-112.4	8.8	177.1	71.1	179	-69.7	0	0	114.9	M253 L257 L272 L280 D281 S285 I286 I312	M253-M283 HydrophobicContact CE-CB 4.36Å; M253-M283 HydrophobicContact CG-CB 3.93Å; M253-M283 HydrophobicContact SD-CB 3.88Å; L257-M283 HydrophobicContact CD1-CB 4.06Å; L272-M283 HydrophobicContact CD1-CE 3.67Å; L272-M283 HydrophobicContact CD1-SD 4.22Å; L280-M283 HydrophobicContact CB-CG 4.19Å; L280-M283 HydrophobicContact CD2-CG 4.24Å; L280-M283 HydrophobicContact CD2-SD 3.54Å; L280-M283 VanDerWaalsContact CD2-SD 3.54Å; L280-M283 VanDerWaalsContact O-CG 3.29Å; L280-M283 WeakPolarHBondContact O-CG 3.41Å; L280-M283 PolarHBondContact O-N 3.46Å; D281-M283 PolarHBondContact O-N 3.41Å; M283-S285 PolarHBondContact O-N 3.15Å; M283-I286 HydrophobicContact CE-CD1 3.74Å; M283-I286 HydrophobicContact CE-CG2 4.39Å; M283-I286 VanDerWaalsContact O-CB 3.23Å; M283-I286 WeakPolarHBondContact O-CB 3.3Å; M283-I286 WeakPolarHBondContact O-CG2 3.25Å; M283-I286 PolarHBondContact O-N 3.02Å; M283-I312 HydrophobicContact CG-CG2 4.18Å
284	S	93.9	Very high	94.4	Very high	57 Å²	57	52.4 Å²	52.4	40%	0.399	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.4	-177.3	67.9	0	0	0	0	113.7	L280 D281 I286 K311	L280-S284 PolarHBondContact O-N 3.39Å; D281-S284 PolarHBondContact O-N 3.14Å; D281-S284 PolarHBondContact O-OG 2.61Å; S284-I286 PolarHBondContact O-N 2.9Å; S284-K311 WeakPolarHBondContact CB-O 3.47Å
285	S	94.9	Very high	94.5	Very high	39 Å²	39	51 Å²	51	27%	0.273	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.4	175.6	57.3	0	0	0	0	113.9	M283 V287 Q288 K289	M283-S285 PolarHBondContact O-N 3.15Å; S285-V287 PolarHBondContact O-N 2.74Å; S285-V287 VanDerWaalsContact O-N 3.16Å; S285-Q288 PolarHBondContact O-N 2.8Å; S285-K289 WeakPolarHBondContact O-CG 3.39Å; S285-K289 PolarHBondContact O-N 3.39Å; S285-K289 VanDerWaalsContact O-N 3.12Å
286	I	95.9	Very high	94.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-56.5	-30.9	176.6	-164.5	167.2	0	0	0	112.7	L257 L270 M283 S284 Q288 K289 A290 L293 I312 L315	L257-I286 HydrophobicContact CD2-CB 4.11Å; L257-I286 HydrophobicContact CD2-CD1 4.13Å; L257-I286 HydrophobicContact CD2-CG1 4.02Å; L270-I286 HydrophobicContact CD2-CD1 3.7Å; M283-I286 HydrophobicContact CE-CD1 3.74Å; M283-I286 HydrophobicContact CE-CG2 4.39Å; M283-I286 VanDerWaalsContact O-CB 3.23Å; M283-I286 WeakPolarHBondContact O-CB 3.3Å; M283-I286 WeakPolarHBondContact O-CG2 3.25Å; M283-I286 PolarHBondContact O-N 3.02Å; S284-I286 PolarHBondContact O-N 2.9Å; I286-Q288 PolarHBondContact O-N 2.92Å; I286-K289 PolarHBondContact O-N 2.82Å; I286-A290 HydrophobicContact CG1-CB 4.3Å; I286-A290 PolarHBondContact O-N 2.51Å; I286-L293 HydrophobicContact CD1-CD2 3.92Å; I286-I312 HydrophobicContact CG2-CG2 4.07Å; I286-L315 HydrophobicContact CG2-CD1 3.87Å; I286-L315 HydrophobicContact CG2-CD2 4.3Å; I286-L315 HydrophobicContact CG2-CG 4.28Å
287	V	94.1	Very high	94.8	Very high	46 Å²	46	44 Å²	44	28%	0.279	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-35.7	178.1	-177.2	0	0	0	0	111.8	S285 L315	S285-V287 PolarHBondContact O-N 2.74Å; S285-V287 VanDerWaalsContact O-N 3.16Å; V287-L315 HydrophobicContact CG2-CD2 4.3Å; V287-L315 HydrophobicContact CG2-CG 4.12Å
288	Q	94.2	Very high	95	Very high	165 Å²	165	43.9 Å²	43.9	77%	0.771	22%	0.223	S	C	*	.	H	α-helix	trans	-87.3	-35.9	178.2	-66.6	174.8	-1.5	0	0	111.7	S285 I286	S285-Q288 PolarHBondContact O-N 2.8Å; I286-Q288 PolarHBondContact O-N 2.92Å
289	K	93.9	Very high	95.3	Very high	40 Å²	40	40.1 Å²	40.1	17%	0.174	21%	0.212	C	C	.	.	H	α-helix	trans	-81.8	-29.4	-172.2	-69	-179.7	174.2	-74.1	0	114.3	L257 E261 S285 I286	L257-K289 HydrophobicContact CB-CD 3.59Å; E261-K289 HydrophobicContact CB-CB 4.05Å; E261-K289 HydrophobicContact CB-CG 4.1Å; E261-K289 HydrophobicContact CG-CG 4.37Å; E261-K289 IonicContact OE2-NZ 3.43Å; E261-K289 PolarHBondContact OE2-NZ 3.37Å; S285-K289 WeakPolarHBondContact O-CG 3.39Å; S285-K289 PolarHBondContact O-N 3.39Å; S285-K289 VanDerWaalsContact O-N 3.12Å; I286-K289 PolarHBondContact O-N 2.82Å
290	A	94.6	Very high	95.5	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.017	21%	0.21	C	C	.	.			trans	-138.3	67.2	176.9	0	0	0	0	0	110.1	I260 I286 N292 L293	I260-A290 HydrophobicContact CG2-CB 4.16Å; I286-A290 HydrophobicContact CG1-CB 4.3Å; I286-A290 PolarHBondContact O-N 2.51Å; A290-N292 PolarHBondContact O-N 2.9Å; A290-L293 HydrophobicContact CB-CB 4.32Å; A290-L293 VanDerWaalsContact O-CB 3.31Å; A290-L293 WeakPolarHBondContact O-CB 3.44Å; A290-L293 PolarHBondContact O-N 2.84Å
291	P	94	Very high	95.6	Very high	75 Å²	75	37.8 Å²	37.8	49%	0.487	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.2	-174.4	28.5	-35.7	0	0	0	113.5	L293	P291-L293 VanDerWaalsContact C-N 3.34Å
292	N	94.6	Very high	95.7	Very high	87 Å²	87	40 Å²	40	47%	0.465	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.9	179.3	-62.4	-39.9	0	0	0	113.3	P265 L267 L268 A290 K294	P265-N292 PolarHBondContact O-ND2 2.83Å; L267-N292 CarbonylContact O-C 3.49Å; L268-N292 HydrophobicContact CD2-CB 4.16Å; L268-N292 VanDerWaalsContact CD2-O 3.23Å; L268-N292 WeakPolarHBondContact CD2-O 3.15Å; A290-N292 PolarHBondContact O-N 2.9Å; N292-K294 PolarHBondContact O-N 2.87Å
293	L	96.9	Very high	95.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.217	C	C	.	.			trans	-61.4	123.1	-177.9	-168.9	75.1	0	0	0	110.8	L267 L270 I286 A290 P291 L296 L315 L317	L267-L293 HydrophobicContact CD2-CD1 4.12Å; L267-L293 HydrophobicContact CG-CD1 4.19Å; L267-L293 WeakPolarHBondContact O-CA 3.39Å; L267-L293 PolarHBondContact O-N 2.79Å; L270-L293 HydrophobicContact CB-CD1 3.6Å; L270-L293 HydrophobicContact CB-CD2 4.16Å; L270-L293 HydrophobicContact CD2-CD2 4.43Å; I286-L293 HydrophobicContact CD1-CD2 3.92Å; A290-L293 HydrophobicContact CB-CB 4.32Å; A290-L293 VanDerWaalsContact O-CB 3.31Å; A290-L293 WeakPolarHBondContact O-CB 3.44Å; A290-L293 PolarHBondContact O-N 2.84Å; P291-L293 VanDerWaalsContact C-N 3.34Å; L293-L296 HydrophobicContact CD2-CB 4.42Å; L293-L296 HydrophobicContact CD2-CD1 4.31Å; L293-L315 HydrophobicContact CB-CD2 4.47Å; L293-L315 HydrophobicContact CD2-CD1 4.27Å; L293-L317 HydrophobicContact CD2-CD2 4.43Å; L293-L317 HydrophobicContact CG-CD2 4.36Å
294	K	97.2	Very high	95.8	Very high	82 Å²	82	47 Å²	47	36%	0.357	25%	0.251	S	S	.	.			trans	-112.2	-30.8	-179	-71.9	179.2	171.2	-146.5	0	112.9	L268 N292 L317 E318 E319	L268-K294 HydrophobicContact CD2-CD 4.32Å; L268-K294 PolarHBondContact O-N 2.76Å; N292-K294 PolarHBondContact O-N 2.87Å; K294-L317 CarbonylContact O-C 3.36Å; K294-L317 WeakPolarHBondContact O-CA 3.49Å; K294-E318 HydrophobicContact CB-CB 4.45Å; K294-E318 HydrophobicContact CB-CG 4.39Å; K294-E318 HydrophobicContact CD-CG 4.49Å; K294-E318 WeakPolarHBondContact CD-OE1 3.25Å; K294-E318 VanDerWaalsContact CE-OE1 3.25Å; K294-E318 WeakPolarHBondContact CE-OE1 3.42Å; K294-E318 HydrophobicContact CG-CG 4.43Å; K294-E318 IonicContact NZ-OE1 2.7Å; K294-E318 PolarHBondContact NZ-OE1 2.78Å; K294-E318 IonicContact NZ-OE2 3.14Å; K294-E318 PolarHBondContact O-N 2.85Å; K294-E319 PolarHBondContact O-N 3.41Å; K294-E319 VanDerWaalsContact O-N 3.13Å
295	I	98.2	Very high	95.9	Very high	53 Å²	53	46.5 Å²	46.5	27%	0.272	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125	-178	-51.9	-178	0	0	0	108.7	L268 S269 L270 E319	L268-I295 PolarHBondContact O-N 2.6Å; S269-I295 WeakPolarHBondContact CA-O 3.35Å; L270-I295 PolarHBondContact N-O 3.12Å; I295-E319 WeakPolarHBondContact CA-O 3.39Å; I295-E319 HydrophobicContact CB-CB 4.44Å; I295-E319 HydrophobicContact CG1-CB 4.11Å; I295-E319 HydrophobicContact CG2-CB 4.07Å; I295-E319 HydrophobicContact CG2-CG 4.21Å
296	L	98.3	Very high	95.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.7	177.2	178.9	62.4	0	0	0	110.4	L270 L272 L293 L298 I312 L315 L317 E319 L320 W321	L270-L296 HydrophobicContact CB-CD1 4.28Å; L270-L296 HydrophobicContact CD2-CD1 4.22Å; L270-L296 HydrophobicContact CG-CD1 4.34Å; L270-L296 WeakPolarHBondContact O-CA 3.3Å; L272-L296 HydrophobicContact CD1-CD1 4.3Å; L293-L296 HydrophobicContact CD2-CB 4.42Å; L293-L296 HydrophobicContact CD2-CD1 4.31Å; L296-L298 HydrophobicContact CD1-CD2 4.33Å; L296-L298 HydrophobicContact CD1-CG 4.41Å; L296-L298 HydrophobicContact CD2-CD1 3.99Å; L296-L298 HydrophobicContact CD2-CG 4.19Å; L296-L298 HydrophobicContact CG-CD1 4.37Å; L296-L298 HydrophobicContact CG-CD2 4.47Å; L296-L298 HydrophobicContact CG-CG 4.04Å; L296-I312 HydrophobicContact CD2-CD1 3.87Å; L296-L315 HydrophobicContact CD2-CD1 4.28Å; L296-L317 HydrophobicContact CB-CD1 3.83Å; L296-L317 HydrophobicContact CB-CD2 3.85Å; L296-L317 HydrophobicContact CD2-CD1 4.05Å; L296-E319 PolarHBondContact N-O 3.03Å; L296-L320 HydrophobicContact CB-CD1 4.18Å; L296-L320 HydrophobicContact CD2-CD1 4.28Å; L296-L320 HydrophobicContact CG-CD1 4.24Å; L296-L320 VanDerWaalsContact O-CA 3.3Å; L296-L320 WeakPolarHBondContact O-CA 3.29Å; L296-L320 WeakPolarHBondContact O-CD1 3.3Å; L296-W321 PolarHBondContact O-N 3.26Å
297	N	98.4	Very high	95.8	Very high	28 Å²	28	55.4 Å²	55.4	15%	0.15	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.2	174.8	-176.2	-9.7	0	0	0	111.1	L270 N271 L272 S273 S299 W321	L270-N297 PolarHBondContact O-N 2.74Å; N271-N297 HydrophobicContact CB-CB 4.4Å; L272-N297 CarbonylContact C-O 3.57Å; L272-N297 WeakPolarHBondContact CA-O 3.44Å; L272-N297 PolarHBondContact N-O 3.25Å; S273-N297 PolarHBondContact N-O 2.83Å; N297-S299 VanDerWaalsContact OD1-CB 3.29Å; N297-S299 WeakPolarHBondContact OD1-CB 3.27Å; N297-S299 PolarHBondContact OD1-N 2.84Å; N297-S299 PolarHBondContact OD1-OG 3.24Å; N297-W321 HydrophobicContact CB-CB 4.08Å; N297-W321 HydrophobicContact CB-CG 4.24Å; N297-W321 WeakPolarHBondContact OD1-CB 3.43Å
298	L	98.3	Very high	95.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.			trans	-117.4	19	177.5	-64	172.9	0	0	0	111.9	L272 L277 L280 L296 N301 L303 L309 I312 W321 L322 N325	L272-L298 HydrophobicContact CB-CD2 3.96Å; L272-L298 HydrophobicContact CD1-CD2 4.16Å; L277-L298 HydrophobicContact CD1-CD2 4.25Å; L280-L298 HydrophobicContact CD1-CD1 4.11Å; L280-L298 HydrophobicContact CD2-CD1 4.33Å; L280-L298 HydrophobicContact CD2-CD2 4.44Å; L296-L298 HydrophobicContact CD1-CD2 4.33Å; L296-L298 HydrophobicContact CD1-CG 4.41Å; L296-L298 HydrophobicContact CD2-CD1 3.99Å; L296-L298 HydrophobicContact CD2-CG 4.19Å; L296-L298 HydrophobicContact CG-CD1 4.37Å; L296-L298 HydrophobicContact CG-CD2 4.47Å; L296-L298 HydrophobicContact CG-CG 4.04Å; L298-N301 PolarHBondContact O-ND2 3.3Å; L298-L303 HydrophobicContact CD1-CD1 4.42Å; L298-L309 HydrophobicContact CD1-CD2 4.49Å; L298-I312 HydrophobicContact CD1-CD1 4.18Å; L298-W321 CarbonylContact C-O 3.57Å; L298-W321 WeakPolarHBondContact CA-O 2.88Å; L298-W321 PolarHBondContact N-O 3.34Å; L298-L322 HydrophobicContact CB-CD2 4.12Å; L298-L322 HydrophobicContact CD1-CD2 4.17Å; L298-N325 PolarHBondContact O-ND2 2.89Å
299	S	97.9	Very high	96	Very high	22 Å²	22	47.1 Å²	47.1	15%	0.154	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	150.9	-175.5	71.1	0	0	0	0	113.4	S273 N274 N297 N301 W321 D323	S273-S299 CarbonylContact C-O 3.56Å; S273-S299 WeakPolarHBondContact CA-O 3.2Å; S273-S299 VanDerWaalsContact CB-O 3.3Å; S273-S299 WeakPolarHBondContact CB-O 3.38Å; S273-S299 WeakPolarHBondContact CB-OG 3.17Å; N274-S299 PolarHBondContact N-O 2.85Å; N297-S299 VanDerWaalsContact OD1-CB 3.29Å; N297-S299 WeakPolarHBondContact OD1-CB 3.27Å; N297-S299 PolarHBondContact OD1-N 2.84Å; N297-S299 PolarHBondContact OD1-OG 3.24Å; S299-N301 VanDerWaalsContact C-N 3.26Å; S299-N301 PolarHBondContact O-N 3.09Å; S299-W321 PolarHBondContact N-O 3.33Å; S299-D323 CarbonylContact C-O 3.59Å; S299-D323 WeakPolarHBondContact CA-O 3.5Å; S299-D323 WeakPolarHBondContact CB-O 2.71Å
300	G	96.6	Very high	96.1	Very high	26 Å²	26	48 Å²	48	27%	0.268	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	31	177.8	0	0	0	0	0	114.7	N274 D323	N274-G300 WeakPolarHBondContact CA-O 2.88Å; G300-D323 PolarHBondContact N-O 2.94Å
301	N	97	Very high	96.2	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.043	26%	0.255	C	S	.	.	S	Bend	trans	-97.5	-176	170.7	-78.6	-64.5	0	0	0	110.8	L272 N275 R276 L277 L298 S299 L303 N325	L272-N301 PolarHBondContact O-ND2 3.27Å; N275-N301 PolarHBondContact N-OD1 3.41Å; N275-N301 VanDerWaalsContact N-OD1 3.09Å; R276-N301 PolarHBondContact N-OD1 3.05Å; L277-N301 HydrophobicContact CB-CB 4.19Å; L277-N301 WeakPolarHBondContact CG-OD1 3.43Å; L277-N301 PolarHBondContact N-OD1 3Å; L298-N301 PolarHBondContact O-ND2 3.3Å; S299-N301 VanDerWaalsContact C-N 3.26Å; S299-N301 PolarHBondContact O-N 3.09Å; N301-L303 HydrophobicContact CB-CG 4.35Å; N301-N325 WeakPolarHBondContact CA-OD1 3.27Å; N301-N325 VanDerWaalsContact CB-OD1 3.25Å; N301-N325 WeakPolarHBondContact CB-OD1 3.41Å; N301-N325 PolarHBondContact N-OD1 3.21Å; N301-N325 PolarHBondContact O-OD1 3.5Å; N301-N325 VanDerWaalsContact O-OD1 3.1Å
302	E	94.7	Very high	96.3	Very high	94 Å²	94	47.8 Å²	47.8	44%	0.439	23%	0.232	S	C	.	.			trans	-107.1	32.9	-175.5	-64.2	179.9	-166.8	0	0	111.5	R276 L277 K304	R276-E302 HydrophobicContact CB-CG 4.42Å; L277-E302 CarbonylContact O-C 3.57Å; L277-E302 WeakPolarHBondContact O-CA 3.41Å; L277-E302 PolarHBondContact O-N 3.33Å; E302-K304 PolarHBondContact O-N 3.09Å
303	L	95.2	Very high	96.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.235	C	C	.	.			trans	-74.4	120.5	179.4	-57.2	175.5	0	0	0	109.8	L277 L280 L298 N301 E308 N325 S326 L327	L277-L303 WeakPolarHBondContact O-CD2 3.25Å; L277-L303 PolarHBondContact O-N 3.42Å; L280-L303 HydrophobicContact CD1-CD1 4.1Å; L280-L303 HydrophobicContact CD1-CD2 4.45Å; L280-L303 HydrophobicContact CD2-CD1 4.25Å; L280-L303 HydrophobicContact CD2-CD2 4.01Å; L280-L303 HydrophobicContact CG-CD1 4.35Å; L280-L303 HydrophobicContact CG-CD2 3.91Å; L298-L303 HydrophobicContact CD1-CD1 4.42Å; N301-L303 HydrophobicContact CB-CG 4.35Å; L303-E308 HydrophobicContact CD2-CB 4.42Å; L303-E308 HydrophobicContact CD2-CG 4.43Å; L303-N325 HydrophobicContact CB-CB 4.32Å; L303-N325 WeakPolarHBondContact CB-OD1 3.43Å; L303-N325 WeakPolarHBondContact CG-OD1 3.38Å; L303-N325 PolarHBondContact N-OD1 3.09Å; L303-S326 PolarHBondContact O-N 2.98Å; L303-S326 PolarHBondContact O-OG 3.34Å; L303-L327 HydrophobicContact CB-CD2 3.77Å; L303-L327 PolarHBondContact O-N 3.35Å
304	K	93.7	Very high	96.1	Very high	162 Å²	162	51.6 Å²	51.6	70%	0.704	26%	0.258	S	S	*	.			trans	-97	-14.4	-174.9	-64.2	-177.7	-180	-179.2	0	114.6	E302 S326	E302-K304 PolarHBondContact O-N 3.09Å; K304-S326 WeakPolarHBondContact CA-OG 3.33Å
305	S	94.4	Very high	96	Very high	45 Å²	45	48.1 Å²	48.1	32%	0.315	24%	0.243	S	C	.	.			trans	-146.6	137.5	-175.8	-177.1	0	0	0	0	110.8	R307 E308	S305-R307 PolarHBondContact O-N 3.19Å; S305-R307 VanDerWaalsContact O-N 3.11Å; S305-R307 PolarHBondContact OG-N 3.42Å; S305-E308 WeakPolarHBondContact O-CB 3.34Å; S305-E308 PolarHBondContact O-N 3.18Å
306	E	94.9	Very high	95.8	Very high	47 Å²	47	52.6 Å²	52.6	22%	0.22	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-54.8	-24.6	170.5	72.1	-156.1	-138	0	0	113	E308 L309 F331 R344	E306-E308 PolarHBondContact O-N 3.06Å; E306-E308 VanDerWaalsContact O-N 3.11Å; E306-L309 VanDerWaalsContact O-CB 3.26Å; E306-L309 WeakPolarHBondContact O-CB 3.33Å; E306-L309 WeakPolarHBondContact O-CG 3.45Å; E306-L309 PolarHBondContact O-N 3.23Å; E306-F331 HydrophobicContact CB-CZ 4.11Å; E306-F331 WeakPolarHBondContact OE2-CE1 3.41Å; E306-F331 WeakPolarHBondContact OE2-CZ 3.5Å; E306-R344 PolarHBondContact O-NH1 3.28Å
307	R	95.5	Very high	95.7	Very high	181 Å²	181	52.6 Å²	52.6	68%	0.683	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-62	-19.1	179.5	-66.3	-177	-179.4	-179.6	0.7	113.4	S305 L309 D310	S305-R307 PolarHBondContact O-N 3.19Å; S305-R307 VanDerWaalsContact O-N 3.11Å; S305-R307 PolarHBondContact OG-N 3.42Å; R307-L309 PolarHBondContact O-N 3.05Å; R307-D310 WeakPolarHBondContact CA-OD2 3.43Å; R307-D310 WeakPolarHBondContact O-CB 3.33Å; R307-D310 PolarHBondContact O-N 2.74Å
308	E	95.4	Very high	95.6	Very high	36 Å²	36	55 Å²	55	17%	0.168	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61.8	-30.1	172	-69	-61.4	134.2	0	0	111.8	R279 L280 L303 S305 E306 D310 K311	R279-E308 VanDerWaalsContact CA-OE2 3.28Å; R279-E308 WeakPolarHBondContact CA-OE2 3.11Å; L280-E308 HydrophobicContact CB-CB 4.42Å; L280-E308 HydrophobicContact CD1-CB 3.95Å; L280-E308 HydrophobicContact CG-CB 4.05Å; L280-E308 PolarHBondContact N-OE2 3.21Å; L303-E308 HydrophobicContact CD2-CB 4.42Å; L303-E308 HydrophobicContact CD2-CG 4.43Å; S305-E308 WeakPolarHBondContact O-CB 3.34Å; S305-E308 PolarHBondContact O-N 3.18Å; E306-E308 PolarHBondContact O-N 3.06Å; E306-E308 VanDerWaalsContact O-N 3.11Å; E308-D310 VanDerWaalsContact C-N 3.26Å; E308-D310 PolarHBondContact O-N 2.91Å; E308-K311 WeakPolarHBondContact O-CB 3.41Å; E308-K311 WeakPolarHBondContact O-CG 3.46Å; E308-K311 PolarHBondContact O-N 2.93Å; E308-K311 IonicContact OE1-NZ 3.15Å; E308-K311 PolarHBondContact OE1-NZ 2.76Å; E308-K311 WeakPolarHBondContact OE2-CE 3.38Å; E308-K311 IonicContact OE2-NZ 2.97Å; E308-K311 PolarHBondContact OE2-NZ 3.42Å
309	L	96.9	Very high	95.5	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-69.4	-22.1	178.4	-56	174.9	0	0	0	112.9	L280 L298 E306 R307 K311 I312 K313 L322 I341 F345	L280-L309 HydrophobicContact CD1-CD2 3.93Å; L298-L309 HydrophobicContact CD1-CD2 4.49Å; E306-L309 VanDerWaalsContact O-CB 3.26Å; E306-L309 WeakPolarHBondContact O-CB 3.33Å; E306-L309 WeakPolarHBondContact O-CG 3.45Å; E306-L309 PolarHBondContact O-N 3.23Å; R307-L309 PolarHBondContact O-N 3.05Å; L309-K311 PolarHBondContact O-N 2.88Å; L309-I312 HydrophobicContact CD2-CD1 4.08Å; L309-I312 CarbonylContact O-C 3.58Å; L309-I312 WeakPolarHBondContact O-CG1 3.32Å; L309-I312 PolarHBondContact O-N 2.61Å; L309-K313 PolarHBondContact O-N 3.39Å; L309-L322 HydrophobicContact CD1-CD1 3.84Å; L309-L322 HydrophobicContact CD2-CD2 4.04Å; L309-I341 HydrophobicContact CD1-CD1 3.36Å; L309-F345 HydrophobicContact CB-CE2 4.25Å
310	D	96.2	Very high	95.6	Very high	59 Å²	59	55.6 Å²	55.6	32%	0.316	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.4	-21.3	175.8	-69.3	-50.3	0	0	0	112.4	R307 E308 K313 R344	R307-D310 WeakPolarHBondContact CA-OD2 3.43Å; R307-D310 WeakPolarHBondContact O-CB 3.33Å; R307-D310 PolarHBondContact O-N 2.74Å; E308-D310 VanDerWaalsContact C-N 3.26Å; E308-D310 PolarHBondContact O-N 2.91Å; D310-K313 WeakPolarHBondContact O-CD 3.45Å; D310-K313 WeakPolarHBondContact O-CG 3.4Å; D310-R344 WeakPolarHBondContact OD1-CG 3.32Å; D310-R344 IonicContact OD1-CZ 3.23Å; D310-R344 IonicContact OD1-NE 3.93Å; D310-R344 IonicContact OD1-NH1 2.74Å; D310-R344 IonicContact OD1-NH2 3.4Å; D310-R344 PolarHBondContact OD1-NH2 3.05Å; D310-R344 IonicContact OD2-CZ 2.67Å; D310-R344 IonicContact OD2-NH1 3.67Å; D310-R344 IonicContact OD2-NH2 3.15Å; D310-R344 PolarHBondContact OD2-NH2 3.37Å
311	K	95.3	Very high	95.6	Very high	72 Å²	72	58 Å²	58	31%	0.313	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-79.8	-19.4	179.2	-54.8	174.3	179.6	173.7	0	112.9	L280 D281 S284 E308 L309	L280-K311 HydrophobicContact CB-CD 4.42Å; D281-K311 HydrophobicContact CB-CD 3.77Å; D281-K311 VanDerWaalsContact N-CD 3.35Å; S284-K311 WeakPolarHBondContact CB-O 3.47Å; E308-K311 WeakPolarHBondContact O-CB 3.41Å; E308-K311 WeakPolarHBondContact O-CG 3.46Å; E308-K311 PolarHBondContact O-N 2.93Å; E308-K311 IonicContact OE1-NZ 3.15Å; E308-K311 PolarHBondContact OE1-NZ 2.76Å; E308-K311 WeakPolarHBondContact OE2-CE 3.38Å; E308-K311 IonicContact OE2-NZ 2.97Å; E308-K311 PolarHBondContact OE2-NZ 3.42Å; L309-K311 PolarHBondContact O-N 2.88Å
312	I	96.1	Very high	95.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	6	-178.9	56.1	159.4	0	0	0	113.3	L280 M283 I286 L296 L298 L309 G314 L315 F345	L280-I312 HydrophobicContact CD1-CD1 3.95Å; L280-I312 HydrophobicContact CD1-CG1 4.23Å; M283-I312 HydrophobicContact CG-CG2 4.18Å; I286-I312 HydrophobicContact CG2-CG2 4.07Å; L296-I312 HydrophobicContact CD2-CD1 3.87Å; L298-I312 HydrophobicContact CD1-CD1 4.18Å; L309-I312 HydrophobicContact CD2-CD1 4.08Å; L309-I312 CarbonylContact O-C 3.58Å; L309-I312 WeakPolarHBondContact O-CG1 3.32Å; L309-I312 PolarHBondContact O-N 2.61Å; I312-G314 PolarHBondContact O-N 2.7Å; I312-L315 HydrophobicContact CB-CD1 4.35Å; I312-L315 PolarHBondContact O-N 3.22Å; I312-F345 HydrophobicContact CD1-CZ 4.13Å; I312-F345 HydrophobicContact CG1-CZ 4.05Å; I312-F345 WeakPolarHBondContact O-CE1 3.25Å
313	K	94.5	Very high	95.8	Very high	122 Å²	122	57.9 Å²	57.9	53%	0.53	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-11.8	179.9	73.7	-177.8	178	-179.4	0	115.9	L309 D310 R344	L309-K313 PolarHBondContact O-N 3.39Å; D310-K313 WeakPolarHBondContact O-CD 3.45Å; D310-K313 WeakPolarHBondContact O-CG 3.4Å; K313-R344 HydrophobicContact CB-CB 4.12Å
314	G	93.8	Very high	95.7	Very high	46 Å²	46	60.5 Å²	60.5	47%	0.474	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.9	174.9	0	0	0	0	0	113.7	I312	I312-G314 PolarHBondContact O-N 2.7Å
315	L	95	Very high	95.9	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.047	27%	0.269	C	S	.	.	S	Bend	trans	-71.3	144.2	175.4	-64.8	172.6	0	0	0	111.1	I286 V287 L293 L296 I312 L317 F345	I286-L315 HydrophobicContact CG2-CD1 3.87Å; I286-L315 HydrophobicContact CG2-CD2 4.3Å; I286-L315 HydrophobicContact CG2-CG 4.28Å; V287-L315 HydrophobicContact CG2-CD2 4.3Å; V287-L315 HydrophobicContact CG2-CG 4.12Å; L293-L315 HydrophobicContact CB-CD2 4.47Å; L293-L315 HydrophobicContact CD2-CD1 4.27Å; L296-L315 HydrophobicContact CD2-CD1 4.28Å; I312-L315 HydrophobicContact CB-CD1 4.35Å; I312-L315 PolarHBondContact O-N 3.22Å; L315-L317 HydrophobicContact CB-CD1 4.49Å; L315-L317 HydrophobicContact CB-CD2 4.19Å; L315-L317 HydrophobicContact CB-CG 3.92Å; L315-L317 HydrophobicContact CD1-CD1 4.5Å; L315-L317 HydrophobicContact CD1-CD2 4.32Å; L315-L317 PolarHBondContact O-N 3.31Å; L315-F345 HydrophobicContact CB-CE1 4.18Å; L315-F345 WeakPolarHBondContact O-CD1 3.44Å
316	K	93.5	Very high	95.8	Very high	146 Å²	146	53.2 Å²	53.2	64%	0.635	27%	0.271	S	S	*	.			trans	-102.1	63.2	177.5	-64.3	176.6	-176.2	170.5	0	110.1
317	L	96.3	Very high	95.8	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.26	C	S	.	.			trans	-69.9	140.9	-176.6	-59.9	175.8	0	0	0	112	L293 K294 L296 L315 L320 F345 L348	L293-L317 HydrophobicContact CD2-CD2 4.43Å; L293-L317 HydrophobicContact CG-CD2 4.36Å; K294-L317 CarbonylContact O-C 3.36Å; K294-L317 WeakPolarHBondContact O-CA 3.49Å; L296-L317 HydrophobicContact CB-CD1 3.83Å; L296-L317 HydrophobicContact CB-CD2 3.85Å; L296-L317 HydrophobicContact CD2-CD1 4.05Å; L315-L317 HydrophobicContact CB-CD1 4.49Å; L315-L317 HydrophobicContact CB-CD2 4.19Å; L315-L317 HydrophobicContact CB-CG 3.92Å; L315-L317 HydrophobicContact CD1-CD1 4.5Å; L315-L317 HydrophobicContact CD1-CD2 4.32Å; L315-L317 PolarHBondContact O-N 3.31Å; L317-L320 HydrophobicContact CD1-CD1 4.11Å; L317-F345 HydrophobicContact CB-CD1 4.4Å; L317-F345 HydrophobicContact CD1-CD1 4.15Å; L317-F345 HydrophobicContact CD1-CE1 3.87Å; L317-F345 HydrophobicContact CD1-CZ 4.05Å; L317-F345 HydrophobicContact CG-CD1 4.31Å; L317-F345 HydrophobicContact CG-CE1 4.27Å; L317-L348 HydrophobicContact CB-CD1 3.94Å
318	E	96	Very high	95.8	Very high	77 Å²	77	44.1 Å²	44.1	36%	0.36	24%	0.24	S	C	.	.	S	Bend	trans	-98.3	-31.7	169.4	-67	177.4	-167.8	0	0	110.7	K294 L349 R350	K294-E318 HydrophobicContact CB-CB 4.45Å; K294-E318 HydrophobicContact CB-CG 4.39Å; K294-E318 HydrophobicContact CD-CG 4.49Å; K294-E318 WeakPolarHBondContact CD-OE1 3.25Å; K294-E318 VanDerWaalsContact CE-OE1 3.25Å; K294-E318 WeakPolarHBondContact CE-OE1 3.42Å; K294-E318 HydrophobicContact CG-CG 4.43Å; K294-E318 IonicContact NZ-OE1 2.7Å; K294-E318 PolarHBondContact NZ-OE1 2.78Å; K294-E318 IonicContact NZ-OE2 3.14Å; K294-E318 PolarHBondContact O-N 2.85Å; E318-L349 WeakPolarHBondContact O-CA 3.26Å; E318-L349 PolarHBondContact O-N 3.27Å; E318-R350 PolarHBondContact O-N 2.97Å
319	E	97.7	Very high	95.7	Very high	36 Å²	36	49 Å²	49	17%	0.168	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.9	178.1	-177.6	168.6	161.4	0	0	112.2	K294 I295 L296 W321 R350	K294-E319 PolarHBondContact O-N 3.41Å; K294-E319 VanDerWaalsContact O-N 3.13Å; I295-E319 WeakPolarHBondContact CA-O 3.39Å; I295-E319 HydrophobicContact CB-CB 4.44Å; I295-E319 HydrophobicContact CG1-CB 4.11Å; I295-E319 HydrophobicContact CG2-CB 4.07Å; I295-E319 HydrophobicContact CG2-CG 4.21Å; L296-E319 PolarHBondContact N-O 3.03Å; E319-W321 WeakPolarHBondContact OE1-CZ2 3.28Å; E319-W321 PolarHBondContact OE1-NE1 3.36Å; E319-R350 WeakPolarHBondContact CA-O 3.49Å; E319-R350 HydrophobicContact CB-CB 4.03Å; E319-R350 HydrophobicContact CG-CB 3.72Å; E319-R350 WeakPolarHBondContact OE2-CD 3.48Å
320	L	98.2	Very high	95.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.3	-178.3	178.3	63.3	0	0	0	110.1	L296 L317 L322 I341 F345 L348 R350 L351 D352	L296-L320 HydrophobicContact CB-CD1 4.18Å; L296-L320 HydrophobicContact CD2-CD1 4.28Å; L296-L320 HydrophobicContact CG-CD1 4.24Å; L296-L320 VanDerWaalsContact O-CA 3.3Å; L296-L320 WeakPolarHBondContact O-CA 3.29Å; L296-L320 WeakPolarHBondContact O-CD1 3.3Å; L317-L320 HydrophobicContact CD1-CD1 4.11Å; L320-L322 HydrophobicContact CD1-CD2 4.27Å; L320-L322 HydrophobicContact CD1-CG 4.46Å; L320-L322 HydrophobicContact CD2-CD1 3.98Å; L320-L322 HydrophobicContact CD2-CD2 4.43Å; L320-L322 HydrophobicContact CD2-CG 4.13Å; L320-L322 HydrophobicContact CG-CD1 4.43Å; L320-L322 HydrophobicContact CG-CD2 4.38Å; L320-L322 HydrophobicContact CG-CG 4.06Å; L320-I341 HydrophobicContact CD2-CG2 3.93Å; L320-F345 HydrophobicContact CD2-CD2 3.96Å; L320-F345 HydrophobicContact CD2-CE2 3.96Å; L320-L348 HydrophobicContact CB-CD1 3.67Å; L320-L348 HydrophobicContact CB-CD2 3.97Å; L320-L348 HydrophobicContact CB-CG 4.48Å; L320-R350 PolarHBondContact N-O 2.94Å; L320-L351 HydrophobicContact CB-CD1 4.27Å; L320-L351 HydrophobicContact CD2-CD1 4.44Å; L320-L351 HydrophobicContact CG-CD1 4.32Å; L320-L351 CarbonylContact O-C 3.35Å; L320-L351 VanDerWaalsContact O-CA 3.31Å; L320-L351 WeakPolarHBondContact O-CA 3.29Å; L320-L351 WeakPolarHBondContact O-CD1 3.47Å; L320-D352 PolarHBondContact O-N 3.46Å
321	W	98.4	Very high	95.5	Very high	75 Å²	75	51.9 Å²	51.9	28%	0.284	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.7	173	-59.6	70.9	0	0	0	110.1	L296 N297 L298 S299 E319 D352 G353	L296-W321 PolarHBondContact O-N 3.26Å; N297-W321 HydrophobicContact CB-CB 4.08Å; N297-W321 HydrophobicContact CB-CG 4.24Å; N297-W321 WeakPolarHBondContact OD1-CB 3.43Å; L298-W321 CarbonylContact C-O 3.57Å; L298-W321 WeakPolarHBondContact CA-O 2.88Å; L298-W321 PolarHBondContact N-O 3.34Å; S299-W321 PolarHBondContact N-O 3.33Å; E319-W321 WeakPolarHBondContact OE1-CZ2 3.28Å; E319-W321 PolarHBondContact OE1-NE1 3.36Å; W321-D352 WeakPolarHBondContact CA-OD1 3.45Å; W321-D352 VanDerWaalsContact CZ3-C 3.46Å; W321-G353 VanDerWaalsContact CZ2-CA 3.48Å
322	L	97.8	Very high	95.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.			trans	-124.5	-0.1	175.4	-58.9	171.1	0	0	0	112.1	L298 L309 L320 N325 Y337 I341 L351 D352	L298-L322 HydrophobicContact CB-CD2 4.12Å; L298-L322 HydrophobicContact CD1-CD2 4.17Å; L309-L322 HydrophobicContact CD1-CD1 3.84Å; L309-L322 HydrophobicContact CD2-CD2 4.04Å; L320-L322 HydrophobicContact CD1-CD2 4.27Å; L320-L322 HydrophobicContact CD1-CG 4.46Å; L320-L322 HydrophobicContact CD2-CD1 3.98Å; L320-L322 HydrophobicContact CD2-CD2 4.43Å; L320-L322 HydrophobicContact CD2-CG 4.13Å; L320-L322 HydrophobicContact CG-CD1 4.43Å; L320-L322 HydrophobicContact CG-CD2 4.38Å; L320-L322 HydrophobicContact CG-CG 4.06Å; L322-N325 WeakPolarHBondContact O-CB 3.26Å; L322-N325 PolarHBondContact O-N 2.87Å; L322-N325 PolarHBondContact O-ND2 3.47Å; L322-Y337 WeakPolarHBondContact CB-OH 3.39Å; L322-Y337 HydrophobicContact CD1-CE2 4.29Å; L322-I341 HydrophobicContact CD1-CD1 3.44Å; L322-I341 VanDerWaalsContact CD1-CD1 3.44Å; L322-I341 HydrophobicContact CD1-CG1 4.13Å; L322-L351 HydrophobicContact CD1-CD1 4.47Å; L322-D352 PolarHBondContact N-OD1 3.4Å
323	D	96.4	Very high	95.2	Very high	100 Å²	100	63.3 Å²	63.3	54%	0.535	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	142.8	177.5	-174.9	34.1	0	0	0	113.1	S299 G300 N325 D352	S299-D323 CarbonylContact C-O 3.59Å; S299-D323 WeakPolarHBondContact CA-O 3.5Å; S299-D323 WeakPolarHBondContact CB-O 2.71Å; G300-D323 PolarHBondContact N-O 2.94Å; D323-N325 VanDerWaalsContact C-N 3.27Å; D323-N325 PolarHBondContact O-N 3.49Å; D323-D352 HydrophobicContact CB-CB 4.42Å; D323-D352 PolarHBondContact N-OD1 3.37Å
324	G	94.9	Very high	95.1	Very high	55 Å²	55	63.6 Å²	63.6	57%	0.567	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	9	-177.2	0	0	0	0	0	116.2
325	N	96.5	Very high	95.1	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.016	34%	0.338	C	S	.	.			trans	-91	142.2	168	-73	-90.1	0	0	0	111.2	L298 N301 L303 L322 D323 L327 C328	L298-N325 PolarHBondContact O-ND2 2.89Å; N301-N325 WeakPolarHBondContact CA-OD1 3.27Å; N301-N325 VanDerWaalsContact CB-OD1 3.25Å; N301-N325 WeakPolarHBondContact CB-OD1 3.41Å; N301-N325 PolarHBondContact N-OD1 3.21Å; N301-N325 PolarHBondContact O-OD1 3.5Å; N301-N325 VanDerWaalsContact O-OD1 3.1Å; L303-N325 HydrophobicContact CB-CB 4.32Å; L303-N325 WeakPolarHBondContact CB-OD1 3.43Å; L303-N325 WeakPolarHBondContact CG-OD1 3.38Å; L303-N325 PolarHBondContact N-OD1 3.09Å; L322-N325 WeakPolarHBondContact O-CB 3.26Å; L322-N325 PolarHBondContact O-N 2.87Å; L322-N325 PolarHBondContact O-ND2 3.47Å; D323-N325 VanDerWaalsContact C-N 3.27Å; D323-N325 PolarHBondContact O-N 3.49Å; N325-L327 HydrophobicContact CB-CD2 4.16Å; N325-L327 HydrophobicContact CB-CG 4.03Å; N325-L327 PolarHBondContact O-N 3.36Å; N325-C328 WeakPolarHBondContact O-CB 3.18Å; N325-C328 PolarHBondContact O-N 2.86Å
326	S	93.7	Very high	95	Very high	51 Å²	51	68.2 Å²	68.2	36%	0.357	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.6	179.3	55.4	0	0	0	0	115.3	L303 K304 C328 D329	L303-S326 PolarHBondContact O-N 2.98Å; L303-S326 PolarHBondContact O-OG 3.34Å; K304-S326 WeakPolarHBondContact CA-OG 3.33Å; S326-C328 PolarHBondContact O-N 2.92Å; S326-D329 PolarHBondContact O-N 3.21Å
327	L	94.8	Very high	95.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.4	173.3	69.8	88.2	0	0	0	112.2	L303 N325 D329 T330 F331 Y337	L303-L327 HydrophobicContact CB-CD2 3.77Å; L303-L327 PolarHBondContact O-N 3.35Å; N325-L327 HydrophobicContact CB-CD2 4.16Å; N325-L327 HydrophobicContact CB-CG 4.03Å; N325-L327 PolarHBondContact O-N 3.36Å; L327-D329 PolarHBondContact O-N 3.05Å; L327-T330 WeakPolarHBondContact O-CB 3.48Å; L327-T330 PolarHBondContact O-N 3.4Å; L327-T330 VanDerWaalsContact O-N 3.13Å; L327-T330 PolarHBondContact O-OG1 3.11Å; L327-F331 HydrophobicContact CD1-CE2 3.96Å; L327-F331 WeakPolarHBondContact O-CD2 3.15Å; L327-F331 WeakPolarHBondContact O-CE2 3.28Å; L327-Y337 HydrophobicContact CD1-CE2 4.28Å
328	C	93.6	Very high	95.1	Very high	37 Å²	37	63.8 Å²	63.8	25%	0.25	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-64.7	-33.4	-177.1	-61.7	0	0	0	0	111.2	N325 S326 T330 F331	N325-C328 WeakPolarHBondContact O-CB 3.18Å; N325-C328 PolarHBondContact O-N 2.86Å; S326-C328 PolarHBondContact O-N 2.92Å; C328-T330 PolarHBondContact O-N 3.13Å; C328-F331 PolarHBondContact O-N 3.27Å
329	D	93.6	Very high	94.9	Very high	140 Å²	140	64 Å²	64	75%	0.749	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-67.8	-14	178.5	-55.5	-42.3	0	0	0	113.5	S326 L327	S326-D329 PolarHBondContact O-N 3.21Å; L327-D329 PolarHBondContact O-N 3.05Å
330	T	93.8	Very high	94.8	Very high	88 Å²	88	62.8 Å²	62.8	54%	0.54	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-83.2	-16	-178.4	69.3	0	0	0	0	113.5	L327 C328	L327-T330 WeakPolarHBondContact O-CB 3.48Å; L327-T330 PolarHBondContact O-N 3.4Å; L327-T330 VanDerWaalsContact O-N 3.13Å; L327-T330 PolarHBondContact O-OG1 3.11Å; C328-T330 PolarHBondContact O-N 3.13Å
331	F	94.7	Very high	94.7	Very high	31 Å²	31	62.8 Å²	62.8	14%	0.136	34%	0.344	C	S	.	.			trans	-89.5	135.6	179.7	-60.4	-76.3	0	0	0	111.3	E306 L327 C328 D333 T336 Y337 A340	E306-F331 HydrophobicContact CB-CZ 4.11Å; E306-F331 WeakPolarHBondContact OE2-CE1 3.41Å; E306-F331 WeakPolarHBondContact OE2-CZ 3.5Å; L327-F331 HydrophobicContact CD1-CE2 3.96Å; L327-F331 WeakPolarHBondContact O-CD2 3.15Å; L327-F331 WeakPolarHBondContact O-CE2 3.28Å; C328-F331 PolarHBondContact O-N 3.27Å; F331-D333 VanDerWaalsContact C-N 3.35Å; F331-T336 HydrophobicContact CD1-CG2 3.92Å; F331-T336 HydrophobicContact CE1-CG2 4.49Å; F331-Y337 AromaticContact CD2-CD2 3.6Å; F331-Y337 HydrophobicContact CD2-CD2 3.6Å; F331-Y337 HydrophobicContact CD2-CE2 4.47Å; F331-Y337 HydrophobicContact CD2-CG 4.12Å; F331-Y337 AromaticContact CE2-CD2 3.42Å; F331-Y337 HydrophobicContact CE2-CD2 3.42Å; F331-Y337 VanDerWaalsContact CE2-CD2 3.42Å; F331-Y337 HydrophobicContact CE2-CE2 4.1Å; F331-Y337 HydrophobicContact CE2-CG 4.35Å; F331-Y337 HydrophobicContact CG-CD2 4.29Å; F331-Y337 HydrophobicContact CG-CG 4.48Å; F331-Y337 AromaticContact CZ-CD2 3.96Å; F331-Y337 HydrophobicContact CZ-CD2 3.96Å; F331-A340 HydrophobicContact CE1-CB 3.62Å; F331-A340 HydrophobicContact CZ-CB 3.9Å
332	R	93.4	Very high	94.5	Very high	249 Å²	249	61.1 Å²	61.1	94%	0.94	34%	0.338	S	S	*	.	S	Bend	trans	-74	-28.8	179.3	-65.2	-178.2	-179.5	-179.4	-0.3	113
333	D	93	Very high	94.3	Very high	64 Å²	64	68 Å²	68	34%	0.342	37%	0.37	S	S	.	.	S	Bend	trans	-155.2	155	-168.6	64	-64.1	0	0	0	110.5	F331 S335 T336 Y337	F331-D333 VanDerWaalsContact C-N 3.35Å; D333-S335 VanDerWaalsContact C-N 3.29Å; D333-S335 PolarHBondContact O-N 3.46Å; D333-S335 WeakPolarHBondContact OD2-CB 3.25Å; D333-S335 PolarHBondContact OD2-N 3.3Å; D333-S335 PolarHBondContact OD2-OG 3.14Å; D333-T336 VanDerWaalsContact CG-OG1 3.28Å; D333-T336 PolarHBondContact O-N 3.3Å; D333-T336 VanDerWaalsContact OD1-CB 3.28Å; D333-T336 WeakPolarHBondContact OD1-CB 3.23Å; D333-T336 PolarHBondContact OD1-OG1 2.93Å; D333-T336 PolarHBondContact OD2-N 2.87Å; D333-T336 PolarHBondContact OD2-OG1 2.79Å; D333-Y337 PolarHBondContact O-N 3.15Å
334	Q	92.5	Very high	94.2	Very high	127 Å²	127	64.2 Å²	64.2	59%	0.593	35%	0.348	S	S	*	.	H	α-helix	trans	-64.1	-31.3	-177.4	-169.4	179.9	-8.7	0	0	112.6	Y337 I338	Q334-Y337 PolarHBondContact O-N 2.91Å; Q334-I338 HydrophobicContact CG-CD1 3.81Å; Q334-I338 HydrophobicContact CG-CG1 4.27Å; Q334-I338 WeakPolarHBondContact O-CB 2.89Å; Q334-I338 VanDerWaalsContact O-CG1 3.25Å; Q334-I338 WeakPolarHBondContact O-CG1 3.32Å; Q334-I338 PolarHBondContact O-N 3.38Å
335	S	92.4	Very high	94.2	Very high	83 Å²	83	61.8 Å²	61.8	58%	0.58	32%	0.322	S	S	*	.	H	α-helix	trans	-65.9	-43.6	177.4	23.5	0	0	0	0	112.5	D333 Y337 I338 S339	D333-S335 VanDerWaalsContact C-N 3.29Å; D333-S335 PolarHBondContact O-N 3.46Å; D333-S335 WeakPolarHBondContact OD2-CB 3.25Å; D333-S335 PolarHBondContact OD2-N 3.3Å; D333-S335 PolarHBondContact OD2-OG 3.14Å; S335-Y337 VanDerWaalsContact C-N 3.31Å; S335-Y337 PolarHBondContact O-N 2.97Å; S335-I338 PolarHBondContact O-N 2.82Å; S335-S339 WeakPolarHBondContact O-CB 3.48Å; S335-S339 PolarHBondContact O-N 3.21Å
336	T	94.8	Very high	94	Very high	69 Å²	69	65.3 Å²	65.3	42%	0.423	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-41.6	175	-56.7	0	0	0	0	111	F331 D333 S339 A340	F331-T336 HydrophobicContact CD1-CG2 3.92Å; F331-T336 HydrophobicContact CE1-CG2 4.49Å; D333-T336 VanDerWaalsContact CG-OG1 3.28Å; D333-T336 PolarHBondContact O-N 3.3Å; D333-T336 VanDerWaalsContact OD1-CB 3.28Å; D333-T336 WeakPolarHBondContact OD1-CB 3.23Å; D333-T336 PolarHBondContact OD1-OG1 2.93Å; D333-T336 PolarHBondContact OD2-N 2.87Å; D333-T336 PolarHBondContact OD2-OG1 2.79Å; T336-S339 PolarHBondContact O-N 3.46Å; T336-A340 VanDerWaalsContact O-CB 3.31Å; T336-A340 WeakPolarHBondContact O-CB 3.41Å; T336-A340 PolarHBondContact O-N 3.45Å
337	Y	96	Very high	93.8	Very high	24 Å²	24	69.3 Å²	69.3	9%	0.094	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-53.4	174.5	174.3	-130.2	0	0	0	112	L322 L327 F331 D333 Q334 S335 S339 A340 I341 L351 D352	L322-Y337 WeakPolarHBondContact CB-OH 3.39Å; L322-Y337 HydrophobicContact CD1-CE2 4.29Å; L327-Y337 HydrophobicContact CD1-CE2 4.28Å; F331-Y337 AromaticContact CD2-CD2 3.6Å; F331-Y337 HydrophobicContact CD2-CD2 3.6Å; F331-Y337 HydrophobicContact CD2-CE2 4.47Å; F331-Y337 HydrophobicContact CD2-CG 4.12Å; F331-Y337 AromaticContact CE2-CD2 3.42Å; F331-Y337 HydrophobicContact CE2-CD2 3.42Å; F331-Y337 VanDerWaalsContact CE2-CD2 3.42Å; F331-Y337 HydrophobicContact CE2-CE2 4.1Å; F331-Y337 HydrophobicContact CE2-CG 4.35Å; F331-Y337 HydrophobicContact CG-CD2 4.29Å; F331-Y337 HydrophobicContact CG-CG 4.48Å; F331-Y337 AromaticContact CZ-CD2 3.96Å; F331-Y337 HydrophobicContact CZ-CD2 3.96Å; D333-Y337 PolarHBondContact O-N 3.15Å; Q334-Y337 PolarHBondContact O-N 2.91Å; S335-Y337 VanDerWaalsContact C-N 3.31Å; S335-Y337 PolarHBondContact O-N 2.97Å; Y337-S339 VanDerWaalsContact C-N 3.33Å; Y337-S339 PolarHBondContact O-N 2.73Å; Y337-A340 PolarHBondContact O-N 3Å; Y337-I341 HydrophobicContact CD2-CD1 4.32Å; Y337-I341 HydrophobicContact CD2-CG1 3.9Å; Y337-I341 HydrophobicContact CE2-CD1 3.86Å; Y337-I341 HydrophobicContact CE2-CG1 3.6Å; Y337-I341 WeakPolarHBondContact O-CG1 3.36Å; Y337-I341 PolarHBondContact O-N 3.24Å; Y337-L351 HydrophobicContact CD1-CD2 4.07Å; Y337-L351 HydrophobicContact CE1-CD2 3.52Å; Y337-L351 HydrophobicContact CE1-CG 4Å; Y337-L351 HydrophobicContact CE2-CD2 4.5Å; Y337-D352 VanDerWaalsContact CE1-OD2 3.29Å; Y337-D352 WeakPolarHBondContact CE1-OD2 3.38Å; Y337-D352 PolarHBondContact OH-OD2 3.32Å
338	I	94.3	Very high	93.8	Very high	30 Å²	30	69.3 Å²	69.3	15%	0.154	36%	0.356	C	S	.	.	H	α-helix	trans	-58.7	-44.2	179.2	-68.9	167.5	0	0	0	111.1	Q334 S335 I341 R342 L351 L356	Q334-I338 HydrophobicContact CG-CD1 3.81Å; Q334-I338 HydrophobicContact CG-CG1 4.27Å; Q334-I338 WeakPolarHBondContact O-CB 2.89Å; Q334-I338 VanDerWaalsContact O-CG1 3.25Å; Q334-I338 WeakPolarHBondContact O-CG1 3.32Å; Q334-I338 PolarHBondContact O-N 3.38Å; S335-I338 PolarHBondContact O-N 2.82Å; I338-I341 PolarHBondContact O-N 2.96Å; I338-R342 HydrophobicContact CG2-CG 4.32Å; I338-R342 WeakPolarHBondContact O-CB 3.32Å; I338-R342 WeakPolarHBondContact O-CG 3.25Å; I338-R342 PolarHBondContact O-N 2.99Å; I338-L351 HydrophobicContact CG1-CD2 4.38Å; I338-L356 HydrophobicContact CD1-CD2 3.72Å; I338-L356 HydrophobicContact CG1-CD2 3.75Å; I338-L356 HydrophobicContact CG2-CD1 4.38Å; I338-L356 HydrophobicContact CG2-CD2 3.98Å
339	S	93.2	Very high	93.9	Very high	81 Å²	81	71.4 Å²	71.4	57%	0.566	36%	0.364	S	S	*	.	H	α-helix	trans	-63.6	-43.3	179	-173	0	0	0	0	111.7	S335 T336 Y337 I341 R342 E343	S335-S339 WeakPolarHBondContact O-CB 3.48Å; S335-S339 PolarHBondContact O-N 3.21Å; T336-S339 PolarHBondContact O-N 3.46Å; Y337-S339 VanDerWaalsContact C-N 3.33Å; Y337-S339 PolarHBondContact O-N 2.73Å; S339-I341 VanDerWaalsContact C-N 3.35Å; S339-I341 PolarHBondContact O-N 3.22Å; S339-R342 PolarHBondContact O-N 3.05Å; S339-E343 PolarHBondContact O-N 3.12Å
340	A	95.5	Very high	94	Very high	11 Å²	11	70 Å²	70	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-62.2	-42.3	177.1	0	0	0	0	0	111.1	F331 T336 Y337 R344	F331-A340 HydrophobicContact CE1-CB 3.62Å; F331-A340 HydrophobicContact CZ-CB 3.9Å; T336-A340 VanDerWaalsContact O-CB 3.31Å; T336-A340 WeakPolarHBondContact O-CB 3.41Å; T336-A340 PolarHBondContact O-N 3.45Å; Y337-A340 PolarHBondContact O-N 3Å; A340-R344 WeakPolarHBondContact O-CD 3.43Å; A340-R344 PolarHBondContact O-NE 3.02Å
341	I	95.6	Very high	94.2	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-42.1	176.1	-58.6	-48.9	0	0	0	111.7	L309 L320 L322 Y337 I338 S339 E343 R344 F345 L348 L351	L309-I341 HydrophobicContact CD1-CD1 3.36Å; L320-I341 HydrophobicContact CD2-CG2 3.93Å; L322-I341 HydrophobicContact CD1-CD1 3.44Å; L322-I341 VanDerWaalsContact CD1-CD1 3.44Å; L322-I341 HydrophobicContact CD1-CG1 4.13Å; Y337-I341 HydrophobicContact CD2-CD1 4.32Å; Y337-I341 HydrophobicContact CD2-CG1 3.9Å; Y337-I341 HydrophobicContact CE2-CD1 3.86Å; Y337-I341 HydrophobicContact CE2-CG1 3.6Å; Y337-I341 WeakPolarHBondContact O-CG1 3.36Å; Y337-I341 PolarHBondContact O-N 3.24Å; I338-I341 PolarHBondContact O-N 2.96Å; S339-I341 VanDerWaalsContact C-N 3.35Å; S339-I341 PolarHBondContact O-N 3.22Å; I341-E343 VanDerWaalsContact C-N 3.33Å; I341-E343 PolarHBondContact O-N 3Å; I341-R344 PolarHBondContact O-N 3.12Å; I341-F345 HydrophobicContact CG2-CD2 4.31Å; I341-F345 PolarHBondContact O-N 3.42Å; I341-L348 HydrophobicContact CG2-CD2 3.72Å; I341-L351 HydrophobicContact CB-CD2 4.16Å; I341-L351 HydrophobicContact CG1-CD2 3.97Å; I341-L351 HydrophobicContact CG2-CD1 4.24Å; I341-L351 HydrophobicContact CG2-CD2 4.27Å
342	R	93.1	Very high	94.3	Very high	41 Å²	41	65.9 Å²	65.9	16%	0.155	32%	0.324	C	S	.	.	H	α-helix	trans	-68	-26.3	-179.5	-80.9	-167.7	160.2	-158.3	-9.3	114.8	I338 S339 R344 F345 P346 L348 P357 P358	I338-R342 HydrophobicContact CG2-CG 4.32Å; I338-R342 WeakPolarHBondContact O-CB 3.32Å; I338-R342 WeakPolarHBondContact O-CG 3.25Å; I338-R342 PolarHBondContact O-N 2.99Å; S339-R342 PolarHBondContact O-N 3.05Å; R342-R344 PolarHBondContact O-N 3Å; R342-F345 CarbonylContact O-C 3.52Å; R342-P346 VanDerWaalsContact O-CA 3.25Å; R342-P346 WeakPolarHBondContact O-CA 3.37Å; R342-P346 WeakPolarHBondContact O-CD 3.41Å; R342-P346 WeakPolarHBondContact O-CG 3.28Å; R342-P346 VanDerWaalsContact O-N 3.11Å; R342-L348 PolarHBondContact NH2-O 3.32Å; R342-P357 PolarHBondContact NH1-O 3.39Å; R342-P357 PolarHBondContact NH2-O 3.46Å; R342-P358 PolarHBondContact NH1-O 3.06Å
343	E	93.9	Very high	94.3	Very high	144 Å²	144	55.5 Å²	55.5	67%	0.673	30%	0.295	S	S	*	.	H	α-helix	trans	-57.6	-29.9	170.7	179.7	-168.5	-156.2	0	0	111.2	S339 I341	S339-E343 PolarHBondContact O-N 3.12Å; I341-E343 VanDerWaalsContact C-N 3.33Å; I341-E343 PolarHBondContact O-N 3Å
344	R	94.7	Very high	94.4	Very high	21 Å²	21	58.4 Å²	58.4	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-100.7	-34.3	-176.3	-62.7	81.9	-178.8	-66.8	-16.3	111.7	E306 D310 K313 A340 I341 R342	E306-R344 PolarHBondContact O-NH1 3.28Å; D310-R344 WeakPolarHBondContact OD1-CG 3.32Å; D310-R344 IonicContact OD1-CZ 3.23Å; D310-R344 IonicContact OD1-NE 3.93Å; D310-R344 IonicContact OD1-NH1 2.74Å; D310-R344 IonicContact OD1-NH2 3.4Å; D310-R344 PolarHBondContact OD1-NH2 3.05Å; D310-R344 IonicContact OD2-CZ 2.67Å; D310-R344 IonicContact OD2-NH1 3.67Å; D310-R344 IonicContact OD2-NH2 3.15Å; D310-R344 PolarHBondContact OD2-NH2 3.37Å; K313-R344 HydrophobicContact CB-CB 4.12Å; A340-R344 WeakPolarHBondContact O-CD 3.43Å; A340-R344 PolarHBondContact O-NE 3.02Å; I341-R344 PolarHBondContact O-N 3.12Å; R342-R344 PolarHBondContact O-N 3Å
345	F	95	Very high	94.5	Very high	3 Å²	3	59.5 Å²	59.5	1%	0.013	31%	0.311	C	S	.	.			trans	-125.7	76.4	175.7	-55.1	-72.1	0	0	0	111.1	L309 I312 L315 L317 L320 I341 R342 K347 L348	L309-F345 HydrophobicContact CB-CE2 4.25Å; I312-F345 HydrophobicContact CD1-CZ 4.13Å; I312-F345 HydrophobicContact CG1-CZ 4.05Å; I312-F345 WeakPolarHBondContact O-CE1 3.25Å; L315-F345 HydrophobicContact CB-CE1 4.18Å; L315-F345 WeakPolarHBondContact O-CD1 3.44Å; L317-F345 HydrophobicContact CB-CD1 4.4Å; L317-F345 HydrophobicContact CD1-CD1 4.15Å; L317-F345 HydrophobicContact CD1-CE1 3.87Å; L317-F345 HydrophobicContact CD1-CZ 4.05Å; L317-F345 HydrophobicContact CG-CD1 4.31Å; L317-F345 HydrophobicContact CG-CE1 4.27Å; L320-F345 HydrophobicContact CD2-CD2 3.96Å; L320-F345 HydrophobicContact CD2-CE2 3.96Å; I341-F345 HydrophobicContact CG2-CD2 4.31Å; I341-F345 PolarHBondContact O-N 3.42Å; R342-F345 CarbonylContact O-C 3.52Å; F345-K347 PolarHBondContact O-N 3.01Å; F345-K347 VanDerWaalsContact O-N 3.11Å; F345-L348 HydrophobicContact CB-CB 4.06Å; F345-L348 VanDerWaalsContact O-CB 3.28Å; F345-L348 WeakPolarHBondContact O-CB 3.28Å; F345-L348 PolarHBondContact O-N 2.75Å; F345-L348 VanDerWaalsContact O-N 3.13Å
346	P	92.6	Very high	94.5	Very high	78 Å²	78	56.1 Å²	56.1	51%	0.506	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.1	-176.6	-24.7	33.6	0	0	0	114.1	R342 P359	R342-P346 VanDerWaalsContact O-CA 3.25Å; R342-P346 WeakPolarHBondContact O-CA 3.37Å; R342-P346 WeakPolarHBondContact O-CD 3.41Å; R342-P346 WeakPolarHBondContact O-CG 3.28Å; R342-P346 VanDerWaalsContact O-N 3.11Å; P346-P359 VanDerWaalsContact O-CB 3.28Å; P346-P359 WeakPolarHBondContact O-CB 3.48Å; P346-P359 WeakPolarHBondContact O-CG 3.07Å
347	K	90.2	Very high	94.2	Very high	135 Å²	135	57 Å²	57	59%	0.587	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	0.6	-178.3	-62.2	-168.2	174.3	-161.9	0	114.1	F345 L349	F345-K347 PolarHBondContact O-N 3.01Å; F345-K347 VanDerWaalsContact O-N 3.11Å; K347-L349 PolarHBondContact O-N 3.28Å
348	L	94	Very high	93.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.323	C	S	.	.			trans	-66.4	126	-175.6	-165.1	75.7	0	0	0	111.3	L317 L320 I341 R342 F345 R350 L351 L356	L317-L348 HydrophobicContact CB-CD1 3.94Å; L320-L348 HydrophobicContact CB-CD1 3.67Å; L320-L348 HydrophobicContact CB-CD2 3.97Å; L320-L348 HydrophobicContact CB-CG 4.48Å; I341-L348 HydrophobicContact CG2-CD2 3.72Å; R342-L348 PolarHBondContact NH2-O 3.32Å; F345-L348 HydrophobicContact CB-CB 4.06Å; F345-L348 VanDerWaalsContact O-CB 3.28Å; F345-L348 WeakPolarHBondContact O-CB 3.28Å; F345-L348 PolarHBondContact O-N 2.75Å; F345-L348 VanDerWaalsContact O-N 3.13Å; L348-R350 WeakPolarHBondContact CG-O 3.27Å; L348-L351 HydrophobicContact CD2-CB 4.1Å; L348-L351 HydrophobicContact CD2-CD1 4.17Å; L348-L356 HydrophobicContact CB-CD1 4.48Å; L348-L356 HydrophobicContact CD2-CD1 4.04Å; L348-L356 HydrophobicContact CG-CD1 4.31Å
349	L	94.6	Very high	92.8	Very high	80 Å²	80	61.9 Å²	61.9	42%	0.419	33%	0.33	S	S	.	.			trans	-99.6	-33.6	-179.4	-59.1	179.3	0	0	0	112	E318 K347 L356 P359	E318-L349 WeakPolarHBondContact O-CA 3.26Å; E318-L349 PolarHBondContact O-N 3.27Å; K347-L349 PolarHBondContact O-N 3.28Å; L349-L356 WeakPolarHBondContact O-CB 3.36Å; L349-L356 PolarHBondContact O-N 2.94Å; L349-P359 HydrophobicContact CD2-CG 4.32Å
350	R	97	Very high	92	Very high	111 Å²	111	65.5 Å²	65.5	42%	0.419	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.7	-179.7	-69.3	176.6	179	-131.9	-7	111.5	E318 E319 L320 L348 H354	E318-R350 PolarHBondContact O-N 2.97Å; E319-R350 WeakPolarHBondContact CA-O 3.49Å; E319-R350 HydrophobicContact CB-CB 4.03Å; E319-R350 HydrophobicContact CG-CB 3.72Å; E319-R350 WeakPolarHBondContact OE2-CD 3.48Å; L320-R350 PolarHBondContact N-O 2.94Å; L348-R350 WeakPolarHBondContact CG-O 3.27Å; R350-H354 CarbonylContact C-O 3.56Å; R350-H354 VanDerWaalsContact CA-O 3.29Å; R350-H354 WeakPolarHBondContact CA-O 3.45Å
351	L	97.1	Very high	90.9	Very high	5 Å²	5	69 Å²	69	3%	0.026	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.3	175.7	-179.3	60.4	0	0	0	109	L320 L322 Y337 I338 I341 L348 G353 H354 L356	L320-L351 HydrophobicContact CB-CD1 4.27Å; L320-L351 HydrophobicContact CD2-CD1 4.44Å; L320-L351 HydrophobicContact CG-CD1 4.32Å; L320-L351 CarbonylContact O-C 3.35Å; L320-L351 VanDerWaalsContact O-CA 3.31Å; L320-L351 WeakPolarHBondContact O-CA 3.29Å; L320-L351 WeakPolarHBondContact O-CD1 3.47Å; L322-L351 HydrophobicContact CD1-CD1 4.47Å; Y337-L351 HydrophobicContact CD1-CD2 4.07Å; Y337-L351 HydrophobicContact CE1-CD2 3.52Å; Y337-L351 HydrophobicContact CE1-CG 4Å; Y337-L351 HydrophobicContact CE2-CD2 4.5Å; I338-L351 HydrophobicContact CG1-CD2 4.38Å; I341-L351 HydrophobicContact CB-CD2 4.16Å; I341-L351 HydrophobicContact CG1-CD2 3.97Å; I341-L351 HydrophobicContact CG2-CD1 4.24Å; I341-L351 HydrophobicContact CG2-CD2 4.27Å; L348-L351 HydrophobicContact CD2-CB 4.1Å; L348-L351 HydrophobicContact CD2-CD1 4.17Å; L351-G353 PolarHBondContact O-N 2.83Å; L351-H354 PolarHBondContact N-O 2.95Å; L351-H354 WeakPolarHBondContact O-CB 3.25Å; L351-H354 PolarHBondContact O-N 2.61Å; L351-L356 HydrophobicContact CB-CD1 3.94Å; L351-L356 HydrophobicContact CB-CD2 4.05Å; L351-L356 HydrophobicContact CB-CG 4.12Å
352	D	96.5	Very high	90	Very high	27 Å²	27	77.9 Å²	77.9	14%	0.144	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	37.1	-180	-57.1	-45.2	0	0	0	113.2	L320 W321 L322 D323 Y337 H354	L320-D352 PolarHBondContact O-N 3.46Å; W321-D352 WeakPolarHBondContact CA-OD1 3.45Å; W321-D352 VanDerWaalsContact CZ3-C 3.46Å; L322-D352 PolarHBondContact N-OD1 3.4Å; D323-D352 HydrophobicContact CB-CB 4.42Å; D323-D352 PolarHBondContact N-OD1 3.37Å; Y337-D352 VanDerWaalsContact CE1-OD2 3.29Å; Y337-D352 WeakPolarHBondContact CE1-OD2 3.38Å; Y337-D352 PolarHBondContact OH-OD2 3.32Å; D352-H354 PolarHBondContact O-CD2 3.22Å; D352-H354 VanDerWaalsContact O-CD2 3.25Å; D352-H354 PolarHBondContact O-N 3.25Å
353	G	94.4	Very high	89.2	Confident	32 Å²	32	82.6 Å²	82.6	33%	0.33	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-4.5	-177.6	0	0	0	0	0	115.3	W321 L351	W321-G353 VanDerWaalsContact CZ2-CA 3.48Å; L351-G353 PolarHBondContact O-N 2.83Å
354	H	94.5	Very high	88.7	Confident	124 Å²	124	81.7 Å²	81.7	57%	0.574	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	135	178.2	-62.1	-78.9	0	0	0	111.7	R350 L351 D352	R350-H354 CarbonylContact C-O 3.56Å; R350-H354 VanDerWaalsContact CA-O 3.29Å; R350-H354 WeakPolarHBondContact CA-O 3.45Å; L351-H354 PolarHBondContact N-O 2.95Å; L351-H354 WeakPolarHBondContact O-CB 3.25Å; L351-H354 PolarHBondContact O-N 2.61Å; D352-H354 PolarHBondContact O-CD2 3.22Å; D352-H354 VanDerWaalsContact O-CD2 3.25Å; D352-H354 PolarHBondContact O-N 3.25Å
355	E	94.5	Very high	87.9	Confident	150 Å²	150	88.6 Å²	88.6	70%	0.701	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.1	174.9	-169.9	169.9	174.8	0	0	111.1
356	L	92.1	Very high	87.5	Confident	13 Å²	13	91.4 Å²	91.4	7%	0.068	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-92.6	152.4	-179.2	-63.2	-177.7	0	0	0	111	I338 L348 L349 L351	I338-L356 HydrophobicContact CD1-CD2 3.72Å; I338-L356 HydrophobicContact CG1-CD2 3.75Å; I338-L356 HydrophobicContact CG2-CD1 4.38Å; I338-L356 HydrophobicContact CG2-CD2 3.98Å; L348-L356 HydrophobicContact CB-CD1 4.48Å; L348-L356 HydrophobicContact CD2-CD1 4.04Å; L348-L356 HydrophobicContact CG-CD1 4.31Å; L349-L356 WeakPolarHBondContact O-CB 3.36Å; L349-L356 PolarHBondContact O-N 2.94Å; L351-L356 HydrophobicContact CB-CD1 3.94Å; L351-L356 HydrophobicContact CB-CD2 4.05Å; L351-L356 HydrophobicContact CB-CG 4.12Å
357	P	89	Confident	87.3	Confident	87 Å²	87	93.5 Å²	93.5	57%	0.565	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-54.5	147.9	171.2	-23.4	33.2	0	0	0	111.3	R342	R342-P357 PolarHBondContact NH1-O 3.39Å; R342-P357 PolarHBondContact NH2-O 3.46Å
358	P	83.9	Confident	87.3	Confident	111 Å²	111	93.4 Å²	93.4	72%	0.721	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-51.2	142.7	-177.7	-29.3	35.5	0	0	0	114.2	R342	R342-P358 PolarHBondContact NH1-O 3.06Å
359	P	78.2	Confident	87.3	Confident	46 Å²	46	99 Å²	99	30%	0.299	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-56.6	137.7	171.2	-27.6	36.8	0	0	0	112.1	P346 L349 A361	P346-P359 VanDerWaalsContact O-CB 3.28Å; P346-P359 WeakPolarHBondContact O-CB 3.48Å; P346-P359 WeakPolarHBondContact O-CG 3.07Å; L349-P359 HydrophobicContact CD2-CG 4.32Å; P359-A361 PolarHBondContact O-N 3Å; P359-A361 VanDerWaalsContact O-N 3.16Å
360	I	75.4	Confident	87.3	Confident	156 Å²	156	102.8 Å²	102.8	80%	0.8	58%	0.578	S	S	*	*			trans	-78	102.5	173.4	-54.1	170.8	0	0	0	107.5	F362	I360-F362 HydrophobicContact CG2-CD2 4.49Å; I360-F362 HydrophobicContact CG2-CE2 3.84Å; I360-F362 HydrophobicContact CG2-CZ 4.44Å
361	A	71.9	Confident	87.2	Confident	86 Å²	86	102.8 Å²	102.8	71%	0.711	59%	0.592	S	S	*	*			trans	-131.3	130	173.4	0	0	0	0	0	109.7	P359	P359-A361 PolarHBondContact O-N 3Å; P359-A361 VanDerWaalsContact O-N 3.16Å
362	F	76.9	Confident	87.1	Confident	186 Å²	186	108 Å²	108	82%	0.816	63%	0.626	S	S	*	*			trans	-106	108.2	170	-63.9	-82.1	0	0	0	107.3	I360	I360-F362 HydrophobicContact CG2-CD2 4.49Å; I360-F362 HydrophobicContact CG2-CE2 3.84Å; I360-F362 HydrophobicContact CG2-CZ 4.44Å
363	D	77.6	Confident	87.1	Confident	140 Å²	140	113 Å²	113	75%	0.749	66%	0.662	S	S	*	*			trans	-76.7	123	170.6	-165.2	-4.4	0	0	0	108.5	E365	D363-E365 PolarHBondContact OD1-N 3.13Å
364	V	82.4	Confident	87.1	Confident	124 Å²	124	120.6 Å²	120.6	75%	0.752	69%	0.686	S	S	*	*			trans	-86.1	4.9	180	-72.2	0	0	0	0	112.6	A366	V364-A366 HydrophobicContact CG2-CB 4.36Å; V364-A366 PolarHBondContact O-N 2.76Å
365	E	78.9	Confident	87.2	Confident	166 Å²	166	117 Å²	117	78%	0.776	68%	0.683	S	S	*	*			trans	41.9	35.1	178.7	-66.7	-168.7	-173.5	0	0	113.5	D363 P367	D363-E365 PolarHBondContact OD1-N 3.13Å; E365-P367 WeakPolarHBondContact O-CD 3.31Å
366	A	86.4	Confident	87.3	Confident	63 Å²	63	112.3 Å²	112.3	52%	0.521	67%	0.666	S	S	.	*			trans	-68.1	123	-177.6	0	0	0	0	0	108.5	V364 T368	V364-A366 HydrophobicContact CG2-CB 4.36Å; V364-A366 PolarHBondContact O-N 2.76Å; A366-T368 PolarHBondContact O-N 2.81Å; A366-T368 VanDerWaalsContact O-N 3.14Å
367	P	88.9	Confident	87.6	Confident	121 Å²	121	118.8 Å²	118.8	79%	0.786	69%	0.69	S	S	*	*			trans	-63.8	121.7	-179.2	25.2	-33.1	0	0	0	109.5	E365	E365-P367 WeakPolarHBondContact O-CD 3.31Å
368	T	90.2	Very high	88	Confident	133 Å²	133	115.9 Å²	115.9	82%	0.816	67%	0.669	S	S	*	*			trans	-100.6	-7.5	177.4	55.2	0	0	0	0	112.6	A366	A366-T368 PolarHBondContact O-N 2.81Å; A366-T368 VanDerWaalsContact O-N 3.14Å
369	T	92.9	Very high	88.5	Confident	118 Å²	118	113.2 Å²	113.2	72%	0.724	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-88.9	121	-175.3	54.7	0	0	0	0	111.5
370	L	94.4	Very high	89.4	Confident	160 Å²	160	114.4 Å²	114.4	84%	0.838	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-80.7	153.8	168.6	-61.9	174.8	0	0	0	110.6
371	P	96	Very high	90.4	Very high	110 Å²	110	112.3 Å²	112.3	71%	0.714	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-57.4	148.1	171.6	-23.7	34.2	0	0	0	112.1	C373	P371-C373 PolarHBondContact O-N 3.24Å
372	P	95.3	Very high	91.6	Very high	115 Å²	115	114.6 Å²	114.6	75%	0.747	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-66.3	128.6	179.2	27.3	-34	0	0	0	111.1
373	C	95.2	Very high	92.5	Very high	133 Å²	133	106.4 Å²	106.4	90%	0.899	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-67.2	130.6	172.3	-60.1	0	0	0	0	110.2	P371	P371-C373 PolarHBondContact O-N 3.24Å
374	K	94.9	Very high	93.5	Very high	191 Å²	191	103 Å²	103	83%	0.83	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-102.2	167.9	172.5	-68.7	-174.4	176.9	-179.4	0	110.3
375	G	95.4	Very high	94.2	Very high	49 Å²	49	100.5 Å²	100.5	51%	0.505	59%	0.586	S	S	.	*	S	Bend	trans	-75	-134.4	166.6	0	0	0	0	0	110.9
376	S	97.1	Very high	95	Very high	50 Å²	50	94.9 Å²	94.9	35%	0.35	56%	0.561	S	S	.	*			trans	-69.7	146.4	-178.3	-53	0	0	0	0	113.8	V480 V481	S376-V480 WeakPolarHBondContact OG-CA 3.24Å; S376-V481 CarbonylContact C-O 3.6Å; S376-V481 WeakPolarHBondContact CA-O 3.35Å; S376-V481 VanDerWaalsContact CB-O 3.27Å; S376-V481 WeakPolarHBondContact CB-O 3.25Å; S376-V481 PolarHBondContact OG-N 3.49Å
377	Y	98	Very high	95.6	Very high	149 Å²	149	91.9 Å²	91.9	58%	0.584	54%	0.536	S	S	*	.	B	Isolated β-bridge	trans	-125.8	115.5	172.4	179	-102.8	0	0	0	111.9	V481 I483	Y377-V481 PolarHBondContact N-O 3.45Å; Y377-I483 PolarHBondContact O-N 2.77Å
378	F	97.9	Very high	96	Very high	27 Å²	27	89 Å²	89	12%	0.118	51%	0.514	C	S	.	.			trans	-110	-6.2	-178.8	-59.9	-84.9	0	0	0	114.2	T380 L383 K384 L388 V481 I483	F378-T380 PolarHBondContact O-N 2.75Å; F378-L383 WeakPolarHBondContact O-CB 3.49Å; F378-K384 HydrophobicContact CB-CB 3.65Å; F378-K384 HydrophobicContact CB-CG 4.37Å; F378-K384 HydrophobicContact CD1-CB 3.9Å; F378-K384 HydrophobicContact CD1-CG 4.08Å; F378-K384 HydrophobicContact CD2-CB 3.96Å; F378-K384 HydrophobicContact CD2-CD 3.72Å; F378-K384 HydrophobicContact CD2-CG 3.7Å; F378-K384 HydrophobicContact CE1-CB 4.5Å; F378-K384 HydrophobicContact CE1-CG 4.22Å; F378-K384 HydrophobicContact CE2-CD 3.98Å; F378-K384 HydrophobicContact CE2-CG 3.88Å; F378-K384 HydrophobicContact CG-CB 3.57Å; F378-K384 HydrophobicContact CG-CD 4.23Å; F378-K384 HydrophobicContact CG-CG 3.8Å; F378-K384 HydrophobicContact CZ-CG 4.13Å; F378-L388 HydrophobicContact CE1-CD2 4.15Å; F378-L388 HydrophobicContact CE1-CG 4.08Å; F378-L388 HydrophobicContact CZ-CD1 4.27Å; F378-L388 HydrophobicContact CZ-CD2 3.93Å; F378-L388 HydrophobicContact CZ-CG 4.08Å; F378-V481 HydrophobicContact CD1-CB 4.47Å; F378-V481 HydrophobicContact CD1-CG1 4.21Å; F378-V481 HydrophobicContact CE1-CB 3.6Å; F378-V481 HydrophobicContact CE1-CG1 3.64Å; F378-V481 HydrophobicContact CE1-CG2 4.16Å; F378-V481 HydrophobicContact CZ-CB 3.76Å; F378-V481 HydrophobicContact CZ-CG1 4.33Å; F378-V481 HydrophobicContact CZ-CG2 4.19Å; F378-I483 HydrophobicContact CB-CD1 4.29Å; F378-I483 HydrophobicContact CD1-CD1 4.37Å; F378-I483 WeakPolarHBondContact O-CD1 3.02Å
379	G	94.4	Very high	96.3	Very high	55 Å²	55	87.4 Å²	87.4	57%	0.567	50%	0.497	S	S	*	.	S	Bend	trans	67.6	-77.8	-170.3	0	0	0	0	0	112.5
380	T	96.5	Very high	96.6	Very high	70 Å²	70	82.5 Å²	82.5	43%	0.429	47%	0.466	S	S	.	.	S	Bend	trans	-110.3	153.7	-178.6	69.5	0	0	0	0	112.4	F378 N382 L383 K384	F378-T380 PolarHBondContact O-N 2.75Å; T380-N382 PolarHBondContact O-N 3.18Å; T380-L383 PolarHBondContact O-N 3.32Å; T380-L383 WeakPolarHBondContact OG1-CG 3.46Å; T380-L383 PolarHBondContact OG1-N 3.11Å; T380-K384 PolarHBondContact O-N 3.35Å
381	E	97.1	Very high	96.8	Very high	112 Å²	112	75 Å²	75	52%	0.523	43%	0.426	S	S	.	.	H	α-helix	trans	-65.8	-28.3	177.7	-164.5	61.7	-151.5	0	0	112.4	K384 S385	E381-K384 WeakPolarHBondContact O-CB 3.44Å; E381-K384 PolarHBondContact O-N 3.11Å; E381-K384 WeakPolarHBondContact OE1-CD 2.87Å; E381-K384 WeakPolarHBondContact OE1-CE 2.81Å; E381-K384 IonicContact OE1-NZ 2.97Å; E381-K384 PolarHBondContact OE1-NZ 2.95Å; E381-K384 IonicContact OE2-NZ 2.67Å; E381-K384 PolarHBondContact OE2-NZ 2.84Å; E381-S385 PolarHBondContact O-N 2.9Å; E381-S385 PolarHBondContact O-OG 3.48Å
382	N	96.2	Very high	96.8	Very high	134 Å²	134	75.2 Å²	75.2	72%	0.717	42%	0.418	S	S	*	.	H	α-helix	trans	-62.7	-46.9	173.8	-70	3.1	0	0	0	111.2	T380 K384 S385 L386	T380-N382 PolarHBondContact O-N 3.18Å; N382-K384 VanDerWaalsContact C-N 3.33Å; N382-S385 PolarHBondContact O-N 3.13Å; N382-L386 VanDerWaalsContact O-CB 3.26Å; N382-L386 WeakPolarHBondContact O-CB 3.49Å; N382-L386 PolarHBondContact O-N 2.67Å
383	L	96.5	Very high	96.9	Very high	14 Å²	14	74.9 Å²	74.9	7%	0.073	41%	0.407	C	S	.	.	H	α-helix	trans	-66.5	-37.4	176.1	-71.6	179.6	0	0	0	111.9	F378 T380 L386 V387 I483 Q486 L491	F378-L383 WeakPolarHBondContact O-CB 3.49Å; T380-L383 PolarHBondContact O-N 3.32Å; T380-L383 WeakPolarHBondContact OG1-CG 3.46Å; T380-L383 PolarHBondContact OG1-N 3.11Å; L383-L386 HydrophobicContact CD2-CD2 4.41Å; L383-L386 PolarHBondContact O-N 3.19Å; L383-V387 VanDerWaalsContact O-CB 3.31Å; L383-V387 WeakPolarHBondContact O-CB 3.44Å; L383-V387 VanDerWaalsContact O-CG2 3.27Å; L383-V387 WeakPolarHBondContact O-CG2 3.31Å; L383-V387 PolarHBondContact O-N 3.21Å; L383-I483 HydrophobicContact CB-CD1 3.58Å; L383-I483 HydrophobicContact CD1-CD1 3.71Å; L383-I483 HydrophobicContact CD1-CG2 4.49Å; L383-I483 HydrophobicContact CG-CD1 4.19Å; L383-Q486 HydrophobicContact CD1-CG 4.43Å; L383-L491 HydrophobicContact CD1-CD1 4.48Å; L383-L491 HydrophobicContact CD2-CD1 4.11Å; L383-L491 HydrophobicContact CD2-CD2 4.25Å
384	K	97.9	Very high	97.1	Very high	70 Å²	70	68.8 Å²	68.8	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-57.3	-51.1	173.9	179.6	170.5	155.8	-138.8	0	111.3	F378 T380 E381 N382 L388	F378-K384 HydrophobicContact CB-CB 3.65Å; F378-K384 HydrophobicContact CB-CG 4.37Å; F378-K384 HydrophobicContact CD1-CB 3.9Å; F378-K384 HydrophobicContact CD1-CG 4.08Å; F378-K384 HydrophobicContact CD2-CB 3.96Å; F378-K384 HydrophobicContact CD2-CD 3.72Å; F378-K384 HydrophobicContact CD2-CG 3.7Å; F378-K384 HydrophobicContact CE1-CB 4.5Å; F378-K384 HydrophobicContact CE1-CG 4.22Å; F378-K384 HydrophobicContact CE2-CD 3.98Å; F378-K384 HydrophobicContact CE2-CG 3.88Å; F378-K384 HydrophobicContact CG-CB 3.57Å; F378-K384 HydrophobicContact CG-CD 4.23Å; F378-K384 HydrophobicContact CG-CG 3.8Å; F378-K384 HydrophobicContact CZ-CG 4.13Å; T380-K384 PolarHBondContact O-N 3.35Å; E381-K384 WeakPolarHBondContact O-CB 3.44Å; E381-K384 PolarHBondContact O-N 3.11Å; E381-K384 WeakPolarHBondContact OE1-CD 2.87Å; E381-K384 WeakPolarHBondContact OE1-CE 2.81Å; E381-K384 IonicContact OE1-NZ 2.97Å; E381-K384 PolarHBondContact OE1-NZ 2.95Å; E381-K384 IonicContact OE2-NZ 2.67Å; E381-K384 PolarHBondContact OE2-NZ 2.84Å; N382-K384 VanDerWaalsContact C-N 3.33Å; K384-L388 HydrophobicContact CG-CD1 3.74Å; K384-L388 HydrophobicContact CG-CG 4.4Å; K384-L388 VanDerWaalsContact O-CB 3.25Å; K384-L388 WeakPolarHBondContact O-CB 3.37Å; K384-L388 WeakPolarHBondContact O-CG 3.29Å; K384-L388 PolarHBondContact O-N 3.33Å
385	S	97.1	Very high	97.3	Very high	70 Å²	70	59.8 Å²	59.8	49%	0.49	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-45.9	-179.9	-58	0	0	0	0	111.5	E381 N382 H389	E381-S385 PolarHBondContact O-N 2.9Å; E381-S385 PolarHBondContact O-OG 3.48Å; N382-S385 PolarHBondContact O-N 3.13Å; S385-H389 WeakPolarHBondContact O-CB 3.43Å; S385-H389 PolarHBondContact O-N 2.94Å
386	L	97.1	Very high	97.4	Very high	48 Å²	48	60.7 Å²	60.7	25%	0.251	33%	0.328	S	S	.	.	H	α-helix	trans	-60.5	-52.6	178.5	175.8	62.3	0	0	0	112.6	N382 L383 H389 F390 S525 L527	N382-L386 VanDerWaalsContact O-CB 3.26Å; N382-L386 WeakPolarHBondContact O-CB 3.49Å; N382-L386 PolarHBondContact O-N 2.67Å; L383-L386 HydrophobicContact CD2-CD2 4.41Å; L383-L386 PolarHBondContact O-N 3.19Å; L386-H389 PolarHBondContact O-N 3.06Å; L386-F390 WeakPolarHBondContact O-CB 3.3Å; L386-F390 PolarHBondContact O-N 3.26Å; L386-S525 WeakPolarHBondContact CD1-O 3.47Å; L386-L527 HydrophobicContact CD1-CG 4.36Å; L386-L527 HydrophobicContact CD2-CD1 4.37Å; L386-L527 HydrophobicContact CD2-CD2 4.25Å; L386-L527 HydrophobicContact CD2-CG 4.39Å; L386-L527 HydrophobicContact CG-CD1 4.13Å; L386-L527 HydrophobicContact CG-CG 4.37Å
387	V	97.9	Very high	97.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-70	-41.2	-175.8	175.1	0	0	0	0	110.8	L383 F390 L391 V481 I483 L491 F493	L383-V387 VanDerWaalsContact O-CB 3.31Å; L383-V387 WeakPolarHBondContact O-CB 3.44Å; L383-V387 VanDerWaalsContact O-CG2 3.27Å; L383-V387 WeakPolarHBondContact O-CG2 3.31Å; L383-V387 PolarHBondContact O-N 3.21Å; V387-F390 PolarHBondContact O-N 3.49Å; V387-L391 HydrophobicContact CG1-CD1 3.92Å; V387-L391 HydrophobicContact CG1-CG 4.24Å; V387-L391 WeakPolarHBondContact O-CB 3.39Å; V387-L391 VanDerWaalsContact O-CG 3.24Å; V387-L391 WeakPolarHBondContact O-CG 3.33Å; V387-L391 PolarHBondContact O-N 3.02Å; V387-V481 HydrophobicContact CG1-CG1 3.88Å; V387-I483 HydrophobicContact CG2-CD1 4.15Å; V387-L491 HydrophobicContact CG2-CD2 3.89Å; V387-F493 HydrophobicContact CG1-CD2 3.85Å; V387-F493 HydrophobicContact CG1-CE2 3.94Å; V387-F493 HydrophobicContact CG1-CG 4.29Å; V387-F493 HydrophobicContact CG1-CZ 4.46Å
388	L	97.6	Very high	97.5	Very high	61 Å²	61	54.3 Å²	54.3	32%	0.319	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-41.2	176.7	-70	178.6	0	0	0	111.8	F378 K384 L391 Q392	F378-L388 HydrophobicContact CE1-CD2 4.15Å; F378-L388 HydrophobicContact CE1-CG 4.08Å; F378-L388 HydrophobicContact CZ-CD1 4.27Å; F378-L388 HydrophobicContact CZ-CD2 3.93Å; F378-L388 HydrophobicContact CZ-CG 4.08Å; K384-L388 HydrophobicContact CG-CD1 3.74Å; K384-L388 HydrophobicContact CG-CG 4.4Å; K384-L388 VanDerWaalsContact O-CB 3.25Å; K384-L388 WeakPolarHBondContact O-CB 3.37Å; K384-L388 WeakPolarHBondContact O-CG 3.29Å; K384-L388 PolarHBondContact O-N 3.33Å; L388-L391 PolarHBondContact O-N 2.99Å; L388-Q392 VanDerWaalsContact O-CG 3.31Å; L388-Q392 WeakPolarHBondContact O-CG 3.36Å; L388-Q392 PolarHBondContact O-N 3.34Å
389	H	97.1	Very high	97.5	Very high	99 Å²	99	55.1 Å²	55.1	46%	0.458	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-46.7	174.7	-177.3	68.5	0	0	0	111.8	S385 L386 L391 Q392 Q393	S385-H389 WeakPolarHBondContact O-CB 3.43Å; S385-H389 PolarHBondContact O-N 2.94Å; L386-H389 PolarHBondContact O-N 3.06Å; H389-L391 VanDerWaalsContact C-N 3.34Å; H389-L391 PolarHBondContact O-N 3.07Å; H389-Q392 PolarHBondContact O-N 3Å; H389-Q393 PolarHBondContact NE2-NE2 3.43Å; H389-Q393 PolarHBondContact NE2-OE1 2.81Å; H389-Q393 PolarHBondContact O-N 2.86Å; H389-Q393 VanDerWaalsContact O-N 3.08Å
390	F	98	Very high	97.6	Very high	16 Å²	16	56.1 Å²	56.1	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-56.5	-46.8	174.2	168.5	-92.6	0	0	0	111.8	L386 V387 Q393 Y394 F493 L527 I529	L386-F390 WeakPolarHBondContact O-CB 3.3Å; L386-F390 PolarHBondContact O-N 3.26Å; V387-F390 PolarHBondContact O-N 3.49Å; F390-Q393 PolarHBondContact O-N 3.2Å; F390-Y394 HydrophobicContact CE1-CD2 4.48Å; F390-Y394 HydrophobicContact CZ-CD2 4Å; F390-Y394 HydrophobicContact CZ-CG 4.49Å; F390-Y394 WeakPolarHBondContact O-CB 3.23Å; F390-Y394 PolarHBondContact O-N 2.7Å; F390-F493 HydrophobicContact CD1-CE2 4.26Å; F390-F493 AromaticContact CD1-CZ 3.85Å; F390-F493 HydrophobicContact CD1-CZ 3.85Å; F390-F493 HydrophobicContact CE1-CE2 4.14Å; F390-F493 AromaticContact CE1-CZ 3.65Å; F390-F493 HydrophobicContact CE1-CZ 3.65Å; F390-F493 HydrophobicContact CZ-CZ 4.48Å; F390-L527 HydrophobicContact CB-CD1 4.25Å; F390-L527 HydrophobicContact CD2-CB 3.89Å; F390-L527 HydrophobicContact CD2-CD1 4.38Å; F390-L527 HydrophobicContact CE2-CB 4.12Å; F390-L527 HydrophobicContact CG-CD1 4.18Å; F390-I529 HydrophobicContact CE2-CD1 4.45Å; F390-I529 HydrophobicContact CE2-CG1 4.29Å; F390-I529 HydrophobicContact CZ-CD1 3.81Å; F390-I529 HydrophobicContact CZ-CG1 3.83Å
391	L	98.5	Very high	97.4	Very high	1 Å²	1	54 Å²	54	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-40	-179.5	-70.9	174.8	0	0	0	112.3	V387 L388 H389 Y395 F479 V481 F493 V495 F517	V387-L391 HydrophobicContact CG1-CD1 3.92Å; V387-L391 HydrophobicContact CG1-CG 4.24Å; V387-L391 WeakPolarHBondContact O-CB 3.39Å; V387-L391 VanDerWaalsContact O-CG 3.24Å; V387-L391 WeakPolarHBondContact O-CG 3.33Å; V387-L391 PolarHBondContact O-N 3.02Å; L388-L391 PolarHBondContact O-N 2.99Å; H389-L391 VanDerWaalsContact C-N 3.34Å; H389-L391 PolarHBondContact O-N 3.07Å; L391-Y395 HydrophobicContact CB-CD2 4.5Å; L391-Y395 HydrophobicContact CD2-CD2 4.17Å; L391-Y395 HydrophobicContact CD2-CE2 3.86Å; L391-Y395 WeakPolarHBondContact O-CB 3.46Å; L391-Y395 WeakPolarHBondContact O-CD2 3.49Å; L391-Y395 PolarHBondContact O-N 3.06Å; L391-F479 HydrophobicContact CD1-CD2 4.37Å; L391-V481 HydrophobicContact CD1-CG2 3.7Å; L391-F493 HydrophobicContact CD2-CE2 4.21Å; L391-V495 HydrophobicContact CD1-CG1 4.37Å; L391-V495 HydrophobicContact CD1-CG2 3.81Å; L391-V495 HydrophobicContact CD2-CG2 3.74Å; L391-V495 HydrophobicContact CG-CG2 4.44Å; L391-F517 HydrophobicContact CD2-CE2 4.21Å
392	Q	97.3	Very high	97.3	Very high	116 Å²	116	52.7 Å²	52.7	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-59.7	-48.8	175	-75.2	174.6	-1.1	0	0	111.4	L388 H389 A396 V476	L388-Q392 VanDerWaalsContact O-CG 3.31Å; L388-Q392 WeakPolarHBondContact O-CG 3.36Å; L388-Q392 PolarHBondContact O-N 3.34Å; H389-Q392 PolarHBondContact O-N 3Å; Q392-A396 WeakPolarHBondContact O-CB 3.39Å; Q392-A396 PolarHBondContact O-N 3.03Å; Q392-V476 HydrophobicContact CG-CG1 4.3Å
393	Q	97.6	Very high	97.4	Very high	108 Å²	108	46.4 Å²	46.4	51%	0.505	26%	0.258	S	S	.	.	H	α-helix	trans	-65.5	-47.7	178.4	-70.4	-178.3	-37.6	0	0	112	H389 F390 Y395 A396 I397	H389-Q393 PolarHBondContact NE2-NE2 3.43Å; H389-Q393 PolarHBondContact NE2-OE1 2.81Å; H389-Q393 PolarHBondContact O-N 2.86Å; H389-Q393 VanDerWaalsContact O-N 3.08Å; F390-Q393 PolarHBondContact O-N 3.2Å; Q393-Y395 PolarHBondContact O-N 3.44Å; Q393-A396 PolarHBondContact O-N 2.92Å; Q393-I397 WeakPolarHBondContact O-CG1 3.36Å; Q393-I397 PolarHBondContact O-N 2.92Å; Q393-I397 VanDerWaalsContact O-N 3.14Å
394	Y	98.6	Very high	97.5	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-51.8	-179.3	-177.9	-80.6	0	0	0	111.1	F390 I397 Y398 L406 Y410 R515 F517 I529	F390-Y394 HydrophobicContact CE1-CD2 4.48Å; F390-Y394 HydrophobicContact CZ-CD2 4Å; F390-Y394 HydrophobicContact CZ-CG 4.49Å; F390-Y394 WeakPolarHBondContact O-CB 3.23Å; F390-Y394 PolarHBondContact O-N 2.7Å; Y394-I397 PolarHBondContact O-N 3.16Å; Y394-Y398 AromaticContact CE1-CD2 3.67Å; Y394-Y398 HydrophobicContact CE1-CD2 3.67Å; Y394-Y398 HydrophobicContact CE1-CE2 4.44Å; Y394-Y398 HydrophobicContact CE1-CG 4.29Å; Y394-Y398 WeakPolarHBondContact O-CB 3.44Å; Y394-Y398 PolarHBondContact O-N 3.23Å; Y394-L406 HydrophobicContact CD2-CD2 3.82Å; Y394-L406 HydrophobicContact CE2-CD1 4.41Å; Y394-L406 HydrophobicContact CE2-CD2 3.83Å; Y394-L406 HydrophobicContact CG-CD2 4.22Å; Y394-Y410 HydrophobicContact CE2-CE2 4.25Å; Y394-Y410 PolarHBondContact OH-OH 3.06Å; Y394-R515 PolarHBondContact OH-NH1 2.86Å; Y394-R515 PolarHBondContact OH-NH2 3.26Å; Y394-F517 HydrophobicContact CD1-CZ 4.48Å; Y394-F517 HydrophobicContact CE1-CZ 4.07Å; Y394-F517 HydrophobicContact CE2-CE1 4.23Å; Y394-F517 HydrophobicContact CE2-CZ 4.45Å; Y394-I529 HydrophobicContact CD2-CD1 3.98Å; Y394-I529 HydrophobicContact CE2-CD1 3.52Å
395	Y	98.6	Very high	97.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-75.1	-26.9	-176.8	-80.2	-78.8	0	0	0	113.2	L391 Q393 I397 Y398 D399 H474 F479 F513 R515	L391-Y395 HydrophobicContact CB-CD2 4.5Å; L391-Y395 HydrophobicContact CD2-CD2 4.17Å; L391-Y395 HydrophobicContact CD2-CE2 3.86Å; L391-Y395 WeakPolarHBondContact O-CB 3.46Å; L391-Y395 WeakPolarHBondContact O-CD2 3.49Å; L391-Y395 PolarHBondContact O-N 3.06Å; Q393-Y395 PolarHBondContact O-N 3.44Å; Y395-I397 VanDerWaalsContact C-N 3.34Å; Y395-I397 PolarHBondContact O-N 2.83Å; Y395-Y398 HydrophobicContact CD1-CG 4.43Å; Y395-Y398 PolarHBondContact O-N 3.04Å; Y395-D399 WeakPolarHBondContact O-CB 3.48Å; Y395-D399 PolarHBondContact O-N 3.29Å; Y395-H474 HydrophobicContact CD1-CB 4.06Å; Y395-H474 AromaticContact CD1-CD2 3.58Å; Y395-H474 AromaticContact CD1-CE1 3.71Å; Y395-H474 AromaticContact CD1-CG 3.43Å; Y395-H474 VanDerWaalsContact CD1-CG 3.43Å; Y395-H474 AromaticContact CD1-ND1 3.51Å; Y395-H474 AromaticContact CD1-NE2 3.79Å; Y395-H474 AromaticContact CE1-CD2 3.27Å; Y395-H474 WeakPolarHBondContact CE1-CD2 3.43Å; Y395-H474 AromaticContact CE1-CE1 3.6Å; Y395-H474 AromaticContact CE1-CG 3.67Å; Y395-H474 AromaticContact CE1-ND1 3.84Å; Y395-H474 AromaticContact CE1-NE2 3.26Å; Y395-H474 VanDerWaalsContact CE1-NE2 3.26Å; Y395-H474 WeakPolarHBondContact CE1-NE2 3.35Å; Y395-F479 HydrophobicContact CD1-CZ 4.27Å; Y395-F479 AromaticContact CD2-CE2 3.51Å; Y395-F479 HydrophobicContact CD2-CE2 3.51Å; Y395-F479 AromaticContact CD2-CZ 3.98Å; Y395-F479 HydrophobicContact CD2-CZ 3.98Å; Y395-F479 HydrophobicContact CE1-CZ 4.23Å; Y395-F479 AromaticContact CE2-CE2 3.53Å; Y395-F479 HydrophobicContact CE2-CE2 3.53Å; Y395-F479 AromaticContact CE2-CZ 3.93Å; Y395-F479 HydrophobicContact CE2-CZ 3.93Å; Y395-F479 HydrophobicContact CG-CE2 4.06Å; Y395-F479 HydrophobicContact CG-CZ 4.12Å; Y395-F513 HydrophobicContact CE1-CZ 4.5Å; Y395-F513 WeakPolarHBondContact OH-CE2 3.5Å; Y395-F513 WeakPolarHBondContact OH-CZ 3.38Å; Y395-R515 WeakPolarHBondContact OH-CD 3.49Å
396	A	98.1	Very high	97.5	Very high	68 Å²	68	46.3 Å²	46.3	56%	0.562	26%	0.26	S	S	*	.	H	α-helix	trans	-60.5	-43.2	168.8	0	0	0	0	0	111.9	Q392 Q393 S400	Q392-A396 WeakPolarHBondContact O-CB 3.39Å; Q392-A396 PolarHBondContact O-N 3.03Å; Q393-A396 PolarHBondContact O-N 2.92Å; A396-S400 PolarHBondContact O-N 3.13Å
397	I	98.4	Very high	97.5	Very high	59 Å²	59	46.3 Å²	46.3	30%	0.303	26%	0.259	S	S	.	.	H	α-helix	trans	-69.4	-43.5	174.1	-61.1	168.7	0	0	0	110.3	Q393 Y394 Y395 D399 S400 L406	Q393-I397 WeakPolarHBondContact O-CG1 3.36Å; Q393-I397 PolarHBondContact O-N 2.92Å; Q393-I397 VanDerWaalsContact O-N 3.14Å; Y394-I397 PolarHBondContact O-N 3.16Å; Y395-I397 VanDerWaalsContact C-N 3.34Å; Y395-I397 PolarHBondContact O-N 2.83Å; I397-D399 VanDerWaalsContact C-N 3.27Å; I397-D399 PolarHBondContact O-N 3.19Å; I397-S400 WeakPolarHBondContact O-CB 3.26Å; I397-S400 PolarHBondContact O-N 3.43Å; I397-S400 PolarHBondContact O-OG 3.22Å; I397-L406 HydrophobicContact CB-CD2 3.87Å; I397-L406 HydrophobicContact CB-CG 4.44Å; I397-L406 HydrophobicContact CD1-CD2 4.5Å; I397-L406 HydrophobicContact CG2-CD2 3.76Å; I397-L406 HydrophobicContact CG2-CG 3.79Å
398	Y	98.5	Very high	97.5	Very high	6 Å²	6	53 Å²	53	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-37.4	-177.6	-162.7	-82.4	0	0	0	112.9	Y394 Y395 R403 L406 L466 T472 H474	Y394-Y398 AromaticContact CE1-CD2 3.67Å; Y394-Y398 HydrophobicContact CE1-CD2 3.67Å; Y394-Y398 HydrophobicContact CE1-CE2 4.44Å; Y394-Y398 HydrophobicContact CE1-CG 4.29Å; Y394-Y398 WeakPolarHBondContact O-CB 3.44Å; Y394-Y398 PolarHBondContact O-N 3.23Å; Y395-Y398 HydrophobicContact CD1-CG 4.43Å; Y395-Y398 PolarHBondContact O-N 3.04Å; Y398-R403 PolarHBondContact O-NE 3.3Å; Y398-L406 HydrophobicContact CD2-CD1 3.78Å; Y398-L406 HydrophobicContact CE2-CD1 4.47Å; Y398-L466 HydrophobicContact CE2-CD1 4.45Å; Y398-L466 HydrophobicContact CE2-CD2 4.1Å; Y398-T472 VanDerWaalsContact CD1-OG1 3.25Å; Y398-T472 WeakPolarHBondContact CD1-OG1 3.36Å; Y398-T472 HydrophobicContact CE1-CG2 4.24Å; Y398-T472 VanDerWaalsContact CE1-OG1 3.3Å; Y398-T472 WeakPolarHBondContact CE1-OG1 3.48Å; Y398-H474 AromaticContact CD1-CE1 3.7Å; Y398-H474 AromaticContact CE1-CE1 3.83Å
399	D	97.8	Very high	97.5	Very high	44 Å²	44	51 Å²	51	24%	0.235	29%	0.288	C	S	.	.	H	α-helix	trans	-90.9	-5.1	-178.1	-69.3	-19.9	0	0	0	113.8	Y395 I397 G401 T472 H474	Y395-D399 WeakPolarHBondContact O-CB 3.48Å; Y395-D399 PolarHBondContact O-N 3.29Å; I397-D399 VanDerWaalsContact C-N 3.27Å; I397-D399 PolarHBondContact O-N 3.19Å; D399-G401 PolarHBondContact O-N 3.36Å; D399-T472 WeakPolarHBondContact CB-O 3.39Å; D399-T472 VanDerWaalsContact OD1-C 3.26Å; D399-T472 WeakPolarHBondContact OD1-CB 3.41Å; D399-T472 VanDerWaalsContact OD1-O 3.1Å; D399-T472 PolarHBondContact OD1-OG1 2.96Å; D399-H474 VanDerWaalsContact CG-ND1 3.35Å; D399-H474 IonicContact OD1-CE1 3.3Å; D399-H474 PolarHBondContact OD1-CE1 3.01Å; D399-H474 IonicContact OD1-CG 3.48Å; D399-H474 IonicContact OD1-ND1 3.5Å; D399-H474 PolarHBondContact OD1-ND1 3.13Å; D399-H474 WeakPolarHBondContact OD2-CB 3.5Å; D399-H474 IonicContact OD2-CG 2.7Å; D399-H474 PolarHBondContact OD2-N 2.85Å; D399-H474 IonicContact OD2-ND1 2.75Å; D399-H474 PolarHBondContact OD2-ND1 3.23Å; D399-H474 VanDerWaalsContact OD2-ND1 3.15Å
400	S	96.7	Very high	97.6	Very high	76 Å²	76	46.4 Å²	46.4	53%	0.531	27%	0.267	S	S	.	.	S	Bend	trans	-64.2	-20.2	178.2	72.6	0	0	0	0	113.9	A396 I397 D402	A396-S400 PolarHBondContact O-N 3.13Å; I397-S400 WeakPolarHBondContact O-CB 3.26Å; I397-S400 PolarHBondContact O-N 3.43Å; I397-S400 PolarHBondContact O-OG 3.22Å; S400-D402 VanDerWaalsContact C-N 3.28Å; S400-D402 PolarHBondContact OG-N 3.14Å; S400-D402 VanDerWaalsContact OG-N 3.17Å; S400-D402 PolarHBondContact OG-O 3.16Å
401	G	92	Very high	97.6	Very high	24 Å²	24	49.8 Å²	49.8	25%	0.247	28%	0.282	C	S	.	.	S	Bend	trans	85.2	-9.9	-172.8	0	0	0	0	0	114.6	D399	D399-G401 PolarHBondContact O-N 3.36Å
402	D	96.2	Very high	97.6	Very high	85 Å²	85	54.8 Å²	54.8	46%	0.455	31%	0.309	S	S	.	.			trans	-121.5	101.2	165.6	178.1	13.6	0	0	0	109.6	S400 Q404	S400-D402 VanDerWaalsContact C-N 3.28Å; S400-D402 PolarHBondContact OG-N 3.14Å; S400-D402 VanDerWaalsContact OG-N 3.17Å; S400-D402 PolarHBondContact OG-O 3.16Å; D402-Q404 PolarHBondContact O-N 3.38Å; D402-Q404 WeakPolarHBondContact OD1-CB 3.35Å; D402-Q404 WeakPolarHBondContact OD1-CG 3.43Å; D402-Q404 PolarHBondContact OD1-N 2.67Å; D402-Q404 VanDerWaalsContact OD1-N 3.14Å
403	R	98.1	Very high	97.7	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.011	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-85.6	7.8	-173.4	-53.2	-176.7	174.1	114.9	-1.6	112.9	Y398 G405 L406 V463 L466 N467 L469 P470 T472	Y398-R403 PolarHBondContact O-NE 3.3Å; R403-G405 PolarHBondContact O-N 3.27Å; R403-L406 HydrophobicContact CB-CD1 3.98Å; R403-L406 HydrophobicContact CB-CG 4.42Å; R403-L406 VanDerWaalsContact O-CB 3.3Å; R403-L406 WeakPolarHBondContact O-CB 3.41Å; R403-L406 WeakPolarHBondContact O-CG 3.34Å; R403-L406 PolarHBondContact O-N 3.41Å; R403-V463 WeakPolarHBondContact O-CG1 3.49Å; R403-L466 WeakPolarHBondContact CD-O 3.45Å; R403-L466 PolarHBondContact NH1-O 2.98Å; R403-N467 VanDerWaalsContact CB-OD1 3.26Å; R403-N467 WeakPolarHBondContact CB-OD1 3.48Å; R403-N467 PolarHBondContact N-OD1 2.92Å; R403-L469 PolarHBondContact NH1-O 3.22Å; R403-P470 PolarHBondContact NH1-O 2.65Å; R403-P470 PolarHBondContact NH2-O 2.88Å; R403-T472 PolarHBondContact NH2-OG1 3.32Å
404	Q	97.6	Very high	97.7	Very high	117 Å²	117	45.5 Å²	45.5	55%	0.547	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-57.6	-33.3	-179.8	-75.1	-177.1	13.7	0	0	113.3	D402 L406 L407	D402-Q404 PolarHBondContact O-N 3.38Å; D402-Q404 WeakPolarHBondContact OD1-CB 3.35Å; D402-Q404 WeakPolarHBondContact OD1-CG 3.43Å; D402-Q404 PolarHBondContact OD1-N 2.67Å; D402-Q404 VanDerWaalsContact OD1-N 3.14Å; Q404-L406 PolarHBondContact O-N 2.97Å; Q404-L407 WeakPolarHBondContact O-CB 3.39Å; Q404-L407 WeakPolarHBondContact O-CG 3.33Å; Q404-L407 PolarHBondContact O-N 3.03Å
405	G	97.5	Very high	97.7	Very high	35 Å²	35	46.6 Å²	46.6	36%	0.361	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60	-16.7	175.9	0	0	0	0	0	114.4	R403 L407	R403-G405 PolarHBondContact O-N 3.27Å; G405-L407 PolarHBondContact O-N 3.04Å
406	L	98.3	Very high	97.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-70.8	-13.9	174.9	-63.4	-179.7	0	0	0	112.9	Y394 I397 Y398 R403 Q404 D408 A409 Y410 V463 L466	Y394-L406 HydrophobicContact CD2-CD2 3.82Å; Y394-L406 HydrophobicContact CE2-CD1 4.41Å; Y394-L406 HydrophobicContact CE2-CD2 3.83Å; Y394-L406 HydrophobicContact CG-CD2 4.22Å; I397-L406 HydrophobicContact CB-CD2 3.87Å; I397-L406 HydrophobicContact CB-CG 4.44Å; I397-L406 HydrophobicContact CD1-CD2 4.5Å; I397-L406 HydrophobicContact CG2-CD2 3.76Å; I397-L406 HydrophobicContact CG2-CG 3.79Å; Y398-L406 HydrophobicContact CD2-CD1 3.78Å; Y398-L406 HydrophobicContact CE2-CD1 4.47Å; R403-L406 HydrophobicContact CB-CD1 3.98Å; R403-L406 HydrophobicContact CB-CG 4.42Å; R403-L406 VanDerWaalsContact O-CB 3.3Å; R403-L406 WeakPolarHBondContact O-CB 3.41Å; R403-L406 WeakPolarHBondContact O-CG 3.34Å; R403-L406 PolarHBondContact O-N 3.41Å; Q404-L406 PolarHBondContact O-N 2.97Å; L406-D408 PolarHBondContact O-N 3.22Å; L406-A409 PolarHBondContact O-N 2.86Å; L406-Y410 HydrophobicContact CB-CD2 4.29Å; L406-Y410 HydrophobicContact CB-CE2 4.14Å; L406-Y410 VanDerWaalsContact O-CD2 3.29Å; L406-Y410 WeakPolarHBondContact O-CD2 3.47Å; L406-Y410 PolarHBondContact O-N 3.48Å; L406-V463 HydrophobicContact CB-CG2 4.13Å; L406-L466 HydrophobicContact CD1-CD1 4.01Å
407	L	98.2	Very high	97.8	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.246	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-50.3	-43.5	176.3	-78.5	168.1	0	0	0	110.3	Q404 G405 A409 Y410 R459 L460 V463	Q404-L407 WeakPolarHBondContact O-CB 3.39Å; Q404-L407 WeakPolarHBondContact O-CG 3.33Å; Q404-L407 PolarHBondContact O-N 3.03Å; G405-L407 PolarHBondContact O-N 3.04Å; L407-A409 PolarHBondContact O-N 2.93Å; L407-Y410 PolarHBondContact O-N 3.28Å; L407-R459 HydrophobicContact CD2-CB 4.43Å; L407-R459 HydrophobicContact CD2-CG 4.16Å; L407-R459 PolarHBondContact O-NE 2.79Å; L407-R459 PolarHBondContact O-NH2 3.41Å; L407-L460 HydrophobicContact CD2-CD2 4.05Å; L407-V463 HydrophobicContact CD2-CB 4.04Å; L407-V463 HydrophobicContact CD2-CG2 3.86Å; L407-V463 HydrophobicContact CG-CB 4.3Å; L407-V463 HydrophobicContact CG-CG1 4.26Å; L407-V463 HydrophobicContact CG-CG2 4.08Å
408	D	97.3	Very high	97.8	Very high	140 Å²	140	41.2 Å²	41.2	75%	0.749	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-70.9	-16.4	-176.1	-64.1	-30.5	0	0	0	114.1	L406 R459	L406-D408 PolarHBondContact O-N 3.22Å; D408-R459 IonicContact OD1-NH2 3.95Å; D408-R459 PolarHBondContact OD1-NH2 3.09Å
409	A	97.9	Very high	97.8	Very high	20 Å²	20	41.9 Å²	41.9	17%	0.165	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-88.6	-18.7	176.6	0	0	0	0	0	113.3	L406 L407 C528 I529	L406-A409 PolarHBondContact O-N 2.86Å; L407-A409 PolarHBondContact O-N 2.93Å; A409-C528 CarbonylContact O-C 3.56Å; A409-C528 WeakPolarHBondContact O-CA 3.35Å; A409-I529 HydrophobicContact CB-CD1 4.4Å; A409-I529 PolarHBondContact O-N 3.02Å
410	Y	98.6	Very high	97.7	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.3	-176.6	-77.9	-77.3	0	0	0	112.7	Y394 L406 L407 A414 V462 V463 L466 I529 D532	Y394-Y410 HydrophobicContact CE2-CE2 4.25Å; Y394-Y410 PolarHBondContact OH-OH 3.06Å; L406-Y410 HydrophobicContact CB-CD2 4.29Å; L406-Y410 HydrophobicContact CB-CE2 4.14Å; L406-Y410 VanDerWaalsContact O-CD2 3.29Å; L406-Y410 WeakPolarHBondContact O-CD2 3.47Å; L406-Y410 PolarHBondContact O-N 3.48Å; L407-Y410 PolarHBondContact O-N 3.28Å; Y410-A414 HydrophobicContact CD1-CB 3.74Å; Y410-A414 HydrophobicContact CG-CB 4.39Å; Y410-V462 HydrophobicContact CD1-CG1 4.02Å; Y410-V462 HydrophobicContact CD2-CG1 4.18Å; Y410-V462 HydrophobicContact CE1-CG1 3.73Å; Y410-V462 HydrophobicContact CE2-CG1 3.91Å; Y410-V462 HydrophobicContact CG-CG1 4.25Å; Y410-V463 HydrophobicContact CD2-CG2 4Å; Y410-V463 HydrophobicContact CE2-CG2 4.41Å; Y410-L466 HydrophobicContact CE2-CD1 3.88Å; Y410-L466 WeakPolarHBondContact OH-CD1 3.41Å; Y410-I529 HydrophobicContact CD1-CB 3.7Å; Y410-I529 HydrophobicContact CD1-CD1 4.12Å; Y410-I529 HydrophobicContact CD1-CG2 3.88Å; Y410-I529 HydrophobicContact CE1-CB 3.85Å; Y410-I529 HydrophobicContact CE1-CD1 3.73Å; Y410-I529 HydrophobicContact CE1-CG1 4.44Å; Y410-I529 HydrophobicContact CE1-CG2 3.63Å; Y410-I529 HydrophobicContact CE2-CD1 4.25Å; Y410-I529 HydrophobicContact CG-CB 4.49Å; Y410-D532 HydrophobicContact CE1-CB 4.02Å; Y410-D532 PolarHBondContact OH-OD2 3.27Å
411	H	98.6	Very high	97.7	Very high	87 Å²	87	39 Å²	39	40%	0.403	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	150	171	-173.9	-97.2	0	0	0	110.9	G413 A414 C528 I529 V530	H411-G413 PolarHBondContact ND1-N 3.32Å; H411-G413 VanDerWaalsContact ND1-N 3.18Å; H411-G413 PolarHBondContact O-N 3.28Å; H411-G413 VanDerWaalsContact O-N 3.14Å; H411-A414 HydrophobicContact CB-CB 4.28Å; H411-A414 WeakPolarHBondContact O-CB 3.36Å; H411-A414 PolarHBondContact O-N 2.85Å; H411-C528 WeakPolarHBondContact CA-SG 3.38Å; H411-C528 PolarHBondContact N-SG 3.29Å; H411-I529 WeakPolarHBondContact CB-O 3.31Å; H411-I529 PolarHBondContact N-O 2.68Å; H411-V530 HydrophobicContact CB-CG1 3.95Å
412	D	98.2	Very high	97.7	Very high	105 Å²	105	44 Å²	44	56%	0.561	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	-37	-177.3	-68.6	-30.6	0	0	0	112.8	T458 R459	D412-T458 WeakPolarHBondContact O-CA 3.36Å; D412-T458 WeakPolarHBondContact O-CB 3.39Å; D412-R459 PolarHBondContact O-N 3.21Å; D412-R459 WeakPolarHBondContact OD1-CD 3.49Å; D412-R459 IonicContact OD1-CZ 3.81Å; D412-R459 IonicContact OD1-NE 2.83Å; D412-R459 IonicContact OD1-NH1 3.79Å; D412-R459 PolarHBondContact OD1-NH1 3.29Å; D412-R459 VanDerWaalsContact OD1-NH1 3.08Å
413	G	98.2	Very high	97.2	Very high	30 Å²	30	41.9 Å²	41.9	31%	0.309	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	15.3	174.8	0	0	0	0	0	115.7	H411	H411-G413 PolarHBondContact ND1-N 3.32Å; H411-G413 VanDerWaalsContact ND1-N 3.18Å; H411-G413 PolarHBondContact O-N 3.28Å; H411-G413 VanDerWaalsContact O-N 3.14Å
414	A	98.6	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	149.2	-175.6	0	0	0	0	0	112.9	Y410 H411 T458 I529 V530	Y410-A414 HydrophobicContact CD1-CB 3.74Å; Y410-A414 HydrophobicContact CG-CB 4.39Å; H411-A414 HydrophobicContact CB-CB 4.28Å; H411-A414 WeakPolarHBondContact O-CB 3.36Å; H411-A414 PolarHBondContact O-N 2.85Å; A414-T458 PolarHBondContact O-N 2.98Å; A414-I529 WeakPolarHBondContact CB-O 3.39Å; A414-V530 CarbonylContact C-O 3.53Å; A414-V530 VanDerWaalsContact CA-O 3.3Å; A414-V530 WeakPolarHBondContact CA-O 3.46Å
415	C	98.7	Very high	94.9	Very high	27 Å²	27	48.9 Å²	48.9	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.1	179.1	-65.3	0	0	0	0	111	L455 K456 V530 N531 D532	C415-L455 HydrophobicContact CB-CD1 4.28Å; C415-K456 VanDerWaalsContact CA-O 3.29Å; C415-K456 WeakPolarHBondContact CA-O 3.35Å; C415-V530 PolarHBondContact N-O 3Å; C415-N531 CarbonylContact O-C 3.51Å; C415-N531 WeakPolarHBondContact O-CA 3.37Å; C415-D532 PolarHBondContact O-N 3.45Å
416	C	98.8	Very high	93.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.2	175.8	-178.3	0	0	0	0	111.5	K456 V462 D532	C416-K456 HydrophobicContact CB-CB 4.38Å; C416-K456 PolarHBondContact N-O 2.86Å; C416-K456 PolarHBondContact O-N 3.24Å; C416-V462 HydrophobicContact CB-CB 4.18Å; C416-V462 HydrophobicContact CB-CG1 3.64Å; C416-V462 HydrophobicContact CB-CG2 3.67Å; C416-D532 CarbonylContact C-O 3.59Å; C416-D532 VanDerWaalsContact CA-O 3.24Å; C416-D532 WeakPolarHBondContact CA-O 3.49Å; C416-D532 HydrophobicContact CB-CB 4.36Å; C416-D532 PolarHBondContact SG-OD2 3.1Å
417	S	98.7	Very high	92.2	Very high	13 Å²	13	53.7 Å²	53.7	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	162.5	167.6	45.2	0	0	0	0	113.5	D532 E533 L534	S417-D532 PolarHBondContact N-O 3.15Å; S417-E533 VanDerWaalsContact C-OE2 3.26Å; S417-E533 VanDerWaalsContact CB-OE2 3.23Å; S417-E533 WeakPolarHBondContact CB-OE2 3.44Å; S417-E533 PolarHBondContact OG-OE2 2.89Å; S417-L534 PolarHBondContact O-N 2.88Å
418	L	98.7	Very high	90.9	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.2	-177.1	171.4	72.4	0	0	0	109.6	Y435 D438 S439 R440 F465 L469 L534 V536	L418-Y435 HydrophobicContact CD1-CD1 4.23Å; L418-Y435 HydrophobicContact CD2-CD1 3.96Å; L418-D438 HydrophobicContact CD2-CB 3.96Å; L418-S439 CarbonylContact O-C 3.59Å; L418-S439 WeakPolarHBondContact O-CA 3.28Å; L418-R440 PolarHBondContact O-N 3.09Å; L418-F465 HydrophobicContact CB-CE1 4.42Å; L418-F465 HydrophobicContact CB-CZ 3.96Å; L418-F465 HydrophobicContact CD2-CZ 4.13Å; L418-L469 HydrophobicContact CD2-CD2 4.39Å; L418-L534 CarbonylContact C-O 3.56Å; L418-L534 VanDerWaalsContact CA-O 3.3Å; L418-L534 WeakPolarHBondContact CA-O 3.48Å; L418-L534 HydrophobicContact CD1-CB 4.26Å; L418-L534 HydrophobicContact CD1-CD2 3.94Å; L418-L534 HydrophobicContact CD1-CG 3.88Å; L418-L534 WeakPolarHBondContact CD1-O 3.43Å; L418-V536 HydrophobicContact CD1-CG2 3.78Å
419	S	98.2	Very high	89.9	Confident	21 Å²	21	59.1 Å²	59.1	15%	0.147	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.6	174.1	56.2	0	0	0	0	111.8	E533 L534 F535 V536	S419-E533 VanDerWaalsContact CB-OE1 3.28Å; S419-E533 WeakPolarHBondContact CB-OE1 3.4Å; S419-E533 PolarHBondContact OG-OE1 2.95Å; S419-L534 PolarHBondContact N-O 3.45Å; S419-F535 WeakPolarHBondContact O-CA 3.41Å; S419-F535 WeakPolarHBondContact OG-CD2 3.45Å; S419-V536 PolarHBondContact O-N 2.89Å
420	I	97.1	Very high	89.3	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.051	32%	0.323	C	S	.	.			trans	-138	157.4	176.2	64.8	170.7	0	0	0	109	L432 F436 S439 V536	I420-L432 HydrophobicContact CB-CD1 4.43Å; I420-L432 HydrophobicContact CD1-CB 4.27Å; I420-F436 HydrophobicContact CD1-CB 4.06Å; I420-F436 HydrophobicContact CD1-CD2 3.78Å; I420-F436 HydrophobicContact CD1-CG 4.33Å; I420-S439 WeakPolarHBondContact CG1-OG 3.1Å; I420-S439 PolarHBondContact N-OG 2.95Å; I420-V536 WeakPolarHBondContact CA-O 3.35Å; I420-V536 HydrophobicContact CG2-CB 4.29Å; I420-V536 WeakPolarHBondContact CG2-O 3.35Å
421	P	95.9	Very high	88.8	Confident	49 Å²	49	61.2 Å²	61.2	32%	0.318	34%	0.336	S	S	.	.			trans	-61.6	149.3	175.2	25.1	-34.1	0	0	0	111.4	I423 L432 F535 V536 R537	P421-I423 PolarHBondContact O-N 3.12Å; P421-L432 HydrophobicContact CG-CD1 3.95Å; P421-F535 HydrophobicContact CB-CZ 4.29Å; P421-F535 HydrophobicContact CG-CZ 4.4Å; P421-V536 WeakPolarHBondContact CD-O 3.44Å; P421-R537 HydrophobicContact CG-CB 3.99Å
422	F	91.6	Very high	88.5	Confident	130 Å²	130	57.2 Å²	57.2	57%	0.57	32%	0.318	S	S	*	.			trans	-69.6	126	179	178.6	-101.2	0	0	0	111.1	P424 K444	F422-P424 HydrophobicContact CE1-CB 4.18Å; F422-K444 HydrophobicContact CD2-CD 4.33Å; F422-K444 HydrophobicContact CD2-CG 4.27Å; F422-K444 HydrophobicContact CE2-CD 4.25Å
423	I	86.9	Confident	88	Confident	39 Å²	39	53.7 Å²	53.7	20%	0.2	30%	0.303	C	S	.	.			trans	-106.2	112.9	-179.6	-48.6	179.6	0	0	0	109	P421 Q425 S430 L432	P421-I423 PolarHBondContact O-N 3.12Å; I423-Q425 PolarHBondContact O-N 2.95Å; I423-S430 WeakPolarHBondContact CD1-OG 3.48Å; I423-L432 HydrophobicContact CD1-CB 4.24Å; I423-L432 HydrophobicContact CD1-CD1 4.27Å
424	P	76.5	Confident	87.6	Confident	106 Å²	106	55.7 Å²	55.7	69%	0.688	30%	0.304	S	S	*	.			trans	-74	-22.2	-174.4	26.3	-32.7	0	0	0	113.9	F422	F422-P424 HydrophobicContact CE1-CB 4.18Å
425	Q	69.8	Low	87.4	Confident	162 Å²	162	55.9 Å²	55.9	76%	0.757	31%	0.305	S	S	*	.	S	Bend	trans	-131.3	127.6	-172.3	-63.5	-177.4	2.9	0	0	112	I423	I423-Q425 PolarHBondContact O-N 2.95Å
426	N	70.3	Confident	87.1	Confident	88 Å²	88	59.2 Å²	59.2	47%	0.471	32%	0.317	S	S	.	.			trans	42.5	72.3	172.8	-157.8	-3.7	0	0	0	116.1	A428 R429	N426-A428 PolarHBondContact O-N 3.43Å; N426-A428 VanDerWaalsContact O-N 3.09Å; N426-R429 WeakPolarHBondContact ND2-CD 3.45Å; N426-R429 PolarHBondContact O-N 2.96Å
427	P	70.2	Confident	86.7	Confident	48 Å²	48	67.5 Å²	67.5	31%	0.312	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-58.6	-27.9	-178.1	24.3	-34.1	0	0	0	113.1	R429 S430 F436	P427-R429 PolarHBondContact O-N 2.9Å; P427-S430 WeakPolarHBondContact O-CB 3.35Å; P427-S430 PolarHBondContact O-N 2.8Å; P427-F436 HydrophobicContact CB-CD1 4.43Å; P427-F436 HydrophobicContact CB-CD2 3.77Å; P427-F436 HydrophobicContact CB-CE1 4.15Å; P427-F436 HydrophobicContact CB-CE2 3.46Å; P427-F436 VanDerWaalsContact CB-CE2 3.46Å; P427-F436 HydrophobicContact CB-CG 4.27Å; P427-F436 HydrophobicContact CB-CZ 3.67Å; P427-F436 HydrophobicContact CG-CE1 4.45Å; P427-F436 HydrophobicContact CG-CE2 4.29Å; P427-F436 HydrophobicContact CG-CZ 4.04Å
428	A	70.1	Confident	86.6	Confident	83 Å²	83	69.1 Å²	69.1	69%	0.686	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.5	179.7	0	0	0	0	0	114.2	N426	N426-A428 PolarHBondContact O-N 3.43Å; N426-A428 VanDerWaalsContact O-N 3.09Å
429	R	76.9	Confident	86.5	Confident	217 Å²	217	70.2 Å²	70.2	82%	0.819	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-104.9	0.1	176.1	-71.1	-168.4	-179.4	178.8	-0.3	113.6	N426 P427	N426-R429 WeakPolarHBondContact ND2-CD 3.45Å; N426-R429 PolarHBondContact O-N 2.96Å; P427-R429 PolarHBondContact O-N 2.9Å
430	S	85	Confident	86.5	Confident	26 Å²	26	72.5 Å²	72.5	18%	0.182	37%	0.373	C	S	.	.	S	Bend	trans	-71	145.8	176.8	-177.4	0	0	0	0	110.7	I423 P427 L432 A433	I423-S430 WeakPolarHBondContact CD1-OG 3.48Å; P427-S430 WeakPolarHBondContact O-CB 3.35Å; P427-S430 PolarHBondContact O-N 2.8Å; S430-L432 PolarHBondContact O-N 2.91Å; S430-L432 PolarHBondContact OG-N 2.92Å; S430-A433 WeakPolarHBondContact O-CB 3.15Å; S430-A433 PolarHBondContact O-N 2.84Å
431	S	88.2	Confident	86.5	Confident	41 Å²	41	74.7 Å²	74.7	29%	0.287	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.3	165	53.3	0	0	0	0	112.3	A433 R511 N538	S431-A433 VanDerWaalsContact C-N 3.27Å; S431-A433 PolarHBondContact O-N 3.09Å; S431-R511 VanDerWaalsContact O-CZ 3.29Å; S431-R511 PolarHBondContact O-NH1 2.65Å; S431-R511 PolarHBondContact O-NH2 3.08Å; S431-N538 VanDerWaalsContact OG-CG 3.22Å; S431-N538 PolarHBondContact OG-ND2 3.48Å; S431-N538 PolarHBondContact OG-OD1 2.95Å
432	L	91.6	Very high	86.5	Confident	4 Å²	4	76 Å²	76	2%	0.021	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6.3	176.8	-56.5	-177.7	0	0	0	113.5	I420 P421 I423 S430 E434 Y435 F436 V536 N538	I420-L432 HydrophobicContact CB-CD1 4.43Å; I420-L432 HydrophobicContact CD1-CB 4.27Å; P421-L432 HydrophobicContact CG-CD1 3.95Å; I423-L432 HydrophobicContact CD1-CB 4.24Å; I423-L432 HydrophobicContact CD1-CD1 4.27Å; S430-L432 PolarHBondContact O-N 2.91Å; S430-L432 PolarHBondContact OG-N 2.92Å; L432-E434 PolarHBondContact O-N 3.15Å; L432-Y435 PolarHBondContact O-N 3.37Å; L432-Y435 VanDerWaalsContact O-N 3.14Å; L432-F436 PolarHBondContact O-N 3.45Å; L432-F436 VanDerWaalsContact O-N 3.11Å; L432-V536 HydrophobicContact CD2-CG1 4.48Å; L432-N538 WeakPolarHBondContact CD2-OD1 3.29Å
433	A	89.1	Confident	86.8	Confident	31 Å²	31	77.5 Å²	77.5	26%	0.256	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-30.1	-173.6	0	0	0	0	0	114	S430 S431 F436	S430-A433 WeakPolarHBondContact O-CB 3.15Å; S430-A433 PolarHBondContact O-N 2.84Å; S431-A433 VanDerWaalsContact C-N 3.27Å; S431-A433 PolarHBondContact O-N 3.09Å; A433-F436 WeakPolarHBondContact O-CB 3.37Å; A433-F436 PolarHBondContact O-N 3.23Å
434	E	89.4	Confident	87.1	Confident	72 Å²	72	81.5 Å²	81.5	34%	0.336	42%	0.415	S	S	.	.	H	α-helix	trans	-66.1	-39.1	178	-71.7	169.1	151.9	0	0	111.5	L432 S506	L432-E434 PolarHBondContact O-N 3.15Å; E434-S506 WeakPolarHBondContact OE2-CB 3.09Å; E434-S506 PolarHBondContact OE2-OG 3.16Å
435	Y	94.1	Very high	87.9	Confident	4 Å²	4	78.7 Å²	78.7	2%	0.016	39%	0.393	C	S	.	.	H	α-helix	trans	-81.7	-19.7	177.1	-58.4	-81.4	0	0	0	113.6	L418 L432 K437 D438 S439 L469 E501 V536	L418-Y435 HydrophobicContact CD1-CD1 4.23Å; L418-Y435 HydrophobicContact CD2-CD1 3.96Å; L432-Y435 PolarHBondContact O-N 3.37Å; L432-Y435 VanDerWaalsContact O-N 3.14Å; Y435-K437 PolarHBondContact O-N 2.68Å; Y435-D438 PolarHBondContact O-N 3.46Å; Y435-S439 PolarHBondContact O-N 3.21Å; Y435-L469 HydrophobicContact CD1-CD2 4.43Å; Y435-L469 HydrophobicContact CE1-CD2 4.47Å; Y435-E501 WeakPolarHBondContact CE2-OE1 3.25Å; Y435-E501 VanDerWaalsContact CZ-OE1 3.28Å; Y435-E501 PolarHBondContact OH-OE1 3.18Å; Y435-V536 HydrophobicContact CD1-CG2 4.41Å; Y435-V536 HydrophobicContact CD2-CG1 4.35Å; Y435-V536 HydrophobicContact CE1-CG2 4.41Å; Y435-V536 HydrophobicContact CE2-CG1 4.26Å
436	F	92.4	Very high	89.2	Confident	97 Å²	97	77.4 Å²	77.4	43%	0.425	39%	0.385	S	S	.	.	H	α-helix	trans	-59.7	-32.9	-173.7	-171.6	-84.7	0	0	0	113	I420 P427 L432 A433 D438 S439	I420-F436 HydrophobicContact CD1-CB 4.06Å; I420-F436 HydrophobicContact CD1-CD2 3.78Å; I420-F436 HydrophobicContact CD1-CG 4.33Å; P427-F436 HydrophobicContact CB-CD1 4.43Å; P427-F436 HydrophobicContact CB-CD2 3.77Å; P427-F436 HydrophobicContact CB-CE1 4.15Å; P427-F436 HydrophobicContact CB-CE2 3.46Å; P427-F436 VanDerWaalsContact CB-CE2 3.46Å; P427-F436 HydrophobicContact CB-CG 4.27Å; P427-F436 HydrophobicContact CB-CZ 3.67Å; P427-F436 HydrophobicContact CG-CE1 4.45Å; P427-F436 HydrophobicContact CG-CE2 4.29Å; P427-F436 HydrophobicContact CG-CZ 4.04Å; L432-F436 PolarHBondContact O-N 3.45Å; L432-F436 VanDerWaalsContact O-N 3.11Å; A433-F436 WeakPolarHBondContact O-CB 3.37Å; A433-F436 PolarHBondContact O-N 3.23Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 2.92Å; F436-S439 PolarHBondContact O-N 2.94Å
437	K	91.2	Very high	90.5	Very high	174 Å²	174	76.5 Å²	76.5	76%	0.757	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-29.8	-177	-66.4	-179.1	-177	172.6	0	113.6	Y435	Y435-K437 PolarHBondContact O-N 2.68Å
438	D	95.7	Very high	91.8	Very high	47 Å²	47	78.6 Å²	78.6	25%	0.251	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-0.2	-177.6	-69.6	-86.4	0	0	0	112.5	L418 Y435 F436 R440 K456 F465	L418-D438 HydrophobicContact CD2-CB 3.96Å; Y435-D438 PolarHBondContact O-N 3.46Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 2.92Å; D438-R440 PolarHBondContact O-N 3.03Å; D438-K456 IonicContact OD1-NZ 3.08Å; D438-K456 PolarHBondContact OD1-NZ 2.92Å; D438-F465 HydrophobicContact CB-CE2 3.75Å; D438-F465 HydrophobicContact CB-CZ 4.16Å
439	S	96.3	Very high	93.1	Very high	26 Å²	26	79.2 Å²	79.2	18%	0.182	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-64.7	124.7	-179.3	-173.2	0	0	0	0	112.8	L418 I420 Y435 F436	L418-S439 CarbonylContact O-C 3.59Å; L418-S439 WeakPolarHBondContact O-CA 3.28Å; I420-S439 WeakPolarHBondContact CG1-OG 3.1Å; I420-S439 PolarHBondContact N-OG 2.95Å; Y435-S439 PolarHBondContact O-N 3.21Å; F436-S439 PolarHBondContact O-N 2.94Å
440	R	97.7	Very high	94.1	Very high	68 Å²	68	72.3 Å²	72.3	26%	0.257	37%	0.368	S	S	.	.			trans	-106.7	105.8	179.6	-169	175.8	-176.7	-110.2	2.2	110.9	L418 D438 R451 L454	L418-R440 PolarHBondContact O-N 3.09Å; D438-R440 PolarHBondContact O-N 3.03Å; R440-R451 PolarHBondContact NE-O 3.22Å; R440-R451 PolarHBondContact NH2-O 3.45Å; R440-L454 HydrophobicContact CB-CB 4.07Å; R440-L454 HydrophobicContact CB-CD1 4.35Å; R440-L454 HydrophobicContact CG-CB 3.94Å; R440-L454 HydrophobicContact CG-CD1 4.37Å
441	N	96.9	Very high	94.7	Very high	57 Å²	57	74.2 Å²	74.2	31%	0.305	37%	0.372	S	S	.	.			trans	-125.3	100.1	174.6	-172.7	-37.9	0	0	0	111.4	K443 K444 L445	N441-K443 PolarHBondContact O-N 3.24Å; N441-K443 VanDerWaalsContact OD1-CB 3.27Å; N441-K443 WeakPolarHBondContact OD1-CB 3.23Å; N441-K443 PolarHBondContact OD1-N 3.29Å; N441-K444 HydrophobicContact CB-CB 4.41Å; N441-K444 PolarHBondContact O-N 3.46Å; N441-K444 PolarHBondContact OD1-N 3.33Å; N441-L445 PolarHBondContact O-N 2.89Å
442	V	97.4	Very high	95.1	Very high	75 Å²	75	79.4 Å²	79.4	46%	0.455	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.9	-176.8	-61.7	0	0	0	0	114.1	L445 K446 R451	V442-L445 VanDerWaalsContact O-O 3.11Å; V442-K446 PolarHBondContact O-NZ 2.58Å; V442-R451 HydrophobicContact CG1-CG 4.4Å; V442-R451 PolarHBondContact O-NH2 3.44Å
443	K	96.7	Very high	95.4	Very high	163 Å²	163	87.8 Å²	87.8	71%	0.709	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-36.9	173.1	-173.3	172	-177.5	167.4	0	110.9	N441 K446	N441-K443 PolarHBondContact O-N 3.24Å; N441-K443 VanDerWaalsContact OD1-CB 3.27Å; N441-K443 WeakPolarHBondContact OD1-CB 3.23Å; N441-K443 PolarHBondContact OD1-N 3.29Å; K443-K446 WeakPolarHBondContact O-CE 3.46Å; K443-K446 PolarHBondContact O-NZ 3.2Å
444	K	93.4	Very high	95.8	Very high	123 Å²	123	87.8 Å²	87.8	54%	0.535	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-41.5	-177.6	-62.9	-63.5	-174.6	173.4	0	113.5	F422 N441	F422-K444 HydrophobicContact CD2-CD 4.33Å; F422-K444 HydrophobicContact CD2-CG 4.27Å; F422-K444 HydrophobicContact CE2-CD 4.25Å; N441-K444 HydrophobicContact CB-CB 4.41Å; N441-K444 PolarHBondContact O-N 3.46Å; N441-K444 PolarHBondContact OD1-N 3.33Å
445	L	94	Very high	96.2	Very high	46 Å²	46	86.8 Å²	86.8	24%	0.241	41%	0.413	C	S	.	.			trans	-90.8	117.6	176.6	-178.4	65.4	0	0	0	109.6	N441 V442 D447 L450 R451 L454	N441-L445 PolarHBondContact O-N 2.89Å; V442-L445 VanDerWaalsContact O-O 3.11Å; L445-D447 HydrophobicContact CD1-CB 4.34Å; L445-L450 HydrophobicContact CD1-CB 4.18Å; L445-L450 HydrophobicContact CD1-CD1 3.96Å; L445-L450 HydrophobicContact CD2-CB 3.88Å; L445-L450 HydrophobicContact CG-CB 4.41Å; L445-R451 HydrophobicContact CD2-CG 4.11Å; L445-R451 HydrophobicContact CG-CG 4.29Å; L445-R451 PolarHBondContact O-NE 2.98Å; L445-R451 PolarHBondContact O-NH2 3.38Å; L445-L454 HydrophobicContact CD2-CD1 3.51Å
446	K	97.1	Very high	96.4	Very high	135 Å²	135	88.4 Å²	88.4	59%	0.587	42%	0.42	S	S	*	.			trans	-98.2	-21.1	-178.8	-60.1	-55	-176.2	-175	0	114.6	V442 K443	V442-K446 PolarHBondContact O-NZ 2.58Å; K443-K446 WeakPolarHBondContact O-CE 3.46Å; K443-K446 PolarHBondContact O-NZ 3.2Å
447	D	97.4	Very high	96.7	Very high	70 Å²	70	88.1 Å²	88.1	37%	0.374	42%	0.42	S	S	.	.			trans	-66	119.4	-179.6	-176.8	-38.2	0	0	0	111.5	L445 T449 L450 R451	L445-D447 HydrophobicContact CD1-CB 4.34Å; D447-T449 WeakPolarHBondContact OD1-CA 3.14Å; D447-T449 WeakPolarHBondContact OD1-CB 3.29Å; D447-T449 PolarHBondContact OD1-N 3.06Å; D447-L450 HydrophobicContact CB-CB 4.06Å; D447-L450 HydrophobicContact CB-CD1 3.96Å; D447-L450 HydrophobicContact CB-CG 4.13Å; D447-L450 PolarHBondContact OD1-N 3.25Å; D447-R451 WeakPolarHBondContact O-CD 3.3Å; D447-R451 WeakPolarHBondContact O-CG 3.33Å; D447-R451 PolarHBondContact O-N 3.47Å; D447-R451 VanDerWaalsContact O-N 3.07Å
448	P	97.6	Very high	97	Very high	91 Å²	91	82 Å²	82	59%	0.591	40%	0.397	S	S	*	.	H	α-helix	trans	-67.2	-36.6	-179.6	27.7	-33.9	0	0	0	113.5	R451 F452	P448-R451 WeakPolarHBondContact O-CB 3.25Å; P448-R451 PolarHBondContact O-N 3.05Å; P448-F452 PolarHBondContact O-N 2.99Å
449	T	97.5	Very high	97.2	Very high	96 Å²	96	82.8 Å²	82.8	59%	0.589	40%	0.396	S	S	*	.	H	α-helix	trans	-67.1	-41.8	179.9	-56.6	0	0	0	0	110.6	D447 F452 R453	D447-T449 WeakPolarHBondContact OD1-CA 3.14Å; D447-T449 WeakPolarHBondContact OD1-CB 3.29Å; D447-T449 PolarHBondContact OD1-N 3.06Å; T449-F452 PolarHBondContact O-N 2.82Å; T449-R453 WeakPolarHBondContact O-CG 3.37Å; T449-R453 PolarHBondContact O-N 3Å
450	L	96.5	Very high	97.3	Very high	73 Å²	73	87.2 Å²	87.2	38%	0.382	42%	0.418	S	S	.	.	H	α-helix	trans	-68.1	-38.1	174.4	-68.2	177	0	0	0	112	L445 D447 F452 R453 L454	L445-L450 HydrophobicContact CD1-CB 4.18Å; L445-L450 HydrophobicContact CD1-CD1 3.96Å; L445-L450 HydrophobicContact CD2-CB 3.88Å; L445-L450 HydrophobicContact CG-CB 4.41Å; D447-L450 HydrophobicContact CB-CB 4.06Å; D447-L450 HydrophobicContact CB-CD1 3.96Å; D447-L450 HydrophobicContact CB-CG 4.13Å; D447-L450 PolarHBondContact OD1-N 3.25Å; L450-F452 VanDerWaalsContact C-N 3.28Å; L450-F452 PolarHBondContact O-N 3.36Å; L450-R453 PolarHBondContact O-N 3.36Å; L450-L454 WeakPolarHBondContact O-CG 3.34Å; L450-L454 PolarHBondContact O-N 2.94Å
451	R	97.9	Very high	97.3	Very high	66 Å²	66	88.3 Å²	88.3	25%	0.249	43%	0.429	C	S	.	.	H	α-helix	trans	-61.7	-35.6	174.4	-74.2	163.4	174.7	-178.5	-6.8	112.9	R440 V442 L445 D447 P448	R440-R451 PolarHBondContact NE-O 3.22Å; R440-R451 PolarHBondContact NH2-O 3.45Å; V442-R451 HydrophobicContact CG1-CG 4.4Å; V442-R451 PolarHBondContact O-NH2 3.44Å; L445-R451 HydrophobicContact CD2-CG 4.11Å; L445-R451 HydrophobicContact CG-CG 4.29Å; L445-R451 PolarHBondContact O-NE 2.98Å; L445-R451 PolarHBondContact O-NH2 3.38Å; D447-R451 WeakPolarHBondContact O-CD 3.3Å; D447-R451 WeakPolarHBondContact O-CG 3.33Å; D447-R451 PolarHBondContact O-N 3.47Å; D447-R451 VanDerWaalsContact O-N 3.07Å; P448-R451 WeakPolarHBondContact O-CB 3.25Å; P448-R451 PolarHBondContact O-N 3.05Å
452	F	97.5	Very high	97.4	Very high	149 Å²	149	85.6 Å²	85.6	65%	0.654	41%	0.414	S	S	*	.	H	α-helix	trans	-68.2	-46	174.1	-178.8	-104.4	0	0	0	110.8	P448 T449 L450 L454 L455	P448-F452 PolarHBondContact O-N 2.99Å; T449-F452 PolarHBondContact O-N 2.82Å; L450-F452 VanDerWaalsContact C-N 3.28Å; L450-F452 PolarHBondContact O-N 3.36Å; F452-L454 VanDerWaalsContact C-N 3.32Å; F452-L454 PolarHBondContact O-N 3.05Å; F452-L455 PolarHBondContact O-N 3.45Å; F452-L455 VanDerWaalsContact O-N 3.11Å; F452-L455 VanDerWaalsContact O-O 3.13Å
453	R	96.7	Very high	97.4	Very high	181 Å²	181	82.2 Å²	82.2	68%	0.683	39%	0.394	S	S	*	.	H	α-helix	trans	-62.6	-32.2	178	-76.7	-173.4	58.9	179.9	-3.6	115	T449 L450 L455	T449-R453 WeakPolarHBondContact O-CG 3.37Å; T449-R453 PolarHBondContact O-N 3Å; L450-R453 PolarHBondContact O-N 3.36Å; R453-L455 VanDerWaalsContact C-N 3.27Å
454	L	97.9	Very high	97.5	Very high	31 Å²	31	77 Å²	77	16%	0.162	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.1	177.6	-70.6	173.3	0	0	0	113	R440 L445 L450 F452	R440-L454 HydrophobicContact CB-CB 4.07Å; R440-L454 HydrophobicContact CB-CD1 4.35Å; R440-L454 HydrophobicContact CG-CB 3.94Å; R440-L454 HydrophobicContact CG-CD1 4.37Å; L445-L454 HydrophobicContact CD2-CD1 3.51Å; L450-L454 WeakPolarHBondContact O-CG 3.34Å; L450-L454 PolarHBondContact O-N 2.94Å; F452-L454 VanDerWaalsContact C-N 3.32Å; F452-L454 PolarHBondContact O-N 3.05Å
455	L	98.6	Very high	97.7	Very high	50 Å²	50	71.9 Å²	71.9	26%	0.262	36%	0.358	S	S	.	.	S	Bend	trans	-91.7	123.1	172	-175.2	67.9	0	0	0	108.7	C415 F452 R453	C415-L455 HydrophobicContact CB-CD1 4.28Å; F452-L455 PolarHBondContact O-N 3.45Å; F452-L455 VanDerWaalsContact O-N 3.11Å; F452-L455 VanDerWaalsContact O-O 3.13Å; R453-L455 VanDerWaalsContact C-N 3.27Å
456	K	98.5	Very high	97.9	Very high	39 Å²	39	69.8 Å²	69.8	17%	0.17	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.5	175.8	-44.4	-56.2	174.6	173.3	0	107.8	C415 C416 D438 V462 F465	C415-K456 VanDerWaalsContact CA-O 3.29Å; C415-K456 WeakPolarHBondContact CA-O 3.35Å; C416-K456 HydrophobicContact CB-CB 4.38Å; C416-K456 PolarHBondContact N-O 2.86Å; C416-K456 PolarHBondContact O-N 3.24Å; D438-K456 IonicContact OD1-NZ 3.08Å; D438-K456 PolarHBondContact OD1-NZ 2.92Å; K456-V462 HydrophobicContact CB-CG2 4.15Å; K456-F465 HydrophobicContact CD-CB 4.02Å; K456-F465 HydrophobicContact CD-CD1 4.44Å; K456-F465 HydrophobicContact CD-CD2 4.39Å; K456-F465 HydrophobicContact CD-CG 4.03Å; K456-F465 VanDerWaalsContact CE-CD2 3.44Å; K456-F465 HydrophobicContact CG-CB 3.78Å; K456-F465 HydrophobicContact CG-CD1 3.69Å; K456-F465 HydrophobicContact CG-CD2 4.49Å; K456-F465 HydrophobicContact CG-CE1 4.4Å; K456-F465 HydrophobicContact CG-CG 3.72Å
457	H	98.2	Very high	97.9	Very high	91 Å²	91	65.9 Å²	65.9	42%	0.421	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.5	-179.9	-178.9	59.2	0	0	0	110	N461	H457-N461 VanDerWaalsContact O-CB 3.28Å; H457-N461 WeakPolarHBondContact O-CB 3.23Å; H457-N461 PolarHBondContact O-ND2 3.25Å
458	T	98.3	Very high	97.8	Very high	46 Å²	46	70.4 Å²	70.4	28%	0.282	35%	0.352	S	S	.	.	S	Bend	trans	80.4	143.1	-169.7	76.3	0	0	0	0	114.6	D412 A414 L460 N461 V462	D412-T458 WeakPolarHBondContact O-CA 3.36Å; D412-T458 WeakPolarHBondContact O-CB 3.39Å; A414-T458 PolarHBondContact O-N 2.98Å; T458-L460 PolarHBondContact O-N 2.99Å; T458-L460 VanDerWaalsContact O-N 3.13Å; T458-N461 PolarHBondContact O-N 3.05Å; T458-N461 VanDerWaalsContact O-N 3.1Å; T458-V462 VanDerWaalsContact O-CG2 3.32Å; T458-V462 WeakPolarHBondContact O-CG2 3.08Å; T458-V462 PolarHBondContact O-N 2.83Å
459	R	98.3	Very high	97.7	Very high	62 Å²	62	66.8 Å²	66.8	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-54.1	-34.8	-179.1	66.5	-167.6	-76.9	-161.2	-4.6	113.6	L407 D408 D412 V462 V463	L407-R459 HydrophobicContact CD2-CB 4.43Å; L407-R459 HydrophobicContact CD2-CG 4.16Å; L407-R459 PolarHBondContact O-NE 2.79Å; L407-R459 PolarHBondContact O-NH2 3.41Å; D408-R459 IonicContact OD1-NH2 3.95Å; D408-R459 PolarHBondContact OD1-NH2 3.09Å; D412-R459 PolarHBondContact O-N 3.21Å; D412-R459 WeakPolarHBondContact OD1-CD 3.49Å; D412-R459 IonicContact OD1-CZ 3.81Å; D412-R459 IonicContact OD1-NE 2.83Å; D412-R459 IonicContact OD1-NH1 3.79Å; D412-R459 PolarHBondContact OD1-NH1 3.29Å; D412-R459 VanDerWaalsContact OD1-NH1 3.08Å; R459-V462 PolarHBondContact O-N 3.38Å; R459-V463 WeakPolarHBondContact O-CG2 3.12Å; R459-V463 PolarHBondContact O-N 3.4Å
460	L	98.4	Very high	97.6	Very high	120 Å²	120	63.1 Å²	63.1	63%	0.628	31%	0.305	S	S	*	.	H	α-helix	trans	-63.7	-49.6	177.7	-69.2	175.4	0	0	0	111.7	L407 T458 V462 A464	L407-L460 HydrophobicContact CD2-CD2 4.05Å; T458-L460 PolarHBondContact O-N 2.99Å; T458-L460 VanDerWaalsContact O-N 3.13Å; L460-V462 VanDerWaalsContact C-N 3.31Å; L460-V462 PolarHBondContact O-N 3.26Å; L460-A464 WeakPolarHBondContact O-CB 3.4Å; L460-A464 PolarHBondContact O-N 3.22Å
461	N	98.3	Very high	97.6	Very high	91 Å²	91	64.1 Å²	64.1	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-68	-33.8	178.1	-70.3	-24.7	0	0	0	111.9	H457 T458 F465	H457-N461 VanDerWaalsContact O-CB 3.28Å; H457-N461 WeakPolarHBondContact O-CB 3.23Å; H457-N461 PolarHBondContact O-ND2 3.25Å; T458-N461 PolarHBondContact O-N 3.05Å; T458-N461 VanDerWaalsContact O-N 3.1Å; N461-F465 VanDerWaalsContact O-CB 3.25Å; N461-F465 WeakPolarHBondContact O-CB 3.4Å; N461-F465 PolarHBondContact O-N 2.98Å
462	V	98.7	Very high	97.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-56.2	175.6	171.3	0	0	0	0	110.3	Y410 C416 K456 T458 R459 L460 A464 F465 L466	Y410-V462 HydrophobicContact CD1-CG1 4.02Å; Y410-V462 HydrophobicContact CD2-CG1 4.18Å; Y410-V462 HydrophobicContact CE1-CG1 3.73Å; Y410-V462 HydrophobicContact CE2-CG1 3.91Å; Y410-V462 HydrophobicContact CG-CG1 4.25Å; C416-V462 HydrophobicContact CB-CB 4.18Å; C416-V462 HydrophobicContact CB-CG1 3.64Å; C416-V462 HydrophobicContact CB-CG2 3.67Å; K456-V462 HydrophobicContact CB-CG2 4.15Å; T458-V462 VanDerWaalsContact O-CG2 3.32Å; T458-V462 WeakPolarHBondContact O-CG2 3.08Å; T458-V462 PolarHBondContact O-N 2.83Å; R459-V462 PolarHBondContact O-N 3.38Å; L460-V462 VanDerWaalsContact C-N 3.31Å; L460-V462 PolarHBondContact O-N 3.26Å; V462-A464 VanDerWaalsContact C-N 3.35Å; V462-A464 PolarHBondContact O-N 2.9Å; V462-F465 WeakPolarHBondContact O-CB 3.49Å; V462-F465 PolarHBondContact O-N 3.44Å; V462-L466 HydrophobicContact CG1-CD1 4.02Å; V462-L466 HydrophobicContact CG1-CG 4.43Å; V462-L466 WeakPolarHBondContact O-CG 3.44Å; V462-L466 PolarHBondContact O-N 2.78Å
463	V	98.5	Very high	97.5	Very high	4 Å²	4	59 Å²	59	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-35.5	-177.2	177.1	0	0	0	0	111.6	R403 L406 L407 Y410 R459 L466 N467	R403-V463 WeakPolarHBondContact O-CG1 3.49Å; L406-V463 HydrophobicContact CB-CG2 4.13Å; L407-V463 HydrophobicContact CD2-CB 4.04Å; L407-V463 HydrophobicContact CD2-CG2 3.86Å; L407-V463 HydrophobicContact CG-CB 4.3Å; L407-V463 HydrophobicContact CG-CG1 4.26Å; L407-V463 HydrophobicContact CG-CG2 4.08Å; Y410-V463 HydrophobicContact CD2-CG2 4Å; Y410-V463 HydrophobicContact CE2-CG2 4.41Å; R459-V463 WeakPolarHBondContact O-CG2 3.12Å; R459-V463 PolarHBondContact O-N 3.4Å; V463-L466 PolarHBondContact O-N 3.19Å; V463-N467 PolarHBondContact O-N 3.07Å; V463-N467 PolarHBondContact O-ND2 2.86Å
464	A	98.2	Very high	97.5	Very high	53 Å²	53	51.2 Å²	51.2	44%	0.438	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-47.4	171.2	0	0	0	0	0	111.3	L460 V462 L466 N467 E468	L460-A464 WeakPolarHBondContact O-CB 3.4Å; L460-A464 PolarHBondContact O-N 3.22Å; V462-A464 VanDerWaalsContact C-N 3.35Å; V462-A464 PolarHBondContact O-N 2.9Å; A464-L466 PolarHBondContact O-N 3.23Å; A464-N467 PolarHBondContact O-N 3.33Å; A464-E468 PolarHBondContact O-N 3.01Å
465	F	98.1	Very high	97.5	Very high	16 Å²	16	50.5 Å²	50.5	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-43.7	174.9	165.6	-115.3	0	0	0	112.7	L418 D438 K456 N461 V462 N467 E468 L469	L418-F465 HydrophobicContact CB-CE1 4.42Å; L418-F465 HydrophobicContact CB-CZ 3.96Å; L418-F465 HydrophobicContact CD2-CZ 4.13Å; D438-F465 HydrophobicContact CB-CE2 3.75Å; D438-F465 HydrophobicContact CB-CZ 4.16Å; K456-F465 HydrophobicContact CD-CB 4.02Å; K456-F465 HydrophobicContact CD-CD1 4.44Å; K456-F465 HydrophobicContact CD-CD2 4.39Å; K456-F465 HydrophobicContact CD-CG 4.03Å; K456-F465 VanDerWaalsContact CE-CD2 3.44Å; K456-F465 HydrophobicContact CG-CB 3.78Å; K456-F465 HydrophobicContact CG-CD1 3.69Å; K456-F465 HydrophobicContact CG-CD2 4.49Å; K456-F465 HydrophobicContact CG-CE1 4.4Å; K456-F465 HydrophobicContact CG-CG 3.72Å; N461-F465 VanDerWaalsContact O-CB 3.25Å; N461-F465 WeakPolarHBondContact O-CB 3.4Å; N461-F465 PolarHBondContact O-N 2.98Å; V462-F465 WeakPolarHBondContact O-CB 3.49Å; V462-F465 PolarHBondContact O-N 3.44Å; F465-N467 VanDerWaalsContact C-N 3.27Å; F465-N467 PolarHBondContact O-N 2.82Å; F465-E468 WeakPolarHBondContact O-CB 3.39Å; F465-E468 PolarHBondContact O-N 2.91Å; F465-E468 VanDerWaalsContact O-N 3.09Å; F465-L469 HydrophobicContact CE1-CD1 4.38Å; F465-L469 HydrophobicContact CE2-CD2 3.9Å; F465-L469 HydrophobicContact CE2-CG 4.49Å; F465-L469 HydrophobicContact CZ-CD1 4.37Å; F465-L469 HydrophobicContact CZ-CD2 3.92Å; F465-L469 HydrophobicContact CZ-CG 4.41Å; F465-L469 PolarHBondContact O-N 3.1Å
466	L	98.2	Very high	97.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-35	177.7	-68.3	176.9	0	0	0	111.6	Y398 R403 L406 Y410 V462 V463 A464 E468 L469	Y398-L466 HydrophobicContact CE2-CD1 4.45Å; Y398-L466 HydrophobicContact CE2-CD2 4.1Å; R403-L466 WeakPolarHBondContact CD-O 3.45Å; R403-L466 PolarHBondContact NH1-O 2.98Å; L406-L466 HydrophobicContact CD1-CD1 4.01Å; Y410-L466 HydrophobicContact CE2-CD1 3.88Å; Y410-L466 WeakPolarHBondContact OH-CD1 3.41Å; V462-L466 HydrophobicContact CG1-CD1 4.02Å; V462-L466 HydrophobicContact CG1-CG 4.43Å; V462-L466 WeakPolarHBondContact O-CG 3.44Å; V462-L466 PolarHBondContact O-N 2.78Å; V463-L466 PolarHBondContact O-N 3.19Å; A464-L466 PolarHBondContact O-N 3.23Å; L466-E468 VanDerWaalsContact C-N 3.3Å; L466-E468 PolarHBondContact O-N 2.96Å; L466-L469 HydrophobicContact CD2-CD1 3.85Å; L466-L469 WeakPolarHBondContact O-CB 3.3Å; L466-L469 PolarHBondContact O-N 2.99Å
467	N	96.4	Very high	97.1	Very high	53 Å²	53	55.9 Å²	55.9	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-67.2	-26.7	174.1	-86.6	-41.3	0	0	0	113.5	R403 V463 A464 F465 L469	R403-N467 VanDerWaalsContact CB-OD1 3.26Å; R403-N467 WeakPolarHBondContact CB-OD1 3.48Å; R403-N467 PolarHBondContact N-OD1 2.92Å; V463-N467 PolarHBondContact O-N 3.07Å; V463-N467 PolarHBondContact O-ND2 2.86Å; A464-N467 PolarHBondContact O-N 3.33Å; F465-N467 VanDerWaalsContact C-N 3.27Å; F465-N467 PolarHBondContact O-N 2.82Å; N467-L469 VanDerWaalsContact C-N 3.29Å
468	E	95.5	Very high	96.9	Very high	166 Å²	166	53.8 Å²	53.8	78%	0.776	28%	0.283	S	S	*	.	H	α-helix	trans	-76.4	-15.2	174.9	-63.7	-62.9	136.1	0	0	113.2	A464 F465 L466	A464-E468 PolarHBondContact O-N 3.01Å; F465-E468 WeakPolarHBondContact O-CB 3.39Å; F465-E468 PolarHBondContact O-N 2.91Å; F465-E468 VanDerWaalsContact O-N 3.09Å; L466-E468 VanDerWaalsContact C-N 3.3Å; L466-E468 PolarHBondContact O-N 2.96Å
469	L	95.8	Very high	96.9	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.073	27%	0.274	C	S	.	.	S	Bend	trans	-72.9	149.3	175.2	-60.1	-179	0	0	0	110.9	R403 L418 Y435 F465 L466 N467 L534	R403-L469 PolarHBondContact NH1-O 3.22Å; L418-L469 HydrophobicContact CD2-CD2 4.39Å; Y435-L469 HydrophobicContact CD1-CD2 4.43Å; Y435-L469 HydrophobicContact CE1-CD2 4.47Å; F465-L469 HydrophobicContact CE1-CD1 4.38Å; F465-L469 HydrophobicContact CE2-CD2 3.9Å; F465-L469 HydrophobicContact CE2-CG 4.49Å; F465-L469 HydrophobicContact CZ-CD1 4.37Å; F465-L469 HydrophobicContact CZ-CD2 3.92Å; F465-L469 HydrophobicContact CZ-CG 4.41Å; F465-L469 PolarHBondContact O-N 3.1Å; L466-L469 HydrophobicContact CD2-CD1 3.85Å; L466-L469 WeakPolarHBondContact O-CB 3.3Å; L466-L469 PolarHBondContact O-N 2.99Å; N467-L469 VanDerWaalsContact C-N 3.29Å; L469-L534 HydrophobicContact CD1-CD2 4.34Å
470	P	94.8	Very high	96.9	Very high	20 Å²	20	52 Å²	52	13%	0.13	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-51.6	150.5	176.3	-25.7	34.3	0	0	0	112.5	R403 E501	R403-P470 PolarHBondContact NH1-O 2.65Å; R403-P470 PolarHBondContact NH2-O 2.88Å; P470-E501 HydrophobicContact CB-CG 4.32Å
471	K	96.2	Very high	96.9	Very high	94 Å²	94	46.3 Å²	46.3	41%	0.409	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-70.1	144.1	176	-66.2	-176.4	-179.2	-167.2	0	110	E501 V502 D503	K471-E501 CarbonylContact O-C 3.59Å; K471-E501 VanDerWaalsContact O-CA 3.32Å; K471-E501 WeakPolarHBondContact O-CA 3.45Å; K471-V502 HydrophobicContact CB-CG2 3.37Å; K471-V502 PolarHBondContact O-N 3.26Å; K471-D503 WeakPolarHBondContact CG-OD2 3.4Å; K471-D503 PolarHBondContact N-OD1 3.23Å
472	T	96.9	Very high	96.9	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.043	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	162.2	-168.5	50.6	0	0	0	0	112.4	Y398 D399 R403 H474 F499 K500	Y398-T472 VanDerWaalsContact CD1-OG1 3.25Å; Y398-T472 WeakPolarHBondContact CD1-OG1 3.36Å; Y398-T472 HydrophobicContact CE1-CG2 4.24Å; Y398-T472 VanDerWaalsContact CE1-OG1 3.3Å; Y398-T472 WeakPolarHBondContact CE1-OG1 3.48Å; D399-T472 WeakPolarHBondContact CB-O 3.39Å; D399-T472 VanDerWaalsContact OD1-C 3.26Å; D399-T472 WeakPolarHBondContact OD1-CB 3.41Å; D399-T472 VanDerWaalsContact OD1-O 3.1Å; D399-T472 PolarHBondContact OD1-OG1 2.96Å; R403-T472 PolarHBondContact NH2-OG1 3.32Å; T472-H474 PolarHBondContact OG1-CE1 2.97Å; T472-F499 HydrophobicContact CG2-CD2 3.57Å; T472-F499 HydrophobicContact CG2-CE2 3.76Å; T472-F499 HydrophobicContact CG2-CG 4.28Å; T472-K500 CarbonylContact C-O 3.54Å; T472-K500 WeakPolarHBondContact CA-O 3.13Å
473	Q	96.6	Very high	96.9	Very high	100 Å²	100	45.6 Å²	45.6	47%	0.467	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	113.8	165.3	-177.5	-178.3	16.8	0	0	107.8	F499 K500 V502 F548	Q473-F499 CarbonylContact O-C 3.3Å; Q473-F499 VanDerWaalsContact O-CA 3.25Å; Q473-F499 WeakPolarHBondContact O-CA 3.27Å; Q473-F499 WeakPolarHBondContact O-CB 3.43Å; Q473-K500 PolarHBondContact N-O 3Å; Q473-K500 PolarHBondContact O-N 2.95Å; Q473-V502 HydrophobicContact CB-CG1 4.2Å; Q473-F548 HydrophobicContact CG-CE1 4.29Å
474	H	98.1	Very high	96.9	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.2	-178.2	-68.8	73.7	0	0	0	111.9	Y395 Y398 D399 T472 V476 F479 F499 F513	Y395-H474 HydrophobicContact CD1-CB 4.06Å; Y395-H474 AromaticContact CD1-CD2 3.58Å; Y395-H474 AromaticContact CD1-CE1 3.71Å; Y395-H474 AromaticContact CD1-CG 3.43Å; Y395-H474 VanDerWaalsContact CD1-CG 3.43Å; Y395-H474 AromaticContact CD1-ND1 3.51Å; Y395-H474 AromaticContact CD1-NE2 3.79Å; Y395-H474 AromaticContact CE1-CD2 3.27Å; Y395-H474 WeakPolarHBondContact CE1-CD2 3.43Å; Y395-H474 AromaticContact CE1-CE1 3.6Å; Y395-H474 AromaticContact CE1-CG 3.67Å; Y395-H474 AromaticContact CE1-ND1 3.84Å; Y395-H474 AromaticContact CE1-NE2 3.26Å; Y395-H474 VanDerWaalsContact CE1-NE2 3.26Å; Y395-H474 WeakPolarHBondContact CE1-NE2 3.35Å; Y398-H474 AromaticContact CD1-CE1 3.7Å; Y398-H474 AromaticContact CE1-CE1 3.83Å; D399-H474 VanDerWaalsContact CG-ND1 3.35Å; D399-H474 IonicContact OD1-CE1 3.3Å; D399-H474 PolarHBondContact OD1-CE1 3.01Å; D399-H474 IonicContact OD1-CG 3.48Å; D399-H474 IonicContact OD1-ND1 3.5Å; D399-H474 PolarHBondContact OD1-ND1 3.13Å; D399-H474 WeakPolarHBondContact OD2-CB 3.5Å; D399-H474 IonicContact OD2-CG 2.7Å; D399-H474 PolarHBondContact OD2-N 2.85Å; D399-H474 IonicContact OD2-ND1 2.75Å; D399-H474 PolarHBondContact OD2-ND1 3.23Å; D399-H474 VanDerWaalsContact OD2-ND1 3.15Å; T472-H474 PolarHBondContact OG1-CE1 2.97Å; H474-V476 HydrophobicContact CB-CG2 4.25Å; H474-V476 PolarHBondContact O-N 3.5Å; H474-F479 HydrophobicContact CB-CE1 4.11Å; H474-F479 HydrophobicContact CB-CZ 3.82Å; H474-F499 HydrophobicContact CB-CB 4.45Å; H474-F499 VanDerWaalsContact CD2-CB 3.49Å; H474-F499 WeakPolarHBondContact CD2-CB 3.4Å; H474-F499 AromaticContact NE2-CD1 3.6Å; H474-F499 AromaticContact NE2-CG 3.74Å; H474-F513 AromaticContact CD2-CE1 3.59Å
475	D	96.3	Very high	96.9	Very high	15 Å²	15	48.8 Å²	48.8	8%	0.08	27%	0.266	C	S	.	.			trans	-88.7	78.6	168.1	-171.3	-4	0	0	0	110	N477 S478 F479 V498 F548	D475-N477 PolarHBondContact O-N 2.91Å; D475-S478 VanDerWaalsContact CG-CB 3.45Å; D475-S478 PolarHBondContact O-N 3.04Å; D475-S478 PolarHBondContact OD1-N 3.07Å; D475-S478 WeakPolarHBondContact OD2-CB 3.38Å; D475-F479 WeakPolarHBondContact O-CD1 3.27Å; D475-F479 WeakPolarHBondContact O-CE1 3.32Å; D475-V498 HydrophobicContact CB-CG2 3.93Å; D475-V498 PolarHBondContact N-O 3.27Å; D475-V498 VanDerWaalsContact N-O 3.17Å; D475-F548 HydrophobicContact CB-CD1 4.03Å; D475-F548 HydrophobicContact CB-CE1 3.86Å; D475-F548 HydrophobicContact CB-CZ 4.31Å; D475-F548 WeakPolarHBondContact OD2-CA 3.34Å; D475-F548 PolarHBondContact OD2-N 2.87Å
476	V	96.1	Very high	96.8	Very high	44 Å²	44	53.7 Å²	53.7	27%	0.267	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.7	-29.2	-176	-178.1	0	0	0	0	112.1	Q392 H474 S478 F479	Q392-V476 HydrophobicContact CG-CG1 4.3Å; H474-V476 HydrophobicContact CB-CG2 4.25Å; H474-V476 PolarHBondContact O-N 3.5Å; V476-S478 PolarHBondContact O-N 3.43Å; V476-F479 HydrophobicContact CB-CE2 4.33Å; V476-F479 HydrophobicContact CB-CZ 4.47Å; V476-F479 HydrophobicContact CG1-CD2 4.14Å; V476-F479 HydrophobicContact CG1-CE2 4.18Å; V476-F479 HydrophobicContact CG2-CE2 4.12Å; V476-F479 HydrophobicContact CG2-CZ 4.06Å; V476-F479 WeakPolarHBondContact O-CB 3.11Å; V476-F479 PolarHBondContact O-N 3.48Å
477	N	93.6	Very high	96.8	Very high	159 Å²	159	57 Å²	57	85%	0.85	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-70.2	-23.6	178.8	-63.8	-34.2	0	0	0	112.6	D475	D475-N477 PolarHBondContact O-N 2.91Å
478	S	94.7	Very high	96.7	Very high	46 Å²	46	60 Å²	60	32%	0.322	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-94.6	4.5	-180	-164.7	0	0	0	0	112.9	D475 V476 V480	D475-S478 VanDerWaalsContact CG-CB 3.45Å; D475-S478 PolarHBondContact O-N 3.04Å; D475-S478 PolarHBondContact OD1-N 3.07Å; D475-S478 WeakPolarHBondContact OD2-CB 3.38Å; V476-S478 PolarHBondContact O-N 3.43Å; S478-V480 PolarHBondContact O-N 3.46Å
479	F	97.8	Very high	96.8	Very high	18 Å²	18	56.5 Å²	56.5	8%	0.079	33%	0.325	C	S	.	.			trans	-66.4	134	-179.3	-76.1	4.2	0	0	0	112.4	L391 Y395 H474 D475 V476 V481 V495 N496 F513	L391-F479 HydrophobicContact CD1-CD2 4.37Å; Y395-F479 HydrophobicContact CD1-CZ 4.27Å; Y395-F479 AromaticContact CD2-CE2 3.51Å; Y395-F479 HydrophobicContact CD2-CE2 3.51Å; Y395-F479 AromaticContact CD2-CZ 3.98Å; Y395-F479 HydrophobicContact CD2-CZ 3.98Å; Y395-F479 HydrophobicContact CE1-CZ 4.23Å; Y395-F479 AromaticContact CE2-CE2 3.53Å; Y395-F479 HydrophobicContact CE2-CE2 3.53Å; Y395-F479 AromaticContact CE2-CZ 3.93Å; Y395-F479 HydrophobicContact CE2-CZ 3.93Å; Y395-F479 HydrophobicContact CG-CE2 4.06Å; Y395-F479 HydrophobicContact CG-CZ 4.12Å; H474-F479 HydrophobicContact CB-CE1 4.11Å; H474-F479 HydrophobicContact CB-CZ 3.82Å; D475-F479 WeakPolarHBondContact O-CD1 3.27Å; D475-F479 WeakPolarHBondContact O-CE1 3.32Å; V476-F479 HydrophobicContact CB-CE2 4.33Å; V476-F479 HydrophobicContact CB-CZ 4.47Å; V476-F479 HydrophobicContact CG1-CD2 4.14Å; V476-F479 HydrophobicContact CG1-CE2 4.18Å; V476-F479 HydrophobicContact CG2-CE2 4.12Å; V476-F479 HydrophobicContact CG2-CZ 4.06Å; V476-F479 WeakPolarHBondContact O-CB 3.11Å; V476-F479 PolarHBondContact O-N 3.48Å; F479-V481 HydrophobicContact CB-CG2 4.46Å; F479-V495 HydrophobicContact CB-CG1 4.16Å; F479-V495 HydrophobicContact CD1-CG1 4.49Å; F479-V495 HydrophobicContact CD2-CG1 3.58Å; F479-V495 HydrophobicContact CE2-CG1 4.02Å; F479-V495 HydrophobicContact CG-CG1 3.84Å; F479-N496 WeakPolarHBondContact CA-O 3.47Å; F479-F513 HydrophobicContact CD1-CE1 4.42Å; F479-F513 HydrophobicContact CD1-CZ 4.24Å; F479-F513 AromaticContact CE1-CE1 3.67Å; F479-F513 HydrophobicContact CE1-CE1 3.67Å; F479-F513 AromaticContact CE1-CZ 3.6Å; F479-F513 HydrophobicContact CE1-CZ 3.6Å; F479-F513 HydrophobicContact CE2-CZ 4.34Å; F479-F513 HydrophobicContact CZ-CE1 4.07Å; F479-F513 AromaticContact CZ-CZ 3.65Å; F479-F513 HydrophobicContact CZ-CZ 3.65Å
480	V	98.3	Very high	96.9	Very high	53 Å²	53	58.8 Å²	58.8	32%	0.321	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.3	169.9	-178	0	0	0	0	108.3	S376 S478 N496	S376-V480 WeakPolarHBondContact OG-CA 3.24Å; S478-V480 PolarHBondContact O-N 3.46Å; V480-N496 HydrophobicContact CB-CB 4.29Å; V480-N496 PolarHBondContact N-O 3Å; V480-N496 PolarHBondContact O-N 3.22Å
481	V	98.6	Very high	97	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.3	-172	-176.9	0	0	0	0	110.3	S376 Y377 F378 V387 L391 F479 S494 V495	S376-V481 CarbonylContact C-O 3.6Å; S376-V481 WeakPolarHBondContact CA-O 3.35Å; S376-V481 VanDerWaalsContact CB-O 3.27Å; S376-V481 WeakPolarHBondContact CB-O 3.25Å; S376-V481 PolarHBondContact OG-N 3.49Å; Y377-V481 PolarHBondContact N-O 3.45Å; F378-V481 HydrophobicContact CD1-CB 4.47Å; F378-V481 HydrophobicContact CD1-CG1 4.21Å; F378-V481 HydrophobicContact CE1-CB 3.6Å; F378-V481 HydrophobicContact CE1-CG1 3.64Å; F378-V481 HydrophobicContact CE1-CG2 4.16Å; F378-V481 HydrophobicContact CZ-CB 3.76Å; F378-V481 HydrophobicContact CZ-CG1 4.33Å; F378-V481 HydrophobicContact CZ-CG2 4.19Å; V387-V481 HydrophobicContact CG1-CG1 3.88Å; L391-V481 HydrophobicContact CD1-CG2 3.7Å; F479-V481 HydrophobicContact CB-CG2 4.46Å; V481-S494 WeakPolarHBondContact CA-O 3.38Å; V481-V495 HydrophobicContact CG2-CG1 4.47Å; V481-V495 HydrophobicContact CG2-CG2 4.45Å
482	D	98.6	Very high	97.1	Very high	58 Å²	58	54.8 Å²	54.8	31%	0.31	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.1	176.7	-64.6	-40.8	0	0	0	110.3	S484 F493 S494	D482-S484 PolarHBondContact O-N 2.7Å; D482-F493 CarbonylContact O-C 3.44Å; D482-F493 VanDerWaalsContact O-CA 3.23Å; D482-F493 WeakPolarHBondContact O-CA 3.43Å; D482-S494 PolarHBondContact N-O 3.41Å; D482-S494 PolarHBondContact O-N 3.2Å
483	I	98.3	Very high	97.2	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.097	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	109.6	170.8	-59.5	-170.4	0	0	0	108.8	Y377 F378 L383 V387 L491 F493	Y377-I483 PolarHBondContact O-N 2.77Å; F378-I483 HydrophobicContact CB-CD1 4.29Å; F378-I483 HydrophobicContact CD1-CD1 4.37Å; F378-I483 WeakPolarHBondContact O-CD1 3.02Å; L383-I483 HydrophobicContact CB-CD1 3.58Å; L383-I483 HydrophobicContact CD1-CD1 3.71Å; L383-I483 HydrophobicContact CD1-CG2 4.49Å; L383-I483 HydrophobicContact CG-CD1 4.19Å; V387-I483 HydrophobicContact CG2-CD1 4.15Å; I483-L491 HydrophobicContact CG2-CD1 3.78Å; I483-F493 HydrophobicContact CG1-CB 4.19Å
484	S	97.8	Very high	97.3	Very high	78 Å²	78	50.7 Å²	50.7	55%	0.545	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-39.1	-176	-49.8	0	0	0	0	112.3	D482 C492	D482-S484 PolarHBondContact O-N 2.7Å; S484-C492 PolarHBondContact N-O 3.41Å
485	A	97.8	Very high	97.4	Very high	45 Å²	45	49.8 Å²	49.8	37%	0.372	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	143.4	178.7	0	0	0	0	0	111.5	C492	A485-C492 HydrophobicContact CB-CB 4.26Å; A485-C492 PolarHBondContact N-O 2.87Å; A485-C492 PolarHBondContact O-N 3.22Å
486	Q	97.2	Very high	97.5	Very high	119 Å²	119	51.5 Å²	51.5	56%	0.556	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.7	172.3	-177.9	-162.8	5.3	0	0	108.9	L383 L491	L383-Q486 HydrophobicContact CD1-CG 4.43Å; Q486-L491 HydrophobicContact CB-CD1 3.96Å; Q486-L491 HydrophobicContact CG-CD1 4.06Å
487	T	96.8	Very high	97.6	Very high	72 Å²	72	49.9 Å²	49.9	44%	0.442	30%	0.3	S	S	.	.			trans	-136.1	178.2	171	66.4	0	0	0	0	109.1	T489 L490	T487-T489 PolarHBondContact O-N 3.28Å; T487-T489 PolarHBondContact OG1-N 2.88Å; T487-T489 PolarHBondContact OG1-OG1 3.4Å; T487-L490 PolarHBondContact N-O 3.47Å; T487-L490 WeakPolarHBondContact OG1-CG 3.45Å; T487-L490 PolarHBondContact OG1-N 3.28Å; T487-L490 PolarHBondContact OG1-O 2.87Å; T487-L490 VanDerWaalsContact OG1-O 3.06Å
488	S	95.1	Very high	97.8	Very high	115 Å²	115	42.7 Å²	42.7	80%	0.804	26%	0.262	S	S	*	.	S	Bend	trans	-66.3	-23.1	171.9	51.9	0	0	0	0	113.4
489	T	97.4	Very high	97.9	Very high	92 Å²	92	40.8 Å²	40.8	56%	0.564	25%	0.248	S	C	*	.	S	Bend	trans	-105.1	-23.6	-173.4	54.7	0	0	0	0	114	T487 V520 P521	T487-T489 PolarHBondContact O-N 3.28Å; T487-T489 PolarHBondContact OG1-N 2.88Å; T487-T489 PolarHBondContact OG1-OG1 3.4Å; T489-V520 WeakPolarHBondContact O-CG1 3.36Å; T489-P521 WeakPolarHBondContact O-CD 3.26Å
490	L	97.1	Very high	97.8	Very high	62 Å²	62	43.1 Å²	43.1	33%	0.325	26%	0.258	S	S	.	.			trans	-150.2	154.8	-178.6	71.6	86.7	0	0	0	113	T487 C492 I518 A519	T487-L490 PolarHBondContact N-O 3.47Å; T487-L490 WeakPolarHBondContact OG1-CG 3.45Å; T487-L490 PolarHBondContact OG1-N 3.28Å; T487-L490 PolarHBondContact OG1-O 2.87Å; T487-L490 VanDerWaalsContact OG1-O 3.06Å; L490-C492 HydrophobicContact CD1-CB 4.38Å; L490-I518 HydrophobicContact CB-CG2 4.29Å; L490-I518 HydrophobicContact CD1-CG2 4.32Å; L490-A519 CarbonylContact C-O 3.52Å; L490-A519 VanDerWaalsContact CA-O 3.29Å; L490-A519 WeakPolarHBondContact CA-O 3.39Å
491	L	98.3	Very high	97.7	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.2	169.6	-179.4	68.4	0	0	0	108.8	L383 V387 I483 Q486 F493 I518 A519 L527	L383-L491 HydrophobicContact CD1-CD1 4.48Å; L383-L491 HydrophobicContact CD2-CD1 4.11Å; L383-L491 HydrophobicContact CD2-CD2 4.25Å; V387-L491 HydrophobicContact CG2-CD2 3.89Å; I483-L491 HydrophobicContact CG2-CD1 3.78Å; Q486-L491 HydrophobicContact CB-CD1 3.96Å; Q486-L491 HydrophobicContact CG-CD1 4.06Å; L491-F493 HydrophobicContact CD2-CD1 4.12Å; L491-F493 HydrophobicContact CD2-CE1 4.31Å; L491-F493 HydrophobicContact CG-CD1 4.03Å; L491-I518 WeakPolarHBondContact O-CA 3.49Å; L491-A519 PolarHBondContact N-O 2.7Å; L491-A519 PolarHBondContact O-N 2.73Å; L491-L527 HydrophobicContact CD2-CD1 4Å; L491-L527 HydrophobicContact CD2-CD2 4.17Å
492	C	98.7	Very high	97.4	Very high	20 Å²	20	43.6 Å²	43.6	14%	0.135	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.7	176.8	-178.9	0	0	0	0	109.8	S484 A485 L490 F517 I518	S484-C492 PolarHBondContact N-O 3.41Å; A485-C492 HydrophobicContact CB-CB 4.26Å; A485-C492 PolarHBondContact N-O 2.87Å; A485-C492 PolarHBondContact O-N 3.22Å; L490-C492 HydrophobicContact CD1-CB 4.38Å; C492-F517 WeakPolarHBondContact CA-O 3.45Å; C492-I518 HydrophobicContact CB-CG1 4.33Å
493	F	98.7	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.6	179.2	58.7	-82.7	0	0	0	111.8	V387 F390 L391 D482 I483 L491 V495 F517 A519 L527	V387-F493 HydrophobicContact CG1-CD2 3.85Å; V387-F493 HydrophobicContact CG1-CE2 3.94Å; V387-F493 HydrophobicContact CG1-CG 4.29Å; V387-F493 HydrophobicContact CG1-CZ 4.46Å; F390-F493 HydrophobicContact CD1-CE2 4.26Å; F390-F493 AromaticContact CD1-CZ 3.85Å; F390-F493 HydrophobicContact CD1-CZ 3.85Å; F390-F493 HydrophobicContact CE1-CE2 4.14Å; F390-F493 AromaticContact CE1-CZ 3.65Å; F390-F493 HydrophobicContact CE1-CZ 3.65Å; F390-F493 HydrophobicContact CZ-CZ 4.48Å; L391-F493 HydrophobicContact CD2-CE2 4.21Å; D482-F493 CarbonylContact O-C 3.44Å; D482-F493 VanDerWaalsContact O-CA 3.23Å; D482-F493 WeakPolarHBondContact O-CA 3.43Å; I483-F493 HydrophobicContact CG1-CB 4.19Å; L491-F493 HydrophobicContact CD2-CD1 4.12Å; L491-F493 HydrophobicContact CD2-CE1 4.31Å; L491-F493 HydrophobicContact CG-CD1 4.03Å; F493-V495 HydrophobicContact CD2-CG2 4.04Å; F493-V495 HydrophobicContact CE2-CG2 4.29Å; F493-F517 HydrophobicContact CD1-CB 4.34Å; F493-F517 HydrophobicContact CD2-CB 4.29Å; F493-F517 HydrophobicContact CD2-CD2 4.12Å; F493-F517 HydrophobicContact CE1-CB 3.85Å; F493-F517 HydrophobicContact CE2-CB 3.78Å; F493-F517 AromaticContact CE2-CD2 3.46Å; F493-F517 HydrophobicContact CE2-CD2 3.46Å; F493-F517 VanDerWaalsContact CE2-CD2 3.46Å; F493-F517 HydrophobicContact CE2-CE2 4.36Å; F493-F517 AromaticContact CE2-CG 3.97Å; F493-F517 HydrophobicContact CE2-CG 3.97Å; F493-F517 HydrophobicContact CZ-CB 3.54Å; F493-F517 AromaticContact CZ-CD2 3.96Å; F493-F517 HydrophobicContact CZ-CD2 3.96Å; F493-F517 HydrophobicContact CZ-CG 4.01Å; F493-F517 PolarHBondContact N-O 3.49Å; F493-F517 PolarHBondContact O-N 2.72Å; F493-A519 HydrophobicContact CE1-CB 4.47Å; F493-L527 HydrophobicContact CE1-CD1 4.3Å
494	S	98.7	Very high	96.1	Very high	20 Å²	20	45.2 Å²	45.2	14%	0.14	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.1	177.9	-60.6	0	0	0	0	110	V481 D482 R515	V481-S494 WeakPolarHBondContact CA-O 3.38Å; D482-S494 PolarHBondContact N-O 3.41Å; D482-S494 PolarHBondContact O-N 3.2Å; S494-R515 CarbonylContact C-O 3.58Å; S494-R515 WeakPolarHBondContact CA-O 3.31Å
495	V	98.8	Very high	95.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.1	178.8	-173.9	0	0	0	0	108.4	L391 F479 V481 F493 F513 T514 R515 F517	L391-V495 HydrophobicContact CD1-CG1 4.37Å; L391-V495 HydrophobicContact CD1-CG2 3.81Å; L391-V495 HydrophobicContact CD2-CG2 3.74Å; L391-V495 HydrophobicContact CG-CG2 4.44Å; F479-V495 HydrophobicContact CB-CG1 4.16Å; F479-V495 HydrophobicContact CD1-CG1 4.49Å; F479-V495 HydrophobicContact CD2-CG1 3.58Å; F479-V495 HydrophobicContact CE2-CG1 4.02Å; F479-V495 HydrophobicContact CG-CG1 3.84Å; V481-V495 HydrophobicContact CG2-CG1 4.47Å; V481-V495 HydrophobicContact CG2-CG2 4.45Å; F493-V495 HydrophobicContact CD2-CG2 4.04Å; F493-V495 HydrophobicContact CE2-CG2 4.29Å; V495-F513 HydrophobicContact CB-CE2 4.3Å; V495-F513 HydrophobicContact CG1-CE2 4.07Å; V495-F513 HydrophobicContact CG1-CZ 4.05Å; V495-T514 CarbonylContact O-C 3.48Å; V495-T514 WeakPolarHBondContact O-CA 3.29Å; V495-R515 PolarHBondContact N-O 3.37Å; V495-R515 PolarHBondContact O-N 3.01Å; V495-F517 HydrophobicContact CG2-CD2 4.33Å; V495-F517 HydrophobicContact CG2-CE2 4.31Å
496	N	98.7	Very high	94.4	Very high	50 Å²	50	50 Å²	50	27%	0.267	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.5	173.6	-57.6	-83.9	0	0	0	108.7	F479 V480 F513 T514	F479-N496 WeakPolarHBondContact CA-O 3.47Å; V480-N496 HydrophobicContact CB-CB 4.29Å; V480-N496 PolarHBondContact N-O 3Å; V480-N496 PolarHBondContact O-N 3.22Å; N496-F513 WeakPolarHBondContact CA-O 3.47Å; N496-T514 WeakPolarHBondContact OD1-CB 3.44Å; N496-T514 VanDerWaalsContact OD1-CG2 3.28Å; N496-T514 WeakPolarHBondContact OD1-CG2 3Å; N496-T514 PolarHBondContact OD1-OG1 3.31Å
497	G	98.1	Very high	93.7	Very high	11 Å²	11	51.6 Å²	51.6	11%	0.113	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-167.7	-179.8	0	0	0	0	0	113.2	A512 F513	G497-A512 CarbonylContact O-C 3.45Å; G497-A512 WeakPolarHBondContact O-CA 3.29Å; G497-F513 VanDerWaalsContact C-CD1 3.41Å; G497-F513 VanDerWaalsContact C-CE1 3.4Å; G497-F513 PolarHBondContact N-O 3.45Å; G497-F513 VanDerWaalsContact O-CD1 3.26Å; G497-F513 WeakPolarHBondContact O-CD1 3.4Å; G497-F513 PolarHBondContact O-N 3.49Å
498	V	98	Very high	92.8	Very high	8 Å²	8	53.9 Å²	53.9	5%	0.048	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.8	178.3	-64.3	0	0	0	0	111.3	D475 L510 R511 A512 E543 A547	D475-V498 HydrophobicContact CB-CG2 3.93Å; D475-V498 PolarHBondContact N-O 3.27Å; D475-V498 VanDerWaalsContact N-O 3.17Å; V498-L510 HydrophobicContact CB-CD1 4.34Å; V498-L510 HydrophobicContact CB-CD2 4.47Å; V498-L510 HydrophobicContact CB-CG 4.47Å; V498-R511 CarbonylContact C-O 3.51Å; V498-R511 VanDerWaalsContact CA-O 3.25Å; V498-R511 WeakPolarHBondContact CA-O 3.17Å; V498-R511 WeakPolarHBondContact CB-O 3.25Å; V498-A512 HydrophobicContact CG1-CB 4.16Å; V498-E543 HydrophobicContact CG1-CB 4.2Å; V498-A547 HydrophobicContact CG2-CB 3.94Å
499	F	97.6	Very high	92.6	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.4	171.8	69.1	-100.5	0	0	0	111.2	T472 Q473 H474 E501 L510 R511 F513 V536	T472-F499 HydrophobicContact CG2-CD2 3.57Å; T472-F499 HydrophobicContact CG2-CE2 3.76Å; T472-F499 HydrophobicContact CG2-CG 4.28Å; Q473-F499 CarbonylContact O-C 3.3Å; Q473-F499 VanDerWaalsContact O-CA 3.25Å; Q473-F499 WeakPolarHBondContact O-CA 3.27Å; Q473-F499 WeakPolarHBondContact O-CB 3.43Å; H474-F499 HydrophobicContact CB-CB 4.45Å; H474-F499 VanDerWaalsContact CD2-CB 3.49Å; H474-F499 WeakPolarHBondContact CD2-CB 3.4Å; H474-F499 AromaticContact NE2-CD1 3.6Å; H474-F499 AromaticContact NE2-CG 3.74Å; F499-E501 HydrophobicContact CD2-CG 4.33Å; F499-E501 HydrophobicContact CE2-CG 3.9Å; F499-L510 WeakPolarHBondContact O-CD1 3.38Å; F499-R511 HydrophobicContact CD1-CB 4.16Å; F499-R511 HydrophobicContact CD2-CB 4Å; F499-R511 HydrophobicContact CD2-CG 4.11Å; F499-R511 HydrophobicContact CE1-CB 3.74Å; F499-R511 HydrophobicContact CE1-CG 4.45Å; F499-R511 HydrophobicContact CE2-CB 3.56Å; F499-R511 HydrophobicContact CE2-CG 3.44Å; F499-R511 VanDerWaalsContact CE2-CG 3.44Å; F499-R511 HydrophobicContact CG-CB 4.28Å; F499-R511 HydrophobicContact CZ-CB 3.42Å; F499-R511 VanDerWaalsContact CZ-CB 3.42Å; F499-R511 HydrophobicContact CZ-CG 3.64Å; F499-R511 PolarHBondContact N-O 2.83Å; F499-R511 PolarHBondContact O-N 3.12Å; F499-F513 HydrophobicContact CD1-CB 4.13Å; F499-F513 AromaticContact CD1-CD1 3.71Å; F499-F513 HydrophobicContact CD1-CD1 3.71Å; F499-F513 HydrophobicContact CD1-CG 4.18Å; F499-F513 HydrophobicContact CE1-CB 3.9Å; F499-F513 HydrophobicContact CE1-CD1 4.35Å; F499-F513 HydrophobicContact CE1-CG 4.4Å; F499-V536 HydrophobicContact CE1-CG1 4.27Å; F499-V536 HydrophobicContact CE1-CG2 4.39Å; F499-V536 HydrophobicContact CZ-CG1 3.92Å; F499-V536 HydrophobicContact CZ-CG2 4.39Å
500	K	95.7	Very high	92.5	Very high	66 Å²	66	47.1 Å²	47.1	29%	0.287	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.9	171	-171.3	-179.9	177.9	-178.6	0	109.1	T472 Q473 R507 D508 L510 F548	T472-K500 CarbonylContact C-O 3.54Å; T472-K500 WeakPolarHBondContact CA-O 3.13Å; Q473-K500 PolarHBondContact N-O 3Å; Q473-K500 PolarHBondContact O-N 2.95Å; K500-R507 VanDerWaalsContact CE-O 3.28Å; K500-R507 WeakPolarHBondContact CE-O 3.17Å; K500-D508 WeakPolarHBondContact CE-OD1 3.28Å; K500-D508 IonicContact NZ-OD1 2.73Å; K500-D508 PolarHBondContact NZ-OD1 3.24Å; K500-L510 HydrophobicContact CB-CD1 4.25Å; K500-F548 HydrophobicContact CB-CE2 4.07Å; K500-F548 HydrophobicContact CB-CZ 4.07Å
501	E	94.8	Very high	92.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.4	170	-69.7	164.1	-175.9	0	0	109.8	Y435 P470 K471 F499 S506 R507 R511	Y435-E501 WeakPolarHBondContact CE2-OE1 3.25Å; Y435-E501 VanDerWaalsContact CZ-OE1 3.28Å; Y435-E501 PolarHBondContact OH-OE1 3.18Å; P470-E501 HydrophobicContact CB-CG 4.32Å; K471-E501 CarbonylContact O-C 3.59Å; K471-E501 VanDerWaalsContact O-CA 3.32Å; K471-E501 WeakPolarHBondContact O-CA 3.45Å; F499-E501 HydrophobicContact CD2-CG 4.33Å; F499-E501 HydrophobicContact CE2-CG 3.9Å; E501-S506 WeakPolarHBondContact OE2-CB 3.38Å; E501-R507 CarbonylContact O-C 3.35Å; E501-R507 VanDerWaalsContact O-C 3.25Å; E501-R511 VanDerWaalsContact CD-CZ 3.48Å; E501-R511 VanDerWaalsContact CD-NH2 3.31Å; E501-R511 HydrophobicContact CG-CG 4.41Å; E501-R511 WeakPolarHBondContact OE1-CG 3.47Å; E501-R511 IonicContact OE1-CZ 2.82Å; E501-R511 IonicContact OE1-NE 3.89Å; E501-R511 PolarHBondContact OE1-NE 2.93Å; E501-R511 IonicContact OE1-NH1 2.86Å; E501-R511 IonicContact OE1-NH2 3.68Å; E501-R511 PolarHBondContact OE1-NH2 2.71Å; E501-R511 VanDerWaalsContact OE1-NH2 3.15Å; E501-R511 IonicContact OE2-CZ 2.77Å; E501-R511 VanDerWaalsContact OE2-CZ 3.28Å; E501-R511 IonicContact OE2-NE 3.56Å; E501-R511 PolarHBondContact OE2-NE 3.03Å; E501-R511 IonicContact OE2-NH2 3.26Å; E501-R511 PolarHBondContact OE2-NH2 3.12Å
502	V	92.3	Very high	92.5	Very high	63 Å²	63	43.6 Å²	43.6	38%	0.382	23%	0.233	S	C	.	.			trans	-113.3	-4.6	-176.6	-59.7	0	0	0	0	113.8	K471 Q473 R507	K471-V502 HydrophobicContact CB-CG2 3.37Å; K471-V502 PolarHBondContact O-N 3.26Å; Q473-V502 HydrophobicContact CB-CG1 4.2Å; V502-R507 WeakPolarHBondContact O-CD 3.31Å; V502-R507 WeakPolarHBondContact O-CG 3.45Å
503	D	89.3	Confident	92.5	Very high	56 Å²	56	42.8 Å²	42.8	30%	0.299	23%	0.227	S	C	.	.	S	Bend	trans	-135.1	176.1	178.3	66.4	-11.9	0	0	0	113	K471 R507	K471-D503 WeakPolarHBondContact CG-OD2 3.4Å; K471-D503 PolarHBondContact N-OD1 3.23Å; D503-R507 PolarHBondContact O-N 2.9Å
504	G	81.5	Confident	92.5	Very high	55 Å²	55	44.6 Å²	44.6	57%	0.567	24%	0.238	S	C	*	.	S	Bend	trans	74.3	-169.6	178.8	0	0	0	0	0	115.1	S506	G504-S506 PolarHBondContact O-N 3.17Å
505	K	79.4	Confident	92.5	Very high	209 Å²	209	43.7 Å²	43.7	91%	0.909	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.5	178.4	-69.8	178.5	-179.8	174.9	0	112.5
506	S	80.7	Confident	92.5	Very high	14 Å²	14	45.8 Å²	45.8	10%	0.098	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	10.4	-171.3	-49.8	0	0	0	0	113.2	E434 E501 G504 D508 S509 R511	E434-S506 WeakPolarHBondContact OE2-CB 3.09Å; E434-S506 PolarHBondContact OE2-OG 3.16Å; E501-S506 WeakPolarHBondContact OE2-CB 3.38Å; G504-S506 PolarHBondContact O-N 3.17Å; S506-D508 PolarHBondContact O-N 2.85Å; S506-S509 VanDerWaalsContact O-CB 3.23Å; S506-S509 WeakPolarHBondContact O-CB 3.34Å; S506-S509 PolarHBondContact O-N 3.08Å; S506-S509 PolarHBondContact O-OG 3.16Å; S506-R511 PolarHBondContact OG-NH2 3.39Å
507	R	80.9	Confident	92.5	Very high	154 Å²	154	43.4 Å²	43.4	58%	0.581	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-13.7	-174.6	168.8	177.2	151.7	-172.5	-5.7	117.4	K500 E501 V502 D503	K500-R507 VanDerWaalsContact CE-O 3.28Å; K500-R507 WeakPolarHBondContact CE-O 3.17Å; E501-R507 CarbonylContact O-C 3.35Å; E501-R507 VanDerWaalsContact O-C 3.25Å; V502-R507 WeakPolarHBondContact O-CD 3.31Å; V502-R507 WeakPolarHBondContact O-CG 3.45Å; D503-R507 PolarHBondContact O-N 2.9Å
508	D	79.7	Confident	92.5	Very high	119 Å²	119	45.2 Å²	45.2	64%	0.636	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	9	175.2	-68.1	-54.5	0	0	0	113.3	K500 S506	K500-D508 WeakPolarHBondContact CE-OD1 3.28Å; K500-D508 IonicContact NZ-OD1 2.73Å; K500-D508 PolarHBondContact NZ-OD1 3.24Å; S506-D508 PolarHBondContact O-N 2.85Å
509	S	90.7	Very high	92.5	Very high	37 Å²	37	44.9 Å²	44.9	26%	0.259	24%	0.236	S	C	.	.			trans	-82.1	123.3	176.3	-60.4	0	0	0	0	110.3	S506	S506-S509 VanDerWaalsContact O-CB 3.23Å; S506-S509 WeakPolarHBondContact O-CB 3.34Å; S506-S509 PolarHBondContact O-N 3.08Å; S506-S509 PolarHBondContact O-OG 3.16Å
510	L	94.5	Very high	92.6	Very high	28 Å²	28	46.6 Å²	46.6	15%	0.147	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.9	168.5	-169.5	75.5	0	0	0	110.1	V498 F499 K500 A539 I544 A547 F548	V498-L510 HydrophobicContact CB-CD1 4.34Å; V498-L510 HydrophobicContact CB-CD2 4.47Å; V498-L510 HydrophobicContact CB-CG 4.47Å; F499-L510 WeakPolarHBondContact O-CD1 3.38Å; K500-L510 HydrophobicContact CB-CD1 4.25Å; L510-A539 HydrophobicContact CB-CB 4.31Å; L510-A539 HydrophobicContact CD2-CB 3.75Å; L510-A539 HydrophobicContact CG-CB 3.94Å; L510-A539 PolarHBondContact O-N 3.41Å; L510-I544 HydrophobicContact CB-CG1 4.34Å; L510-I544 HydrophobicContact CD2-CB 4.13Å; L510-I544 HydrophobicContact CD2-CG1 3.67Å; L510-A547 HydrophobicContact CD1-CB 4.26Å; L510-A547 HydrophobicContact CD2-CB 3.48Å; L510-A547 VanDerWaalsContact CD2-CB 3.48Å; L510-F548 HydrophobicContact CD1-CE2 3.73Å
511	R	96.8	Very high	92.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150.5	175.4	-47.6	-52.6	177.6	110.2	-2	109.4	S431 V498 F499 E501 S506 V536 R537	S431-R511 VanDerWaalsContact O-CZ 3.29Å; S431-R511 PolarHBondContact O-NH1 2.65Å; S431-R511 PolarHBondContact O-NH2 3.08Å; V498-R511 CarbonylContact C-O 3.51Å; V498-R511 VanDerWaalsContact CA-O 3.25Å; V498-R511 WeakPolarHBondContact CA-O 3.17Å; V498-R511 WeakPolarHBondContact CB-O 3.25Å; F499-R511 HydrophobicContact CD1-CB 4.16Å; F499-R511 HydrophobicContact CD2-CB 4Å; F499-R511 HydrophobicContact CD2-CG 4.11Å; F499-R511 HydrophobicContact CE1-CB 3.74Å; F499-R511 HydrophobicContact CE1-CG 4.45Å; F499-R511 HydrophobicContact CE2-CB 3.56Å; F499-R511 HydrophobicContact CE2-CG 3.44Å; F499-R511 VanDerWaalsContact CE2-CG 3.44Å; F499-R511 HydrophobicContact CG-CB 4.28Å; F499-R511 HydrophobicContact CZ-CB 3.42Å; F499-R511 VanDerWaalsContact CZ-CB 3.42Å; F499-R511 HydrophobicContact CZ-CG 3.64Å; F499-R511 PolarHBondContact N-O 2.83Å; F499-R511 PolarHBondContact O-N 3.12Å; E501-R511 VanDerWaalsContact CD-CZ 3.48Å; E501-R511 VanDerWaalsContact CD-NH2 3.31Å; E501-R511 HydrophobicContact CG-CG 4.41Å; E501-R511 WeakPolarHBondContact OE1-CG 3.47Å; E501-R511 IonicContact OE1-CZ 2.82Å; E501-R511 IonicContact OE1-NE 3.89Å; E501-R511 PolarHBondContact OE1-NE 2.93Å; E501-R511 IonicContact OE1-NH1 2.86Å; E501-R511 IonicContact OE1-NH2 3.68Å; E501-R511 PolarHBondContact OE1-NH2 2.71Å; E501-R511 VanDerWaalsContact OE1-NH2 3.15Å; E501-R511 IonicContact OE2-CZ 2.77Å; E501-R511 VanDerWaalsContact OE2-CZ 3.28Å; E501-R511 IonicContact OE2-NE 3.56Å; E501-R511 PolarHBondContact OE2-NE 3.03Å; E501-R511 IonicContact OE2-NH2 3.26Å; E501-R511 PolarHBondContact OE2-NH2 3.12Å; S506-R511 PolarHBondContact OG-NH2 3.39Å; R511-V536 HydrophobicContact CB-CG1 4.18Å; R511-V536 HydrophobicContact CG-CG1 4.44Å; R511-R537 WeakPolarHBondContact CA-O 3.33Å
512	A	98.3	Very high	92.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148.8	164.3	0	0	0	0	0	108.6	G497 V498 R537 A539	G497-A512 CarbonylContact O-C 3.45Å; G497-A512 WeakPolarHBondContact O-CA 3.29Å; V498-A512 HydrophobicContact CG1-CB 4.16Å; A512-R537 HydrophobicContact CB-CG 4.06Å; A512-R537 VanDerWaalsContact CB-CZ 3.46Å; A512-R537 PolarHBondContact N-O 3.1Å; A512-R537 WeakPolarHBondContact O-CG 3.44Å; A512-R537 PolarHBondContact O-N 3.43Å; A512-R537 VanDerWaalsContact O-O 3.04Å; A512-A539 HydrophobicContact CB-CB 4.18Å
513	F	98.7	Very high	92.7	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.4	-177.3	79	-83.3	0	0	0	112.1	Y395 H474 F479 V495 N496 G497 F499 R515 L534 F535	Y395-F513 HydrophobicContact CE1-CZ 4.5Å; Y395-F513 WeakPolarHBondContact OH-CE2 3.5Å; Y395-F513 WeakPolarHBondContact OH-CZ 3.38Å; H474-F513 AromaticContact CD2-CE1 3.59Å; F479-F513 HydrophobicContact CD1-CE1 4.42Å; F479-F513 HydrophobicContact CD1-CZ 4.24Å; F479-F513 AromaticContact CE1-CE1 3.67Å; F479-F513 HydrophobicContact CE1-CE1 3.67Å; F479-F513 AromaticContact CE1-CZ 3.6Å; F479-F513 HydrophobicContact CE1-CZ 3.6Å; F479-F513 HydrophobicContact CE2-CZ 4.34Å; F479-F513 HydrophobicContact CZ-CE1 4.07Å; F479-F513 AromaticContact CZ-CZ 3.65Å; F479-F513 HydrophobicContact CZ-CZ 3.65Å; V495-F513 HydrophobicContact CB-CE2 4.3Å; V495-F513 HydrophobicContact CG1-CE2 4.07Å; V495-F513 HydrophobicContact CG1-CZ 4.05Å; N496-F513 WeakPolarHBondContact CA-O 3.47Å; G497-F513 VanDerWaalsContact C-CD1 3.41Å; G497-F513 VanDerWaalsContact C-CE1 3.4Å; G497-F513 PolarHBondContact N-O 3.45Å; G497-F513 VanDerWaalsContact O-CD1 3.26Å; G497-F513 WeakPolarHBondContact O-CD1 3.4Å; G497-F513 PolarHBondContact O-N 3.49Å; F499-F513 HydrophobicContact CD1-CB 4.13Å; F499-F513 AromaticContact CD1-CD1 3.71Å; F499-F513 HydrophobicContact CD1-CD1 3.71Å; F499-F513 HydrophobicContact CD1-CG 4.18Å; F499-F513 HydrophobicContact CE1-CB 3.9Å; F499-F513 HydrophobicContact CE1-CD1 4.35Å; F499-F513 HydrophobicContact CE1-CG 4.4Å; F513-R515 HydrophobicContact CD2-CB 3.78Å; F513-R515 HydrophobicContact CE2-CB 3.85Å; F513-L534 HydrophobicContact CB-CD1 4.1Å; F513-L534 HydrophobicContact CD2-CD1 4.22Å; F513-F535 CarbonylContact C-O 3.46Å; F513-F535 WeakPolarHBondContact CA-O 3.35Å; F513-F535 WeakPolarHBondContact CB-O 2.99Å
514	T	98.8	Very high	92.8	Very high	39 Å²	39	56.7 Å²	56.7	24%	0.239	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.9	164.6	-59.9	0	0	0	0	106.8	V495 N496 F535	V495-T514 CarbonylContact O-C 3.48Å; V495-T514 WeakPolarHBondContact O-CA 3.29Å; N496-T514 WeakPolarHBondContact OD1-CB 3.44Å; N496-T514 VanDerWaalsContact OD1-CG2 3.28Å; N496-T514 WeakPolarHBondContact OD1-CG2 3Å; N496-T514 PolarHBondContact OD1-OG1 3.31Å; T514-F535 PolarHBondContact N-O 2.99Å; T514-F535 WeakPolarHBondContact O-CB 3.48Å; T514-F535 PolarHBondContact O-N 3.14Å
515	R	98.8	Very high	93.2	Very high	1 Å²	1	59 Å²	59	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.1	-178.8	-162.5	168.8	-168.4	170	6.5	110.4	Y394 Y395 S494 V495 F513 F517 D532 E533 L534	Y394-R515 PolarHBondContact OH-NH1 2.86Å; Y394-R515 PolarHBondContact OH-NH2 3.26Å; Y395-R515 WeakPolarHBondContact OH-CD 3.49Å; S494-R515 CarbonylContact C-O 3.58Å; S494-R515 WeakPolarHBondContact CA-O 3.31Å; V495-R515 PolarHBondContact N-O 3.37Å; V495-R515 PolarHBondContact O-N 3.01Å; F513-R515 HydrophobicContact CD2-CB 3.78Å; F513-R515 HydrophobicContact CE2-CB 3.85Å; R515-F517 HydrophobicContact CB-CE2 4.27Å; R515-F517 HydrophobicContact CG-CD2 4.49Å; R515-F517 HydrophobicContact CG-CE1 4.22Å; R515-F517 HydrophobicContact CG-CE2 3.87Å; R515-F517 HydrophobicContact CG-CZ 3.74Å; R515-D532 WeakPolarHBondContact CG-OD1 3.36Å; R515-D532 IonicContact CZ-OD1 3.82Å; R515-D532 IonicContact CZ-OD2 3.15Å; R515-D532 IonicContact NE-OD1 3.24Å; R515-D532 PolarHBondContact NE-OD1 3.01Å; R515-D532 IonicContact NE-OD2 2.68Å; R515-D532 PolarHBondContact NE-OD2 3.21Å; R515-D532 IonicContact NH2-OD1 2.58Å; R515-D532 IonicContact NH2-OD2 3.59Å; R515-D532 PolarHBondContact NH2-OD2 3.05Å; R515-E533 CarbonylContact C-O 3.51Å; R515-E533 VanDerWaalsContact CA-O 3.28Å; R515-E533 WeakPolarHBondContact CA-O 3.4Å; R515-L534 HydrophobicContact CB-CD1 4.2Å; R515-L534 HydrophobicContact CG-CB 4.37Å; R515-L534 HydrophobicContact CG-CD1 4.2Å
516	T	98.8	Very high	93.9	Very high	44 Å²	44	50.3 Å²	50.3	27%	0.27	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.4	-179.1	-50.1	0	0	0	0	109.3	D532 E533	T516-D532 WeakPolarHBondContact O-CA 3.26Å; T516-E533 PolarHBondContact N-O 3.41Å; T516-E533 PolarHBondContact O-N 3.36Å
517	F	98.9	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.7	176.9	-64.6	-73.8	0	0	0	110.1	L391 Y394 C492 F493 V495 R515 I529 N531 D532	L391-F517 HydrophobicContact CD2-CE2 4.21Å; Y394-F517 HydrophobicContact CD1-CZ 4.48Å; Y394-F517 HydrophobicContact CE1-CZ 4.07Å; Y394-F517 HydrophobicContact CE2-CE1 4.23Å; Y394-F517 HydrophobicContact CE2-CZ 4.45Å; C492-F517 WeakPolarHBondContact CA-O 3.45Å; F493-F517 HydrophobicContact CD1-CB 4.34Å; F493-F517 HydrophobicContact CD2-CB 4.29Å; F493-F517 HydrophobicContact CD2-CD2 4.12Å; F493-F517 HydrophobicContact CE1-CB 3.85Å; F493-F517 HydrophobicContact CE2-CB 3.78Å; F493-F517 AromaticContact CE2-CD2 3.46Å; F493-F517 HydrophobicContact CE2-CD2 3.46Å; F493-F517 VanDerWaalsContact CE2-CD2 3.46Å; F493-F517 HydrophobicContact CE2-CE2 4.36Å; F493-F517 AromaticContact CE2-CG 3.97Å; F493-F517 HydrophobicContact CE2-CG 3.97Å; F493-F517 HydrophobicContact CZ-CB 3.54Å; F493-F517 AromaticContact CZ-CD2 3.96Å; F493-F517 HydrophobicContact CZ-CD2 3.96Å; F493-F517 HydrophobicContact CZ-CG 4.01Å; F493-F517 PolarHBondContact N-O 3.49Å; F493-F517 PolarHBondContact O-N 2.72Å; V495-F517 HydrophobicContact CG2-CD2 4.33Å; V495-F517 HydrophobicContact CG2-CE2 4.31Å; R515-F517 HydrophobicContact CB-CE2 4.27Å; R515-F517 HydrophobicContact CG-CD2 4.49Å; R515-F517 HydrophobicContact CG-CE1 4.22Å; R515-F517 HydrophobicContact CG-CE2 3.87Å; R515-F517 HydrophobicContact CG-CZ 3.74Å; F517-I529 HydrophobicContact CD1-CD1 4.04Å; F517-I529 HydrophobicContact CD1-CG1 4.34Å; F517-I529 HydrophobicContact CD1-CG2 4.11Å; F517-I529 HydrophobicContact CE1-CD1 4.02Å; F517-N531 WeakPolarHBondContact CA-O 3.22Å; F517-D532 HydrophobicContact CD1-CB 4.33Å; F517-D532 HydrophobicContact CE1-CB 4.42Å; F517-D532 WeakPolarHBondContact CE1-OD1 3.32Å
518	I	98.8	Very high	95.5	Very high	49 Å²	49	44.3 Å²	44.3	25%	0.251	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.4	160.8	-54.1	-179.8	0	0	0	106.5	L490 L491 C492 V530 N531	L490-I518 HydrophobicContact CB-CG2 4.29Å; L490-I518 HydrophobicContact CD1-CG2 4.32Å; L491-I518 WeakPolarHBondContact O-CA 3.49Å; C492-I518 HydrophobicContact CB-CG1 4.33Å; I518-V530 HydrophobicContact CB-CG2 3.97Å; I518-V530 HydrophobicContact CG2-CG2 3.65Å; I518-V530 VanDerWaalsContact O-CG2 3.26Å; I518-V530 WeakPolarHBondContact O-CG2 3.37Å; I518-V530 PolarHBondContact O-N 3.03Å; I518-N531 HydrophobicContact CB-CB 4.06Å; I518-N531 HydrophobicContact CD1-CB 4.1Å; I518-N531 HydrophobicContact CG1-CB 4.17Å; I518-N531 PolarHBondContact N-O 3.35Å; I518-N531 PolarHBondContact O-N 3.17Å
519	A	98.5	Very high	96.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.3	-179.3	0	0	0	0	0	111.4	L490 L491 F493 L527 C528	L490-A519 CarbonylContact C-O 3.52Å; L490-A519 VanDerWaalsContact CA-O 3.29Å; L490-A519 WeakPolarHBondContact CA-O 3.39Å; L491-A519 PolarHBondContact N-O 2.7Å; L491-A519 PolarHBondContact O-N 2.73Å; F493-A519 HydrophobicContact CE1-CB 4.47Å; A519-L527 HydrophobicContact CB-CB 3.93Å; A519-L527 HydrophobicContact CB-CD2 4.22Å; A519-L527 HydrophobicContact CB-CG 4.49Å; A519-C528 CarbonylContact C-O 3.57Å; A519-C528 WeakPolarHBondContact CA-O 3.4Å
520	V	98.1	Very high	96.8	Very high	43 Å²	43	38.2 Å²	38.2	26%	0.261	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	150.2	167.4	-60.8	0	0	0	0	108.9	T489 C528 V530	T489-V520 WeakPolarHBondContact O-CG1 3.36Å; V520-C528 HydrophobicContact CG2-CB 3.96Å; V520-C528 PolarHBondContact N-O 2.94Å; V520-C528 PolarHBondContact O-N 2.98Å; V520-V530 HydrophobicContact CG1-CG1 3.73Å; V520-V530 HydrophobicContact CG1-CG2 4.35Å; V520-V530 HydrophobicContact CG2-CG1 4.04Å
521	P	96.5	Very high	97	Very high	88 Å²	88	40.6 Å²	40.6	57%	0.571	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	139	178	25.8	-33.7	0	0	0	111.3	T489	T489-P521 WeakPolarHBondContact O-CD 3.26Å
522	A	95.3	Very high	97.1	Very high	47 Å²	47	40.8 Å²	40.8	39%	0.388	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	169	172.9	0	0	0	0	0	110.7	G526 C528	A522-G526 PolarHBondContact N-O 2.9Å; A522-G526 PolarHBondContact O-N 3.31Å; A522-C528 HydrophobicContact CB-CB 4.17Å
523	S	92.9	Very high	97.2	Very high	103 Å²	103	43.4 Å²	43.4	72%	0.72	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	154.5	176.5	-56.5	0	0	0	0	112.1	S525 G526	S523-S525 PolarHBondContact O-N 3.49Å; S523-G526 PolarHBondContact O-N 2.94Å; S523-G526 VanDerWaalsContact O-N 3.09Å
524	N	91.8	Very high	97.2	Very high	158 Å²	158	43.7 Å²	43.7	85%	0.845	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	43.3	175	-53.6	-30.2	0	0	0	114.2	G526	N524-G526 PolarHBondContact O-N 3.27Å
525	S	90.6	Very high	97.2	Very high	104 Å²	104	44.8 Å²	44.8	73%	0.727	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	29.6	-175.7	58	0	0	0	0	113.7	L386 S523	L386-S525 WeakPolarHBondContact CD1-O 3.47Å; S523-S525 PolarHBondContact O-N 3.49Å
526	G	94.1	Very high	97.1	Very high	26 Å²	26	44.7 Å²	44.7	27%	0.268	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	162.2	174.3	0	0	0	0	0	112.6	A522 S523 N524	A522-G526 PolarHBondContact N-O 2.9Å; A522-G526 PolarHBondContact O-N 3.31Å; S523-G526 PolarHBondContact O-N 2.94Å; S523-G526 VanDerWaalsContact O-N 3.09Å; N524-G526 PolarHBondContact O-N 3.27Å
527	L	97.3	Very high	97	Very high	21 Å²	21	46 Å²	46	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.3	170.4	-68.7	176	0	0	0	108.7	L386 F390 L491 F493 A519	L386-L527 HydrophobicContact CD1-CG 4.36Å; L386-L527 HydrophobicContact CD2-CD1 4.37Å; L386-L527 HydrophobicContact CD2-CD2 4.25Å; L386-L527 HydrophobicContact CD2-CG 4.39Å; L386-L527 HydrophobicContact CG-CD1 4.13Å; L386-L527 HydrophobicContact CG-CG 4.37Å; F390-L527 HydrophobicContact CB-CD1 4.25Å; F390-L527 HydrophobicContact CD2-CB 3.89Å; F390-L527 HydrophobicContact CD2-CD1 4.38Å; F390-L527 HydrophobicContact CE2-CB 4.12Å; F390-L527 HydrophobicContact CG-CD1 4.18Å; L491-L527 HydrophobicContact CD2-CD1 4Å; L491-L527 HydrophobicContact CD2-CD2 4.17Å; F493-L527 HydrophobicContact CE1-CD1 4.3Å; A519-L527 HydrophobicContact CB-CB 3.93Å; A519-L527 HydrophobicContact CB-CD2 4.22Å; A519-L527 HydrophobicContact CB-CG 4.49Å
528	C	98.3	Very high	96.9	Very high	22 Å²	22	49.3 Å²	49.3	15%	0.149	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.6	177.3	-172.5	0	0	0	0	109.8	A409 H411 A519 V520 A522 V530	A409-C528 CarbonylContact O-C 3.56Å; A409-C528 WeakPolarHBondContact O-CA 3.35Å; H411-C528 WeakPolarHBondContact CA-SG 3.38Å; H411-C528 PolarHBondContact N-SG 3.29Å; A519-C528 CarbonylContact C-O 3.57Å; A519-C528 WeakPolarHBondContact CA-O 3.4Å; V520-C528 HydrophobicContact CG2-CB 3.96Å; V520-C528 PolarHBondContact N-O 2.94Å; V520-C528 PolarHBondContact O-N 2.98Å; A522-C528 HydrophobicContact CB-CB 4.17Å; C528-V530 PolarHBondContact O-N 3.39Å
529	I	98.8	Very high	96.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.6	-172.2	-52.7	165.3	0	0	0	110.1	F390 Y394 A409 Y410 H411 A414 F517 N531 D532	F390-I529 HydrophobicContact CE2-CD1 4.45Å; F390-I529 HydrophobicContact CE2-CG1 4.29Å; F390-I529 HydrophobicContact CZ-CD1 3.81Å; F390-I529 HydrophobicContact CZ-CG1 3.83Å; Y394-I529 HydrophobicContact CD2-CD1 3.98Å; Y394-I529 HydrophobicContact CE2-CD1 3.52Å; A409-I529 HydrophobicContact CB-CD1 4.4Å; A409-I529 PolarHBondContact O-N 3.02Å; Y410-I529 HydrophobicContact CD1-CB 3.7Å; Y410-I529 HydrophobicContact CD1-CD1 4.12Å; Y410-I529 HydrophobicContact CD1-CG2 3.88Å; Y410-I529 HydrophobicContact CE1-CB 3.85Å; Y410-I529 HydrophobicContact CE1-CD1 3.73Å; Y410-I529 HydrophobicContact CE1-CG1 4.44Å; Y410-I529 HydrophobicContact CE1-CG2 3.63Å; Y410-I529 HydrophobicContact CE2-CD1 4.25Å; Y410-I529 HydrophobicContact CG-CB 4.49Å; H411-I529 WeakPolarHBondContact CB-O 3.31Å; H411-I529 PolarHBondContact N-O 2.68Å; A414-I529 WeakPolarHBondContact CB-O 3.39Å; F517-I529 HydrophobicContact CD1-CD1 4.04Å; F517-I529 HydrophobicContact CD1-CG1 4.34Å; F517-I529 HydrophobicContact CD1-CG2 4.11Å; F517-I529 HydrophobicContact CE1-CD1 4.02Å; I529-N531 WeakPolarHBondContact CG2-O 3.36Å; I529-D532 HydrophobicContact CG2-CB 4.16Å
530	V	98.7	Very high	96.6	Very high	28 Å²	28	49.9 Å²	49.9	17%	0.17	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-35.6	172	-65.7	0	0	0	0	112.4	H411 A414 C415 I518 V520 C528	H411-V530 HydrophobicContact CB-CG1 3.95Å; A414-V530 CarbonylContact C-O 3.53Å; A414-V530 VanDerWaalsContact CA-O 3.3Å; A414-V530 WeakPolarHBondContact CA-O 3.46Å; C415-V530 PolarHBondContact N-O 3Å; I518-V530 HydrophobicContact CB-CG2 3.97Å; I518-V530 HydrophobicContact CG2-CG2 3.65Å; I518-V530 VanDerWaalsContact O-CG2 3.26Å; I518-V530 WeakPolarHBondContact O-CG2 3.37Å; I518-V530 PolarHBondContact O-N 3.03Å; V520-V530 HydrophobicContact CG1-CG1 3.73Å; V520-V530 HydrophobicContact CG1-CG2 4.35Å; V520-V530 HydrophobicContact CG2-CG1 4.04Å; C528-V530 PolarHBondContact O-N 3.39Å
531	N	98.8	Very high	96.4	Very high	78 Å²	78	53 Å²	53	42%	0.417	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.7	173.9	-67.9	45.4	0	0	0	110.9	C415 F517 I518 I529	C415-N531 CarbonylContact O-C 3.51Å; C415-N531 WeakPolarHBondContact O-CA 3.37Å; F517-N531 WeakPolarHBondContact CA-O 3.22Å; I518-N531 HydrophobicContact CB-CB 4.06Å; I518-N531 HydrophobicContact CD1-CB 4.1Å; I518-N531 HydrophobicContact CG1-CB 4.17Å; I518-N531 PolarHBondContact N-O 3.35Å; I518-N531 PolarHBondContact O-N 3.17Å; I529-N531 WeakPolarHBondContact CG2-O 3.36Å
532	D	98.8	Very high	96.2	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	117.9	176.8	173.3	33.1	0	0	0	109.8	Y410 C415 C416 S417 R515 T516 F517 I529	Y410-D532 HydrophobicContact CE1-CB 4.02Å; Y410-D532 PolarHBondContact OH-OD2 3.27Å; C415-D532 PolarHBondContact O-N 3.45Å; C416-D532 CarbonylContact C-O 3.59Å; C416-D532 VanDerWaalsContact CA-O 3.24Å; C416-D532 WeakPolarHBondContact CA-O 3.49Å; C416-D532 HydrophobicContact CB-CB 4.36Å; C416-D532 PolarHBondContact SG-OD2 3.1Å; S417-D532 PolarHBondContact N-O 3.15Å; R515-D532 WeakPolarHBondContact CG-OD1 3.36Å; R515-D532 IonicContact CZ-OD1 3.82Å; R515-D532 IonicContact CZ-OD2 3.15Å; R515-D532 IonicContact NE-OD1 3.24Å; R515-D532 PolarHBondContact NE-OD1 3.01Å; R515-D532 IonicContact NE-OD2 2.68Å; R515-D532 PolarHBondContact NE-OD2 3.21Å; R515-D532 IonicContact NH2-OD1 2.58Å; R515-D532 IonicContact NH2-OD2 3.59Å; R515-D532 PolarHBondContact NH2-OD2 3.05Å; T516-D532 WeakPolarHBondContact O-CA 3.26Å; F517-D532 HydrophobicContact CD1-CB 4.33Å; F517-D532 HydrophobicContact CE1-CB 4.42Å; F517-D532 WeakPolarHBondContact CE1-OD1 3.32Å; I529-D532 HydrophobicContact CG2-CB 4.16Å
533	E	98.8	Very high	96.1	Very high	55 Å²	55	54.1 Å²	54.1	26%	0.257	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.5	172.9	174.1	61.4	-164.8	0	0	109.6	S417 S419 R515 T516	S417-E533 VanDerWaalsContact C-OE2 3.26Å; S417-E533 VanDerWaalsContact CB-OE2 3.23Å; S417-E533 WeakPolarHBondContact CB-OE2 3.44Å; S417-E533 PolarHBondContact OG-OE2 2.89Å; S419-E533 VanDerWaalsContact CB-OE1 3.28Å; S419-E533 WeakPolarHBondContact CB-OE1 3.4Å; S419-E533 PolarHBondContact OG-OE1 2.95Å; R515-E533 CarbonylContact C-O 3.51Å; R515-E533 VanDerWaalsContact CA-O 3.28Å; R515-E533 WeakPolarHBondContact CA-O 3.4Å; T516-E533 PolarHBondContact N-O 3.41Å; T516-E533 PolarHBondContact O-N 3.36Å
534	L	98.8	Very high	96.1	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.047	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117	178.2	174.8	59.3	0	0	0	110.4	S417 L418 S419 L469 F513 R515 V536	S417-L534 PolarHBondContact O-N 2.88Å; L418-L534 CarbonylContact C-O 3.56Å; L418-L534 VanDerWaalsContact CA-O 3.3Å; L418-L534 WeakPolarHBondContact CA-O 3.48Å; L418-L534 HydrophobicContact CD1-CB 4.26Å; L418-L534 HydrophobicContact CD1-CD2 3.94Å; L418-L534 HydrophobicContact CD1-CG 3.88Å; L418-L534 WeakPolarHBondContact CD1-O 3.43Å; S419-L534 PolarHBondContact N-O 3.45Å; L469-L534 HydrophobicContact CD1-CD2 4.34Å; F513-L534 HydrophobicContact CB-CD1 4.1Å; F513-L534 HydrophobicContact CD2-CD1 4.22Å; R515-L534 HydrophobicContact CB-CD1 4.2Å; R515-L534 HydrophobicContact CG-CB 4.37Å; R515-L534 HydrophobicContact CG-CD1 4.2Å; L534-V536 HydrophobicContact CD1-CG2 3.96Å; L534-V536 HydrophobicContact CD2-CG2 4.02Å; L534-V536 HydrophobicContact CG-CG2 3.75Å
535	F	98.7	Very high	96	Very high	61 Å²	61	53.8 Å²	53.8	27%	0.268	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.3	168.8	177.2	-108.3	0	0	0	110.3	S419 P421 F513 T514 R537	S419-F535 WeakPolarHBondContact O-CA 3.41Å; S419-F535 WeakPolarHBondContact OG-CD2 3.45Å; P421-F535 HydrophobicContact CB-CZ 4.29Å; P421-F535 HydrophobicContact CG-CZ 4.4Å; F513-F535 CarbonylContact C-O 3.46Å; F513-F535 WeakPolarHBondContact CA-O 3.35Å; F513-F535 WeakPolarHBondContact CB-O 2.99Å; T514-F535 PolarHBondContact N-O 2.99Å; T514-F535 WeakPolarHBondContact O-CB 3.48Å; T514-F535 PolarHBondContact O-N 3.14Å; F535-R537 HydrophobicContact CE1-CB 4.35Å; F535-R537 HydrophobicContact CE1-CG 4.26Å
536	V	98.3	Very high	95.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.6	-179.6	-177	0	0	0	0	111	L418 S419 I420 P421 L432 Y435 F499 R511 L534	L418-V536 HydrophobicContact CD1-CG2 3.78Å; S419-V536 PolarHBondContact O-N 2.89Å; I420-V536 WeakPolarHBondContact CA-O 3.35Å; I420-V536 HydrophobicContact CG2-CB 4.29Å; I420-V536 WeakPolarHBondContact CG2-O 3.35Å; P421-V536 WeakPolarHBondContact CD-O 3.44Å; L432-V536 HydrophobicContact CD2-CG1 4.48Å; Y435-V536 HydrophobicContact CD1-CG2 4.41Å; Y435-V536 HydrophobicContact CD2-CG1 4.35Å; Y435-V536 HydrophobicContact CE1-CG2 4.41Å; Y435-V536 HydrophobicContact CE2-CG1 4.26Å; F499-V536 HydrophobicContact CE1-CG1 4.27Å; F499-V536 HydrophobicContact CE1-CG2 4.39Å; F499-V536 HydrophobicContact CZ-CG1 3.92Å; F499-V536 HydrophobicContact CZ-CG2 4.39Å; R511-V536 HydrophobicContact CB-CG1 4.18Å; R511-V536 HydrophobicContact CG-CG1 4.44Å; L534-V536 HydrophobicContact CD1-CG2 3.96Å; L534-V536 HydrophobicContact CD2-CG2 4.02Å; L534-V536 HydrophobicContact CG-CG2 3.75Å
537	R	96.9	Very high	95.5	Very high	70 Å²	70	54.7 Å²	54.7	26%	0.264	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	170.3	172.4	61.3	171.4	178.2	83.6	-1	111.1	P421 R511 A512 F535 E543	P421-R537 HydrophobicContact CG-CB 3.99Å; R511-R537 WeakPolarHBondContact CA-O 3.33Å; A512-R537 HydrophobicContact CB-CG 4.06Å; A512-R537 VanDerWaalsContact CB-CZ 3.46Å; A512-R537 PolarHBondContact N-O 3.1Å; A512-R537 WeakPolarHBondContact O-CG 3.44Å; A512-R537 PolarHBondContact O-N 3.43Å; A512-R537 VanDerWaalsContact O-O 3.04Å; F535-R537 HydrophobicContact CE1-CB 4.35Å; F535-R537 HydrophobicContact CE1-CG 4.26Å; R537-E543 IonicContact CZ-OE1 3.66Å; R537-E543 IonicContact CZ-OE2 2.93Å; R537-E543 IonicContact NH1-OE1 3.89Å; R537-E543 IonicContact NH1-OE2 2.96Å; R537-E543 PolarHBondContact NH1-OE2 3.05Å; R537-E543 IonicContact NH2-OE1 3.44Å; R537-E543 PolarHBondContact NH2-OE1 3.43Å; R537-E543 IonicContact NH2-OE2 3.97Å; R537-E543 PolarHBondContact NH2-OE2 2.87Å
538	N	95.2	Very high	94.8	Very high	71 Å²	71	57.5 Å²	57.5	38%	0.38	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	141.9	165.6	-66	-23	0	0	0	109.2	S431 L432	S431-N538 VanDerWaalsContact OG-CG 3.22Å; S431-N538 PolarHBondContact OG-ND2 3.48Å; S431-N538 PolarHBondContact OG-OD1 2.95Å; L432-N538 WeakPolarHBondContact CD2-OD1 3.29Å
539	A	96.4	Very high	93.4	Very high	13 Å²	13	59.5 Å²	59.5	11%	0.107	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-65.5	147.1	171.3	0	0	0	0	0	110.7	L510 A512 E543 I544	L510-A539 HydrophobicContact CB-CB 4.31Å; L510-A539 HydrophobicContact CD2-CB 3.75Å; L510-A539 HydrophobicContact CG-CB 3.94Å; L510-A539 PolarHBondContact O-N 3.41Å; A512-A539 HydrophobicContact CB-CB 4.18Å; A539-E543 WeakPolarHBondContact CA-OE2 3.5Å; A539-E543 HydrophobicContact CB-CB 4.17Å; A539-I544 HydrophobicContact CB-CD1 4.42Å; A539-I544 HydrophobicContact CB-CG1 3.81Å
540	S	95.1	Very high	91.2	Very high	48 Å²	48	67.4 Å²	67.4	34%	0.336	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-72.5	162.8	172.5	78.1	0	0	0	0	110.6	E542 E543 I544	S540-E542 PolarHBondContact O-N 3.25Å; S540-E543 PolarHBondContact N-OE2 2.86Å; S540-E543 PolarHBondContact O-N 3.22Å; S540-E543 VanDerWaalsContact OG-CG 3.29Å; S540-E543 WeakPolarHBondContact OG-CG 3.44Å; S540-E543 PolarHBondContact OG-N 2.67Å; S540-E543 VanDerWaalsContact OG-N 3.12Å; S540-E543 PolarHBondContact OG-OE2 3.1Å; S540-I544 VanDerWaalsContact O-CG1 3.27Å; S540-I544 WeakPolarHBondContact O-CG1 3.3Å; S540-I544 PolarHBondContact O-N 3.15Å
541	S	93.2	Very high	88.7	Confident	107 Å²	107	71.9 Å²	71.9	75%	0.748	38%	0.378	S	S	*	.	H	α-helix	trans	-57.4	-37.1	176.6	-58	0	0	0	0	112.6	Q545	S541-Q545 PolarHBondContact O-N 3.06Å; S541-Q545 VanDerWaalsContact O-N 3.15Å
542	E	92.4	Very high	85.6	Confident	115 Å²	115	71.9 Å²	71.9	54%	0.537	39%	0.389	S	S	.	.	H	α-helix	trans	-71.5	-40.1	178.3	-163.2	-163.8	142.2	0	0	112.1	S540 I544 Q545 R546	S540-E542 PolarHBondContact O-N 3.25Å; E542-I544 VanDerWaalsContact C-N 3.34Å; E542-Q545 PolarHBondContact O-N 3.49Å; E542-R546 PolarHBondContact O-N 2.9Å; E542-R546 VanDerWaalsContact O-N 3.14Å; E542-R546 IonicContact OE1-CZ 3.45Å; E542-R546 IonicContact OE1-NE 2.77Å; E542-R546 PolarHBondContact OE1-NE 2.89Å; E542-R546 IonicContact OE1-NH2 3.59Å; E542-R546 PolarHBondContact OE1-NH2 3.14Å
543	E	94.6	Very high	82.4	Confident	44 Å²	44	77.7 Å²	77.7	21%	0.206	43%	0.427	C	S	.	.	H	α-helix	trans	-64	-40.4	174.6	-72.9	169.8	154.6	0	0	111.4	V498 R537 A539 S540 Q545 R546 A547	V498-E543 HydrophobicContact CG1-CB 4.2Å; R537-E543 IonicContact CZ-OE1 3.66Å; R537-E543 IonicContact CZ-OE2 2.93Å; R537-E543 IonicContact NH1-OE1 3.89Å; R537-E543 IonicContact NH1-OE2 2.96Å; R537-E543 PolarHBondContact NH1-OE2 3.05Å; R537-E543 IonicContact NH2-OE1 3.44Å; R537-E543 PolarHBondContact NH2-OE1 3.43Å; R537-E543 IonicContact NH2-OE2 3.97Å; R537-E543 PolarHBondContact NH2-OE2 2.87Å; A539-E543 WeakPolarHBondContact CA-OE2 3.5Å; A539-E543 HydrophobicContact CB-CB 4.17Å; S540-E543 PolarHBondContact N-OE2 2.86Å; S540-E543 PolarHBondContact O-N 3.22Å; S540-E543 VanDerWaalsContact OG-CG 3.29Å; S540-E543 WeakPolarHBondContact OG-CG 3.44Å; S540-E543 PolarHBondContact OG-N 2.67Å; S540-E543 VanDerWaalsContact OG-N 3.12Å; S540-E543 PolarHBondContact OG-OE2 3.1Å; E543-Q545 VanDerWaalsContact C-N 3.32Å; E543-Q545 PolarHBondContact O-N 3.01Å; E543-R546 PolarHBondContact O-N 2.87Å; E543-A547 VanDerWaalsContact O-CB 3.26Å; E543-A547 WeakPolarHBondContact O-CB 3.25Å; E543-A547 PolarHBondContact O-N 2.76Å
544	I	91.5	Very high	79.2	Confident	91 Å²	91	81 Å²	81	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-61	-42.2	175.4	-67.2	162.2	0	0	0	111	L510 A539 S540 E542 R546 A547	L510-I544 HydrophobicContact CB-CG1 4.34Å; L510-I544 HydrophobicContact CD2-CB 4.13Å; L510-I544 HydrophobicContact CD2-CG1 3.67Å; A539-I544 HydrophobicContact CB-CD1 4.42Å; A539-I544 HydrophobicContact CB-CG1 3.81Å; S540-I544 VanDerWaalsContact O-CG1 3.27Å; S540-I544 WeakPolarHBondContact O-CG1 3.3Å; S540-I544 PolarHBondContact O-N 3.15Å; E542-I544 VanDerWaalsContact C-N 3.34Å; I544-R546 VanDerWaalsContact C-N 3.31Å; I544-R546 PolarHBondContact O-N 3.22Å; I544-A547 PolarHBondContact O-N 3.04Å
545	Q	90.1	Very high	76	Confident	163 Å²	163	86.9 Å²	86.9	76%	0.762	49%	0.49	S	S	*	.	H	α-helix	trans	-65.8	-33.9	179.9	-173.6	178.7	3.3	0	0	112.6	S541 E542 E543	S541-Q545 PolarHBondContact O-N 3.06Å; S541-Q545 VanDerWaalsContact O-N 3.15Å; E542-Q545 PolarHBondContact O-N 3.49Å; E543-Q545 VanDerWaalsContact C-N 3.32Å; E543-Q545 PolarHBondContact O-N 3.01Å
546	R	89.3	Confident	72.8	Confident	132 Å²	132	89.4 Å²	89.4	50%	0.498	52%	0.515	S	S	.	.	H	α-helix	trans	-91.2	-14.4	-179.7	-66.8	-168.6	-82.3	117.3	-9.8	113.8	E542 E543 I544 A549	E542-R546 PolarHBondContact O-N 2.9Å; E542-R546 VanDerWaalsContact O-N 3.14Å; E542-R546 IonicContact OE1-CZ 3.45Å; E542-R546 IonicContact OE1-NE 2.77Å; E542-R546 PolarHBondContact OE1-NE 2.89Å; E542-R546 IonicContact OE1-NH2 3.59Å; E542-R546 PolarHBondContact OE1-NH2 3.14Å; E543-R546 PolarHBondContact O-N 2.87Å; I544-R546 VanDerWaalsContact C-N 3.31Å; I544-R546 PolarHBondContact O-N 3.22Å; R546-A549 VanDerWaalsContact O-CB 3.3Å; R546-A549 WeakPolarHBondContact O-CB 3.08Å; R546-A549 PolarHBondContact O-N 3.36Å
547	A	84.5	Confident	69.8	Low	17 Å²	17	94.7 Å²	94.7	14%	0.14	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	133.6	-177.1	0	0	0	0	0	111.6	V498 L510 E543 I544 A549	V498-A547 HydrophobicContact CG2-CB 3.94Å; L510-A547 HydrophobicContact CD1-CB 4.26Å; L510-A547 HydrophobicContact CD2-CB 3.48Å; L510-A547 VanDerWaalsContact CD2-CB 3.48Å; E543-A547 VanDerWaalsContact O-CB 3.26Å; E543-A547 WeakPolarHBondContact O-CB 3.25Å; E543-A547 PolarHBondContact O-N 2.76Å; I544-A547 PolarHBondContact O-N 3.04Å; A547-A549 PolarHBondContact O-N 2.89Å
548	F	83.7	Confident	66.7	Low	80 Å²	80	96.8 Å²	96.8	35%	0.351	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	55.4	14.8	-178.3	-51.6	-79.7	0	0	0	113.9	Q473 D475 K500 L510 M550	Q473-F548 HydrophobicContact CG-CE1 4.29Å; D475-F548 HydrophobicContact CB-CD1 4.03Å; D475-F548 HydrophobicContact CB-CE1 3.86Å; D475-F548 HydrophobicContact CB-CZ 4.31Å; D475-F548 WeakPolarHBondContact OD2-CA 3.34Å; D475-F548 PolarHBondContact OD2-N 2.87Å; K500-F548 HydrophobicContact CB-CE2 4.07Å; K500-F548 HydrophobicContact CB-CZ 4.07Å; L510-F548 HydrophobicContact CD1-CE2 3.73Å; F548-M550 PolarHBondContact O-N 2.95Å
549	A	68.7	Low	64	Low	64 Å²	64	99.2 Å²	99.2	53%	0.529	60%	0.597	S	S	.	*			trans	-68.3	103.4	168.4	0	0	0	0	0	106.5	R546 A547	R546-A549 VanDerWaalsContact O-CB 3.3Å; R546-A549 WeakPolarHBondContact O-CB 3.08Å; R546-A549 PolarHBondContact O-N 3.36Å; A547-A549 PolarHBondContact O-N 2.89Å
550	M	52.6	Low	61.2	Low	167 Å²	167	105.3 Å²	105.3	82%	0.823	63%	0.633	S	S	*	*			trans	-51.1	137.4	161.3	-67.7	178.9	65.5	0	0	106.8	F548 A552	F548-M550 PolarHBondContact O-N 2.95Å; M550-A552 PolarHBondContact O-N 2.81Å
551	P	46	Very low	59	Low	122 Å²	122	107.5 Å²	107.5	79%	0.792	65%	0.645	S	S	*	*			trans	-49.8	113.6	171.6	-20.5	29.8	0	0	0	107.1
552	A	34.2	Very low	57.2	Low	78 Å²	78	109.4 Å²	109.4	65%	0.645	65%	0.653	S	S	*	*			trans	-54.7	133.6	170	0	0	0	0	0	105.8	M550 T554	M550-A552 PolarHBondContact O-N 2.81Å; A552-T554 PolarHBondContact O-N 2.92Å
553	P	30.5	Very low	56.4	Low	124 Å²	124	106.1 Å²	106.1	81%	0.805	64%	0.639	S	S	*	*			trans	-56.7	111.5	175	23.5	-30.3	0	0	0	106.5	P555	P553-P555 WeakPolarHBondContact O-CD 3.47Å
554	T	33.1	Very low	55.7	Low	125 Å²	125	106.3 Å²	106.3	77%	0.767	65%	0.645	S	S	*	*			trans	-55.9	123.4	174.2	37.5	0	0	0	0	107.9	A552 S556	A552-T554 PolarHBondContact O-N 2.92Å; T554-S556 PolarHBondContact O-N 3.15Å
555	P	30.1	Very low	55.1	Low	133 Å²	133	107.4 Å²	107.4	86%	0.864	66%	0.658	S	S	*	*			trans	-72.5	113.5	170.6	29.2	-28.5	0	0	0	107.5	P553	P553-P555 WeakPolarHBondContact O-CD 3.47Å
556	S	32.6	Very low	54.1	Low	114 Å²	114	107.2 Å²	107.2	80%	0.797	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-97.1	143.2	178.4	-171.6	0	0	0	0	112.2	T554	T554-S556 PolarHBondContact O-N 3.15Å
557	S	35.1	Very low	53.9	Low	110 Å²	110	103.1 Å²	103.1	77%	0.769	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-92.5	155.6	-175	44.7	0	0	0	0	114.8
558	S	31.2	Very low	53.7	Low	115 Å²	115	107.1 Å²	107.1	80%	0.804	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-72.5	153.6	168.7	-43.9	0	0	0	0	113.3
559	P	39.7	Very low	53.5	Low	122 Å²	122	110.5 Å²	110.5	79%	0.792	68%	0.676	S	S	*	*				-135.1	166.5	67.6	30.2	-9.2	0	0	0	116.2	P561	P559-P561 WeakPolarHBondContact O-CD 3.34Å
560	V	36.3	Very low	53.5	Low	141 Å²	141	109.9 Å²	109.9	86%	0.855	66%	0.663	S	S	*	*			trans	-82.2	123.7	-164.3	-174	0	0	0	0	115.8
561	P	49.3	Very low	55.4	Low	93 Å²	93	102.4 Å²	102.4	60%	0.604	63%	0.627	S	S	*	*			trans	-112.6	151.5	171.5	12.9	9.8	0	0	0	114.9	P559	P559-P561 WeakPolarHBondContact O-CD 3.34Å
562	T	55.7	Low	57.1	Low	148 Å²	148	103.3 Å²	103.3	91%	0.908	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-72.3	142.1	178.2	-30.8	0	0	0	0	113
563	L	75.3	Confident	59.4	Low	45 Å²	45	101.6 Å²	101.6	24%	0.236	61%	0.606	C	S	.	*	P	Polyproline II helix	trans	-86.3	150.2	-172.3	-51.5	-178.6	0	0	0	114.9	Q567 L571 W594	L563-Q567 HydrophobicContact CB-CB 4.4Å; L563-L571 HydrophobicContact CD1-CD2 4.43Å; L563-W594 HydrophobicContact CB-CH2 4.4Å; L563-W594 HydrophobicContact CD1-CH2 3.27Å; L563-W594 HydrophobicContact CD1-CZ2 4Å; L563-W594 HydrophobicContact CD1-CZ3 4.08Å; L563-W594 HydrophobicContact CD2-CH2 3.24Å; L563-W594 HydrophobicContact CD2-CZ2 2.97Å; L563-W594 HydrophobicContact CD2-CZ3 4.35Å; L563-W594 HydrophobicContact CG-CH2 3.73Å; L563-W594 HydrophobicContact CG-CZ2 4Å
564	S	80.3	Confident	61.9	Low	49 Å²	49	95.7 Å²	95.7	34%	0.343	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-89.6	165.2	175.2	65.2	0	0	0	0	114.3	E566 Q567 Q568	S564-E566 PolarHBondContact O-N 3.08Å; S564-Q567 VanDerWaalsContact O-CB 3.29Å; S564-Q567 WeakPolarHBondContact O-CB 3.42Å; S564-Q567 PolarHBondContact O-N 2.82Å; S564-Q567 VanDerWaalsContact O-N 3.13Å; S564-Q567 WeakPolarHBondContact OG-CG 3.37Å; S564-Q567 PolarHBondContact OG-OE1 3.47Å; S564-Q568 PolarHBondContact O-N 3.4Å; S564-Q568 VanDerWaalsContact O-N 3.13Å
565	P	79.2	Confident	64.5	Low	114 Å²	114	90.9 Å²	90.9	74%	0.74	54%	0.539	S	S	*	.	H	α-helix	trans	-58	-42.1	179.5	-26.6	35.3	0	0	0	116	Q567 Q568 E569	P565-Q567 PolarHBondContact O-N 2.91Å; P565-Q568 PolarHBondContact O-N 3.31Å; P565-E569 PolarHBondContact O-N 2.81Å
566	E	68.5	Low	67.1	Low	158 Å²	158	90.1 Å²	90.1	74%	0.738	53%	0.532	S	S	*	.	H	α-helix	trans	-67.5	-22.9	176.1	-84.9	178.1	166	0	0	112.4	S564 M570	S564-E566 PolarHBondContact O-N 3.08Å; E566-M570 PolarHBondContact O-N 2.83Å
567	Q	85	Confident	68.8	Low	46 Å²	46	91 Å²	91	22%	0.215	52%	0.523	C	S	.	.	H	α-helix	trans	-77.4	-38.5	175.6	-74	179.2	-31	0	0	111.7	L563 S564 P565 E569 L571 W594	L563-Q567 HydrophobicContact CB-CB 4.4Å; S564-Q567 VanDerWaalsContact O-CB 3.29Å; S564-Q567 WeakPolarHBondContact O-CB 3.42Å; S564-Q567 PolarHBondContact O-N 2.82Å; S564-Q567 VanDerWaalsContact O-N 3.13Å; S564-Q567 WeakPolarHBondContact OG-CG 3.37Å; S564-Q567 PolarHBondContact OG-OE1 3.47Å; P565-Q567 PolarHBondContact O-N 2.91Å; Q567-E569 PolarHBondContact O-N 3.41Å; Q567-L571 WeakPolarHBondContact O-CB 3.44Å; Q567-L571 PolarHBondContact O-N 3.06Å; Q567-L571 VanDerWaalsContact O-N 3.15Å; Q567-W594 VanDerWaalsContact CA-CE3 3.42Å; Q567-W594 HydrophobicContact CB-CD2 3.59Å; Q567-W594 HydrophobicContact CB-CE3 3.13Å; Q567-W594 HydrophobicContact CB-CG 4.37Å; Q567-W594 HydrophobicContact CB-CH2 4.09Å; Q567-W594 HydrophobicContact CB-CZ2 4.46Å; Q567-W594 HydrophobicContact CB-CZ3 3.39Å; Q567-W594 VanDerWaalsContact CD-CD2 3.45Å; Q567-W594 HydrophobicContact CG-CB 3.95Å; Q567-W594 HydrophobicContact CG-CD2 3.25Å; Q567-W594 HydrophobicContact CG-CE3 3.35Å; Q567-W594 HydrophobicContact CG-CG 3.53Å; Q567-W594 HydrophobicContact CG-CZ3 4.09Å; Q567-W594 VanDerWaalsContact NE2-NE1 3.18Å; Q567-W594 WeakPolarHBondContact O-CZ3 3.47Å
568	Q	80.4	Confident	70.9	Confident	102 Å²	102	86 Å²	86	48%	0.477	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-39.6	177.1	-136.4	85.8	-2.5	0	0	113	S564 P565 Q572	S564-Q568 PolarHBondContact O-N 3.4Å; S564-Q568 VanDerWaalsContact O-N 3.13Å; P565-Q568 PolarHBondContact O-N 3.31Å; Q568-Q572 PolarHBondContact O-N 3.1Å
569	E	79	Confident	72.9	Confident	150 Å²	150	81.4 Å²	81.4	70%	0.701	46%	0.46	S	S	*	.	H	α-helix	trans	-74.5	-38.9	-176.2	-157.7	169.5	-160.2	0	0	111.8	P565 Q567 L571 A573	P565-E569 PolarHBondContact O-N 2.81Å; Q567-E569 PolarHBondContact O-N 3.41Å; E569-L571 PolarHBondContact O-N 3.19Å; E569-A573 PolarHBondContact O-N 2.92Å
570	M	69.2	Low	75.2	Confident	51 Å²	51	76.1 Å²	76.1	25%	0.251	43%	0.425	S	S	.	.	H	α-helix	trans	-67.5	-33.9	174.7	-145	172.5	-45.4	0	0	112.8	E566 F574 W594 D595 Y596	E566-M570 PolarHBondContact O-N 2.83Å; M570-F574 WeakPolarHBondContact O-CB 3.35Å; M570-F574 PolarHBondContact O-N 2.79Å; M570-W594 WeakPolarHBondContact CE-O 3.37Å; M570-D595 VanDerWaalsContact SD-C 3.58Å; M570-D595 VanDerWaalsContact SD-CA 3.56Å; M570-Y596 HydrophobicContact CB-CD2 4.37Å; M570-Y596 HydrophobicContact CG-CD2 3.47Å; M570-Y596 VanDerWaalsContact CG-CD2 3.47Å; M570-Y596 HydrophobicContact CG-CG 3.9Å; M570-Y596 WeakPolarHBondContact O-CD2 3.39Å; M570-Y596 WeakPolarHBondContact O-CE2 2.97Å; M570-Y596 PolarHBondContact SD-N 2.83Å
571	L	93.1	Very high	77.5	Confident	11 Å²	11	70.5 Å²	70.5	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-64.5	-45.6	175.1	175.4	61.1	0	0	0	114	L563 Q567 E569 F574 S575 L582 Q586 L589 W594	L563-L571 HydrophobicContact CD1-CD2 4.43Å; Q567-L571 WeakPolarHBondContact O-CB 3.44Å; Q567-L571 PolarHBondContact O-N 3.06Å; Q567-L571 VanDerWaalsContact O-N 3.15Å; E569-L571 PolarHBondContact O-N 3.19Å; L571-F574 PolarHBondContact O-N 3.24Å; L571-S575 PolarHBondContact O-N 2.88Å; L571-L582 HydrophobicContact CD2-CD2 4.49Å; L571-L582 HydrophobicContact CG-CD2 4.44Å; L571-Q586 HydrophobicContact CD1-CB 3.84Å; L571-Q586 HydrophobicContact CD2-CB 4.23Å; L571-Q586 HydrophobicContact CD2-CG 4.47Å; L571-L589 HydrophobicContact CB-CD1 3.77Å; L571-L589 HydrophobicContact CD1-CD1 3.38Å; L571-L589 HydrophobicContact CG-CD1 4.18Å; L571-W594 HydrophobicContact CB-CZ3 4.31Å
572	Q	81.5	Confident	79.3	Confident	141 Å²	141	71.3 Å²	71.3	66%	0.659	39%	0.388	S	S	*	.	H	α-helix	trans	-64.4	-46.8	179	-74.3	-149.9	1.3	0	0	113	Q568 F574 T576	Q568-Q572 PolarHBondContact O-N 3.1Å; Q572-F574 PolarHBondContact O-N 3.48Å; Q572-T576 PolarHBondContact O-N 3.47Å; Q572-T576 PolarHBondContact O-OG1 3.1Å
573	A	82.2	Confident	80.7	Confident	41 Å²	41	71.5 Å²	71.5	34%	0.339	38%	0.379	S	S	.	.	H	α-helix	trans	-67.3	-28.6	-175.9	0	0	0	0	0	110.4	E569 T576 Q577 Y596	E569-A573 PolarHBondContact O-N 2.92Å; A573-T576 WeakPolarHBondContact O-CB 3.46Å; A573-T576 PolarHBondContact O-N 3.39Å; A573-Q577 PolarHBondContact O-N 3.2Å; A573-Y596 WeakPolarHBondContact CA-OH 3.21Å; A573-Y596 HydrophobicContact CB-CD2 4.24Å; A573-Y596 HydrophobicContact CB-CE2 3.16Å; A573-Y596 VanDerWaalsContact CB-CZ 3.47Å; A573-Y596 WeakPolarHBondContact CB-OH 3.27Å; A573-Y596 PolarHBondContact O-OH 3.03Å
574	F	83.2	Confident	81.3	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-80.4	-42	-175	-171.8	-113	0	0	0	114	M570 L571 Q572 T576 Q577 S578 M580 C588 L589 Y596 S599 A600 F603	M570-F574 WeakPolarHBondContact O-CB 3.35Å; M570-F574 PolarHBondContact O-N 2.79Å; L571-F574 PolarHBondContact O-N 3.24Å; Q572-F574 PolarHBondContact O-N 3.48Å; F574-T576 PolarHBondContact O-N 3.14Å; F574-Q577 PolarHBondContact O-N 3.33Å; F574-S578 PolarHBondContact O-N 3.49Å; F574-S578 VanDerWaalsContact O-N 3.16Å; F574-S578 PolarHBondContact O-OG 3.16Å; F574-M580 HydrophobicContact CE1-CE 3.76Å; F574-M580 HydrophobicContact CZ-CE 4.06Å; F574-C588 HydrophobicContact CE1-CB 4.14Å; F574-C588 VanDerWaalsContact CE1-SG 3.51Å; F574-L589 HydrophobicContact CB-CD1 4.2Å; F574-L589 HydrophobicContact CD1-CD1 4.23Å; F574-L589 HydrophobicContact CD1-CG 4.23Å; F574-Y596 HydrophobicContact CB-CD2 4.16Å; F574-Y596 HydrophobicContact CB-CE2 3.81Å; F574-S599 WeakPolarHBondContact CE2-O 3.06Å; F574-S599 WeakPolarHBondContact CZ-O 3.18Å; F574-A600 HydrophobicContact CD2-CB 3.51Å; F574-A600 HydrophobicContact CE2-CB 3.33Å; F574-A600 HydrophobicContact CZ-CB 4.4Å; F574-F603 HydrophobicContact CZ-CB 3.79Å
575	S	88	Confident	81.5	Confident	24 Å²	24	70.7 Å²	70.7	17%	0.168	37%	0.365	C	S	.	.	H	α-helix	trans	-56.3	-33.8	170.2	174.8	0	0	0	0	111.5	L571 G579 M580 S585	L571-S575 PolarHBondContact O-N 2.88Å; S575-G579 WeakPolarHBondContact O-CA 3.34Å; S575-G579 PolarHBondContact O-N 3.39Å; S575-M580 PolarHBondContact OG-O 3.06Å; S575-S585 WeakPolarHBondContact CA-OG 3.38Å; S575-S585 VanDerWaalsContact CB-OG 3.25Å; S575-S585 WeakPolarHBondContact CB-OG 2.94Å
576	T	85.4	Confident	81.8	Confident	118 Å²	118	68.3 Å²	68.3	72%	0.724	34%	0.344	S	S	*	.	H	α-helix	trans	-70.3	-48.6	179.4	-55.5	0	0	0	0	112.7	Q572 A573 F574	Q572-T576 PolarHBondContact O-N 3.47Å; Q572-T576 PolarHBondContact O-OG1 3.1Å; A573-T576 WeakPolarHBondContact O-CB 3.46Å; A573-T576 PolarHBondContact O-N 3.39Å; F574-T576 PolarHBondContact O-N 3.14Å
577	Q	67.1	Low	82.6	Confident	131 Å²	131	65.9 Å²	65.9	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-75.8	-29.2	-175.6	-167.7	173.2	19	0	0	113.2	A573 F574	A573-Q577 PolarHBondContact O-N 3.2Å; F574-Q577 PolarHBondContact O-N 3.33Å
578	S	79.5	Confident	82.1	Confident	7 Å²	7	64.8 Å²	64.8	5%	0.049	33%	0.328	C	S	.	.	H	α-helix	trans	-82.6	-51.5	176	55.1	0	0	0	0	112.6	F574 F603	F574-S578 PolarHBondContact O-N 3.49Å; F574-S578 VanDerWaalsContact O-N 3.16Å; F574-S578 PolarHBondContact O-OG 3.16Å; S578-F603 VanDerWaalsContact CB-CD2 3.46Å; S578-F603 WeakPolarHBondContact O-CE1 3.34Å; S578-F603 WeakPolarHBondContact O-CZ 3.44Å
579	G	73.8	Confident	82.1	Confident	18 Å²	18	59.9 Å²	59.9	19%	0.186	31%	0.306	C	S	.	.			trans	92.7	21	-172.9	0	0	0	0	0	114.2	S575	S575-G579 WeakPolarHBondContact O-CA 3.34Å; S575-G579 PolarHBondContact O-N 3.39Å
580	M	87	Confident	81.8	Confident	11 Å²	11	56.4 Å²	56.4	5%	0.054	29%	0.289	C	S	.	.			trans	-82.8	157	163.6	-61.8	-177.5	-67.9	0	0	110.9	F574 S575 W584 C588 F603 A616 F617	F574-M580 HydrophobicContact CE1-CE 3.76Å; F574-M580 HydrophobicContact CZ-CE 4.06Å; S575-M580 PolarHBondContact OG-O 3.06Å; M580-W584 HydrophobicContact CB-CB 4.25Å; M580-W584 HydrophobicContact SD-CB 4.38Å; M580-C588 HydrophobicContact CE-CB 4.31Å; M580-F603 HydrophobicContact CE-CB 4.1Å; M580-F603 HydrophobicContact CE-CD2 3.65Å; M580-F603 HydrophobicContact CE-CE2 4.46Å; M580-F603 HydrophobicContact CE-CG 4.21Å; M580-F603 HydrophobicContact CG-CD2 3.6Å; M580-F603 HydrophobicContact CG-CE2 3.46Å; M580-F603 VanDerWaalsContact CG-CE2 3.46Å; M580-F603 HydrophobicContact SD-CD2 3.55Å; M580-F603 VanDerWaalsContact SD-CD2 3.55Å; M580-F603 HydrophobicContact SD-CE2 4.02Å; M580-A616 VanDerWaalsContact CA-O 3.27Å; M580-A616 WeakPolarHBondContact CA-O 3.19Å; M580-F617 HydrophobicContact CG-CE1 4.33Å
581	N	85.3	Confident	82.1	Confident	23 Å²	23	59.6 Å²	59.6	12%	0.123	31%	0.307	C	S	.	.			trans	-66.4	171.2	171.3	65.7	36	0	0	0	112.4	E583 W584 S585 V615 A616 M618	N581-E583 PolarHBondContact O-N 3.37Å; N581-E583 PolarHBondContact OD1-N 3.41Å; N581-W584 WeakPolarHBondContact OD1-CB 3.44Å; N581-W584 PolarHBondContact OD1-N 2.88Å; N581-S585 WeakPolarHBondContact O-CB 3.3Å; N581-S585 PolarHBondContact O-N 3.14Å; N581-S585 PolarHBondContact O-OG 3.01Å; N581-V615 PolarHBondContact ND2-O 2.75Å; N581-A616 PolarHBondContact N-O 2.85Å; N581-A616 VanDerWaalsContact N-O 3.09Å; N581-M618 WeakPolarHBondContact CB-O 3.33Å; N581-M618 PolarHBondContact ND2-O 2.9Å
582	L	86.1	Confident	80.6	Confident	110 Å²	110	61.5 Å²	61.5	58%	0.576	32%	0.318	S	S	*	.	H	α-helix	trans	-62.6	-37.9	-175.7	-91.7	145	0	0	0	113.2	L571 S585 Q586	L571-L582 HydrophobicContact CD2-CD2 4.49Å; L571-L582 HydrophobicContact CG-CD2 4.44Å; L582-S585 PolarHBondContact O-N 3.5Å; L582-Q586 WeakPolarHBondContact O-CB 3.17Å; L582-Q586 PolarHBondContact O-N 3.26Å
583	E	86.2	Confident	80.2	Confident	152 Å²	152	61.9 Å²	61.9	71%	0.71	32%	0.324	S	S	*	.	H	α-helix	trans	-65.4	-46.8	-178.6	-64.6	-175.7	163.2	0	0	112.1	N581 S585 Q586 K587	N581-E583 PolarHBondContact O-N 3.37Å; N581-E583 PolarHBondContact OD1-N 3.41Å; E583-S585 VanDerWaalsContact C-N 3.35Å; E583-Q586 PolarHBondContact O-N 3.19Å; E583-K587 VanDerWaalsContact O-CB 3.26Å; E583-K587 WeakPolarHBondContact O-CB 3.44Å; E583-K587 PolarHBondContact O-N 2.94Å
584	W	87.9	Confident	79.3	Confident	76 Å²	76	61.9 Å²	61.9	29%	0.288	32%	0.315	S	S	.	.	H	α-helix	trans	-72	-29.8	177.8	-76.6	81.5	0	0	0	112.6	M580 N581 C588 P613 V615 A616	M580-W584 HydrophobicContact CB-CB 4.25Å; M580-W584 HydrophobicContact SD-CB 4.38Å; N581-W584 WeakPolarHBondContact OD1-CB 3.44Å; N581-W584 PolarHBondContact OD1-N 2.88Å; W584-C588 WeakPolarHBondContact O-CB 3.49Å; W584-C588 PolarHBondContact O-N 2.84Å; W584-P613 HydrophobicContact CH2-CG 3.36Å; W584-P613 HydrophobicContact CZ2-CG 3.5Å; W584-P613 VanDerWaalsContact CZ2-CG 3.5Å; W584-P613 HydrophobicContact CZ3-CG 4.26Å; W584-V615 HydrophobicContact CZ2-CG2 4.1Å; W584-A616 HydrophobicContact CB-CB 4.23Å; W584-A616 HydrophobicContact CD2-CB 3.45Å; W584-A616 VanDerWaalsContact CD2-CB 3.45Å; W584-A616 HydrophobicContact CE3-CB 3.99Å; W584-A616 HydrophobicContact CG-CB 3.56Å; W584-A616 HydrophobicContact CZ2-CB 4.3Å
585	S	84.8	Confident	78.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-69.8	-44.1	173.2	-56.6	0	0	0	0	111.4	S575 N581 L582 E583 C588 L589	S575-S585 WeakPolarHBondContact CA-OG 3.38Å; S575-S585 VanDerWaalsContact CB-OG 3.25Å; S575-S585 WeakPolarHBondContact CB-OG 2.94Å; N581-S585 WeakPolarHBondContact O-CB 3.3Å; N581-S585 PolarHBondContact O-N 3.14Å; N581-S585 PolarHBondContact O-OG 3.01Å; L582-S585 PolarHBondContact O-N 3.5Å; E583-S585 VanDerWaalsContact C-N 3.35Å; S585-C588 WeakPolarHBondContact O-CB 3.41Å; S585-C588 PolarHBondContact O-N 3.15Å; S585-L589 WeakPolarHBondContact O-CB 3.14Å; S585-L589 WeakPolarHBondContact O-CD1 3.47Å; S585-L589 WeakPolarHBondContact O-CG 3.37Å; S585-L589 PolarHBondContact O-N 3.24Å
586	Q	84.9	Confident	77.7	Confident	64 Å²	64	67.1 Å²	67.1	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-65.6	-41.7	174.7	-178.9	177.3	-23.7	0	0	111.4	L571 L582 E583 L589 Q590	L571-Q586 HydrophobicContact CD1-CB 3.84Å; L571-Q586 HydrophobicContact CD2-CB 4.23Å; L571-Q586 HydrophobicContact CD2-CG 4.47Å; L582-Q586 WeakPolarHBondContact O-CB 3.17Å; L582-Q586 PolarHBondContact O-N 3.26Å; E583-Q586 PolarHBondContact O-N 3.19Å; Q586-L589 PolarHBondContact O-N 3Å; Q586-L589 VanDerWaalsContact O-N 3.17Å; Q586-Q590 HydrophobicContact CG-CG 4.23Å; Q586-Q590 VanDerWaalsContact NE2-NE2 3.17Å; Q586-Q590 WeakPolarHBondContact O-CB 3.43Å; Q586-Q590 WeakPolarHBondContact O-CG 3.17Å; Q586-Q590 PolarHBondContact O-N 2.78Å
587	K	85	Confident	76.3	Confident	107 Å²	107	66.5 Å²	66.5	47%	0.465	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-47.8	171.8	-173.5	172.3	-179.1	169.1	0	111.1	E583 L589 Q590 D591	E583-K587 VanDerWaalsContact O-CB 3.26Å; E583-K587 WeakPolarHBondContact O-CB 3.44Å; E583-K587 PolarHBondContact O-N 2.94Å; K587-L589 VanDerWaalsContact C-N 3.26Å; K587-L589 PolarHBondContact O-N 3.45Å; K587-Q590 PolarHBondContact O-N 2.83Å; K587-D591 WeakPolarHBondContact O-CB 3.04Å; K587-D591 PolarHBondContact O-N 2.9Å
588	C	74.1	Confident	76	Confident	23 Å²	23	68.9 Å²	68.9	16%	0.155	34%	0.337	C	S	.	.	H	α-helix	trans	-56.7	-36.6	173.5	-174.2	0	0	0	0	112.6	F574 M580 W584 S585 N592	F574-C588 HydrophobicContact CE1-CB 4.14Å; F574-C588 VanDerWaalsContact CE1-SG 3.51Å; M580-C588 HydrophobicContact CE-CB 4.31Å; W584-C588 WeakPolarHBondContact O-CB 3.49Å; W584-C588 PolarHBondContact O-N 2.84Å; S585-C588 WeakPolarHBondContact O-CB 3.41Å; S585-C588 PolarHBondContact O-N 3.15Å; C588-N592 VanDerWaalsContact O-CB 3.27Å; C588-N592 WeakPolarHBondContact O-CB 3.32Å; C588-N592 PolarHBondContact O-N 3.49Å; C588-N592 PolarHBondContact O-ND2 3.4Å
589	L	80.5	Confident	75.2	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-82.9	-38.4	-179.7	-75.6	155.8	0	0	0	113.6	L571 F574 S585 Q586 K587 D591 N592 N593 W594 S599	L571-L589 HydrophobicContact CB-CD1 3.77Å; L571-L589 HydrophobicContact CD1-CD1 3.38Å; L571-L589 HydrophobicContact CG-CD1 4.18Å; F574-L589 HydrophobicContact CB-CD1 4.2Å; F574-L589 HydrophobicContact CD1-CD1 4.23Å; F574-L589 HydrophobicContact CD1-CG 4.23Å; S585-L589 WeakPolarHBondContact O-CB 3.14Å; S585-L589 WeakPolarHBondContact O-CD1 3.47Å; S585-L589 WeakPolarHBondContact O-CG 3.37Å; S585-L589 PolarHBondContact O-N 3.24Å; Q586-L589 PolarHBondContact O-N 3Å; Q586-L589 VanDerWaalsContact O-N 3.17Å; K587-L589 VanDerWaalsContact C-N 3.26Å; K587-L589 PolarHBondContact O-N 3.45Å; L589-D591 VanDerWaalsContact C-N 3.34Å; L589-N592 CarbonylContact O-C 3.54Å; L589-N592 PolarHBondContact O-N 2.77Å; L589-N593 PolarHBondContact O-N 2.91Å; L589-W594 HydrophobicContact CB-CE3 4.39Å; L589-W594 HydrophobicContact CB-CZ3 4.47Å; L589-W594 PolarHBondContact O-N 3.16Å; L589-S599 WeakPolarHBondContact CD2-OG 3.5Å
590	Q	74.2	Confident	75.4	Confident	77 Å²	77	68 Å²	68	36%	0.36	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-41.2	171.3	-76.8	-179.8	-21	0	0	110.9	Q586 K587 N592 N593 W594	Q586-Q590 HydrophobicContact CG-CG 4.23Å; Q586-Q590 VanDerWaalsContact NE2-NE2 3.17Å; Q586-Q590 WeakPolarHBondContact O-CB 3.43Å; Q586-Q590 WeakPolarHBondContact O-CG 3.17Å; Q586-Q590 PolarHBondContact O-N 2.78Å; K587-Q590 PolarHBondContact O-N 2.83Å; Q590-N592 VanDerWaalsContact C-N 3.25Å; Q590-N592 PolarHBondContact O-N 3.21Å; Q590-N593 PolarHBondContact O-N 3.22Å; Q590-W594 HydrophobicContact CG-CZ2 3.84Å
591	D	75.1	Confident	73.6	Confident	118 Å²	118	75.1 Å²	75.1	63%	0.631	36%	0.361	S	S	*	.	H	α-helix	trans	-67.7	-22.9	175.2	-65.2	-15.5	0	0	0	112.3	K587 L589	K587-D591 WeakPolarHBondContact O-CB 3.04Å; K587-D591 PolarHBondContact O-N 2.9Å; L589-D591 VanDerWaalsContact C-N 3.34Å
592	N	61.8	Low	73.1	Confident	51 Å²	51	76.3 Å²	76.3	27%	0.273	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	20.3	176.8	-79.9	-72.3	0	0	0	114.1	C588 L589 Q590 W594 D595	C588-N592 VanDerWaalsContact O-CB 3.27Å; C588-N592 WeakPolarHBondContact O-CB 3.32Å; C588-N592 PolarHBondContact O-N 3.49Å; C588-N592 PolarHBondContact O-ND2 3.4Å; L589-N592 CarbonylContact O-C 3.54Å; L589-N592 PolarHBondContact O-N 2.77Å; Q590-N592 VanDerWaalsContact C-N 3.25Å; Q590-N592 PolarHBondContact O-N 3.21Å; N592-W594 PolarHBondContact O-N 3.36Å; N592-D595 PolarHBondContact O-N 3.5Å
593	N	72.5	Confident	72	Confident	149 Å²	149	71.5 Å²	71.5	80%	0.797	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	23.5	-179.7	-66.3	-28.7	0	0	0	114.8	L589 Q590	L589-N593 PolarHBondContact O-N 2.91Å; Q590-N593 PolarHBondContact O-N 3.22Å
594	W	62.4	Low	71	Confident	40 Å²	40	68.4 Å²	68.4	15%	0.152	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	48.6	-177.7	-53.1	83.1	0	0	0	118.5	L563 Q567 M570 L571 L589 Q590 N592	L563-W594 HydrophobicContact CB-CH2 4.4Å; L563-W594 HydrophobicContact CD1-CH2 3.27Å; L563-W594 HydrophobicContact CD1-CZ2 4Å; L563-W594 HydrophobicContact CD1-CZ3 4.08Å; L563-W594 HydrophobicContact CD2-CH2 3.24Å; L563-W594 HydrophobicContact CD2-CZ2 2.97Å; L563-W594 HydrophobicContact CD2-CZ3 4.35Å; L563-W594 HydrophobicContact CG-CH2 3.73Å; L563-W594 HydrophobicContact CG-CZ2 4Å; Q567-W594 VanDerWaalsContact CA-CE3 3.42Å; Q567-W594 HydrophobicContact CB-CD2 3.59Å; Q567-W594 HydrophobicContact CB-CE3 3.13Å; Q567-W594 HydrophobicContact CB-CG 4.37Å; Q567-W594 HydrophobicContact CB-CH2 4.09Å; Q567-W594 HydrophobicContact CB-CZ2 4.46Å; Q567-W594 HydrophobicContact CB-CZ3 3.39Å; Q567-W594 VanDerWaalsContact CD-CD2 3.45Å; Q567-W594 HydrophobicContact CG-CB 3.95Å; Q567-W594 HydrophobicContact CG-CD2 3.25Å; Q567-W594 HydrophobicContact CG-CE3 3.35Å; Q567-W594 HydrophobicContact CG-CG 3.53Å; Q567-W594 HydrophobicContact CG-CZ3 4.09Å; Q567-W594 VanDerWaalsContact NE2-NE1 3.18Å; Q567-W594 WeakPolarHBondContact O-CZ3 3.47Å; M570-W594 WeakPolarHBondContact CE-O 3.37Å; L571-W594 HydrophobicContact CB-CZ3 4.31Å; L589-W594 HydrophobicContact CB-CE3 4.39Å; L589-W594 HydrophobicContact CB-CZ3 4.47Å; L589-W594 PolarHBondContact O-N 3.16Å; Q590-W594 HydrophobicContact CG-CZ2 3.84Å; N592-W594 PolarHBondContact O-N 3.36Å
595	D	63.1	Low	69.1	Low	78 Å²	78	70.6 Å²	70.6	42%	0.417	35%	0.354	S	S	.	.			trans	-114.3	129.1	166.6	-174.2	-29.9	0	0	0	114.5	M570 N592 T597 R598 S599	M570-D595 VanDerWaalsContact SD-C 3.58Å; M570-D595 VanDerWaalsContact SD-CA 3.56Å; N592-D595 PolarHBondContact O-N 3.5Å; D595-T597 PolarHBondContact OD1-N 2.71Å; D595-R598 HydrophobicContact CB-CB 4.47Å; D595-S599 WeakPolarHBondContact O-CB 3.22Å; D595-S599 PolarHBondContact O-N 3.4Å; D595-S599 PolarHBondContact O-OG 2.8Å
596	Y	75.8	Confident	68.8	Low	57 Å²	57	75.1 Å²	75.1	22%	0.224	38%	0.378	C	S	.	.	H	α-helix	trans	-70.3	-64	-172.2	-165.9	-94.3	0	0	0	115.5	M570 A573 F574 R598 S599 A600	M570-Y596 HydrophobicContact CB-CD2 4.37Å; M570-Y596 HydrophobicContact CG-CD2 3.47Å; M570-Y596 VanDerWaalsContact CG-CD2 3.47Å; M570-Y596 HydrophobicContact CG-CG 3.9Å; M570-Y596 WeakPolarHBondContact O-CD2 3.39Å; M570-Y596 WeakPolarHBondContact O-CE2 2.97Å; M570-Y596 PolarHBondContact SD-N 2.83Å; A573-Y596 WeakPolarHBondContact CA-OH 3.21Å; A573-Y596 HydrophobicContact CB-CD2 4.24Å; A573-Y596 HydrophobicContact CB-CE2 3.16Å; A573-Y596 VanDerWaalsContact CB-CZ 3.47Å; A573-Y596 WeakPolarHBondContact CB-OH 3.27Å; A573-Y596 PolarHBondContact O-OH 3.03Å; F574-Y596 HydrophobicContact CB-CD2 4.16Å; F574-Y596 HydrophobicContact CB-CE2 3.81Å; Y596-R598 PolarHBondContact O-N 2.77Å; Y596-S599 PolarHBondContact O-N 3.26Å; Y596-S599 VanDerWaalsContact O-N 3.11Å; Y596-A600 PolarHBondContact O-N 2.77Å; Y596-A600 VanDerWaalsContact O-N 3.14Å
597	T	54.5	Low	68	Low	104 Å²	104	77 Å²	77	64%	0.638	39%	0.385	S	S	*	.	H	α-helix	trans	-67.7	-15.7	-168	-5.5	0	0	0	0	109.8	D595	D595-T597 PolarHBondContact OD1-N 2.71Å
598	R	61.2	Low	66.7	Low	182 Å²	182	75.5 Å²	75.5	69%	0.687	39%	0.392	S	S	*	.	H	α-helix	trans	-88.9	-37.9	172.5	-157.1	175.6	-164.1	173.7	2.8	115.2	D595 Y596 A600 A602	D595-R598 HydrophobicContact CB-CB 4.47Å; Y596-R598 PolarHBondContact O-N 2.77Å; R598-A600 PolarHBondContact O-N 3.45Å; R598-A602 VanDerWaalsContact O-CB 3.3Å; R598-A602 WeakPolarHBondContact O-CB 3.37Å; R598-A602 PolarHBondContact O-N 3.12Å
599	S	62.6	Low	66	Low	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-61.6	-34.7	170.5	-58.5	0	0	0	0	111.3	F574 L589 D595 Y596 A602 F603	F574-S599 WeakPolarHBondContact CE2-O 3.06Å; F574-S599 WeakPolarHBondContact CZ-O 3.18Å; L589-S599 WeakPolarHBondContact CD2-OG 3.5Å; D595-S599 WeakPolarHBondContact O-CB 3.22Å; D595-S599 PolarHBondContact O-N 3.4Å; D595-S599 PolarHBondContact O-OG 2.8Å; Y596-S599 PolarHBondContact O-N 3.26Å; Y596-S599 VanDerWaalsContact O-N 3.11Å; S599-A602 WeakPolarHBondContact O-CB 3.5Å; S599-A602 PolarHBondContact O-N 3.29Å; S599-F603 PolarHBondContact O-N 2.9Å
600	A	78.9	Confident	65.6	Low	5 Å²	5	84.9 Å²	84.9	4%	0.041	45%	0.448	C	S	.	.	H	α-helix	trans	-76.8	-51	-173.8	0	0	0	0	0	118.6	F574 Y596 R598 A602 T604	F574-A600 HydrophobicContact CD2-CB 3.51Å; F574-A600 HydrophobicContact CE2-CB 3.33Å; F574-A600 HydrophobicContact CZ-CB 4.4Å; Y596-A600 PolarHBondContact O-N 2.77Å; Y596-A600 VanDerWaalsContact O-N 3.14Å; R598-A600 PolarHBondContact O-N 3.45Å; A600-A602 PolarHBondContact O-N 3.07Å; A600-T604 PolarHBondContact O-OG1 2.62Å
601	Q	48.6	Very low	65.3	Low	161 Å²	161	88.4 Å²	88.4	75%	0.752	47%	0.465	S	S	*	.	H	α-helix	trans	-66.7	-19	173.8	-61.1	-171.2	-3.6	0	0	109.9
602	A	74.6	Confident	65.5	Low	49 Å²	49	83.7 Å²	83.7	41%	0.405	44%	0.439	S	S	.	.	H	α-helix	trans	-72.9	-26.4	175.8	0	0	0	0	0	117.6	R598 S599 A600	R598-A602 VanDerWaalsContact O-CB 3.3Å; R598-A602 WeakPolarHBondContact O-CB 3.37Å; R598-A602 PolarHBondContact O-N 3.12Å; S599-A602 WeakPolarHBondContact O-CB 3.5Å; S599-A602 PolarHBondContact O-N 3.29Å; A600-A602 PolarHBondContact O-N 3.07Å
603	F	63.7	Low	66.3	Low	9 Å²	9	84 Å²	84	4%	0.039	44%	0.444	C	S	.	.	H	α-helix	trans	-75.3	-46.8	174.2	155.9	-94.4	0	0	0	113.9	F574 S578 M580 S599 H605 L606 K607 I612 F617	F574-F603 HydrophobicContact CZ-CB 3.79Å; S578-F603 VanDerWaalsContact CB-CD2 3.46Å; S578-F603 WeakPolarHBondContact O-CE1 3.34Å; S578-F603 WeakPolarHBondContact O-CZ 3.44Å; M580-F603 HydrophobicContact CE-CB 4.1Å; M580-F603 HydrophobicContact CE-CD2 3.65Å; M580-F603 HydrophobicContact CE-CE2 4.46Å; M580-F603 HydrophobicContact CE-CG 4.21Å; M580-F603 HydrophobicContact CG-CD2 3.6Å; M580-F603 HydrophobicContact CG-CE2 3.46Å; M580-F603 VanDerWaalsContact CG-CE2 3.46Å; M580-F603 HydrophobicContact SD-CD2 3.55Å; M580-F603 VanDerWaalsContact SD-CD2 3.55Å; M580-F603 HydrophobicContact SD-CE2 4.02Å; S599-F603 PolarHBondContact O-N 2.9Å; F603-H605 PolarHBondContact O-N 3.42Å; F603-H605 VanDerWaalsContact O-N 3.09Å; F603-L606 PolarHBondContact O-N 2.94Å; F603-K607 HydrophobicContact CE1-CD 3.91Å; F603-K607 HydrophobicContact CE2-CB 4.34Å; F603-K607 HydrophobicContact CE2-CD 4.01Å; F603-K607 HydrophobicContact CZ-CB 4.22Å; F603-K607 HydrophobicContact CZ-CD 3.29Å; F603-K607 HydrophobicContact CZ-CG 4.4Å; F603-K607 PolarHBondContact O-N 3.07Å; F603-I612 HydrophobicContact CD2-CD1 4.29Å; F603-I612 HydrophobicContact CE2-CD1 4.39Å; F603-F617 AromaticContact CE2-CE1 3.47Å; F603-F617 HydrophobicContact CE2-CE1 3.47Å; F603-F617 VanDerWaalsContact CE2-CE1 3.47Å; F603-F617 AromaticContact CE2-CZ 3.87Å; F603-F617 HydrophobicContact CE2-CZ 3.87Å; F603-F617 AromaticContact CZ-CE1 3.81Å; F603-F617 HydrophobicContact CZ-CE1 3.81Å; F603-F617 HydrophobicContact CZ-CZ 4.4Å
604	T	65.4	Low	66.5	Low	87 Å²	87	85 Å²	85	53%	0.534	44%	0.444	S	S	.	.	H	α-helix	trans	-59.8	-33	-162.2	-55.9	0	0	0	0	111.8	A600	A600-T604 PolarHBondContact O-OG1 2.62Å
605	H	47.2	Very low	67.4	Low	122 Å²	122	86.9 Å²	86.9	57%	0.565	46%	0.46	S	S	*	.	H	α-helix	trans	-88.4	-33.9	174.3	-148.7	45.2	0	0	0	115.5	F603 K607 A608	F603-H605 PolarHBondContact O-N 3.42Å; F603-H605 VanDerWaalsContact O-N 3.09Å; H605-K607 PolarHBondContact O-N 3.19Å; H605-K607 VanDerWaalsContact O-N 3.12Å; H605-A608 PolarHBondContact O-N 2.56Å
606	L	78	Confident	68	Low	95 Å²	95	83.2 Å²	83.2	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-56.8	-29.1	174.4	-85.4	173.8	0	0	0	113	F603 I612	F603-L606 PolarHBondContact O-N 2.94Å; L606-I612 HydrophobicContact CB-CD1 3.52Å; L606-I612 HydrophobicContact CB-CG1 3.68Å
607	K	69.2	Low	68.3	Low	104 Å²	104	83.7 Å²	83.7	45%	0.452	44%	0.443	S	S	.	.	H	α-helix	trans	-69.5	-44	171.8	177.9	167.9	-179	174.3	0	114.4	F603 H605 K609 G610 I612 F617	F603-K607 HydrophobicContact CE1-CD 3.91Å; F603-K607 HydrophobicContact CE2-CB 4.34Å; F603-K607 HydrophobicContact CE2-CD 4.01Å; F603-K607 HydrophobicContact CZ-CB 4.22Å; F603-K607 HydrophobicContact CZ-CD 3.29Å; F603-K607 HydrophobicContact CZ-CG 4.4Å; F603-K607 PolarHBondContact O-N 3.07Å; H605-K607 PolarHBondContact O-N 3.19Å; H605-K607 VanDerWaalsContact O-N 3.12Å; K607-K609 PolarHBondContact O-N 3.39Å; K607-G610 PolarHBondContact O-N 2.65Å; K607-I612 HydrophobicContact CB-CD1 4.15Å; K607-F617 HydrophobicContact CB-CZ 3.96Å; K607-F617 HydrophobicContact CD-CE1 3.73Å; K607-F617 HydrophobicContact CD-CZ 3.85Å; K607-F617 HydrophobicContact CG-CE1 4.21Å; K607-F617 HydrophobicContact CG-CZ 3.8Å
608	A	56.3	Low	69.1	Low	75 Å²	75	84.8 Å²	84.8	62%	0.62	44%	0.442	S	S	*	.	H	α-helix	trans	-72.9	-10.3	-173.7	0	0	0	0	0	113.1	H605	H605-A608 PolarHBondContact O-N 2.56Å
609	K	60.6	Low	69	Low	157 Å²	157	86.8 Å²	86.8	68%	0.683	46%	0.456	S	S	*	.	H	α-helix	trans	-104.4	-12.4	170.4	-79.4	-172.4	173.7	-176.2	0	115.7	K607	K607-K609 PolarHBondContact O-N 3.39Å
610	G	72.1	Confident	69.4	Low	62 Å²	62	91.2 Å²	91.2	64%	0.639	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	18.3	172	0	0	0	0	0	117.5	K607	K607-G610 PolarHBondContact O-N 2.65Å
611	E	67.7	Low	68.9	Low	152 Å²	152	95.7 Å²	95.7	71%	0.71	50%	0.502	S	S	*	.			trans	-93.1	-8.5	179	-70.2	-178.6	179.7	0	0	114.1	P613	E611-P613 WeakPolarHBondContact O-CD 3.27Å
612	I	78.3	Confident	70	Confident	19 Å²	19	92.1 Å²	92.1	10%	0.097	49%	0.488	C	S	.	.	S	Bend	trans	-76.1	119.5	171	-62.7	174.1	0	0	0	106.6	F603 L606 K607 E614 A616 F617	F603-I612 HydrophobicContact CD2-CD1 4.29Å; F603-I612 HydrophobicContact CE2-CD1 4.39Å; L606-I612 HydrophobicContact CB-CD1 3.52Å; L606-I612 HydrophobicContact CB-CG1 3.68Å; K607-I612 HydrophobicContact CB-CD1 4.15Å; I612-E614 PolarHBondContact O-N 3.5Å; I612-A616 HydrophobicContact CG2-CB 3.26Å; I612-F617 HydrophobicContact CB-CE2 3.6Å; I612-F617 HydrophobicContact CB-CZ 4.09Å; I612-F617 HydrophobicContact CD1-CE2 4.13Å; I612-F617 HydrophobicContact CD1-CZ 3.7Å; I612-F617 HydrophobicContact CG1-CE2 4.49Å; I612-F617 HydrophobicContact CG2-CD2 3.93Å; I612-F617 HydrophobicContact CG2-CE2 3.27Å; I612-F617 HydrophobicContact CG2-CZ 3.81Å
613	P	78.5	Confident	69.7	Low	58 Å²	58	94.6 Å²	94.6	38%	0.377	49%	0.493	S	S	.	.			trans	-60.2	142.6	-178.6	25.2	-33.2	0	0	0	109.8	W584 E611 V615 A616	W584-P613 HydrophobicContact CH2-CG 3.36Å; W584-P613 HydrophobicContact CZ2-CG 3.5Å; W584-P613 VanDerWaalsContact CZ2-CG 3.5Å; W584-P613 HydrophobicContact CZ3-CG 4.26Å; E611-P613 WeakPolarHBondContact O-CD 3.27Å; P613-V615 HydrophobicContact CB-CG2 3.77Å; P613-V615 HydrophobicContact CG-CG2 3.89Å; P613-V615 PolarHBondContact O-N 3.41Å; P613-A616 WeakPolarHBondContact O-CB 3.27Å; P613-A616 PolarHBondContact O-N 3.06Å
614	E	78.5	Confident	70.1	Confident	170 Å²	170	99.9 Å²	99.9	79%	0.794	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-52.3	-32	-173.4	-67.9	-175	165.2	0	0	112.6	I612 A616 F617 M618	I612-E614 PolarHBondContact O-N 3.5Å; E614-A616 PolarHBondContact O-N 2.91Å; E614-A616 VanDerWaalsContact O-N 3.12Å; E614-F617 PolarHBondContact O-N 3.49Å; E614-M618 PolarHBondContact O-N 3.26Å
615	V	80	Confident	70.4	Confident	79 Å²	79	100.8 Å²	100.8	48%	0.479	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-53.8	-25.6	173.2	-65.1	0	0	0	0	115.2	N581 W584 P613 F617 M618	N581-V615 PolarHBondContact ND2-O 2.75Å; W584-V615 HydrophobicContact CZ2-CG2 4.1Å; P613-V615 HydrophobicContact CB-CG2 3.77Å; P613-V615 HydrophobicContact CG-CG2 3.89Å; P613-V615 PolarHBondContact O-N 3.41Å; V615-F617 VanDerWaalsContact C-N 3.26Å; V615-F617 PolarHBondContact O-N 2.94Å; V615-M618 HydrophobicContact CB-SD 4.48Å; V615-M618 HydrophobicContact CG1-SD 4.09Å; V615-M618 PolarHBondContact O-N 2.97Å
616	A	75.7	Confident	72.1	Confident	0 Å²	0	99.3 Å²	99.3	0%	0	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-75.2	-18.4	178.2	0	0	0	0	0	113.2	M580 N581 W584 I612 P613 E614	M580-A616 VanDerWaalsContact CA-O 3.27Å; M580-A616 WeakPolarHBondContact CA-O 3.19Å; N581-A616 PolarHBondContact N-O 2.85Å; N581-A616 VanDerWaalsContact N-O 3.09Å; W584-A616 HydrophobicContact CB-CB 4.23Å; W584-A616 HydrophobicContact CD2-CB 3.45Å; W584-A616 VanDerWaalsContact CD2-CB 3.45Å; W584-A616 HydrophobicContact CE3-CB 3.99Å; W584-A616 HydrophobicContact CG-CB 3.56Å; W584-A616 HydrophobicContact CZ2-CB 4.3Å; I612-A616 HydrophobicContact CG2-CB 3.26Å; P613-A616 WeakPolarHBondContact O-CB 3.27Å; P613-A616 PolarHBondContact O-N 3.06Å; E614-A616 PolarHBondContact O-N 2.91Å; E614-A616 VanDerWaalsContact O-N 3.12Å
617	F	81.7	Confident	71.6	Confident	67 Å²	67	99.6 Å²	99.6	29%	0.294	52%	0.519	S	S	.	.	S	Bend	trans	-104.2	-2.2	175.5	-61	-75.6	0	0	0	112.5	M580 F603 K607 I612 E614 V615 K619	M580-F617 HydrophobicContact CG-CE1 4.33Å; F603-F617 AromaticContact CE2-CE1 3.47Å; F603-F617 HydrophobicContact CE2-CE1 3.47Å; F603-F617 VanDerWaalsContact CE2-CE1 3.47Å; F603-F617 AromaticContact CE2-CZ 3.87Å; F603-F617 HydrophobicContact CE2-CZ 3.87Å; F603-F617 AromaticContact CZ-CE1 3.81Å; F603-F617 HydrophobicContact CZ-CE1 3.81Å; F603-F617 HydrophobicContact CZ-CZ 4.4Å; K607-F617 HydrophobicContact CB-CZ 3.96Å; K607-F617 HydrophobicContact CD-CE1 3.73Å; K607-F617 HydrophobicContact CD-CZ 3.85Å; K607-F617 HydrophobicContact CG-CE1 4.21Å; K607-F617 HydrophobicContact CG-CZ 3.8Å; I612-F617 HydrophobicContact CB-CE2 3.6Å; I612-F617 HydrophobicContact CB-CZ 4.09Å; I612-F617 HydrophobicContact CD1-CE2 4.13Å; I612-F617 HydrophobicContact CD1-CZ 3.7Å; I612-F617 HydrophobicContact CG1-CE2 4.49Å; I612-F617 HydrophobicContact CG2-CD2 3.93Å; I612-F617 HydrophobicContact CG2-CE2 3.27Å; I612-F617 HydrophobicContact CG2-CZ 3.81Å; E614-F617 PolarHBondContact O-N 3.49Å; V615-F617 VanDerWaalsContact C-N 3.26Å; V615-F617 PolarHBondContact O-N 2.94Å; F617-K619 PolarHBondContact O-N 3.08Å
618	M	73.1	Confident	71.8	Confident	127 Å²	127	99.3 Å²	99.3	63%	0.626	53%	0.525	S	S	*	.			trans	-76.6	107.8	171.3	-65.6	-175.3	77.5	0	0	108.2	N581 E614 V615	N581-M618 WeakPolarHBondContact CB-O 3.33Å; N581-M618 PolarHBondContact ND2-O 2.9Å; E614-M618 PolarHBondContact O-N 3.26Å; V615-M618 HydrophobicContact CB-SD 4.48Å; V615-M618 HydrophobicContact CG1-SD 4.09Å; V615-M618 PolarHBondContact O-N 2.97Å
619	K	59.1	Low	73.2	Confident	225 Å²	225	101.5 Å²	101.5	98%	0.978	52%	0.516	S	S	*	.			trans	-84.7	0	-179.8	-76	-172.8	174	-174.8	0	112.2	F617	F617-K619 PolarHBondContact O-N 3.08Å

Retrieved 619 of 619 residues in 890.3 ms (Link to these results)

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