A0A087Y8I1_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

Catalyzes the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor. Has a broad spectrum of substrates for peptides such as EA2, Muc5AC, Muc1a, Muc1b. Probably involved in O-linked glycosylation of the immunoglobulin A1 (IgA1) hinge region. Involved in O-linked glycosylation of APOC-III, ANGPTL3 and PLTP. It participates in the regulation of HDL-C metabolism.

AlphaFold DB , UniProt , Accession A0A087Y8I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.4	Low	61.2	Low	225 Å²	225	154.5 Å²	154.5	100%	1.108	72%	0.72	S	S	*	*				0	-17.6	0	-83.2	179.9	-90.2	0	0	116	R3	M1-R3 PolarHBondContact O-N 3.45Å
2	R	53.1	Low	62.6	Low	234 Å²	234	146.3 Å²	146.3	88%	0.883	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-8.8	-177	-78.8	178.7	170.9	175.2	-3.4	117.6
3	R	50.6	Low	64.2	Low	227 Å²	227	141.1 Å²	141.1	86%	0.857	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-23.7	-177.4	-137.3	175.4	-177.7	-178.8	0	113.8	M1	M1-R3 PolarHBondContact O-N 3.45Å
4	K	51.5	Low	65.5	Low	176 Å²	176	139.4 Å²	139.4	77%	0.765	68%	0.676	S	S	*	*	H	α-helix	trans	-80.9	-28.6	178.6	-69.4	-170.4	176.5	-174.8	0	113.3	R6 L8	K4-R6 PolarHBondContact O-N 2.64Å; K4-L8 PolarHBondContact O-N 3.29Å
5	S	53.3	Low	66.1	Low	81 Å²	81	142.9 Å²	142.9	57%	0.566	68%	0.68	S	S	*	*	H	α-helix	trans	-71	-27.2	177	-63.9	0	0	0	0	114.4	L9	S5-L9 PolarHBondContact O-N 2.96Å
6	R	58.5	Low	67.3	Low	200 Å²	200	140.1 Å²	140.1	76%	0.755	67%	0.674	S	S	*	*	H	α-helix	trans	-73	-34	178.5	-70.8	-174.1	175.8	-178.6	-2.1	112.5	K4 L9 C10	K4-R6 PolarHBondContact O-N 2.64Å; R6-L9 PolarHBondContact O-N 3.23Å; R6-C10 PolarHBondContact O-N 3.38Å; R6-C10 PolarHBondContact O-SG 2.97Å; R6-C10 VanDerWaalsContact O-SG 3.32Å
7	V	68.1	Low	68.1	Low	83 Å²	83	138.2 Å²	138.2	50%	0.503	67%	0.667	S	S	.	*	H	α-helix	trans	-70.4	-42.4	177.7	179	0	0	0	0	110.9	L9 C10 F11	V7-L9 VanDerWaalsContact C-N 3.31Å; V7-L9 PolarHBondContact O-N 3.37Å; V7-C10 PolarHBondContact O-N 3.35Å; V7-F11 HydrophobicContact CG1-CD2 3.93Å; V7-F11 HydrophobicContact CG1-CE2 3.88Å; V7-F11 WeakPolarHBondContact O-CD2 3.42Å; V7-F11 PolarHBondContact O-N 2.97Å; V7-F11 VanDerWaalsContact O-N 3.09Å
8	L	65.8	Low	68.7	Low	129 Å²	129	132.8 Å²	132.8	68%	0.675	65%	0.654	S	S	*	*	H	α-helix	trans	-61.9	-37.3	174.9	-89.6	150.3	0	0	0	112.8	K4 F11 A12	K4-L8 PolarHBondContact O-N 3.29Å; L8-F11 PolarHBondContact O-N 3.41Å; L8-A12 PolarHBondContact O-N 3.05Å
9	L	71.9	Confident	69.1	Low	123 Å²	123	129.6 Å²	129.6	64%	0.644	64%	0.639	S	S	*	*	H	α-helix	trans	-66.5	-40.6	176.3	-146.5	93.7	0	0	0	111.9	S5 R6 V7 A12 V13	S5-L9 PolarHBondContact O-N 2.96Å; R6-L9 PolarHBondContact O-N 3.23Å; V7-L9 VanDerWaalsContact C-N 3.31Å; V7-L9 PolarHBondContact O-N 3.37Å; L9-A12 PolarHBondContact O-N 2.98Å; L9-V13 WeakPolarHBondContact O-CG2 3.41Å; L9-V13 PolarHBondContact O-N 2.82Å
10	C	71.4	Confident	69.3	Low	78 Å²	78	125.9 Å²	125.9	53%	0.527	63%	0.63	S	S	.	*	H	α-helix	trans	-64.5	-40.5	176.5	-68.7	0	0	0	0	112.3	R6 V7 V13 L14	R6-C10 PolarHBondContact O-N 3.38Å; R6-C10 PolarHBondContact O-SG 2.97Å; R6-C10 VanDerWaalsContact O-SG 3.32Å; V7-C10 PolarHBondContact O-N 3.35Å; C10-V13 PolarHBondContact O-N 3.16Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 2.86Å
11	F	75.6	Confident	69.7	Low	144 Å²	144	128 Å²	128	63%	0.632	63%	0.632	S	S	*	*	H	α-helix	trans	-64.8	-41.2	175	-88.4	-76.4	0	0	0	112.1	V7 L8 V13 L14 W15	V7-F11 HydrophobicContact CG1-CD2 3.93Å; V7-F11 HydrophobicContact CG1-CE2 3.88Å; V7-F11 WeakPolarHBondContact O-CD2 3.42Å; V7-F11 PolarHBondContact O-N 2.97Å; V7-F11 VanDerWaalsContact O-N 3.09Å; L8-F11 PolarHBondContact O-N 3.41Å; F11-V13 PolarHBondContact O-N 3.16Å; F11-L14 PolarHBondContact O-N 2.89Å; F11-W15 WeakPolarHBondContact O-CB 3.24Å; F11-W15 PolarHBondContact O-N 3.38Å
12	A	77.9	Confident	70.4	Confident	55 Å²	55	125.6 Å²	125.6	46%	0.455	61%	0.612	S	S	.	*	H	α-helix	trans	-62.8	-41.8	176.9	0	0	0	0	0	112.2	L8 L9 W15 V16	L8-A12 PolarHBondContact O-N 3.05Å; L9-A12 PolarHBondContact O-N 2.98Å; A12-W15 PolarHBondContact O-N 3.06Å; A12-V16 WeakPolarHBondContact O-CG2 3.38Å; A12-V16 PolarHBondContact O-N 2.81Å
13	V	83.5	Confident	70.8	Confident	79 Å²	79	121.3 Å²	121.3	48%	0.479	60%	0.6	S	S	.	*	H	α-helix	trans	-65.6	-43.2	177.7	173	0	0	0	0	111.5	L9 C10 F11 W15 V16 L17	L9-V13 WeakPolarHBondContact O-CG2 3.41Å; L9-V13 PolarHBondContact O-N 2.82Å; C10-V13 PolarHBondContact O-N 3.16Å; F11-V13 PolarHBondContact O-N 3.16Å; V13-W15 VanDerWaalsContact C-N 3.3Å; V13-W15 PolarHBondContact O-N 3.38Å; V13-V16 PolarHBondContact O-N 3.38Å; V13-L17 HydrophobicContact CG1-CD1 4Å; V13-L17 HydrophobicContact CG1-CG 4.49Å; V13-L17 WeakPolarHBondContact O-CB 3.49Å; V13-L17 WeakPolarHBondContact O-CG 3.33Å; V13-L17 PolarHBondContact O-N 3.3Å
14	L	81.9	Confident	71.3	Confident	118 Å²	118	119.3 Å²	119.3	62%	0.618	59%	0.594	S	S	*	*	H	α-helix	trans	-63.8	-36.5	176.4	-73.9	169.7	0	0	0	112.2	C10 F11 G18	C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 2.86Å; F11-L14 PolarHBondContact O-N 2.89Å; L14-G18 PolarHBondContact O-N 2.95Å
15	W	75.3	Confident	71.6	Confident	192 Å²	192	113.7 Å²	113.7	73%	0.727	58%	0.576	S	S	*	*	H	α-helix	trans	-68.9	-41.8	178.5	-145.4	74.1	0	0	0	112	F11 A12 V13 G18 I19	F11-W15 WeakPolarHBondContact O-CB 3.24Å; F11-W15 PolarHBondContact O-N 3.38Å; A12-W15 PolarHBondContact O-N 3.06Å; V13-W15 VanDerWaalsContact C-N 3.3Å; V13-W15 PolarHBondContact O-N 3.38Å; W15-G18 PolarHBondContact O-N 3.14Å; W15-I19 HydrophobicContact CD2-CD1 4.23Å; W15-I19 HydrophobicContact CE3-CD1 3.49Å; W15-I19 VanDerWaalsContact CE3-CD1 3.49Å; W15-I19 HydrophobicContact CH2-CD1 4.08Å; W15-I19 HydrophobicContact CZ3-CD1 3.41Å; W15-I19 VanDerWaalsContact CZ3-CD1 3.41Å; W15-I19 WeakPolarHBondContact O-CG1 3.47Å; W15-I19 PolarHBondContact O-N 3.32Å; W15-I19 VanDerWaalsContact O-N 3.08Å
16	V	84.3	Confident	71.1	Confident	97 Å²	97	112.9 Å²	112.9	59%	0.588	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-40.2	175.4	173.6	0	0	0	0	111.6	A12 V13 I19 A20	A12-V16 WeakPolarHBondContact O-CG2 3.38Å; A12-V16 PolarHBondContact O-N 2.81Å; V13-V16 PolarHBondContact O-N 3.38Å; V16-I19 PolarHBondContact O-N 3.37Å; V16-A20 WeakPolarHBondContact O-CB 3.03Å; V16-A20 PolarHBondContact O-N 3.47Å
17	L	80.9	Confident	70.3	Confident	108 Å²	108	108.6 Å²	108.6	57%	0.565	58%	0.577	S	S	*	*	H	α-helix	trans	-65.2	-37.7	175.2	-72.3	171.9	0	0	0	112.2	V13 A20 Y21	V13-L17 HydrophobicContact CG1-CD1 4Å; V13-L17 HydrophobicContact CG1-CG 4.49Å; V13-L17 WeakPolarHBondContact O-CB 3.49Å; V13-L17 WeakPolarHBondContact O-CG 3.33Å; V13-L17 PolarHBondContact O-N 3.3Å; L17-A20 PolarHBondContact O-N 3.49Å; L17-Y21 WeakPolarHBondContact O-CB 3.46Å; L17-Y21 PolarHBondContact O-N 2.78Å
18	G	78.9	Confident	68.8	Low	42 Å²	42	108.4 Å²	108.4	43%	0.433	58%	0.584	S	S	.	*	H	α-helix	trans	-63.3	-41.2	174.4	0	0	0	0	0	112.9	L14 W15 Y21 Y22	L14-G18 PolarHBondContact O-N 2.95Å; W15-G18 PolarHBondContact O-N 3.14Å; G18-Y21 PolarHBondContact O-N 2.79Å; G18-Y22 WeakPolarHBondContact O-CB 3.48Å; G18-Y22 PolarHBondContact O-N 3.25Å
19	I	77.4	Confident	67.2	Low	71 Å²	71	111.3 Å²	111.3	36%	0.364	60%	0.596	S	S	.	*	H	α-helix	trans	-65.8	-45.2	175.2	-69.1	171.4	0	0	0	110.8	W15 V16 Y21 Y22 F23	W15-I19 HydrophobicContact CD2-CD1 4.23Å; W15-I19 HydrophobicContact CE3-CD1 3.49Å; W15-I19 VanDerWaalsContact CE3-CD1 3.49Å; W15-I19 HydrophobicContact CH2-CD1 4.08Å; W15-I19 HydrophobicContact CZ3-CD1 3.41Å; W15-I19 VanDerWaalsContact CZ3-CD1 3.41Å; W15-I19 WeakPolarHBondContact O-CG1 3.47Å; W15-I19 PolarHBondContact O-N 3.32Å; W15-I19 VanDerWaalsContact O-N 3.08Å; V16-I19 PolarHBondContact O-N 3.37Å; I19-Y21 VanDerWaalsContact C-N 3.32Å; I19-Y21 PolarHBondContact O-N 3.44Å; I19-Y22 PolarHBondContact O-N 2.89Å; I19-F23 HydrophobicContact CG2-CD2 3.66Å; I19-F23 HydrophobicContact CG2-CE2 3.66Å; I19-F23 VanDerWaalsContact O-CD2 3.31Å; I19-F23 WeakPolarHBondContact O-CD2 3.25Å; I19-F23 PolarHBondContact O-N 3.44Å
20	A	73.6	Confident	65.5	Low	55 Å²	55	110.8 Å²	110.8	46%	0.455	60%	0.603	S	S	.	*	H	α-helix	trans	-61	-40.6	177.8	0	0	0	0	0	112.1	V16 L17 F23 Y24	V16-A20 WeakPolarHBondContact O-CB 3.03Å; V16-A20 PolarHBondContact O-N 3.47Å; L17-A20 PolarHBondContact O-N 3.49Å; A20-F23 PolarHBondContact O-N 2.89Å; A20-Y24 WeakPolarHBondContact O-CB 3.14Å; A20-Y24 PolarHBondContact O-N 3.34Å
21	Y	76.7	Confident	63.4	Low	170 Å²	170	118.3 Å²	118.3	67%	0.667	62%	0.62	S	S	*	*	H	α-helix	trans	-64.7	-42.2	174.7	-178.5	-98	0	0	0	112.1	L17 G18 I19 F23 Y24 S25	L17-Y21 WeakPolarHBondContact O-CB 3.46Å; L17-Y21 PolarHBondContact O-N 2.78Å; G18-Y21 PolarHBondContact O-N 2.79Å; I19-Y21 VanDerWaalsContact C-N 3.32Å; I19-Y21 PolarHBondContact O-N 3.44Å; Y21-F23 PolarHBondContact O-N 3.32Å; Y21-Y24 PolarHBondContact O-N 3.43Å; Y21-S25 WeakPolarHBondContact O-CB 3.44Å; Y21-S25 PolarHBondContact O-N 3.38Å; Y21-S25 PolarHBondContact O-OG 3.1Å
22	Y	68.1	Low	61.2	Low	176 Å²	176	120.1 Å²	120.1	69%	0.69	63%	0.628	S	S	*	*	H	α-helix	trans	-61.7	-42.3	176.9	-172.7	-97.2	0	0	0	112.2	G18 I19 S25 G26	G18-Y22 WeakPolarHBondContact O-CB 3.48Å; G18-Y22 PolarHBondContact O-N 3.25Å; I19-Y22 PolarHBondContact O-N 2.89Å; Y22-S25 PolarHBondContact O-OG 3.03Å; Y22-G26 PolarHBondContact O-N 2.96Å
23	F	62.8	Low	58.8	Low	143 Å²	143	125.7 Å²	125.7	63%	0.627	65%	0.65	S	S	*	*	H	α-helix	trans	-68	-40.3	174.3	-83.1	-74.4	0	0	0	112.8	I19 A20 Y21 G26 T27	I19-F23 HydrophobicContact CG2-CD2 3.66Å; I19-F23 HydrophobicContact CG2-CE2 3.66Å; I19-F23 VanDerWaalsContact O-CD2 3.31Å; I19-F23 WeakPolarHBondContact O-CD2 3.25Å; I19-F23 PolarHBondContact O-N 3.44Å; A20-F23 PolarHBondContact O-N 2.89Å; Y21-F23 PolarHBondContact O-N 3.32Å; F23-G26 PolarHBondContact O-N 3.16Å; F23-T27 PolarHBondContact O-N 3.45Å; F23-T27 PolarHBondContact O-OG1 2.55Å; F23-T27 VanDerWaalsContact O-OG1 3.14Å
24	Y	59.2	Low	56.1	Low	186 Å²	186	130.2 Å²	130.2	73%	0.729	67%	0.666	S	S	*	*	H	α-helix	trans	-67.7	-40.6	179.9	-167.5	-97.8	0	0	0	112.7	A20 Y21 T27	A20-Y24 WeakPolarHBondContact O-CB 3.14Å; A20-Y24 PolarHBondContact O-N 3.34Å; Y21-Y24 PolarHBondContact O-N 3.43Å; Y24-T27 PolarHBondContact O-N 3.16Å; Y24-T27 PolarHBondContact O-OG1 3.5Å
25	S	58.3	Low	53.4	Low	57 Å²	57	136.2 Å²	136.2	40%	0.399	68%	0.68	S	S	.	*	H	α-helix	trans	-72.9	-31.4	175.6	53.4	0	0	0	0	113.2	Y21 Y22 T27 A28	Y21-S25 WeakPolarHBondContact O-CB 3.44Å; Y21-S25 PolarHBondContact O-N 3.38Å; Y21-S25 PolarHBondContact O-OG 3.1Å; Y22-S25 PolarHBondContact O-OG 3.03Å; S25-T27 VanDerWaalsContact C-N 3.25Å; S25-T27 PolarHBondContact O-N 3.38Å; S25-A28 PolarHBondContact O-N 2.86Å
26	G	42.4	Very low	51	Low	64 Å²	64	130.4 Å²	130.4	66%	0.66	68%	0.68	S	S	*	*	H	α-helix	trans	-68.7	-19.3	174.1	0	0	0	0	0	114.3	Y22 F23	Y22-G26 PolarHBondContact O-N 2.96Å; F23-G26 PolarHBondContact O-N 3.16Å
27	T	41.7	Very low	48.2	Very low	111 Å²	111	130.7 Å²	130.7	68%	0.681	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-1.7	179.1	44.7	0	0	0	0	115.4	F23 Y24 S25	F23-T27 PolarHBondContact O-N 3.45Å; F23-T27 PolarHBondContact O-OG1 2.55Å; F23-T27 VanDerWaalsContact O-OG1 3.14Å; Y24-T27 PolarHBondContact O-N 3.16Å; Y24-T27 PolarHBondContact O-OG1 3.5Å; S25-T27 VanDerWaalsContact C-N 3.25Å; S25-T27 PolarHBondContact O-N 3.38Å
28	A	37	Very low	45.5	Very low	78 Å²	78	129.7 Å²	129.7	65%	0.645	69%	0.689	S	S	*	*	S	Bend	trans	-98.8	6.1	-171.4	0	0	0	0	0	116.2	S25	S25-A28 PolarHBondContact O-N 2.86Å
29	M	33.3	Very low	42.8	Very low	191 Å²	191	137.9 Å²	137.9	94%	0.941	71%	0.708	S	S	*	*	S	Bend	trans	-125.2	60.4	174.3	-87.7	-179.6	64.6	0	0	112.2
30	S	34.9	Very low	40.3	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	72%	0.724	S	S	*	*			trans	-155.3	93.9	159.7	-165.3	0	0	0	0	110.8
31	R	28.4	Very low	38.1	Very low	236 Å²	236	142.5 Å²	142.5	89%	0.891	74%	0.743	S	S	*	*			trans	-174.5	101.8	157.9	-106.1	169.4	-177.6	-179.1	0	106.4
32	K	29.6	Very low	35.6	Very low	183 Å²	183	139.7 Å²	139.7	80%	0.796	75%	0.748	S	S	*	*				46.3	100.2	91.4	-94.3	-168.3	172.2	-170.2	0	112.6
33	D	26.6	Very low	33.9	Very low	171 Å²	171	143.5 Å²	143.5	91%	0.914	76%	0.762	S	S	*	*			trans	-116	102.1	155	-77.9	-32.4	0	0	0	108.5
34	E	26.6	Very low	32.1	Very low	175 Å²	175	140.1 Å²	140.1	82%	0.818	77%	0.767	S	S	*	*			trans	-88.7	122.7	152.7	-86.5	175.9	135.7	0	0	106.8
35	W	25.1	Very low	30.9	Very low	243 Å²	243	141.8 Å²	141.8	92%	0.92	78%	0.778	S	S	*	*			trans	-138.4	107.6	155.9	-158	-56.8	0	0	0	108.9
36	G	24.5	Very low	29.5	Very low	71 Å²	71	144.5 Å²	144.5	73%	0.732	80%	0.797	S	S	*	*			trans	-100.2	138.9	160.1	0	0	0	0	0	109.6
37	S	25.5	Very low	29.1	Very low	102 Å²	102	151.1 Å²	151.1	71%	0.713	81%	0.81	S	S	*	*			trans	-165	123.5	136.2	-167.6	0	0	0	0	111.9
38	S	24	Very low	28.4	Very low	87 Å²	87	149.1 Å²	149.1	61%	0.608	81%	0.812	S	S	*	*			trans	24.8	133.7	152.8	75.3	0	0	0	0	121.3
39	Y	24.1	Very low	28	Very low	215 Å²	215	153 Å²	153	84%	0.843	82%	0.822	S	S	*	*				-168.5	140.4	103.7	-116.3	-92	0	0	0	113.2
40	S	24.6	Very low	27.9	Very low	100 Å²	100	153.4 Å²	153.4	70%	0.699	82%	0.821	S	S	*	*			trans	56	113	154	63.5	0	0	0	0	122.7
41	S	26.9	Very low	27.8	Very low	122 Å²	122	157.8 Å²	157.8	85%	0.853	83%	0.826	S	S	*	*			trans	-33.6	123.5	141.4	168	0	0	0	0	114.4
42	S	24.6	Very low	28	Very low	111 Å²	111	150.6 Å²	150.6	78%	0.776	82%	0.817	S	S	*	*			trans	-149.9	126.8	142.5	55.2	0	0	0	0	110.8	G44	S42-G44 PolarHBondContact O-N 3.42Å
43	R	31.3	Very low	28.4	Very low	257 Å²	257	150.6 Å²	150.6	97%	0.97	82%	0.82	S	S	*	*			trans	-63.1	121.5	171.1	-97.4	170.9	164.1	166.5	-4.7	109.4
44	G	26.2	Very low	28.9	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	81%	0.813	S	S	*	*			trans	-139.3	111.9	166.3	0	0	0	0	0	110.1	S42	S42-G44 PolarHBondContact O-N 3.42Å
45	K	33.9	Very low	30.1	Very low	220 Å²	220	146.9 Å²	146.9	96%	0.957	81%	0.809	S	S	*	*			trans	-68.5	130.7	166.4	-79.9	176	172.1	178.8	0	108.6
46	S	27.2	Very low	31.9	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	80%	0.798	S	S	*	*			trans	-145.2	114.4	156.4	61.8	0	0	0	0	110.4
47	H	34.7	Very low	34.4	Very low	203 Å²	203	142.7 Å²	142.7	94%	0.94	80%	0.801	S	S	*	*			trans	-60.6	142.9	160.3	-87.1	-51.4	0	0	0	110.3
48	G	27.2	Very low	37.2	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	78%	0.782	S	S	*	*			trans	169.5	88.6	168.1	0	0	0	0	0	114.1
49	D	28.9	Very low	40.1	Very low	159 Å²	159	140.3 Å²	140.3	85%	0.85	78%	0.778	S	S	*	*			trans	50.8	80.5	147.5	-62.7	-15.8	0	0	0	120.2	K51	D49-K51 PolarHBondContact O-N 3.17Å
50	E	31.1	Very low	42.9	Very low	199 Å²	199	136.6 Å²	136.6	93%	0.93	78%	0.78	S	S	*	*			trans	-70.8	102.9	145.2	-82.5	-176.6	156.2	0	0	108.7	A52	E50-A52 VanDerWaalsContact C-N 3.27Å; E50-A52 PolarHBondContact O-N 3.17Å
51	K	32.7	Very low	45.8	Very low	203 Å²	203	135 Å²	135	88%	0.883	78%	0.779	S	S	*	*			trans	-62.1	96.7	159.3	-83.1	-177.8	177.1	176.2	0	107.8	D49 H53	D49-K51 PolarHBondContact O-N 3.17Å; K51-H53 PolarHBondContact O-N 2.74Å
52	A	32	Very low	49	Very low	85 Å²	85	131.9 Å²	131.9	70%	0.702	75%	0.75	S	S	*	*			trans	-50.9	113.1	167.1	0	0	0	0	0	108.8	E50 T54	E50-A52 VanDerWaalsContact C-N 3.27Å; E50-A52 PolarHBondContact O-N 3.17Å; A52-T54 VanDerWaalsContact C-N 3.32Å; A52-T54 PolarHBondContact O-N 3.27Å
53	H	37.7	Very low	52.5	Low	184 Å²	184	128.9 Å²	128.9	85%	0.852	73%	0.728	S	S	*	*			trans	-59.1	104.3	156.8	-88.2	-58.6	0	0	0	106.2	K51 I55	K51-H53 PolarHBondContact O-N 2.74Å; H53-I55 PolarHBondContact O-N 3.38Å
54	T	38.2	Very low	55.6	Low	123 Å²	123	121.3 Å²	121.3	76%	0.755	70%	0.699	S	S	*	*			trans	-53.9	105.3	165.1	30.4	0	0	0	0	107.3	A52 D56	A52-T54 VanDerWaalsContact C-N 3.32Å; A52-T54 PolarHBondContact O-N 3.27Å; T54-D56 VanDerWaalsContact C-N 3.29Å; T54-D56 PolarHBondContact O-N 3.07Å
55	I	52.3	Low	59	Low	144 Å²	144	119.4 Å²	119.4	74%	0.738	67%	0.669	S	S	*	*			trans	-64.5	98.4	166.7	-60.6	172.6	0	0	0	104.3	H53 A57	H53-I55 PolarHBondContact O-N 3.38Å; I55-A57 PolarHBondContact O-N 2.85Å
56	D	63.2	Low	62	Low	130 Å²	130	114.1 Å²	114.1	70%	0.695	65%	0.648	S	S	*	*			trans	-52.6	112.3	169.7	-84	-25.1	0	0	0	107.3	T54 L58	T54-D56 VanDerWaalsContact C-N 3.29Å; T54-D56 PolarHBondContact O-N 3.07Å; D56-L58 PolarHBondContact O-N 3.2Å
57	A	76.1	Confident	65.4	Low	97 Å²	97	114.4 Å²	114.4	80%	0.802	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-60.9	122.4	179.4	0	0	0	0	0	108.1	I55	I55-A57 PolarHBondContact O-N 2.85Å
58	L	83.9	Confident	68.4	Low	58 Å²	58	105.9 Å²	105.9	30%	0.304	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-62.7	149.8	176.6	-72.5	178.6	0	0	0	110.2	D56 K62 V63 R64 E178	D56-L58 PolarHBondContact O-N 3.2Å; L58-K62 HydrophobicContact CB-CB 4.09Å; L58-K62 HydrophobicContact CD1-CB 4.42Å; L58-V63 VanDerWaalsContact CD1-C 3.46Å; L58-R64 HydrophobicContact CD1-CG 3.86Å; L58-R64 VanDerWaalsContact CD1-N 3.34Å; L58-E178 HydrophobicContact CD1-CB 4.5Å; L58-E178 HydrophobicContact CD2-CB 3.79Å
59	P	84.4	Confident	71.8	Confident	80 Å²	80	106.9 Å²	106.9	52%	0.519	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-54	148.7	172.2	-24	32.8	0	0	0	111.7	G61 K62	P59-G61 PolarHBondContact O-N 2.9Å; P59-K62 HydrophobicContact CB-CG 3.95Å; P59-K62 HydrophobicContact CG-CG 4.25Å; P59-K62 VanDerWaalsContact O-CB 3.26Å; P59-K62 WeakPolarHBondContact O-CB 3.39Å; P59-K62 PolarHBondContact O-N 3.3Å
60	P	83.1	Confident	75	Confident	137 Å²	137	100 Å²	100	89%	0.89	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	132.3	178.9	-26.9	34.3	0	0	0	112.4	K62	P60-K62 VanDerWaalsContact C-N 3.3Å; P60-K62 PolarHBondContact O-N 3.2Å
61	G	86.3	Confident	78.2	Confident	67 Å²	67	96.2 Å²	96.2	69%	0.691	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	1.1	-179.5	0	0	0	0	0	115.5	P59	P59-G61 PolarHBondContact O-N 2.9Å
62	K	95.1	Very high	81.3	Confident	56 Å²	56	92.8 Å²	92.8	24%	0.243	53%	0.529	C	S	.	.			trans	-91.3	149.7	172.7	-65.2	-65.1	-160.7	163.4	0	112.4	L58 P59 P60 G175 K176 I177 V180	L58-K62 HydrophobicContact CB-CB 4.09Å; L58-K62 HydrophobicContact CD1-CB 4.42Å; P59-K62 HydrophobicContact CB-CG 3.95Å; P59-K62 HydrophobicContact CG-CG 4.25Å; P59-K62 VanDerWaalsContact O-CB 3.26Å; P59-K62 WeakPolarHBondContact O-CB 3.39Å; P59-K62 PolarHBondContact O-N 3.3Å; P60-K62 VanDerWaalsContact C-N 3.3Å; P60-K62 PolarHBondContact O-N 3.2Å; K62-G175 PolarHBondContact NZ-O 3.33Å; K62-K176 CarbonylContact C-O 3.45Å; K62-K176 WeakPolarHBondContact CA-O 3.42Å; K62-K176 WeakPolarHBondContact CD-O 3.28Å; K62-I177 PolarHBondContact NZ-O 3.39Å; K62-V180 PolarHBondContact NZ-O 2.99Å
63	V	96.9	Very high	84.4	Confident	49 Å²	49	89 Å²	89	30%	0.297	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-122.1	148.2	174.2	-59.6	0	0	0	0	110.5	L58 F68 K176 E178	L58-V63 VanDerWaalsContact CD1-C 3.46Å; V63-F68 HydrophobicContact CG2-CB 4.41Å; V63-F68 HydrophobicContact CG2-CD2 4.19Å; V63-K176 PolarHBondContact N-O 2.75Å; V63-E178 PolarHBondContact O-N 3.45Å
64	R	97.1	Very high	87.3	Confident	98 Å²	98	80.5 Å²	80.5	37%	0.37	46%	0.458	S	S	.	.			trans	-63.3	150.4	164.4	-71.4	-66.5	-153.6	-173.1	5	108.6	L58 Q66 D67 E178	L58-R64 HydrophobicContact CD1-CG 3.86Å; L58-R64 VanDerWaalsContact CD1-N 3.34Å; R64-Q66 PolarHBondContact O-N 3.04Å; R64-D67 PolarHBondContact O-N 3.32Å; R64-D67 VanDerWaalsContact O-N 3.07Å; R64-E178 VanDerWaalsContact CD-OE1 3.27Å; R64-E178 WeakPolarHBondContact CD-OE1 3.49Å; R64-E178 WeakPolarHBondContact CD-OE2 3.38Å; R64-E178 IonicContact CZ-OE2 2.8Å; R64-E178 IonicContact NE-OE2 2.72Å; R64-E178 IonicContact NH1-OE2 3.44Å; R64-E178 PolarHBondContact NH1-OE2 2.8Å
65	W	97.3	Very high	90.1	Very high	32 Å²	32	76.4 Å²	76.4	12%	0.121	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-64.1	-29.4	-175.3	73.2	-101.7	0	0	0	113	D67 F68 M101 D102 I144 L147 K148 I177 E178	W65-D67 PolarHBondContact O-N 3.21Å; W65-F68 WeakPolarHBondContact O-CB 3.36Å; W65-F68 PolarHBondContact O-N 2.8Å; W65-M101 HydrophobicContact CE3-CE 4.34Å; W65-M101 WeakPolarHBondContact O-CE 3.23Å; W65-D102 HydrophobicContact CH2-CB 4.15Å; W65-D102 HydrophobicContact CZ3-CB 3.77Å; W65-I144 HydrophobicContact CB-CD1 3.59Å; W65-I144 HydrophobicContact CD2-CD1 4.4Å; W65-I144 HydrophobicContact CD2-CG2 4.25Å; W65-I144 HydrophobicContact CE3-CD1 4.14Å; W65-I144 HydrophobicContact CE3-CG2 3.68Å; W65-I144 HydrophobicContact CG-CD1 4.24Å; W65-I144 HydrophobicContact CZ3-CG2 3.95Å; W65-L147 HydrophobicContact CB-CD1 3.87Å; W65-L147 HydrophobicContact CG-CB 4.43Å; W65-L147 HydrophobicContact CG-CD1 4.33Å; W65-K148 HydrophobicContact CH2-CD 4.04Å; W65-K148 HydrophobicContact CH2-CG 4.47Å; W65-K148 HydrophobicContact CZ2-CB 4.25Å; W65-K148 HydrophobicContact CZ2-CD 4.33Å; W65-K148 HydrophobicContact CZ2-CG 4.26Å; W65-I177 HydrophobicContact CB-CG2 4.01Å; W65-E178 VanDerWaalsContact CD1-OE1 3.32Å; W65-E178 PolarHBondContact N-OE1 2.9Å
66	Q	97.5	Very high	92	Very high	108 Å²	108	73.1 Å²	73.1	51%	0.505	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-64.4	-29	175.7	-62.7	87.7	-18.3	0	0	112.8	R64 F68	R64-Q66 PolarHBondContact O-N 3.04Å; Q66-F68 VanDerWaalsContact C-N 3.34Å
67	D	97.5	Very high	93.6	Very high	121 Å²	121	68 Å²	68	65%	0.647	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-90.2	-2.1	-178.1	-56.3	-39.7	0	0	0	112.3	R64 W65 N69	R64-D67 PolarHBondContact O-N 3.32Å; R64-D67 VanDerWaalsContact O-N 3.07Å; W65-D67 PolarHBondContact O-N 3.21Å; D67-N69 PolarHBondContact O-N 2.8Å
68	F	98.1	Very high	94.5	Very high	23 Å²	23	67.8 Å²	67.8	10%	0.101	39%	0.393	C	S	.	.	S	Bend	trans	-73.7	122.8	179	-171.9	-94.7	0	0	0	110.9	V63 W65 Q66 Q70 Y73 M101 L140 L174 I177	V63-F68 HydrophobicContact CG2-CB 4.41Å; V63-F68 HydrophobicContact CG2-CD2 4.19Å; W65-F68 WeakPolarHBondContact O-CB 3.36Å; W65-F68 PolarHBondContact O-N 2.8Å; Q66-F68 VanDerWaalsContact C-N 3.34Å; F68-Q70 PolarHBondContact O-N 3.15Å; F68-Y73 HydrophobicContact CE1-CD1 4.07Å; F68-Y73 AromaticContact CE1-CG 3.85Å; F68-Y73 HydrophobicContact CE1-CG 3.85Å; F68-Y73 HydrophobicContact CZ-CD1 4.42Å; F68-Y73 HydrophobicContact CZ-CD2 4.11Å; F68-Y73 AromaticContact CZ-CG 3.89Å; F68-Y73 HydrophobicContact CZ-CG 3.89Å; F68-M101 HydrophobicContact CD1-SD 4.48Å; F68-L140 HydrophobicContact CD1-CD1 3.78Å; F68-L140 HydrophobicContact CD1-CD2 4.12Å; F68-L140 HydrophobicContact CE1-CD1 3.77Å; F68-L140 HydrophobicContact CE1-CD2 3.97Å; F68-L174 HydrophobicContact CE1-CD2 4.05Å; F68-L174 HydrophobicContact CE2-CD2 4.41Å; F68-L174 HydrophobicContact CZ-CD2 3.73Å; F68-I177 HydrophobicContact CB-CD1 4.45Å; F68-I177 HydrophobicContact CB-CG1 4.27Å; F68-I177 HydrophobicContact CD1-CD1 4.23Å; F68-I177 HydrophobicContact CD2-CD1 3.78Å; F68-I177 HydrophobicContact CD2-CG1 3.43Å; F68-I177 VanDerWaalsContact CD2-CG1 3.43Å; F68-I177 HydrophobicContact CE1-CD1 4.45Å; F68-I177 HydrophobicContact CE2-CD1 4.02Å; F68-I177 HydrophobicContact CE2-CG1 3.89Å; F68-I177 HydrophobicContact CG-CD1 3.88Å; F68-I177 HydrophobicContact CG-CG1 3.89Å; F68-I177 HydrophobicContact CZ-CD1 4.36Å
69	N	97.9	Very high	95.1	Very high	91 Å²	91	66.5 Å²	66.5	49%	0.487	39%	0.388	S	S	.	.			trans	-78	88.9	-178.5	-169.9	-27.1	0	0	0	111.6	D67 N71 L72 Y73	D67-N69 PolarHBondContact O-N 2.8Å; N69-N71 VanDerWaalsContact C-N 3.31Å; N69-N71 PolarHBondContact O-N 3.27Å; N69-N71 PolarHBondContact OD1-N 3.18Å; N69-L72 HydrophobicContact CB-CB 4.14Å; N69-L72 PolarHBondContact O-N 3.36Å; N69-L72 PolarHBondContact OD1-N 2.72Å; N69-Y73 PolarHBondContact O-N 3.35Å; N69-Y73 VanDerWaalsContact O-N 3.16Å
70	Q	97.9	Very high	95.6	Very high	14 Å²	14	71.4 Å²	71.4	7%	0.065	40%	0.396	C	S	.	.	H	α-helix	trans	-54.7	-44.4	175.9	173.6	179.9	-16.5	0	0	112.4	F68 L72 Y73 V74 L99 M101 L140	F68-Q70 PolarHBondContact O-N 3.15Å; Q70-L72 VanDerWaalsContact C-N 3.31Å; Q70-L72 PolarHBondContact O-N 3.24Å; Q70-Y73 PolarHBondContact O-N 3.21Å; Q70-Y73 VanDerWaalsContact O-N 3.16Å; Q70-V74 HydrophobicContact CG-CG2 3.89Å; Q70-V74 WeakPolarHBondContact O-CB 3.48Å; Q70-V74 WeakPolarHBondContact O-CG2 3.41Å; Q70-V74 PolarHBondContact O-N 3.04Å; Q70-L99 PolarHBondContact NE2-O 2.81Å; Q70-M101 HydrophobicContact CB-SD 4.12Å; Q70-M101 VanDerWaalsContact OE1-CG 3.32Å; Q70-L140 HydrophobicContact CB-CD2 3.98Å; Q70-L140 HydrophobicContact CG-CD2 3.85Å
71	N	97.5	Very high	96.1	Very high	120 Å²	120	71.4 Å²	71.4	64%	0.642	40%	0.396	S	S	*	.	H	α-helix	trans	-62.3	-40.5	-174.7	-69	-25	0	0	0	111.4	N69 G75	N69-N71 VanDerWaalsContact C-N 3.31Å; N69-N71 PolarHBondContact O-N 3.27Å; N69-N71 PolarHBondContact OD1-N 3.18Å; N71-G75 VanDerWaalsContact O-CA 3.24Å; N71-G75 WeakPolarHBondContact O-CA 3.41Å; N71-G75 PolarHBondContact O-N 3.08Å
72	L	97.5	Very high	96.5	Very high	132 Å²	132	72.5 Å²	72.5	69%	0.691	41%	0.407	S	S	*	.	H	α-helix	trans	-66.8	-43.2	175.2	-177.6	64.1	0	0	0	111.6	N69 Q70	N69-L72 HydrophobicContact CB-CB 4.14Å; N69-L72 PolarHBondContact O-N 3.36Å; N69-L72 PolarHBondContact OD1-N 2.72Å; Q70-L72 VanDerWaalsContact C-N 3.31Å; Q70-L72 PolarHBondContact O-N 3.24Å
73	Y	98.2	Very high	96.5	Very high	5 Å²	5	75 Å²	75	2%	0.02	42%	0.42	C	S	.	.	H	α-helix	trans	-67	-51.5	-178.8	176	-110.2	0	0	0	112.3	F68 N69 Q70 R136 L140 D170 L173 L174	F68-Y73 HydrophobicContact CE1-CD1 4.07Å; F68-Y73 AromaticContact CE1-CG 3.85Å; F68-Y73 HydrophobicContact CE1-CG 3.85Å; F68-Y73 HydrophobicContact CZ-CD1 4.42Å; F68-Y73 HydrophobicContact CZ-CD2 4.11Å; F68-Y73 AromaticContact CZ-CG 3.89Å; F68-Y73 HydrophobicContact CZ-CG 3.89Å; N69-Y73 PolarHBondContact O-N 3.35Å; N69-Y73 VanDerWaalsContact O-N 3.16Å; Q70-Y73 PolarHBondContact O-N 3.21Å; Q70-Y73 VanDerWaalsContact O-N 3.16Å; Y73-R136 HydrophobicContact CD1-CB 3.99Å; Y73-R136 HydrophobicContact CE1-CB 3.43Å; Y73-R136 VanDerWaalsContact CE1-CB 3.43Å; Y73-R136 HydrophobicContact CE1-CG 3.85Å; Y73-R136 WeakPolarHBondContact CE1-O 3.27Å; Y73-R136 HydrophobicContact CE2-CG 4.18Å; Y73-R136 WeakPolarHBondContact O-CD 3.45Å; Y73-R136 PolarHBondContact O-NH1 3.19Å; Y73-L140 HydrophobicContact CD1-CB 4.28Å; Y73-L140 HydrophobicContact CD1-CD2 4Å; Y73-L140 HydrophobicContact CE1-CB 3.93Å; Y73-L140 HydrophobicContact CE1-CD2 4.49Å; Y73-D170 PolarHBondContact OH-O 3.48Å; Y73-L173 HydrophobicContact CD2-CB 3.9Å; Y73-L173 HydrophobicContact CD2-CD1 3.84Å; Y73-L173 HydrophobicContact CE2-CB 4Å; Y73-L173 HydrophobicContact CE2-CD1 4.26Å; Y73-L174 HydrophobicContact CD1-CD2 4.3Å; Y73-L174 HydrophobicContact CD2-CD2 4.49Å; Y73-L174 HydrophobicContact CE1-CD2 3.8Å; Y73-L174 HydrophobicContact CE1-CG 4.36Å; Y73-L174 HydrophobicContact CE2-CD2 4.04Å; Y73-L174 HydrophobicContact CE2-CG 4.1Å; Y73-L174 WeakPolarHBondContact OH-CD1 3.25Å
74	V	97.9	Very high	96.4	Very high	5 Å²	5	77.2 Å²	77.2	3%	0.03	43%	0.43	C	S	.	.	H	α-helix	trans	-75.6	-35.8	-178.4	178.8	0	0	0	0	111.7	Q70 A76 T77 L78 D97 R136	Q70-V74 HydrophobicContact CG-CG2 3.89Å; Q70-V74 WeakPolarHBondContact O-CB 3.48Å; Q70-V74 WeakPolarHBondContact O-CG2 3.41Å; Q70-V74 PolarHBondContact O-N 3.04Å; V74-A76 PolarHBondContact O-N 3.19Å; V74-T77 PolarHBondContact O-N 2.99Å; V74-T77 PolarHBondContact O-OG1 3.36Å; V74-L78 HydrophobicContact CG1-CD2 4.05Å; V74-D97 HydrophobicContact CG1-CB 4.01Å; V74-R136 HydrophobicContact CG2-CB 4.37Å
75	G	96.1	Very high	96.4	Very high	38 Å²	38	74.1 Å²	74.1	39%	0.392	42%	0.423	S	S	.	.	H	α-helix	trans	-56	-28	-177.2	0	0	0	0	0	114.4	N71 T77	N71-G75 VanDerWaalsContact O-CA 3.24Å; N71-G75 WeakPolarHBondContact O-CA 3.41Å; N71-G75 PolarHBondContact O-N 3.08Å; G75-T77 VanDerWaalsContact C-N 3.26Å; G75-T77 PolarHBondContact O-N 2.96Å
76	A	93.9	Very high	96.3	Very high	75 Å²	75	75.7 Å²	75.7	62%	0.62	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.1	178.4	0	0	0	0	0	114.4	V74	V74-A76 PolarHBondContact O-N 3.19Å
77	T	95.6	Very high	96.1	Very high	21 Å²	21	73 Å²	73	13%	0.129	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	19.2	-173.3	60.8	0	0	0	0	114	V74 G75 Q93 R136	V74-T77 PolarHBondContact O-N 2.99Å; V74-T77 PolarHBondContact O-OG1 3.36Å; G75-T77 VanDerWaalsContact C-N 3.26Å; G75-T77 PolarHBondContact O-N 2.96Å; T77-Q93 PolarHBondContact O-NE2 3.09Å; T77-R136 HydrophobicContact CG2-CG 4.29Å; T77-R136 WeakPolarHBondContact OG1-CD 3.39Å
78	L	95.9	Very high	95.8	Very high	94 Å²	94	71.3 Å²	71.3	49%	0.492	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-58.9	144.9	178.3	-67.3	173.9	0	0	0	111.6	V74 R80 D97	V74-L78 HydrophobicContact CG1-CD2 4.05Å; L78-R80 PolarHBondContact O-N 3.34Å; L78-D97 HydrophobicContact CD2-CB 3.87Å
79	V	95.8	Very high	95.5	Very high	31 Å²	31	70.3 Å²	70.3	19%	0.188	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-64.8	125.4	170.4	-176.6	0	0	0	0	108.8	Q83 P85 Q93 V94	V79-Q83 HydrophobicContact CG1-CB 3.92Å; V79-P85 HydrophobicContact CG1-CB 4.47Å; V79-Q93 HydrophobicContact CG2-CB 3.78Å; V79-Q93 HydrophobicContact CG2-CG 4.07Å; V79-V94 HydrophobicContact CB-CG2 3.7Å; V79-V94 HydrophobicContact CG1-CG2 4.1Å; V79-V94 HydrophobicContact CG2-CG2 3.94Å
80	R	95.1	Very high	95.4	Very high	182 Å²	182	68.8 Å²	68.8	69%	0.687	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-75.8	150.7	-179.7	-59.4	-178.8	-178.8	179.6	0.4	110.7	L78 G82 Q83	L78-R80 PolarHBondContact O-N 3.34Å; R80-G82 PolarHBondContact O-N 3.2Å; R80-Q83 HydrophobicContact CB-CG 4.16Å; R80-Q83 WeakPolarHBondContact O-CB 3.36Å; R80-Q83 PolarHBondContact O-N 3Å
81	P	93.8	Very high	95.4	Very high	137 Å²	137	68.1 Å²	68.1	89%	0.89	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	130.5	173.9	-26.8	34.9	0	0	0	111.9
82	G	93.2	Very high	95.4	Very high	91 Å²	91	63.3 Å²	63.3	94%	0.938	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-5	-178.8	0	0	0	0	0	115.8	R80	R80-G82 PolarHBondContact O-N 3.2Å
83	Q	95.6	Very high	95.5	Very high	109 Å²	109	57.3 Å²	57.3	51%	0.509	33%	0.334	S	S	.	.	S	Bend	trans	-86.6	150.3	171.8	-65.1	-174.4	-39.2	0	0	111.7	V79 R80 P85	V79-Q83 HydrophobicContact CG1-CB 3.92Å; R80-Q83 HydrophobicContact CB-CG 4.16Å; R80-Q83 WeakPolarHBondContact O-CB 3.36Å; R80-Q83 PolarHBondContact O-N 3Å; Q83-P85 WeakPolarHBondContact O-CD 3.18Å
84	D	95.9	Very high	95.5	Very high	94 Å²	94	59.7 Å²	59.7	50%	0.503	35%	0.349	S	S	.	.			trans	-68.2	117.7	175	170.7	18.5	0	0	0	110.8	Y86 A87	D84-Y86 PolarHBondContact O-N 3.41Å; D84-Y86 WeakPolarHBondContact OD1-CB 3.26Å; D84-Y86 PolarHBondContact OD1-N 2.94Å; D84-A87 HydrophobicContact CB-CB 4.12Å; D84-A87 PolarHBondContact O-N 3.47Å; D84-A87 PolarHBondContact OD2-N 2.89Å
85	P	96.5	Very high	95.5	Very high	34 Å²	34	62.1 Å²	62.1	22%	0.221	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.6	-178.7	29.7	-35.3	0	0	0	114.2	V79 Q83 F91 Q93 V94	V79-P85 HydrophobicContact CG1-CB 4.47Å; Q83-P85 WeakPolarHBondContact O-CD 3.18Å; P85-F91 VanDerWaalsContact O-O 3.13Å; P85-Q93 PolarHBondContact O-N 3.23Å; P85-V94 HydrophobicContact CB-CB 4.16Å; P85-V94 HydrophobicContact CB-CG2 3.73Å
86	Y	95.6	Very high	95.6	Very high	64 Å²	64	60.3 Å²	60.3	25%	0.251	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-13.3	178.4	-64.9	-95.8	0	0	0	113.4	D84 R88 N89 K90 F91 N92 M245 D246	D84-Y86 PolarHBondContact O-N 3.41Å; D84-Y86 WeakPolarHBondContact OD1-CB 3.26Å; D84-Y86 PolarHBondContact OD1-N 2.94Å; Y86-R88 PolarHBondContact O-N 3.47Å; Y86-N89 PolarHBondContact O-N 3.4Å; Y86-K90 WeakPolarHBondContact O-CA 3.38Å; Y86-K90 PolarHBondContact O-N 2.98Å; Y86-F91 VanDerWaalsContact CD1-C 3.47Å; Y86-N92 HydrophobicContact CD1-CB 4.49Å; Y86-N92 HydrophobicContact CE1-CB 3.83Å; Y86-N92 HydrophobicContact CE2-CB 4.19Å; Y86-M245 HydrophobicContact CD1-CE 4.32Å; Y86-M245 HydrophobicContact CE1-CE 4.24Å; Y86-D246 WeakPolarHBondContact CE1-OD1 3.34Å; Y86-D246 VanDerWaalsContact CZ-OD1 3.31Å; Y86-D246 PolarHBondContact OH-OD1 2.98Å
87	A	92.6	Very high	95.8	Very high	52 Å²	52	57.7 Å²	57.7	43%	0.43	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-48.6	-167.6	0	0	0	0	0	112.8	D84 K90	D84-A87 HydrophobicContact CB-CB 4.12Å; D84-A87 PolarHBondContact O-N 3.47Å; D84-A87 PolarHBondContact OD2-N 2.89Å; A87-K90 PolarHBondContact O-NZ 2.72Å
88	R	91.6	Very high	96	Very high	86 Å²	86	62.9 Å²	62.9	33%	0.325	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-39.3	-173.4	-172.7	177.9	-179.7	-178.6	-3.4	113.5	Y86 D170 P353	Y86-R88 PolarHBondContact O-N 3.47Å; R88-D170 IonicContact NH2-OD2 3.26Å; R88-D170 PolarHBondContact NH2-OD2 3.49Å; R88-P353 WeakPolarHBondContact O-CB 3.34Å
89	N	92.6	Very high	96.1	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-9.6	-167.5	-62.8	92.9	0	0	0	114.5	Y86 F91 Q93 N133 E134 A135 R349	Y86-N89 PolarHBondContact O-N 3.4Å; N89-F91 HydrophobicContact CB-CD1 3.88Å; N89-F91 HydrophobicContact CB-CD2 3.97Å; N89-F91 HydrophobicContact CB-CE1 3.62Å; N89-F91 HydrophobicContact CB-CE2 3.68Å; N89-F91 HydrophobicContact CB-CG 4.06Å; N89-F91 HydrophobicContact CB-CZ 3.5Å; N89-F91 PolarHBondContact O-N 3.05Å; N89-Q93 PolarHBondContact OD1-OE1 2.76Å; N89-N133 PolarHBondContact ND2-O 3.21Å; N89-E134 PolarHBondContact ND2-OE1 3.23Å; N89-A135 PolarHBondContact ND2-N 3.22Å; N89-R349 WeakPolarHBondContact O-CD 3.44Å; N89-R349 PolarHBondContact O-NH1 2.98Å
90	K	95.1	Very high	96.2	Very high	60 Å²	60	63.9 Å²	63.9	26%	0.261	34%	0.339	S	S	.	.	S	Bend	trans	56.4	26.3	-171	-51.4	-53.2	177.7	-145.7	0	113.7	Y86 A87 M245 Q351 P353	Y86-K90 WeakPolarHBondContact O-CA 3.38Å; Y86-K90 PolarHBondContact O-N 2.98Å; A87-K90 PolarHBondContact O-NZ 2.72Å; K90-M245 WeakPolarHBondContact O-CE 3.33Å; K90-Q351 WeakPolarHBondContact CB-O 3.39Å; K90-Q351 HydrophobicContact CG-CB 4.28Å; K90-P353 HydrophobicContact CG-CB 3.88Å
91	F	97.6	Very high	96.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-140.2	164.6	160.6	60.2	-117.3	0	0	0	107.2	P85 Y86 N89 Q93 E134 A135 A138 M245 F248 V347 R349	P85-F91 VanDerWaalsContact O-O 3.13Å; Y86-F91 VanDerWaalsContact CD1-C 3.47Å; N89-F91 HydrophobicContact CB-CD1 3.88Å; N89-F91 HydrophobicContact CB-CD2 3.97Å; N89-F91 HydrophobicContact CB-CE1 3.62Å; N89-F91 HydrophobicContact CB-CE2 3.68Å; N89-F91 HydrophobicContact CB-CG 4.06Å; N89-F91 HydrophobicContact CB-CZ 3.5Å; N89-F91 PolarHBondContact O-N 3.05Å; F91-Q93 PolarHBondContact O-N 2.93Å; F91-E134 WeakPolarHBondContact CE1-OE1 3.33Å; F91-E134 WeakPolarHBondContact CZ-OE1 3.42Å; F91-A135 HydrophobicContact CE2-CB 3.89Å; F91-A135 HydrophobicContact CZ-CB 3.66Å; F91-A138 HydrophobicContact CZ-CB 4.1Å; F91-M245 HydrophobicContact CB-CB 3.86Å; F91-F248 HydrophobicContact CB-CE2 4.42Å; F91-F248 HydrophobicContact CB-CZ 4.41Å; F91-F248 AromaticContact CD2-CE2 3.83Å; F91-F248 HydrophobicContact CD2-CE2 3.83Å; F91-F248 AromaticContact CD2-CZ 3.46Å; F91-F248 HydrophobicContact CD2-CZ 3.46Å; F91-F248 VanDerWaalsContact CD2-CZ 3.46Å; F91-F248 HydrophobicContact CE2-CE2 4.49Å; F91-F248 AromaticContact CE2-CZ 3.79Å; F91-F248 HydrophobicContact CE2-CZ 3.79Å; F91-F248 HydrophobicContact CG-CE2 4.37Å; F91-F248 AromaticContact CG-CZ 3.97Å; F91-F248 HydrophobicContact CG-CZ 3.97Å; F91-V347 HydrophobicContact CB-CG1 3.84Å; F91-V347 HydrophobicContact CD1-CG1 3.74Å; F91-V347 HydrophobicContact CG-CG1 3.98Å; F91-R349 HydrophobicContact CD1-CG 4.44Å; F91-R349 VanDerWaalsContact CE1-CZ 3.42Å; F91-R349 VanDerWaalsContact CE1-NH2 3.32Å
92	N	98	Very high	96.6	Very high	18 Å²	18	52 Å²	52	10%	0.096	28%	0.281	C	S	.	.			trans	-72.2	97.3	-177.3	-167.9	-29.6	0	0	0	111.7	Y86 V94 E95 S96 M245 D246 F248	Y86-N92 HydrophobicContact CD1-CB 4.49Å; Y86-N92 HydrophobicContact CE1-CB 3.83Å; Y86-N92 HydrophobicContact CE2-CB 4.19Å; N92-V94 VanDerWaalsContact C-N 3.27Å; N92-V94 PolarHBondContact O-N 3.46Å; N92-V94 WeakPolarHBondContact OD1-CB 3.32Å; N92-V94 PolarHBondContact OD1-N 2.85Å; N92-V94 VanDerWaalsContact OD1-N 3.16Å; N92-E95 HydrophobicContact CB-CB 4.32Å; N92-E95 HydrophobicContact CB-CG 4.27Å; N92-E95 PolarHBondContact O-N 3.15Å; N92-E95 PolarHBondContact OD1-N 2.73Å; N92-E95 VanDerWaalsContact OD1-N 3.16Å; N92-S96 PolarHBondContact O-N 2.64Å; N92-M245 WeakPolarHBondContact CB-O 3.49Å; N92-M245 PolarHBondContact N-O 3.4Å; N92-D246 WeakPolarHBondContact CB-O 3.45Å; N92-D246 PolarHBondContact ND2-O 2.73Å; N92-F248 WeakPolarHBondContact O-CE2 3.46Å
93	Q	98.3	Very high	96.9	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-32.8	-178.9	-168.7	-168.6	-34.2	0	0	111.9	T77 V79 P85 N89 F91 E95 S96 D97 A135	T77-Q93 PolarHBondContact O-NE2 3.09Å; V79-Q93 HydrophobicContact CG2-CB 3.78Å; V79-Q93 HydrophobicContact CG2-CG 4.07Å; P85-Q93 PolarHBondContact O-N 3.23Å; N89-Q93 PolarHBondContact OD1-OE1 2.76Å; F91-Q93 PolarHBondContact O-N 2.93Å; Q93-E95 VanDerWaalsContact C-N 3.35Å; Q93-E95 PolarHBondContact O-N 2.95Å; Q93-S96 WeakPolarHBondContact O-CB 3.31Å; Q93-S96 PolarHBondContact O-N 2.83Å; Q93-D97 PolarHBondContact NE2-OD2 2.77Å; Q93-D97 WeakPolarHBondContact O-CB 3.43Å; Q93-D97 PolarHBondContact O-N 3.21Å; Q93-A135 HydrophobicContact CG-CB 4.07Å
94	V	98.3	Very high	97	Very high	54 Å²	54	49.3 Å²	49.3	33%	0.327	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-43.1	177.8	168.6	0	0	0	0	111.2	V79 P85 N92 D97 K98	V79-V94 HydrophobicContact CB-CG2 3.7Å; V79-V94 HydrophobicContact CG1-CG2 4.1Å; V79-V94 HydrophobicContact CG2-CG2 3.94Å; P85-V94 HydrophobicContact CB-CB 4.16Å; P85-V94 HydrophobicContact CB-CG2 3.73Å; N92-V94 VanDerWaalsContact C-N 3.27Å; N92-V94 PolarHBondContact O-N 3.46Å; N92-V94 WeakPolarHBondContact OD1-CB 3.32Å; N92-V94 PolarHBondContact OD1-N 2.85Å; N92-V94 VanDerWaalsContact OD1-N 3.16Å; V94-D97 PolarHBondContact O-N 3.26Å; V94-K98 WeakPolarHBondContact O-CG 3.31Å; V94-K98 PolarHBondContact O-N 2.75Å
95	E	98.5	Very high	97.1	Very high	57 Å²	57	45.8 Å²	45.8	27%	0.266	24%	0.241	S	C	.	.	H	α-helix	trans	-69.7	-35.7	175.3	-62.8	-51.5	139.6	0	0	112.3	N92 Q93 K98 L99 D246 F248	N92-E95 HydrophobicContact CB-CB 4.32Å; N92-E95 HydrophobicContact CB-CG 4.27Å; N92-E95 PolarHBondContact O-N 3.15Å; N92-E95 PolarHBondContact OD1-N 2.73Å; N92-E95 VanDerWaalsContact OD1-N 3.16Å; Q93-E95 VanDerWaalsContact C-N 3.35Å; Q93-E95 PolarHBondContact O-N 2.95Å; E95-K98 IonicContact OE1-NZ 2.64Å; E95-K98 PolarHBondContact OE1-NZ 2.81Å; E95-K98 WeakPolarHBondContact OE2-CD 3.48Å; E95-K98 IonicContact OE2-NZ 2.96Å; E95-K98 PolarHBondContact OE2-NZ 3.22Å; E95-L99 WeakPolarHBondContact O-CG 3.38Å; E95-D246 VanDerWaalsContact CG-O 3.25Å; E95-D246 WeakPolarHBondContact CG-O 3.5Å; E95-F248 HydrophobicContact CB-CD2 3.93Å
96	S	98.6	Very high	97.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-42	174.3	-171.4	0	0	0	0	112.6	N92 Q93 K98 L99 S137 R141 F248	N92-S96 PolarHBondContact O-N 2.64Å; Q93-S96 WeakPolarHBondContact O-CB 3.31Å; Q93-S96 PolarHBondContact O-N 2.83Å; S96-K98 VanDerWaalsContact C-N 3.31Å; S96-K98 PolarHBondContact O-N 3.34Å; S96-L99 PolarHBondContact O-N 3.37Å; S96-S137 WeakPolarHBondContact CB-OG 3.49Å; S96-S137 PolarHBondContact OG-OG 3.49Å; S96-R141 PolarHBondContact O-NH1 3.03Å; S96-R141 PolarHBondContact OG-NH1 3.21Å; S96-R141 PolarHBondContact OG-NH2 2.83Å; S96-R141 VanDerWaalsContact OG-NH2 3.16Å; S96-F248 VanDerWaalsContact CB-CZ 3.44Å
97	D	98.5	Very high	97.3	Very high	20 Å²	20	46.3 Å²	46.3	11%	0.107	25%	0.25	C	C	.	.	H	α-helix	trans	-72.9	-22.2	-174.1	-70.4	-10.7	0	0	0	112.7	V74 L78 Q93 V94 L99 S137	V74-D97 HydrophobicContact CG1-CB 4.01Å; L78-D97 HydrophobicContact CD2-CB 3.87Å; Q93-D97 PolarHBondContact NE2-OD2 2.77Å; Q93-D97 WeakPolarHBondContact O-CB 3.43Å; Q93-D97 PolarHBondContact O-N 3.21Å; V94-D97 PolarHBondContact O-N 3.26Å; D97-L99 VanDerWaalsContact C-N 3.26Å; D97-L99 PolarHBondContact O-N 2.95Å; D97-S137 WeakPolarHBondContact OD1-CB 3.45Å; D97-S137 PolarHBondContact OD1-OG 2.7Å
98	K	98.1	Very high	97.6	Very high	130 Å²	130	45 Å²	45	57%	0.565	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.6	174	-72.6	171.3	-169.1	174.1	0	113.6	V94 E95 S96	V94-K98 WeakPolarHBondContact O-CG 3.31Å; V94-K98 PolarHBondContact O-N 2.75Å; E95-K98 IonicContact OE1-NZ 2.64Å; E95-K98 PolarHBondContact OE1-NZ 2.81Å; E95-K98 WeakPolarHBondContact OE2-CD 3.48Å; E95-K98 IonicContact OE2-NZ 2.96Å; E95-K98 PolarHBondContact OE2-NZ 3.22Å; S96-K98 VanDerWaalsContact C-N 3.31Å; S96-K98 PolarHBondContact O-N 3.34Å
99	L	98.6	Very high	97.9	Very high	37 Å²	37	42 Å²	42	19%	0.194	23%	0.225	C	C	.	.	S	Bend	trans	-84.5	140.1	-169.5	-64	168.1	0	0	0	111.5	Q70 E95 S96 D97 R103 F248	Q70-L99 PolarHBondContact NE2-O 2.81Å; E95-L99 WeakPolarHBondContact O-CG 3.38Å; S96-L99 PolarHBondContact O-N 3.37Å; D97-L99 VanDerWaalsContact C-N 3.26Å; D97-L99 PolarHBondContact O-N 2.95Å; L99-R103 VanDerWaalsContact CD1-CZ 3.5Å; L99-F248 HydrophobicContact CD1-CB 3.6Å; L99-F248 HydrophobicContact CD1-CD1 3.96Å; L99-F248 HydrophobicContact CD1-CG 4Å
100	Q	98.6	Very high	98.1	Very high	109 Å²	109	45.5 Å²	45.5	51%	0.509	24%	0.242	S	C	.	.			trans	-63.5	143.2	167.9	-64.4	-60.5	-49.1	0	0	110.3	D102 R103	Q100-D102 PolarHBondContact O-N 3.16Å; Q100-D102 VanDerWaalsContact O-N 3.1Å; Q100-R103 WeakPolarHBondContact O-CB 3.21Å; Q100-R103 PolarHBondContact O-N 2.85Å; Q100-R103 VanDerWaalsContact O-N 3.15Å
101	M	98.5	Very high	98.2	Very high	17 Å²	17	47.6 Å²	47.6	8%	0.084	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.5	-179.3	62.3	179.5	176.5	0	0	112.9	W65 F68 Q70 L140 I144	W65-M101 HydrophobicContact CE3-CE 4.34Å; W65-M101 WeakPolarHBondContact O-CE 3.23Å; F68-M101 HydrophobicContact CD1-SD 4.48Å; Q70-M101 HydrophobicContact CB-SD 4.12Å; Q70-M101 VanDerWaalsContact OE1-CG 3.32Å; M101-L140 HydrophobicContact CB-CD2 3.78Å; M101-L140 HydrophobicContact CB-CG 3.84Å; M101-L140 HydrophobicContact CG-CD2 4.43Å; M101-L140 HydrophobicContact SD-CD1 4.22Å; M101-L140 HydrophobicContact SD-CD2 3.87Å; M101-L140 HydrophobicContact SD-CG 4.19Å; M101-I144 HydrophobicContact CB-CB 4.48Å; M101-I144 HydrophobicContact CB-CG1 4.03Å; M101-I144 HydrophobicContact CG-CG1 4.11Å; M101-I144 HydrophobicContact CG-CG2 4.35Å; M101-I144 WeakPolarHBondContact O-CB 3.33Å; M101-I144 WeakPolarHBondContact O-CG2 3.29Å; M101-I144 HydrophobicContact SD-CD1 4.03Å; M101-I144 HydrophobicContact SD-CG1 3.92Å
102	D	98.5	Very high	98.1	Very high	52 Å²	52	52.3 Å²	52.3	28%	0.278	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	21.8	-178.3	82.2	-44.3	0	0	0	112.9	W65 Q100 I144 K148	W65-D102 HydrophobicContact CH2-CB 4.15Å; W65-D102 HydrophobicContact CZ3-CB 3.77Å; Q100-D102 PolarHBondContact O-N 3.16Å; Q100-D102 VanDerWaalsContact O-N 3.1Å; D102-I144 HydrophobicContact CB-CG2 3.83Å; D102-K148 HydrophobicContact CB-CD 3.91Å; D102-K148 PolarHBondContact O-NZ 3.33Å; D102-K148 IonicContact OD2-NZ 3.72Å; D102-K148 PolarHBondContact OD2-NZ 3.29Å
103	R	98.4	Very high	98.1	Very high	45 Å²	45	51.5 Å²	51.5	17%	0.17	27%	0.273	C	S	.	.			trans	-45.5	146.8	-178.1	70	171.9	-175.8	162.4	0.3	112.9	L99 Q100 E215 F248	L99-R103 VanDerWaalsContact CD1-CZ 3.5Å; Q100-R103 WeakPolarHBondContact O-CB 3.21Å; Q100-R103 PolarHBondContact O-N 2.85Å; Q100-R103 VanDerWaalsContact O-N 3.15Å; R103-E215 IonicContact CZ-OE1 3.44Å; R103-E215 IonicContact CZ-OE2 2.6Å; R103-E215 IonicContact NE-OE1 2.9Å; R103-E215 PolarHBondContact NE-OE1 3.41Å; R103-E215 IonicContact NE-OE2 2.83Å; R103-E215 PolarHBondContact NE-OE2 3.41Å; R103-E215 VanDerWaalsContact NH2-CD 3.34Å; R103-E215 IonicContact NH2-OE1 3.2Å; R103-E215 PolarHBondContact NH2-OE1 2.96Å; R103-E215 IonicContact NH2-OE2 2.78Å; R103-E215 PolarHBondContact NH2-OE2 3.41Å; R103-F248 VanDerWaalsContact CZ-O 3.27Å; R103-F248 PolarHBondContact NH1-O 2.83Å; R103-F248 PolarHBondContact NH2-O 3.21Å
104	A	98.2	Very high	97.9	Very high	99 Å²	99	57.1 Å²	57.1	82%	0.818	29%	0.294	S	S	*	.			trans	-69.8	141.8	171.6	0	0	0	0	0	110.8
105	V	98.3	Very high	97.5	Very high	20 Å²	20	58.7 Å²	58.7	12%	0.121	31%	0.308	C	S	.	.			trans	-125.9	149.5	172.5	-63.8	0	0	0	0	108.5	E215 Y250	V105-E215 WeakPolarHBondContact CG1-OE2 3.36Å; V105-Y250 HydrophobicContact CB-CD1 4.42Å; V105-Y250 HydrophobicContact CB-CD2 3.91Å; V105-Y250 HydrophobicContact CB-CE2 4.3Å; V105-Y250 HydrophobicContact CB-CG 3.97Å; V105-Y250 HydrophobicContact CG1-CD2 3.7Å; V105-Y250 HydrophobicContact CG1-CE2 4.32Å; V105-Y250 HydrophobicContact CG1-CG 4.07Å; V105-Y250 HydrophobicContact CG2-CD2 4.48Å; V105-Y250 HydrophobicContact CG2-CE2 4.38Å
106	P	98.3	Very high	97.3	Very high	70 Å²	70	59.6 Å²	59.6	46%	0.455	31%	0.31	S	S	.	.			trans	-64.6	141.3	178.4	27.4	-34.2	0	0	0	111.1	T108 N217 Y250	P106-T108 HydrophobicContact CG-CG2 4.37Å; P106-T108 PolarHBondContact O-N 3.43Å; P106-T108 VanDerWaalsContact O-N 3.15Å; P106-N217 PolarHBondContact O-ND2 3.04Å; P106-Y250 HydrophobicContact CG-CD1 3.99Å
107	D	98.3	Very high	97.1	Very high	38 Å²	38	67.5 Å²	67.5	20%	0.203	35%	0.347	C	S	.	.			trans	-75.2	101.1	169.9	-179.7	6.1	0	0	0	109.8	R109 R114	D107-R109 VanDerWaalsContact C-N 3.34Å; D107-R109 VanDerWaalsContact OD1-CB 3.24Å; D107-R109 WeakPolarHBondContact OD1-CB 3.41Å; D107-R109 VanDerWaalsContact OD1-CG 3.26Å; D107-R109 WeakPolarHBondContact OD1-CG 3.34Å; D107-R109 IonicContact OD1-CZ 2.95Å; D107-R109 PolarHBondContact OD1-N 3.4Å; D107-R109 IonicContact OD1-NE 3.86Å; D107-R109 PolarHBondContact OD1-NE 2.71Å; D107-R109 IonicContact OD1-NH2 3.27Å; D107-R109 IonicContact OD2-CZ 3.86Å; D107-R109 IonicContact OD2-NE 3.75Å; D107-R109 PolarHBondContact OD2-NE 3.07Å; D107-R109 IonicContact OD2-NH2 3.23Å; D107-R109 PolarHBondContact OD2-NH2 3.23Å; D107-R114 PolarHBondContact O-NH2 3Å; D107-R114 IonicContact OD2-CZ 2.75Å; D107-R114 IonicContact OD2-NE 3.34Å; D107-R114 PolarHBondContact OD2-NE 3.21Å; D107-R114 IonicContact OD2-NH2 3.38Å
108	T	98.3	Very high	96.9	Very high	26 Å²	26	68.7 Å²	68.7	16%	0.16	35%	0.35	C	S	.	.			trans	-88.4	3	-177.6	52	0	0	0	0	113.4	P106 N217 D241 Y250 R343	P106-T108 HydrophobicContact CG-CG2 4.37Å; P106-T108 PolarHBondContact O-N 3.43Å; P106-T108 VanDerWaalsContact O-N 3.15Å; T108-N217 PolarHBondContact OG1-ND2 2.97Å; T108-D241 WeakPolarHBondContact CB-OD2 3.13Å; T108-D241 PolarHBondContact OG1-OD2 2.88Å; T108-Y250 HydrophobicContact CG2-CD1 4.24Å; T108-Y250 HydrophobicContact CG2-CE1 3.85Å; T108-R343 PolarHBondContact O-NE 3.46Å; T108-R343 PolarHBondContact O-NH2 3.43Å; T108-R343 WeakPolarHBondContact OG1-CD 3.48Å; T108-R343 WeakPolarHBondContact OG1-CG 3.38Å
109	R	98.2	Very high	96.6	Very high	22 Å²	22	67.6 Å²	67.6	8%	0.083	34%	0.343	C	S	.	.	S	Bend	trans	-69	152.8	178.6	-60.8	173.4	-61.7	162	5.9	110.8	D107 C113 D218 H219 C341 R343	D107-R109 VanDerWaalsContact C-N 3.34Å; D107-R109 VanDerWaalsContact OD1-CB 3.24Å; D107-R109 WeakPolarHBondContact OD1-CB 3.41Å; D107-R109 VanDerWaalsContact OD1-CG 3.26Å; D107-R109 WeakPolarHBondContact OD1-CG 3.34Å; D107-R109 IonicContact OD1-CZ 2.95Å; D107-R109 PolarHBondContact OD1-N 3.4Å; D107-R109 IonicContact OD1-NE 3.86Å; D107-R109 PolarHBondContact OD1-NE 2.71Å; D107-R109 IonicContact OD1-NH2 3.27Å; D107-R109 IonicContact OD2-CZ 3.86Å; D107-R109 IonicContact OD2-NE 3.75Å; D107-R109 PolarHBondContact OD2-NE 3.07Å; D107-R109 IonicContact OD2-NH2 3.23Å; D107-R109 PolarHBondContact OD2-NH2 3.23Å; R109-C113 HydrophobicContact CB-CB 3.97Å; R109-D218 VanDerWaalsContact CD-O 3.25Å; R109-D218 WeakPolarHBondContact CD-O 3.47Å; R109-D218 PolarHBondContact NE-O 3.19Å; R109-D218 PolarHBondContact NH1-O 3.33Å; R109-D218 VanDerWaalsContact NH1-O 3.13Å; R109-H219 PolarHBondContact NH1-CD2 3.4Å; R109-C341 WeakPolarHBondContact CD-O 3.44Å; R109-R343 HydrophobicContact CG-CB 4.39Å; R109-R343 HydrophobicContact CG-CG 3.67Å
110	H	97.4	Very high	96.2	Very high	75 Å²	75	70.8 Å²	70.8	35%	0.347	37%	0.368	S	S	.	.			trans	-65.3	147.5	170.2	-172.1	-81.1	0	0	0	110.2	H112 C113 I285	H110-H112 VanDerWaalsContact C-N 3.28Å; H110-H112 AromaticContact CE1-CD2 3.84Å; H110-H112 AromaticContact CE1-CE1 3.99Å; H110-H112 AromaticContact CE1-CG 3.67Å; H110-H112 AromaticContact CE1-ND1 3.78Å; H110-H112 AromaticContact ND1-CG 3.62Å; H110-H112 PolarHBondContact ND1-N 3.28Å; H110-H112 PolarHBondContact O-N 2.84Å; H110-H112 VanDerWaalsContact O-N 3.17Å; H110-C113 WeakPolarHBondContact O-CB 3.44Å; H110-C113 PolarHBondContact O-N 3.48Å; H110-I285 HydrophobicContact CB-CG2 3.76Å
111	D	96.3	Very high	96.1	Very high	103 Å²	103	70.5 Å²	70.5	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-55.9	-39.7	-174.2	-71.1	-37.5	0	0	0	113.5	C113 R114	D111-C113 PolarHBondContact O-N 2.92Å; D111-C113 VanDerWaalsContact O-N 3.14Å; D111-R114 WeakPolarHBondContact O-CB 3.19Å; D111-R114 PolarHBondContact O-N 3.38Å; D111-R114 IonicContact OD1-CZ 3.61Å; D111-R114 IonicContact OD1-NH1 3.7Å; D111-R114 PolarHBondContact OD1-NH1 3.32Å
112	H	95.9	Very high	96	Very high	99 Å²	99	70.4 Å²	70.4	46%	0.458	37%	0.37	S	S	.	.	H	α-helix	trans	-58	-26.3	175.4	-62.3	179.9	0	0	0	114.2	H110 R114 S115 K116 I285	H110-H112 VanDerWaalsContact C-N 3.28Å; H110-H112 AromaticContact CE1-CD2 3.84Å; H110-H112 AromaticContact CE1-CE1 3.99Å; H110-H112 AromaticContact CE1-CG 3.67Å; H110-H112 AromaticContact CE1-ND1 3.78Å; H110-H112 AromaticContact ND1-CG 3.62Å; H110-H112 PolarHBondContact ND1-N 3.28Å; H110-H112 PolarHBondContact O-N 2.84Å; H110-H112 VanDerWaalsContact O-N 3.17Å; H112-R114 VanDerWaalsContact C-N 3.34Å; H112-S115 PolarHBondContact O-OG 3Å; H112-S115 VanDerWaalsContact O-OG 3.06Å; H112-K116 PolarHBondContact O-N 3.43Å; H112-I285 HydrophobicContact CB-CD1 3.88Å; H112-I285 HydrophobicContact CB-CG1 4.37Å; H112-I285 HydrophobicContact CB-CG2 4.01Å
113	C	97.4	Very high	96	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.007	37%	0.368	C	S	.	.	H	α-helix	trans	-71.2	-31.4	175.5	-61.4	0	0	0	0	112.1	R109 H110 D111 S115 K116 I285 C341	R109-C113 HydrophobicContact CB-CB 3.97Å; H110-C113 WeakPolarHBondContact O-CB 3.44Å; H110-C113 PolarHBondContact O-N 3.48Å; D111-C113 PolarHBondContact O-N 2.92Å; D111-C113 VanDerWaalsContact O-N 3.14Å; C113-S115 VanDerWaalsContact C-N 3.29Å; C113-S115 PolarHBondContact O-N 3.44Å; C113-K116 PolarHBondContact O-N 2.92Å; C113-I285 WeakPolarHBondContact SG-CG2 3.16Å; C113-C341 VanDerWaalsContact CA-SG 3.58Å; C113-C341 HydrophobicContact CB-CB 3.64Å; C113-C341 WeakPolarHBondContact CB-SG 3.18Å; C113-C341 WeakPolarHBondContact SG-CA 3.49Å; C113-C341 WeakPolarHBondContact SG-CB 3.24Å; C113-C341 CovalentContact SG-SG 2.04Å; C113-C341 PolarHBondContact SG-SG 3.03Å
114	R	93.9	Very high	96	Very high	126 Å²	126	68.6 Å²	68.6	48%	0.475	37%	0.369	S	S	.	.	H	α-helix	trans	-69.3	-30.1	-177.9	-58.6	178.5	173.2	158.7	-4.2	111.8	D107 D111 H112	D107-R114 PolarHBondContact O-NH2 3Å; D107-R114 IonicContact OD2-CZ 2.75Å; D107-R114 IonicContact OD2-NE 3.34Å; D107-R114 PolarHBondContact OD2-NE 3.21Å; D107-R114 IonicContact OD2-NH2 3.38Å; D111-R114 WeakPolarHBondContact O-CB 3.19Å; D111-R114 PolarHBondContact O-N 3.38Å; D111-R114 IonicContact OD1-CZ 3.61Å; D111-R114 IonicContact OD1-NH1 3.7Å; D111-R114 PolarHBondContact OD1-NH1 3.32Å; H112-R114 VanDerWaalsContact C-N 3.34Å
115	S	91.6	Very high	96	Very high	87 Å²	87	63.9 Å²	63.9	61%	0.608	33%	0.33	S	S	*	.	S	Bend	trans	-88.9	-12.8	176.5	53.4	0	0	0	0	114.2	H112 C113 Q117	H112-S115 PolarHBondContact O-OG 3Å; H112-S115 VanDerWaalsContact O-OG 3.06Å; C113-S115 VanDerWaalsContact C-N 3.29Å; C113-S115 PolarHBondContact O-N 3.44Å; S115-Q117 PolarHBondContact O-N 3.41Å
116	K	93.5	Very high	96.1	Very high	75 Å²	75	62.9 Å²	62.9	33%	0.326	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-74.7	125	-176.9	-177.5	166.8	156.7	79.7	0	110	H112 C113 W118 E226 I285	H112-K116 PolarHBondContact O-N 3.43Å; C113-K116 PolarHBondContact O-N 2.92Å; K116-W118 HydrophobicContact CB-CZ2 4.19Å; K116-W118 HydrophobicContact CD-CE3 4.44Å; K116-W118 HydrophobicContact CD-CH2 3.49Å; K116-W118 VanDerWaalsContact CD-CH2 3.49Å; K116-W118 HydrophobicContact CD-CZ2 3.77Å; K116-W118 HydrophobicContact CD-CZ3 3.88Å; K116-W118 HydrophobicContact CG-CD2 4.5Å; K116-W118 HydrophobicContact CG-CH2 4.16Å; K116-W118 HydrophobicContact CG-CZ2 3.97Å; K116-W118 HydrophobicContact CG-CZ3 4.5Å; K116-E226 IonicContact NZ-OE2 3.52Å; K116-E226 PolarHBondContact NZ-OE2 3.12Å; K116-E226 VanDerWaalsContact NZ-OE2 3.14Å; K116-I285 HydrophobicContact CD-CD1 4.46Å
117	Q	93.9	Very high	96.1	Very high	166 Å²	166	59.6 Å²	59.6	78%	0.776	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-85.1	135.7	169.3	-61.5	-60.7	-39	0	0	109.1	S115	S115-Q117 PolarHBondContact O-N 3.41Å
118	W	94.1	Very high	96.1	Very high	45 Å²	45	57.8 Å²	57.8	17%	0.17	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-100.5	152.8	178.3	-54.9	99.4	0	0	0	109.8	K116 E222 P223 E226 C341	K116-W118 HydrophobicContact CB-CZ2 4.19Å; K116-W118 HydrophobicContact CD-CE3 4.44Å; K116-W118 HydrophobicContact CD-CH2 3.49Å; K116-W118 VanDerWaalsContact CD-CH2 3.49Å; K116-W118 HydrophobicContact CD-CZ2 3.77Å; K116-W118 HydrophobicContact CD-CZ3 3.88Å; K116-W118 HydrophobicContact CG-CD2 4.5Å; K116-W118 HydrophobicContact CG-CH2 4.16Å; K116-W118 HydrophobicContact CG-CZ2 3.97Å; K116-W118 HydrophobicContact CG-CZ3 4.5Å; W118-E222 HydrophobicContact CB-CB 3.71Å; W118-E222 HydrophobicContact CB-CG 4.35Å; W118-E222 HydrophobicContact CD2-CB 4.08Å; W118-E222 HydrophobicContact CG-CB 3.62Å; W118-E222 HydrophobicContact CG-CG 4.45Å; W118-P223 HydrophobicContact CD2-CG 4.31Å; W118-P223 HydrophobicContact CE3-CB 4.28Å; W118-P223 HydrophobicContact CE3-CG 4.34Å; W118-P223 HydrophobicContact CH2-CB 3.43Å; W118-P223 VanDerWaalsContact CH2-CB 3.43Å; W118-P223 HydrophobicContact CH2-CG 3.55Å; W118-P223 HydrophobicContact CZ2-CB 3.97Å; W118-P223 HydrophobicContact CZ2-CG 3.51Å; W118-P223 HydrophobicContact CZ3-CB 3.6Å; W118-P223 HydrophobicContact CZ3-CG 3.97Å; W118-E226 HydrophobicContact CE3-CB 4.47Å; W118-C341 HydrophobicContact CH2-CB 3.96Å; W118-C341 HydrophobicContact CZ2-CB 3.92Å
119	R	92.3	Very high	96.2	Very high	107 Å²	107	56.6 Å²	56.6	40%	0.404	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-59.1	141.8	174.2	-75	176.8	57.4	-178.4	-1.5	111.2	D121 L122 E226	R119-D121 WeakPolarHBondContact CB-OD1 3.42Å; R119-D121 IonicContact CZ-OD1 2.84Å; R119-D121 IonicContact CZ-OD2 3.29Å; R119-D121 IonicContact NE-OD1 3.41Å; R119-D121 PolarHBondContact NE-OD1 3.02Å; R119-D121 IonicContact NE-OD2 3.87Å; R119-D121 VanDerWaalsContact NH2-CG 3.28Å; R119-D121 IonicContact NH2-OD1 2.76Å; R119-D121 PolarHBondContact NH2-OD1 2.93Å; R119-D121 IonicContact NH2-OD2 2.69Å; R119-D121 PolarHBondContact NH2-OD2 2.9Å; R119-L122 HydrophobicContact CB-CD2 4.13Å; R119-L122 HydrophobicContact CB-CG 4.2Å; R119-L122 WeakPolarHBondContact O-CD1 3.32Å; R119-L122 WeakPolarHBondContact O-CG 3.26Å; R119-E226 PolarHBondContact N-OE1 3.37Å
120	S	90.6	Very high	96.2	Very high	105 Å²	105	56 Å²	56	73%	0.734	29%	0.285	S	S	*	.	S	Bend	trans	-85.3	-20.8	177	56.8	0	0	0	0	113.2	L122	S120-L122 VanDerWaalsContact C-N 3.28Å; S120-L122 PolarHBondContact O-N 2.63Å
121	D	95.2	Very high	96.2	Very high	103 Å²	103	52.8 Å²	52.8	55%	0.551	27%	0.27	S	S	*	.			trans	-92.4	39.3	-176.2	68.4	-36.8	0	0	0	112.6	R119	R119-D121 WeakPolarHBondContact CB-OD1 3.42Å; R119-D121 IonicContact CZ-OD1 2.84Å; R119-D121 IonicContact CZ-OD2 3.29Å; R119-D121 IonicContact NE-OD1 3.41Å; R119-D121 PolarHBondContact NE-OD1 3.02Å; R119-D121 IonicContact NE-OD2 3.87Å; R119-D121 VanDerWaalsContact NH2-CG 3.28Å; R119-D121 IonicContact NH2-OD1 2.76Å; R119-D121 PolarHBondContact NH2-OD1 2.93Å; R119-D121 IonicContact NH2-OD2 2.69Å; R119-D121 PolarHBondContact NH2-OD2 2.9Å
122	L	98.1	Very high	96.3	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.073	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-80.9	144.1	-179.2	-67	173.9	0	0	0	111.7	R119 S120 L154 E222 L225 E226 A229	R119-L122 HydrophobicContact CB-CD2 4.13Å; R119-L122 HydrophobicContact CB-CG 4.2Å; R119-L122 WeakPolarHBondContact O-CD1 3.32Å; R119-L122 WeakPolarHBondContact O-CG 3.26Å; S120-L122 VanDerWaalsContact C-N 3.28Å; S120-L122 PolarHBondContact O-N 2.63Å; L122-L154 HydrophobicContact CB-CD1 4.49Å; L122-L154 HydrophobicContact CB-CD2 3.73Å; L122-L154 HydrophobicContact CD1-CD1 4.43Å; L122-L154 WeakPolarHBondContact O-CD2 3.46Å; L122-E222 HydrophobicContact CD1-CB 3.87Å; L122-E222 HydrophobicContact CD1-CG 4.33Å; L122-L225 HydrophobicContact CB-CB 4.33Å; L122-L225 HydrophobicContact CD1-CB 4.25Å; L122-L225 HydrophobicContact CD2-CB 4.39Å; L122-E226 HydrophobicContact CD2-CB 4.01Å; L122-A229 HydrophobicContact CD2-CB 4.37Å
123	P	98.2	Very high	96.4	Very high	35 Å²	35	45.9 Å²	45.9	23%	0.227	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-67.8	135.6	176.6	28.7	-34.5	0	0	0	110.7	P205 V206 L225 A229	P123-P205 HydrophobicContact CB-CG 4Å; P123-V206 HydrophobicContact CB-CG2 3.99Å; P123-V206 HydrophobicContact CG-CG2 3.76Å; P123-L225 WeakPolarHBondContact O-CD1 3.27Å; P123-A229 HydrophobicContact CG-CB 4.12Å
124	A	98.5	Very high	96.4	Very high	24 Å²	24	46.2 Å²	46.2	20%	0.198	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-63.8	154.1	172.5	0	0	0	0	0	111.5	L154 K156 A204 P205	A124-L154 CarbonylContact C-O 3.56Å; A124-L154 WeakPolarHBondContact CA-O 3.48Å; A124-K156 HydrophobicContact CB-CB 4.18Å; A124-A204 WeakPolarHBondContact O-CB 3.34Å; A124-P205 WeakPolarHBondContact O-CD 3.45Å
125	S	98.7	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.7	179.4	-173	0	0	0	0	112.7	L154 K156 V206 T208	S125-L154 PolarHBondContact N-O 3.09Å; S125-K156 WeakPolarHBondContact O-CB 3.39Å; S125-K156 PolarHBondContact O-N 3.16Å; S125-V206 CarbonylContact C-O 3.54Å; S125-V206 WeakPolarHBondContact CA-O 3.41Å; S125-V206 WeakPolarHBondContact CB-O 3.48Å; S125-V206 PolarHBondContact OG-O 3.25Å; S125-T208 PolarHBondContact OG-N 2.74Å; S125-T208 PolarHBondContact OG-OG1 2.95Å
126	S	98.9	Very high	97	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.8	164.7	-63	0	0	0	0	108.1	E157 T203 A204 V206 T208	S126-E157 WeakPolarHBondContact OG-CG 3.5Å; S126-E157 PolarHBondContact OG-OE1 3.5Å; S126-T203 PolarHBondContact OG-N 2.95Å; S126-A204 WeakPolarHBondContact OG-CB 3.44Å; S126-A204 PolarHBondContact OG-N 2.94Å; S126-A204 VanDerWaalsContact OG-N 3.09Å; S126-V206 PolarHBondContact N-O 3.27Å; S126-T208 PolarHBondContact O-N 3.31Å
127	V	98.9	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.4	-179.8	-175.2	0	0	0	0	108.6	I129 V146 E157 I158 I159 T208 L210	V127-I129 HydrophobicContact CG1-CD1 4.31Å; V127-I129 HydrophobicContact CG1-CG1 4.12Å; V127-V146 HydrophobicContact CG1-CG1 4.42Å; V127-V146 HydrophobicContact CG1-CG2 4.34Å; V127-V146 HydrophobicContact CG2-CG1 3.99Å; V127-E157 PolarHBondContact N-O 3.29Å; V127-I158 HydrophobicContact CB-CG1 4.32Å; V127-I158 CarbonylContact O-C 3.45Å; V127-I158 WeakPolarHBondContact O-CA 3.39Å; V127-I159 PolarHBondContact O-N 3.26Å; V127-T208 CarbonylContact C-O 3.57Å; V127-T208 VanDerWaalsContact CA-O 3.31Å; V127-T208 WeakPolarHBondContact CA-O 3.14Å; V127-T208 HydrophobicContact CG1-CG2 4.36Å; V127-T208 HydrophobicContact CG2-CG2 4.46Å; V127-L210 HydrophobicContact CG1-CD1 4.01Å; V127-L210 HydrophobicContact CG1-CG 4.4Å
128	V	98.9	Very high	97.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.1	-179.6	-179.2	0	0	0	0	109.3	I159 V161 T208 F209 L210	V128-I159 WeakPolarHBondContact CA-O 3.31Å; V128-I159 HydrophobicContact CG2-CB 4.43Å; V128-I159 HydrophobicContact CG2-CD1 4.34Å; V128-V161 HydrophobicContact CG1-CG2 4.26Å; V128-T208 PolarHBondContact N-O 3.26Å; V128-F209 HydrophobicContact CB-CD1 3.74Å; V128-F209 HydrophobicContact CB-CE1 3.82Å; V128-F209 HydrophobicContact CG1-CD1 3.97Å; V128-F209 HydrophobicContact CG1-CE1 3.9Å; V128-F209 HydrophobicContact CG2-CE1 4.2Å; V128-F209 WeakPolarHBondContact O-CA 3.5Å; V128-L210 PolarHBondContact O-N 3.13Å
129	I	98.9	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.7	178.6	-53.1	175.4	0	0	0	107.7	V127 L139 T142 V143 I158 I159 L160 V161 L210	V127-I129 HydrophobicContact CG1-CD1 4.31Å; V127-I129 HydrophobicContact CG1-CG1 4.12Å; I129-L139 HydrophobicContact CG2-CD1 4.41Å; I129-T142 HydrophobicContact CD1-CG2 3.88Å; I129-V143 HydrophobicContact CD1-CG2 4.47Å; I129-I158 HydrophobicContact CD1-CG2 4.02Å; I129-I159 PolarHBondContact N-O 3.24Å; I129-L160 HydrophobicContact CB-CD2 3.73Å; I129-L160 HydrophobicContact CD1-CD2 4.04Å; I129-L160 HydrophobicContact CG1-CD2 4.31Å; I129-L160 HydrophobicContact CG2-CD2 4.24Å; I129-L160 CarbonylContact O-C 3.5Å; I129-L160 WeakPolarHBondContact O-CA 3.35Å; I129-V161 PolarHBondContact O-N 2.84Å; I129-L210 HydrophobicContact CG1-CB 4.23Å
130	T	98.6	Very high	98	Very high	11 Å²	11	17.9 Å²	17.9	7%	0.067	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141.3	173.9	59.3	0	0	0	0	109.5	V161 L191 R195	T130-V161 CarbonylContact C-O 3.13Å; T130-V161 WeakPolarHBondContact CA-O 3.5Å; T130-V161 HydrophobicContact CG2-CB 4.07Å; T130-V161 HydrophobicContact CG2-CG2 4.46Å; T130-L191 HydrophobicContact CG2-CD1 4.47Å; T130-L191 WeakPolarHBondContact OG1-CD1 3.3Å; T130-R195 HydrophobicContact CG2-CB 4.33Å; T130-R195 HydrophobicContact CG2-CG 3.59Å
131	F	98.6	Very high	98.4	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.026	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.1	176.3	72.3	-81.5	0	0	0	111.7	E134 L139 L160 V161 D162 D163 S165 D170	F131-E134 HydrophobicContact CB-CB 4.21Å; F131-E134 HydrophobicContact CD2-CB 4.39Å; F131-L139 HydrophobicContact CB-CD1 4.34Å; F131-L139 HydrophobicContact CD1-CD1 4.22Å; F131-L139 HydrophobicContact CD1-CD2 4.26Å; F131-L139 HydrophobicContact CD2-CD2 3.96Å; F131-L139 HydrophobicContact CE1-CD2 4.26Å; F131-L139 HydrophobicContact CE2-CD2 3.96Å; F131-L139 HydrophobicContact CG-CD1 4.22Å; F131-L139 HydrophobicContact CG-CD2 4.11Å; F131-L139 HydrophobicContact CZ-CD2 4.1Å; F131-L160 HydrophobicContact CE1-CB 4.12Å; F131-V161 PolarHBondContact N-O 3.5Å; F131-D162 VanDerWaalsContact CE1-CA 3.5Å; F131-D162 HydrophobicContact CE1-CB 3.63Å; F131-D162 HydrophobicContact CE2-CB 4.1Å; F131-D162 HydrophobicContact CZ-CB 3.38Å; F131-D163 WeakPolarHBondContact O-CB 3.44Å; F131-D163 PolarHBondContact O-N 3.01Å; F131-S165 WeakPolarHBondContact CE2-OG 3.11Å; F131-D170 HydrophobicContact CE2-CB 4.33Å
132	H	97.7	Very high	98.6	Very high	32 Å²	32	8.3 Å²	8.3	15%	0.148	5%	0.047	C	C	.	.	S	Bend	trans	-140.7	115.3	171.7	175.6	74.5	0	0	0	108	E134 D163 Y164	H132-E134 VanDerWaalsContact C-N 3.27Å; H132-E134 PolarHBondContact O-N 2.67Å; H132-D163 HydrophobicContact CB-CB 4.3Å; H132-D163 PolarHBondContact ND1-O 2.63Å; H132-Y164 PolarHBondContact CE1-O 2.78Å; H132-Y164 PolarHBondContact ND1-O 2.96Å
133	N	97.3	Very high	98.6	Very high	26 Å²	26	7.6 Å²	7.6	14%	0.139	4%	0.044	C	C	.	.	S	Bend	trans	54.2	37.4	178.7	-72.6	-21.7	0	0	0	114.5	N89 S165 D166	N89-N133 PolarHBondContact ND2-O 3.21Å; N133-S165 PolarHBondContact N-OG 3.29Å; N133-S165 VanDerWaalsContact OD1-CA 3.3Å; N133-S165 WeakPolarHBondContact OD1-CA 3.45Å; N133-S165 WeakPolarHBondContact OD1-CB 3.33Å; N133-D166 VanDerWaalsContact ND2-CG 3.32Å; N133-D166 PolarHBondContact ND2-OD1 2.99Å; N133-D166 PolarHBondContact ND2-OD2 3.37Å; N133-D166 PolarHBondContact OD1-N 2.85Å
134	E	98.4	Very high	98.6	Very high	7 Å²	7	6 Å²	6	3%	0.033	3%	0.033	C	C	.	.			trans	-72	152.6	178.5	-171.1	57.5	-85.2	0	0	112.6	N89 F91 F131 H132 R136 L139 S212 H213 R349	N89-E134 PolarHBondContact ND2-OE1 3.23Å; F91-E134 WeakPolarHBondContact CE1-OE1 3.33Å; F91-E134 WeakPolarHBondContact CZ-OE1 3.42Å; F131-E134 HydrophobicContact CB-CB 4.21Å; F131-E134 HydrophobicContact CD2-CB 4.39Å; H132-E134 VanDerWaalsContact C-N 3.27Å; H132-E134 PolarHBondContact O-N 2.67Å; E134-R136 PolarHBondContact O-N 3.42Å; E134-L139 HydrophobicContact CB-CB 4.43Å; E134-L139 HydrophobicContact CG-CB 4.04Å; E134-S212 PolarHBondContact OE2-OG 2.84Å; E134-H213 IonicContact OE2-CE1 3.66Å; E134-H213 IonicContact OE2-CG 2.7Å; E134-H213 IonicContact OE2-ND1 2.77Å; E134-H213 PolarHBondContact OE2-ND1 2.96Å; E134-R349 IonicContact OE1-NH2 3.41Å; E134-R349 PolarHBondContact OE1-NH2 3.31Å; E134-R349 IonicContact OE2-NH2 3.86Å; E134-R349 PolarHBondContact OE2-NH2 2.84Å
135	A	98.4	Very high	98.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.			trans	-65.7	128	169.9	0	0	0	0	0	110	N89 F91 Q93 S137 A138 L139	N89-A135 PolarHBondContact ND2-N 3.22Å; F91-A135 HydrophobicContact CE2-CB 3.89Å; F91-A135 HydrophobicContact CZ-CB 3.66Å; Q93-A135 HydrophobicContact CG-CB 4.07Å; A135-S137 VanDerWaalsContact C-N 3.28Å; A135-S137 PolarHBondContact O-N 3.44Å; A135-A138 HydrophobicContact CB-CB 4.33Å; A135-A138 PolarHBondContact O-N 3.34Å; A135-L139 PolarHBondContact O-N 3.4Å
136	R	98.7	Very high	98.7	Very high	9 Å²	9	5.4 Å²	5.4	3%	0.034	3%	0.028	C	C	.	.	H	α-helix	trans	-50.5	-45.6	-179.5	-74.7	-165	178.3	-168.4	-5.5	113	Y73 V74 T77 E134 A138 L139 L140 N167 D170	Y73-R136 HydrophobicContact CD1-CB 3.99Å; Y73-R136 HydrophobicContact CE1-CB 3.43Å; Y73-R136 VanDerWaalsContact CE1-CB 3.43Å; Y73-R136 HydrophobicContact CE1-CG 3.85Å; Y73-R136 WeakPolarHBondContact CE1-O 3.27Å; Y73-R136 HydrophobicContact CE2-CG 4.18Å; Y73-R136 WeakPolarHBondContact O-CD 3.45Å; Y73-R136 PolarHBondContact O-NH1 3.19Å; V74-R136 HydrophobicContact CG2-CB 4.37Å; T77-R136 HydrophobicContact CG2-CG 4.29Å; T77-R136 WeakPolarHBondContact OG1-CD 3.39Å; E134-R136 PolarHBondContact O-N 3.42Å; R136-A138 PolarHBondContact O-N 3.03Å; R136-L139 PolarHBondContact O-N 3.43Å; R136-L140 VanDerWaalsContact O-CB 3.26Å; R136-L140 WeakPolarHBondContact O-CB 3.38Å; R136-L140 PolarHBondContact O-N 3.45Å; R136-N167 PolarHBondContact NH2-ND2 3.05Å; R136-N167 VanDerWaalsContact NH2-ND2 3.15Å; R136-D170 IonicContact CZ-OD1 2.74Å; R136-D170 IonicContact NE-OD1 3.87Å; R136-D170 PolarHBondContact NE-OD1 2.78Å; R136-D170 IonicContact NH2-OD1 3.87Å; R136-D170 PolarHBondContact NH2-OD1 3.39Å
137	S	98.8	Very high	98.7	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.014	3%	0.033	C	C	.	.	H	α-helix	trans	-60.8	-41.9	179.4	55.5	0	0	0	0	112.9	S96 D97 A135 R141	S96-S137 WeakPolarHBondContact CB-OG 3.49Å; S96-S137 PolarHBondContact OG-OG 3.49Å; D97-S137 WeakPolarHBondContact OD1-CB 3.45Å; D97-S137 PolarHBondContact OD1-OG 2.7Å; A135-S137 VanDerWaalsContact C-N 3.28Å; A135-S137 PolarHBondContact O-N 3.44Å; S137-R141 WeakPolarHBondContact O-CB 3.49Å; S137-R141 PolarHBondContact O-N 3.04Å; S137-R141 PolarHBondContact O-NH1 3.15Å
138	A	98.8	Very high	98.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.1	-43.3	179.1	0	0	0	0	0	112.3	F91 A135 R136 R141 T142 S212 H213	F91-A138 HydrophobicContact CZ-CB 4.1Å; A135-A138 HydrophobicContact CB-CB 4.33Å; A135-A138 PolarHBondContact O-N 3.34Å; R136-A138 PolarHBondContact O-N 3.03Å; A138-R141 PolarHBondContact O-N 3.35Å; A138-T142 PolarHBondContact O-N 3.06Å; A138-T142 PolarHBondContact O-OG1 3.26Å; A138-S212 CarbonylContact C-O 3.16Å; A138-H213 HydrophobicContact CB-CB 4.18Å
139	L	98.9	Very high	98.6	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-62.6	-48.2	177.4	179.7	62.7	0	0	0	111.4	I129 F131 E134 A135 R136 T142 V143 L160 L174 S212	I129-L139 HydrophobicContact CG2-CD1 4.41Å; F131-L139 HydrophobicContact CB-CD1 4.34Å; F131-L139 HydrophobicContact CD1-CD1 4.22Å; F131-L139 HydrophobicContact CD1-CD2 4.26Å; F131-L139 HydrophobicContact CD2-CD2 3.96Å; F131-L139 HydrophobicContact CE1-CD2 4.26Å; F131-L139 HydrophobicContact CE2-CD2 3.96Å; F131-L139 HydrophobicContact CG-CD1 4.22Å; F131-L139 HydrophobicContact CG-CD2 4.11Å; F131-L139 HydrophobicContact CZ-CD2 4.1Å; E134-L139 HydrophobicContact CB-CB 4.43Å; E134-L139 HydrophobicContact CG-CB 4.04Å; A135-L139 PolarHBondContact O-N 3.4Å; R136-L139 PolarHBondContact O-N 3.43Å; L139-T142 WeakPolarHBondContact O-CB 3.36Å; L139-T142 PolarHBondContact O-N 2.64Å; L139-V143 PolarHBondContact O-N 2.92Å; L139-V143 VanDerWaalsContact O-N 3.16Å; L139-L160 HydrophobicContact CD1-CD2 4.48Å; L139-L174 HydrophobicContact CD2-CD1 3.59Å; L139-L174 HydrophobicContact CG-CD1 3.61Å; L139-S212 WeakPolarHBondContact CA-O 3.38Å; L139-S212 PolarHBondContact N-O 3.4Å
140	L	98.9	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.8	-50.9	175.8	176	63.4	0	0	0	110.5	F68 Q70 Y73 M101 R136 T142 V143 I144 L174 I177	F68-L140 HydrophobicContact CD1-CD1 3.78Å; F68-L140 HydrophobicContact CD1-CD2 4.12Å; F68-L140 HydrophobicContact CE1-CD1 3.77Å; F68-L140 HydrophobicContact CE1-CD2 3.97Å; Q70-L140 HydrophobicContact CB-CD2 3.98Å; Q70-L140 HydrophobicContact CG-CD2 3.85Å; Y73-L140 HydrophobicContact CD1-CB 4.28Å; Y73-L140 HydrophobicContact CD1-CD2 4Å; Y73-L140 HydrophobicContact CE1-CB 3.93Å; Y73-L140 HydrophobicContact CE1-CD2 4.49Å; M101-L140 HydrophobicContact CB-CD2 3.78Å; M101-L140 HydrophobicContact CB-CG 3.84Å; M101-L140 HydrophobicContact CG-CD2 4.43Å; M101-L140 HydrophobicContact SD-CD1 4.22Å; M101-L140 HydrophobicContact SD-CD2 3.87Å; M101-L140 HydrophobicContact SD-CG 4.19Å; R136-L140 VanDerWaalsContact O-CB 3.26Å; R136-L140 WeakPolarHBondContact O-CB 3.38Å; R136-L140 PolarHBondContact O-N 3.45Å; L140-T142 PolarHBondContact O-N 2.98Å; L140-V143 WeakPolarHBondContact O-CB 3.42Å; L140-V143 PolarHBondContact O-N 2.98Å; L140-V143 VanDerWaalsContact O-N 3.07Å; L140-I144 HydrophobicContact CD1-CD1 4Å; L140-I144 HydrophobicContact CD1-CG1 3.71Å; L140-I144 HydrophobicContact CG-CG1 4.05Å; L140-I144 VanDerWaalsContact O-CG1 3.24Å; L140-I144 WeakPolarHBondContact O-CG1 3.43Å; L140-I144 PolarHBondContact O-N 2.85Å; L140-L174 HydrophobicContact CB-CD2 4.36Å; L140-L174 HydrophobicContact CD1-CD2 3.68Å; L140-I177 HydrophobicContact CD1-CD1 3.81Å
141	R	98.9	Very high	98.6	Very high	5 Å²	5	13.4 Å²	13.4	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-59.8	-33.5	-179.3	-173.6	168.2	60.7	-103	-3.7	112.7	S96 S137 A138 S145 E215	S96-R141 PolarHBondContact O-NH1 3.03Å; S96-R141 PolarHBondContact OG-NH1 3.21Å; S96-R141 PolarHBondContact OG-NH2 2.83Å; S96-R141 VanDerWaalsContact OG-NH2 3.16Å; S137-R141 WeakPolarHBondContact O-CB 3.49Å; S137-R141 PolarHBondContact O-N 3.04Å; S137-R141 PolarHBondContact O-NH1 3.15Å; A138-R141 PolarHBondContact O-N 3.35Å; R141-S145 VanDerWaalsContact O-CB 3.27Å; R141-S145 WeakPolarHBondContact O-CB 3.27Å; R141-S145 PolarHBondContact O-N 3.06Å; R141-S145 PolarHBondContact O-OG 3.39Å; R141-E215 VanDerWaalsContact CD-CD 3.44Å; R141-E215 WeakPolarHBondContact CD-OE1 3.24Å; R141-E215 HydrophobicContact CG-CG 3.89Å; R141-E215 IonicContact CZ-OE1 3.42Å; R141-E215 VanDerWaalsContact NE-CD 3.31Å; R141-E215 IonicContact NE-OE1 3.25Å; R141-E215 PolarHBondContact NE-OE1 3.45Å; R141-E215 IonicContact NE-OE2 3Å; R141-E215 IonicContact NH2-OE1 3.13Å
142	T	98.9	Very high	98.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-61.5	-53.6	171.8	-53.9	0	0	0	0	111.2	I129 A138 L139 L140 I144 S145 V146 S212 H213 C214	I129-T142 HydrophobicContact CD1-CG2 3.88Å; A138-T142 PolarHBondContact O-N 3.06Å; A138-T142 PolarHBondContact O-OG1 3.26Å; L139-T142 WeakPolarHBondContact O-CB 3.36Å; L139-T142 PolarHBondContact O-N 2.64Å; L140-T142 PolarHBondContact O-N 2.98Å; T142-I144 VanDerWaalsContact C-N 3.34Å; T142-I144 PolarHBondContact O-N 2.95Å; T142-S145 PolarHBondContact O-N 2.82Å; T142-S145 PolarHBondContact O-OG 3.28Å; T142-V146 WeakPolarHBondContact O-CG2 3.18Å; T142-V146 PolarHBondContact O-N 2.87Å; T142-V146 VanDerWaalsContact O-N 3.15Å; T142-S212 PolarHBondContact OG1-O 2.81Å; T142-S212 VanDerWaalsContact OG1-O 3.09Å; T142-H213 WeakPolarHBondContact OG1-CA 3.12Å; T142-H213 PolarHBondContact OG1-N 3.2Å; T142-C214 VanDerWaalsContact CA-O 3.22Å; T142-C214 WeakPolarHBondContact CA-O 3.46Å; T142-C214 HydrophobicContact CG2-CB 4.1Å; T142-C214 PolarHBondContact OG1-N 3.06Å; T142-C214 PolarHBondContact OG1-O 2.04Å; T142-C214 VanDerWaalsContact OG1-O 3.09Å
143	V	98.9	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.2	-46.9	178.4	172.7	0	0	0	0	111.5	I129 L139 L140 V146 L147 I158 L160 I177 V180	I129-V143 HydrophobicContact CD1-CG2 4.47Å; L139-V143 PolarHBondContact O-N 2.92Å; L139-V143 VanDerWaalsContact O-N 3.16Å; L140-V143 WeakPolarHBondContact O-CB 3.42Å; L140-V143 PolarHBondContact O-N 2.98Å; L140-V143 VanDerWaalsContact O-N 3.07Å; V143-V146 WeakPolarHBondContact O-CB 3.14Å; V143-V146 PolarHBondContact O-N 3.1Å; V143-L147 HydrophobicContact CG1-CD1 4.17Å; V143-L147 PolarHBondContact O-N 3.31Å; V143-L147 VanDerWaalsContact O-N 3.1Å; V143-I158 HydrophobicContact CG1-CD1 4.14Å; V143-L160 HydrophobicContact CG2-CD1 4.14Å; V143-L160 HydrophobicContact CG2-CD2 3.87Å; V143-I177 HydrophobicContact CG1-CD1 4.5Å; V143-V180 HydrophobicContact CG1-CG2 3.75Å
144	I	98.8	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.6	-39.4	-178.2	-59.1	-63	0	0	0	111.1	W65 M101 D102 L140 T142 V146 L147 K148 I177	W65-I144 HydrophobicContact CB-CD1 3.59Å; W65-I144 HydrophobicContact CD2-CD1 4.4Å; W65-I144 HydrophobicContact CD2-CG2 4.25Å; W65-I144 HydrophobicContact CE3-CD1 4.14Å; W65-I144 HydrophobicContact CE3-CG2 3.68Å; W65-I144 HydrophobicContact CG-CD1 4.24Å; W65-I144 HydrophobicContact CZ3-CG2 3.95Å; M101-I144 HydrophobicContact CB-CB 4.48Å; M101-I144 HydrophobicContact CB-CG1 4.03Å; M101-I144 HydrophobicContact CG-CG1 4.11Å; M101-I144 HydrophobicContact CG-CG2 4.35Å; M101-I144 WeakPolarHBondContact O-CB 3.33Å; M101-I144 WeakPolarHBondContact O-CG2 3.29Å; M101-I144 HydrophobicContact SD-CD1 4.03Å; M101-I144 HydrophobicContact SD-CG1 3.92Å; D102-I144 HydrophobicContact CB-CG2 3.83Å; L140-I144 HydrophobicContact CD1-CD1 4Å; L140-I144 HydrophobicContact CD1-CG1 3.71Å; L140-I144 HydrophobicContact CG-CG1 4.05Å; L140-I144 VanDerWaalsContact O-CG1 3.24Å; L140-I144 WeakPolarHBondContact O-CG1 3.43Å; L140-I144 PolarHBondContact O-N 2.85Å; T142-I144 VanDerWaalsContact C-N 3.34Å; T142-I144 PolarHBondContact O-N 2.95Å; I144-V146 VanDerWaalsContact C-N 3.29Å; I144-V146 PolarHBondContact O-N 3.32Å; I144-L147 PolarHBondContact O-N 2.85Å; I144-K148 WeakPolarHBondContact O-CB 3.5Å; I144-K148 PolarHBondContact O-N 2.9Å; I144-I177 HydrophobicContact CD1-CD1 4.43Å
145	S	98.9	Very high	98.6	Very high	12 Å²	12	21 Å²	21	8%	0.084	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-39.6	175.9	77.4	0	0	0	0	111.9	R141 T142 K149 C216	R141-S145 VanDerWaalsContact O-CB 3.27Å; R141-S145 WeakPolarHBondContact O-CB 3.27Å; R141-S145 PolarHBondContact O-N 3.06Å; R141-S145 PolarHBondContact O-OG 3.39Å; T142-S145 PolarHBondContact O-N 2.82Å; T142-S145 PolarHBondContact O-OG 3.28Å; S145-K149 WeakPolarHBondContact O-CB 3.22Å; S145-K149 WeakPolarHBondContact O-CG 3.46Å; S145-K149 PolarHBondContact O-N 3.15Å; S145-C216 PolarHBondContact OG-N 2.92Å
146	V	98.9	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-49.5	174.3	172.8	0	0	0	0	110.7	V127 T142 V143 I144 S150 V155 I158 L210 W220	V127-V146 HydrophobicContact CG1-CG1 4.42Å; V127-V146 HydrophobicContact CG1-CG2 4.34Å; V127-V146 HydrophobicContact CG2-CG1 3.99Å; T142-V146 WeakPolarHBondContact O-CG2 3.18Å; T142-V146 PolarHBondContact O-N 2.87Å; T142-V146 VanDerWaalsContact O-N 3.15Å; V143-V146 WeakPolarHBondContact O-CB 3.14Å; V143-V146 PolarHBondContact O-N 3.1Å; I144-V146 VanDerWaalsContact C-N 3.29Å; I144-V146 PolarHBondContact O-N 3.32Å; V146-S150 WeakPolarHBondContact O-CB 3.08Å; V146-S150 PolarHBondContact O-N 2.64Å; V146-S150 PolarHBondContact O-OG 3.26Å; V146-V155 HydrophobicContact CG1-CG1 4.45Å; V146-V155 HydrophobicContact CG1-CG2 4.29Å; V146-I158 HydrophobicContact CB-CD1 4.1Å; V146-I158 HydrophobicContact CG1-CD1 3.73Å; V146-I158 HydrophobicContact CG1-CG1 4.17Å; V146-L210 HydrophobicContact CG2-CD1 3.61Å; V146-W220 HydrophobicContact CG1-CZ2 4.49Å; V146-W220 HydrophobicContact CG2-CZ2 4.24Å
147	L	98.8	Very high	98.6	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.105	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-38.4	-178.5	-68.3	173.9	0	0	0	112.8	W65 V143 I144 I158 I177 E178 K179	W65-L147 HydrophobicContact CB-CD1 3.87Å; W65-L147 HydrophobicContact CG-CB 4.43Å; W65-L147 HydrophobicContact CG-CD1 4.33Å; V143-L147 HydrophobicContact CG1-CD1 4.17Å; V143-L147 PolarHBondContact O-N 3.31Å; V143-L147 VanDerWaalsContact O-N 3.1Å; I144-L147 PolarHBondContact O-N 2.85Å; L147-I158 HydrophobicContact CD1-CD1 4.37Å; L147-I158 HydrophobicContact CD2-CD1 3.68Å; L147-I158 HydrophobicContact CG-CD1 3.72Å; L147-I177 HydrophobicContact CD1-CG2 3.63Å; L147-E178 HydrophobicContact CD1-CG 4.26Å; L147-K179 HydrophobicContact CD2-CB 4.48Å; L147-K179 HydrophobicContact CD2-CD 4.14Å
148	K	98.6	Very high	98.6	Very high	85 Å²	85	27 Å²	27	37%	0.37	14%	0.136	S	C	.	.	H	α-helix	trans	-77	-36.7	-176.7	-178.7	170.1	-179.4	173.2	0	112.9	W65 D102 I144	W65-K148 HydrophobicContact CH2-CD 4.04Å; W65-K148 HydrophobicContact CH2-CG 4.47Å; W65-K148 HydrophobicContact CZ2-CB 4.25Å; W65-K148 HydrophobicContact CZ2-CD 4.33Å; W65-K148 HydrophobicContact CZ2-CG 4.26Å; D102-K148 HydrophobicContact CB-CD 3.91Å; D102-K148 PolarHBondContact O-NZ 3.33Å; D102-K148 IonicContact OD2-NZ 3.72Å; D102-K148 PolarHBondContact OD2-NZ 3.29Å; I144-K148 WeakPolarHBondContact O-CB 3.5Å; I144-K148 PolarHBondContact O-N 2.9Å
149	K	98.5	Very high	98.6	Very high	38 Å²	38	27 Å²	27	17%	0.165	14%	0.136	C	C	.	.	H	α-helix	trans	-102.9	1.9	-170.3	-59.4	-73.8	-167	138.1	0	114.2	S145 C216 D218	S145-K149 WeakPolarHBondContact O-CB 3.22Å; S145-K149 WeakPolarHBondContact O-CG 3.46Å; S145-K149 PolarHBondContact O-N 3.15Å; K149-C216 HydrophobicContact CB-CB 4.2Å; K149-C216 WeakPolarHBondContact CG-O 3.44Å; K149-D218 WeakPolarHBondContact CD-OD1 3.26Å; K149-D218 IonicContact NZ-OD1 3.9Å; K149-D218 PolarHBondContact NZ-OD1 3.46Å; K149-D218 IonicContact NZ-OD2 2.85Å
150	S	98.6	Very high	98.6	Very high	7 Å²	7	27 Å²	27	5%	0.049	14%	0.136	C	C	.	.	S	Bend	trans	-114.2	140.2	178.2	-45.1	0	0	0	0	110.6	V146 V155 W220	V146-S150 WeakPolarHBondContact O-CB 3.08Å; V146-S150 PolarHBondContact O-N 2.64Å; V146-S150 PolarHBondContact O-OG 3.26Å; S150-V155 VanDerWaalsContact CB-CG2 3.44Å; S150-W220 PolarHBondContact OG-NE1 2.58Å
151	P	98.2	Very high	98.6	Very high	30 Å²	30	27 Å²	27	20%	0.195	14%	0.136	C	C	.	.			trans	-55	128.6	169.3	-26.5	35.4	0	0	0	111.1	H153 L154 E222	P151-H153 VanDerWaalsContact C-N 3.26Å; P151-H153 PolarHBondContact O-N 3.09Å; P151-H153 VanDerWaalsContact O-N 3.12Å; P151-L154 HydrophobicContact CB-CD1 3.97Å; P151-L154 HydrophobicContact CB-CG 4.13Å; P151-L154 HydrophobicContact CG-CD1 3.86Å; P151-L154 PolarHBondContact O-N 2.96Å; P151-E222 HydrophobicContact CG-CG 4.11Å; P151-E222 WeakPolarHBondContact CG-OE1 3.39Å
152	P	97.4	Very high	98.6	Very high	97 Å²	97	26.8 Å²	26.8	63%	0.63	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-57.5	-33.5	-172.4	-30.2	35.7	0	0	0	114.5	L154 V155 K179	P152-L154 PolarHBondContact O-N 3.08Å; P152-V155 PolarHBondContact O-N 3.19Å; P152-K179 PolarHBondContact O-NZ 3.32Å
153	H	97.7	Very high	98.6	Very high	125 Å²	125	27.1 Å²	27.1	58%	0.579	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-70.6	-19.8	179.4	64.3	-85.2	0	0	0	113.4	P151	P151-H153 VanDerWaalsContact C-N 3.26Å; P151-H153 PolarHBondContact O-N 3.09Å; P151-H153 VanDerWaalsContact O-N 3.12Å
154	L	98.7	Very high	98.6	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-87.3	-18.5	179.3	-60.5	179	0	0	0	113.2	L122 A124 S125 P151 P152 L221 E222 L225	L122-L154 HydrophobicContact CB-CD1 4.49Å; L122-L154 HydrophobicContact CB-CD2 3.73Å; L122-L154 HydrophobicContact CD1-CD1 4.43Å; L122-L154 WeakPolarHBondContact O-CD2 3.46Å; A124-L154 CarbonylContact C-O 3.56Å; A124-L154 WeakPolarHBondContact CA-O 3.48Å; S125-L154 PolarHBondContact N-O 3.09Å; P151-L154 HydrophobicContact CB-CD1 3.97Å; P151-L154 HydrophobicContact CB-CG 4.13Å; P151-L154 HydrophobicContact CG-CD1 3.86Å; P151-L154 PolarHBondContact O-N 2.96Å; P152-L154 PolarHBondContact O-N 3.08Å; L154-L221 HydrophobicContact CB-CD2 3.98Å; L154-E222 HydrophobicContact CD1-CG 3.91Å; L154-L225 HydrophobicContact CB-CD1 4.12Å; L154-L225 HydrophobicContact CD1-CD1 4.04Å; L154-L225 HydrophobicContact CD2-CD1 4.23Å; L154-L225 HydrophobicContact CG-CD1 4.35Å
155	V	98.6	Very high	98.5	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	99.6	173.7	-177	0	0	0	0	108.5	V146 S150 P152 I158 K179 L221	V146-V155 HydrophobicContact CG1-CG1 4.45Å; V146-V155 HydrophobicContact CG1-CG2 4.29Å; S150-V155 VanDerWaalsContact CB-CG2 3.44Å; P152-V155 PolarHBondContact O-N 3.19Å; V155-I158 HydrophobicContact CG1-CD1 4.46Å; V155-I158 HydrophobicContact CG1-CG1 3.95Å; V155-K179 HydrophobicContact CB-CD 4.44Å; V155-K179 HydrophobicContact CG1-CD 4.15Å; V155-K179 WeakPolarHBondContact O-CD 3.43Å; V155-K179 PolarHBondContact O-NZ 3.42Å; V155-L221 HydrophobicContact CG2-CD2 4.27Å
156	K	98.6	Very high	98.4	Very high	121 Å²	121	38.2 Å²	38.2	53%	0.526	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-48.2	177.4	178.8	59.3	177.2	-179.8	0	110.7	A124 S125 A204	A124-K156 HydrophobicContact CB-CB 4.18Å; S125-K156 WeakPolarHBondContact O-CB 3.39Å; S125-K156 PolarHBondContact O-N 3.16Å; K156-A204 HydrophobicContact CB-CB 3.82Å; K156-A204 HydrophobicContact CG-CB 4.05Å
157	E	98.7	Very high	98.3	Very high	17 Å²	17	40.7 Å²	40.7	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	157.1	-178.3	56.5	-177.9	133.8	0	0	110.3	S126 V127 I159 K179 R181 T203	S126-E157 WeakPolarHBondContact OG-CG 3.5Å; S126-E157 PolarHBondContact OG-OE1 3.5Å; V127-E157 PolarHBondContact N-O 3.29Å; E157-I159 HydrophobicContact CG-CD1 4.23Å; E157-I159 HydrophobicContact CG-CG1 4.08Å; E157-I159 WeakPolarHBondContact OE2-CG1 3.34Å; E157-K179 WeakPolarHBondContact CA-O 3.4Å; E157-R181 IonicContact OE1-NH2 2.94Å; E157-R181 IonicContact OE2-CZ 2.64Å; E157-R181 IonicContact OE2-NE 2.73Å; E157-R181 PolarHBondContact OE2-NE 3.22Å; E157-R181 IonicContact OE2-NH1 3.5Å; E157-R181 IonicContact OE2-NH2 3.54Å; E157-R181 PolarHBondContact OE2-NH2 2.8Å; E157-T203 VanDerWaalsContact OE1-CB 3.27Å; E157-T203 WeakPolarHBondContact OE1-CB 3.46Å; E157-T203 WeakPolarHBondContact OE1-CG2 3.38Å; E157-T203 PolarHBondContact OE1-N 3.3Å; E157-T203 PolarHBondContact OE1-OG1 2.7Å
158	I	98.9	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.7	169.1	-58.5	175.8	0	0	0	107.1	V127 I129 V143 V146 L147 V155 L160 K179 V180 R181	V127-I158 HydrophobicContact CB-CG1 4.32Å; V127-I158 CarbonylContact O-C 3.45Å; V127-I158 WeakPolarHBondContact O-CA 3.39Å; I129-I158 HydrophobicContact CD1-CG2 4.02Å; V143-I158 HydrophobicContact CG1-CD1 4.14Å; V146-I158 HydrophobicContact CB-CD1 4.1Å; V146-I158 HydrophobicContact CG1-CD1 3.73Å; V146-I158 HydrophobicContact CG1-CG1 4.17Å; L147-I158 HydrophobicContact CD1-CD1 4.37Å; L147-I158 HydrophobicContact CD2-CD1 3.68Å; L147-I158 HydrophobicContact CG-CD1 3.72Å; V155-I158 HydrophobicContact CG1-CD1 4.46Å; V155-I158 HydrophobicContact CG1-CG1 3.95Å; I158-L160 HydrophobicContact CG2-CD2 4.01Å; I158-K179 PolarHBondContact N-O 3.34Å; I158-V180 HydrophobicContact CB-CG2 4.34Å; I158-V180 CarbonylContact O-C 3.46Å; I158-V180 WeakPolarHBondContact O-CA 3.36Å; I158-R181 PolarHBondContact O-N 2.87Å
159	I	98.9	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	104.6	-178.9	-56.1	168.9	0	0	0	108	V127 V128 I129 E157 V161 R181 L183 G198 A202	V127-I159 PolarHBondContact O-N 3.26Å; V128-I159 WeakPolarHBondContact CA-O 3.31Å; V128-I159 HydrophobicContact CG2-CB 4.43Å; V128-I159 HydrophobicContact CG2-CD1 4.34Å; I129-I159 PolarHBondContact N-O 3.24Å; E157-I159 HydrophobicContact CG-CD1 4.23Å; E157-I159 HydrophobicContact CG-CG1 4.08Å; E157-I159 WeakPolarHBondContact OE2-CG1 3.34Å; I159-V161 HydrophobicContact CG2-CG2 4Å; I159-R181 CarbonylContact C-O 3.46Å; I159-R181 WeakPolarHBondContact CA-O 3.37Å; I159-R181 VanDerWaalsContact CD1-NH2 3.27Å; I159-L183 HydrophobicContact CG2-CD1 3.63Å; I159-L183 HydrophobicContact CG2-CG 4.02Å; I159-G198 WeakPolarHBondContact CD1-O 3.45Å; I159-A202 HydrophobicContact CD1-CB 3.89Å
160	L	98.9	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.1	171.4	-60.2	-173.1	0	0	0	108.8	I129 F131 L139 V143 I158 L174 V180 R181 V182 L183	I129-L160 HydrophobicContact CB-CD2 3.73Å; I129-L160 HydrophobicContact CD1-CD2 4.04Å; I129-L160 HydrophobicContact CG1-CD2 4.31Å; I129-L160 HydrophobicContact CG2-CD2 4.24Å; I129-L160 CarbonylContact O-C 3.5Å; I129-L160 WeakPolarHBondContact O-CA 3.35Å; F131-L160 HydrophobicContact CE1-CB 4.12Å; L139-L160 HydrophobicContact CD1-CD2 4.48Å; V143-L160 HydrophobicContact CG2-CD1 4.14Å; V143-L160 HydrophobicContact CG2-CD2 3.87Å; I158-L160 HydrophobicContact CG2-CD2 4.01Å; L160-L174 HydrophobicContact CD1-CB 3.84Å; L160-L174 HydrophobicContact CD1-CD1 3.81Å; L160-L174 HydrophobicContact CD1-CG 4.5Å; L160-V180 HydrophobicContact CD1-CG1 3.7Å; L160-V180 HydrophobicContact CG-CG1 3.88Å; L160-R181 PolarHBondContact N-O 3.13Å; L160-V182 HydrophobicContact CB-CG2 4.31Å; L160-V182 HydrophobicContact CD1-CG2 4.46Å; L160-V182 CarbonylContact O-C 3.51Å; L160-V182 WeakPolarHBondContact O-CA 3.09Å; L160-L183 PolarHBondContact O-N 2.75Å
161	V	98.9	Very high	98.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	102.2	174.7	-171.2	0	0	0	0	108.6	V128 I129 T130 F131 I159 D163 L183	V128-V161 HydrophobicContact CG1-CG2 4.26Å; I129-V161 PolarHBondContact O-N 2.84Å; T130-V161 CarbonylContact C-O 3.13Å; T130-V161 WeakPolarHBondContact CA-O 3.5Å; T130-V161 HydrophobicContact CG2-CB 4.07Å; T130-V161 HydrophobicContact CG2-CG2 4.46Å; F131-V161 PolarHBondContact N-O 3.5Å; I159-V161 HydrophobicContact CG2-CG2 4Å; V161-D163 PolarHBondContact O-N 2.94Å; V161-L183 CarbonylContact C-O 3.34Å; V161-L183 VanDerWaalsContact CA-O 3.29Å; V161-L183 WeakPolarHBondContact CA-O 3.48Å; V161-L183 HydrophobicContact CG2-CD1 4.48Å
162	D	98.8	Very high	98.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	103.1	173.9	-178.3	0.7	0	0	0	109.4	F131 Y164 S165 L183 R184 N185	F131-D162 VanDerWaalsContact CE1-CA 3.5Å; F131-D162 HydrophobicContact CE1-CB 3.63Å; F131-D162 HydrophobicContact CE2-CB 4.1Å; F131-D162 HydrophobicContact CZ-CB 3.38Å; D162-Y164 PolarHBondContact O-N 2.82Å; D162-Y164 PolarHBondContact OD1-N 2.82Å; D162-S165 WeakPolarHBondContact OD1-CB 3.35Å; D162-S165 PolarHBondContact OD1-N 2.81Å; D162-S165 PolarHBondContact OD1-OG 3.34Å; D162-L183 PolarHBondContact N-O 3.5Å; D162-R184 HydrophobicContact CB-CB 4.15Å; D162-R184 HydrophobicContact CB-CG 4.17Å; D162-R184 VanDerWaalsContact CG-NH1 3.34Å; D162-R184 IonicContact OD1-NH1 2.99Å; D162-R184 PolarHBondContact OD1-NH1 2.97Å; D162-R184 IonicContact OD2-CZ 2.87Å; D162-R184 IonicContact OD2-NH1 2.73Å; D162-R184 PolarHBondContact OD2-NH1 2.73Å; D162-N185 PolarHBondContact O-N 3.29Å
163	D	98.4	Very high	98.3	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.048	20%	0.195	C	C	.	.			trans	-81.5	61.3	179.3	-173.5	33.9	0	0	0	111.3	F131 H132 V161 N185 E189 G190 S194	F131-D163 WeakPolarHBondContact O-CB 3.44Å; F131-D163 PolarHBondContact O-N 3.01Å; H132-D163 HydrophobicContact CB-CB 4.3Å; H132-D163 PolarHBondContact ND1-O 2.63Å; V161-D163 PolarHBondContact O-N 2.94Å; D163-N185 PolarHBondContact OD1-ND2 2.76Å; D163-E189 PolarHBondContact OD1-N 2.91Å; D163-G190 PolarHBondContact OD1-N 2.79Å; D163-G190 WeakPolarHBondContact OD2-CA 3.34Å; D163-G190 PolarHBondContact OD2-N 3Å; D163-S194 WeakPolarHBondContact CB-OG 3.45Å; D163-S194 VanDerWaalsContact CG-OG 3.31Å; D163-S194 PolarHBondContact OD1-OG 3.25Å
164	Y	98.1	Very high	98.3	Very high	111 Å²	111	32.7 Å²	32.7	44%	0.435	17%	0.168	S	C	.	.	S	Bend	trans	59.2	50.6	175.4	-164.3	-108.5	0	0	0	113.1	H132 D162 N186 R188	H132-Y164 PolarHBondContact CE1-O 2.78Å; H132-Y164 PolarHBondContact ND1-O 2.96Å; D162-Y164 PolarHBondContact O-N 2.82Å; D162-Y164 PolarHBondContact OD1-N 2.82Å; Y164-N186 VanDerWaalsContact CE2-O 3.3Å; Y164-N186 WeakPolarHBondContact CE2-O 3.36Å; Y164-R188 HydrophobicContact CD1-CB 4.22Å
165	S	97.9	Very high	98.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	18%	0.177	C	C	.	.			trans	-62.7	150.8	170.1	-54.8	0	0	0	0	110.9	F131 N133 D162 N167 R184	F131-S165 WeakPolarHBondContact CE2-OG 3.11Å; N133-S165 PolarHBondContact N-OG 3.29Å; N133-S165 VanDerWaalsContact OD1-CA 3.3Å; N133-S165 WeakPolarHBondContact OD1-CA 3.45Å; N133-S165 WeakPolarHBondContact OD1-CB 3.33Å; D162-S165 WeakPolarHBondContact OD1-CB 3.35Å; D162-S165 PolarHBondContact OD1-N 2.81Å; D162-S165 PolarHBondContact OD1-OG 3.34Å; S165-N167 PolarHBondContact O-N 2.79Å; S165-R184 PolarHBondContact O-NH1 3.47Å; S165-R184 PolarHBondContact O-NH2 3.18Å
166	D	96.8	Very high	98.2	Very high	132 Å²	132	38.6 Å²	38.6	71%	0.706	20%	0.199	S	C	*	.	S	Bend	trans	-61.3	-34.4	-179.2	-59.6	-26.6	0	0	0	111.3	N133	N133-D166 VanDerWaalsContact ND2-CG 3.32Å; N133-D166 PolarHBondContact ND2-OD1 2.99Å; N133-D166 PolarHBondContact ND2-OD2 3.37Å; N133-D166 PolarHBondContact OD1-N 2.85Å
167	N	97.3	Very high	98.2	Very high	53 Å²	53	32.9 Å²	32.9	28%	0.283	17%	0.174	S	C	.	.			trans	-111.7	106.2	176.3	-170.5	-8.5	0	0	0	111.4	R136 S165 E169 D170	R136-N167 PolarHBondContact NH2-ND2 3.05Å; R136-N167 VanDerWaalsContact NH2-ND2 3.15Å; S165-N167 PolarHBondContact O-N 2.79Å; N167-E169 PolarHBondContact O-N 3.48Å; N167-E169 VanDerWaalsContact OD1-CB 3.31Å; N167-E169 WeakPolarHBondContact OD1-CB 3.3Å; N167-E169 PolarHBondContact OD1-N 2.67Å; N167-D170 WeakPolarHBondContact O-CB 3.47Å; N167-D170 PolarHBondContact O-N 3.45Å
168	P	97.8	Very high	98.2	Very high	55 Å²	55	32.8 Å²	32.8	36%	0.357	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.2	177.3	-20.9	30.8	0	0	0	114.1	D170 G171 A172	P168-D170 PolarHBondContact O-N 2.87Å; P168-G171 PolarHBondContact O-N 3.41Å; P168-A172 WeakPolarHBondContact O-CB 3.36Å; P168-A172 PolarHBondContact O-N 2.85Å
169	E	98.3	Very high	98.1	Very high	87 Å²	87	36 Å²	36	41%	0.407	19%	0.187	S	C	.	.	H	α-helix	trans	-68.5	-19.1	-179	-64.9	-61.4	113.2	0	0	112.7	N167 G171 L173	N167-E169 PolarHBondContact O-N 3.48Å; N167-E169 VanDerWaalsContact OD1-CB 3.31Å; N167-E169 WeakPolarHBondContact OD1-CB 3.3Å; N167-E169 PolarHBondContact OD1-N 2.67Å; E169-G171 PolarHBondContact O-N 2.92Å; E169-L173 HydrophobicContact CB-CD1 4.04Å; E169-L173 HydrophobicContact CB-CG 4.18Å; E169-L173 WeakPolarHBondContact O-CB 3.41Å; E169-L173 WeakPolarHBondContact O-CG 3.48Å; E169-L173 PolarHBondContact O-N 2.66Å; E169-L173 WeakPolarHBondContact OE2-CD2 3.25Å; E169-L173 WeakPolarHBondContact OE2-CG 3.33Å
170	D	98.1	Very high	98.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-40.6	175.2	-66.6	-5.3	0	0	0	110.1	Y73 R88 F131 R136 N167 P168	Y73-D170 PolarHBondContact OH-O 3.48Å; R88-D170 IonicContact NH2-OD2 3.26Å; R88-D170 PolarHBondContact NH2-OD2 3.49Å; F131-D170 HydrophobicContact CE2-CB 4.33Å; R136-D170 IonicContact CZ-OD1 2.74Å; R136-D170 IonicContact NE-OD1 3.87Å; R136-D170 PolarHBondContact NE-OD1 2.78Å; R136-D170 IonicContact NH2-OD1 3.87Å; R136-D170 PolarHBondContact NH2-OD1 3.39Å; N167-D170 WeakPolarHBondContact O-CB 3.47Å; N167-D170 PolarHBondContact O-N 3.45Å; P168-D170 PolarHBondContact O-N 2.87Å
171	G	98.2	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-87.3	-49.7	171.7	0	0	0	0	0	113.5	P168 E169 L173 L174 G175 V182	P168-G171 PolarHBondContact O-N 3.41Å; E169-G171 PolarHBondContact O-N 2.92Å; G171-L173 VanDerWaalsContact C-N 3.29Å; G171-L173 PolarHBondContact O-N 3.5Å; G171-L174 WeakPolarHBondContact O-CB 3.26Å; G171-L174 PolarHBondContact O-N 3.32Å; G171-G175 PolarHBondContact O-N 2.97Å; G171-V182 VanDerWaalsContact O-CG2 3.31Å; G171-V182 WeakPolarHBondContact O-CG2 3.3Å
172	A	98.1	Very high	98.1	Very high	48 Å²	48	42.1 Å²	42.1	40%	0.397	22%	0.216	S	C	.	.	H	α-helix	trans	-58.4	-37.7	-168	0	0	0	0	0	113.4	P168 L174 G175	P168-A172 WeakPolarHBondContact O-CB 3.36Å; P168-A172 PolarHBondContact O-N 2.85Å; A172-L174 PolarHBondContact O-N 3.46Å; A172-G175 WeakPolarHBondContact O-CA 3.36Å; A172-G175 PolarHBondContact O-N 2.89Å; A172-G175 VanDerWaalsContact O-N 3.13Å
173	L	98.3	Very high	98.1	Very high	42 Å²	42	44.1 Å²	44.1	22%	0.22	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-36.9	177.8	-67.1	173.9	0	0	0	112.5	Y73 E169 G171 G175 K176	Y73-L173 HydrophobicContact CD2-CB 3.9Å; Y73-L173 HydrophobicContact CD2-CD1 3.84Å; Y73-L173 HydrophobicContact CE2-CB 4Å; Y73-L173 HydrophobicContact CE2-CD1 4.26Å; E169-L173 HydrophobicContact CB-CD1 4.04Å; E169-L173 HydrophobicContact CB-CG 4.18Å; E169-L173 WeakPolarHBondContact O-CB 3.41Å; E169-L173 WeakPolarHBondContact O-CG 3.48Å; E169-L173 PolarHBondContact O-N 2.66Å; E169-L173 WeakPolarHBondContact OE2-CD2 3.25Å; E169-L173 WeakPolarHBondContact OE2-CG 3.33Å; G171-L173 VanDerWaalsContact C-N 3.29Å; G171-L173 PolarHBondContact O-N 3.5Å; L173-G175 PolarHBondContact O-N 3.47Å; L173-K176 PolarHBondContact O-N 3.2Å
174	L	98.6	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-68	-22.6	174.8	-60.5	-176.8	0	0	0	112	F68 Y73 L139 L140 L160 G171 A172 K176 I177 V180	F68-L174 HydrophobicContact CE1-CD2 4.05Å; F68-L174 HydrophobicContact CE2-CD2 4.41Å; F68-L174 HydrophobicContact CZ-CD2 3.73Å; Y73-L174 HydrophobicContact CD1-CD2 4.3Å; Y73-L174 HydrophobicContact CD2-CD2 4.49Å; Y73-L174 HydrophobicContact CE1-CD2 3.8Å; Y73-L174 HydrophobicContact CE1-CG 4.36Å; Y73-L174 HydrophobicContact CE2-CD2 4.04Å; Y73-L174 HydrophobicContact CE2-CG 4.1Å; Y73-L174 WeakPolarHBondContact OH-CD1 3.25Å; L139-L174 HydrophobicContact CD2-CD1 3.59Å; L139-L174 HydrophobicContact CG-CD1 3.61Å; L140-L174 HydrophobicContact CB-CD2 4.36Å; L140-L174 HydrophobicContact CD1-CD2 3.68Å; L160-L174 HydrophobicContact CD1-CB 3.84Å; L160-L174 HydrophobicContact CD1-CD1 3.81Å; L160-L174 HydrophobicContact CD1-CG 4.5Å; G171-L174 WeakPolarHBondContact O-CB 3.26Å; G171-L174 PolarHBondContact O-N 3.32Å; A172-L174 PolarHBondContact O-N 3.46Å; L174-K176 PolarHBondContact O-N 3.09Å; L174-I177 HydrophobicContact CB-CD1 4.46Å; L174-I177 HydrophobicContact CD2-CD1 3.83Å; L174-I177 WeakPolarHBondContact O-CB 3.24Å; L174-I177 PolarHBondContact O-N 2.75Å; L174-V180 WeakPolarHBondContact O-CB 3.45Å; L174-V180 WeakPolarHBondContact O-CG1 3.2Å
175	G	97.8	Very high	98.1	Very high	21 Å²	21	43.5 Å²	43.5	22%	0.216	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59	-10.9	171.3	0	0	0	0	0	114.3	K62 G171 A172 L173	K62-G175 PolarHBondContact NZ-O 3.33Å; G171-G175 PolarHBondContact O-N 2.97Å; A172-G175 WeakPolarHBondContact O-CA 3.36Å; A172-G175 PolarHBondContact O-N 2.89Å; A172-G175 VanDerWaalsContact O-N 3.13Å; L173-G175 PolarHBondContact O-N 3.47Å
176	K	97.9	Very high	98.1	Very high	112 Å²	112	50.8 Å²	50.8	49%	0.487	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-82.2	-18.7	171.4	-62.9	178.5	-178.5	175.5	0	113	K62 V63 L173 L174	K62-K176 CarbonylContact C-O 3.45Å; K62-K176 WeakPolarHBondContact CA-O 3.42Å; K62-K176 WeakPolarHBondContact CD-O 3.28Å; V63-K176 PolarHBondContact N-O 2.75Å; L173-K176 PolarHBondContact O-N 3.2Å; L174-K176 PolarHBondContact O-N 3.09Å
177	I	98.6	Very high	98.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-70.6	145.2	179.7	-59	170.7	0	0	0	109.5	K62 W65 F68 L140 V143 I144 L147 L174 K179 V180	K62-I177 PolarHBondContact NZ-O 3.39Å; W65-I177 HydrophobicContact CB-CG2 4.01Å; F68-I177 HydrophobicContact CB-CD1 4.45Å; F68-I177 HydrophobicContact CB-CG1 4.27Å; F68-I177 HydrophobicContact CD1-CD1 4.23Å; F68-I177 HydrophobicContact CD2-CD1 3.78Å; F68-I177 HydrophobicContact CD2-CG1 3.43Å; F68-I177 VanDerWaalsContact CD2-CG1 3.43Å; F68-I177 HydrophobicContact CE1-CD1 4.45Å; F68-I177 HydrophobicContact CE2-CD1 4.02Å; F68-I177 HydrophobicContact CE2-CG1 3.89Å; F68-I177 HydrophobicContact CG-CD1 3.88Å; F68-I177 HydrophobicContact CG-CG1 3.89Å; F68-I177 HydrophobicContact CZ-CD1 4.36Å; L140-I177 HydrophobicContact CD1-CD1 3.81Å; V143-I177 HydrophobicContact CG1-CD1 4.5Å; I144-I177 HydrophobicContact CD1-CD1 4.43Å; L147-I177 HydrophobicContact CD1-CG2 3.63Å; L174-I177 HydrophobicContact CB-CD1 4.46Å; L174-I177 HydrophobicContact CD2-CD1 3.83Å; L174-I177 WeakPolarHBondContact O-CB 3.24Å; L174-I177 PolarHBondContact O-N 2.75Å; I177-K179 PolarHBondContact O-N 3.25Å; I177-V180 HydrophobicContact CB-CB 4.38Å; I177-V180 HydrophobicContact CB-CG2 3.81Å; I177-V180 HydrophobicContact CG2-CG2 4Å; I177-V180 PolarHBondContact O-N 3.03Å
178	E	97.7	Very high	98	Very high	16 Å²	16	52.4 Å²	52.4	8%	0.075	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	139.6	174.2	68.8	-175	126.7	0	0	111.8	L58 V63 R64 W65 L147 V180	L58-E178 HydrophobicContact CD1-CB 4.5Å; L58-E178 HydrophobicContact CD2-CB 3.79Å; V63-E178 PolarHBondContact O-N 3.45Å; R64-E178 VanDerWaalsContact CD-OE1 3.27Å; R64-E178 WeakPolarHBondContact CD-OE1 3.49Å; R64-E178 WeakPolarHBondContact CD-OE2 3.38Å; R64-E178 IonicContact CZ-OE2 2.8Å; R64-E178 IonicContact NE-OE2 2.72Å; R64-E178 IonicContact NH1-OE2 3.44Å; R64-E178 PolarHBondContact NH1-OE2 2.8Å; W65-E178 VanDerWaalsContact CD1-OE1 3.32Å; W65-E178 PolarHBondContact N-OE1 2.9Å; L147-E178 HydrophobicContact CD1-CG 4.26Å; E178-V180 PolarHBondContact O-N 2.54Å
179	K	97.9	Very high	97.9	Very high	66 Å²	66	51.6 Å²	51.6	29%	0.287	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-7.5	-179.7	-52.2	-177.1	175.2	-172.3	0	117.2	L147 P152 V155 E157 I158 I177	L147-K179 HydrophobicContact CD2-CB 4.48Å; L147-K179 HydrophobicContact CD2-CD 4.14Å; P152-K179 PolarHBondContact O-NZ 3.32Å; V155-K179 HydrophobicContact CB-CD 4.44Å; V155-K179 HydrophobicContact CG1-CD 4.15Å; V155-K179 WeakPolarHBondContact O-CD 3.43Å; V155-K179 PolarHBondContact O-NZ 3.42Å; E157-K179 WeakPolarHBondContact CA-O 3.4Å; I158-K179 PolarHBondContact N-O 3.34Å; I177-K179 PolarHBondContact O-N 3.25Å
180	V	98.7	Very high	97.8	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.2	179.3	-179.1	0	0	0	0	110.8	K62 V143 I158 L160 L174 I177 E178 V182	K62-V180 PolarHBondContact NZ-O 2.99Å; V143-V180 HydrophobicContact CG1-CG2 3.75Å; I158-V180 HydrophobicContact CB-CG2 4.34Å; I158-V180 CarbonylContact O-C 3.46Å; I158-V180 WeakPolarHBondContact O-CA 3.36Å; L160-V180 HydrophobicContact CD1-CG1 3.7Å; L160-V180 HydrophobicContact CG-CG1 3.88Å; L174-V180 WeakPolarHBondContact O-CB 3.45Å; L174-V180 WeakPolarHBondContact O-CG1 3.2Å; I177-V180 HydrophobicContact CB-CB 4.38Å; I177-V180 HydrophobicContact CB-CG2 3.81Å; I177-V180 HydrophobicContact CG2-CG2 4Å; I177-V180 PolarHBondContact O-N 3.03Å; E178-V180 PolarHBondContact O-N 2.54Å; V180-V182 HydrophobicContact CG1-CG2 4.25Å
181	R	98.5	Very high	97.6	Very high	85 Å²	85	48.6 Å²	48.6	32%	0.321	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.4	169.2	-175	172.4	59.8	172.2	-6.1	108.3	E157 I158 I159 L160 A201	E157-R181 IonicContact OE1-NH2 2.94Å; E157-R181 IonicContact OE2-CZ 2.64Å; E157-R181 IonicContact OE2-NE 2.73Å; E157-R181 PolarHBondContact OE2-NE 3.22Å; E157-R181 IonicContact OE2-NH1 3.5Å; E157-R181 IonicContact OE2-NH2 3.54Å; E157-R181 PolarHBondContact OE2-NH2 2.8Å; I158-R181 PolarHBondContact O-N 2.87Å; I159-R181 CarbonylContact C-O 3.46Å; I159-R181 WeakPolarHBondContact CA-O 3.37Å; I159-R181 VanDerWaalsContact CD1-NH2 3.27Å; L160-R181 PolarHBondContact N-O 3.13Å; R181-A201 VanDerWaalsContact NH2-C 3.32Å; R181-A201 PolarHBondContact NH2-O 2.88Å
182	V	98.8	Very high	97.5	Very high	41 Å²	41	48.6 Å²	48.6	25%	0.248	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.2	-177.9	-174.8	0	0	0	0	108.9	L160 G171 V180	L160-V182 HydrophobicContact CB-CG2 4.31Å; L160-V182 HydrophobicContact CD1-CG2 4.46Å; L160-V182 CarbonylContact O-C 3.51Å; L160-V182 WeakPolarHBondContact O-CA 3.09Å; G171-V182 VanDerWaalsContact O-CG2 3.31Å; G171-V182 WeakPolarHBondContact O-CG2 3.3Å; V180-V182 HydrophobicContact CG1-CG2 4.25Å
183	L	98.8	Very high	97.5	Very high	42 Å²	42	48.6 Å²	48.6	22%	0.22	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.9	171.3	-55.9	179	0	0	0	107	I159 L160 V161 D162 A201	I159-L183 HydrophobicContact CG2-CD1 3.63Å; I159-L183 HydrophobicContact CG2-CG 4.02Å; L160-L183 PolarHBondContact O-N 2.75Å; V161-L183 CarbonylContact C-O 3.34Å; V161-L183 VanDerWaalsContact CA-O 3.29Å; V161-L183 WeakPolarHBondContact CA-O 3.48Å; V161-L183 HydrophobicContact CG2-CD1 4.48Å; D162-L183 PolarHBondContact N-O 3.5Å; L183-A201 HydrophobicContact CD1-CB 3.58Å
184	R	98.4	Very high	97.6	Very high	88 Å²	88	46.6 Å²	46.6	33%	0.332	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.6	177.6	179.8	172.4	170	89.2	1.7	110.2	D162 S165	D162-R184 HydrophobicContact CB-CB 4.15Å; D162-R184 HydrophobicContact CB-CG 4.17Å; D162-R184 VanDerWaalsContact CG-NH1 3.34Å; D162-R184 IonicContact OD1-NH1 2.99Å; D162-R184 PolarHBondContact OD1-NH1 2.97Å; D162-R184 IonicContact OD2-CZ 2.87Å; D162-R184 IonicContact OD2-NH1 2.73Å; D162-R184 PolarHBondContact OD2-NH1 2.73Å; S165-R184 PolarHBondContact O-NH1 3.47Å; S165-R184 PolarHBondContact O-NH2 3.18Å
185	N	98.3	Very high	97.6	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.102	21%	0.213	C	C	.	.			trans	-72.1	141.3	171.6	-65.4	-21.3	0	0	0	110	D162 D163 R187 E189 S194	D162-N185 PolarHBondContact O-N 3.29Å; D163-N185 PolarHBondContact OD1-ND2 2.76Å; N185-R187 VanDerWaalsContact CB-O 3.24Å; N185-R187 WeakPolarHBondContact CB-O 3.48Å; N185-R187 PolarHBondContact O-N 3.11Å; N185-E189 HydrophobicContact CB-CG 4.23Å; N185-S194 PolarHBondContact ND2-OG 2.97Å
186	N	97.1	Very high	97.6	Very high	155 Å²	155	45.9 Å²	45.9	83%	0.829	20%	0.204	S	C	*	.	S	Bend	trans	-79.3	-7.2	179.2	-66.6	-27	0	0	0	113.5	Y164	Y164-N186 VanDerWaalsContact CE2-O 3.3Å; Y164-N186 WeakPolarHBondContact CE2-O 3.36Å
187	R	96.3	Very high	97.6	Very high	165 Å²	165	42.9 Å²	42.9	62%	0.623	20%	0.196	S	C	*	.	S	Bend	trans	-155.2	166.1	174.4	64.6	-177	-178.7	-164.6	-1.6	108.4	N185 E189	N185-R187 VanDerWaalsContact CB-O 3.24Å; N185-R187 WeakPolarHBondContact CB-O 3.48Å; N185-R187 PolarHBondContact O-N 3.11Å; R187-E189 HydrophobicContact CG-CG 4.43Å; R187-E189 WeakPolarHBondContact CG-OE1 3.47Å; R187-E189 IonicContact CZ-OE1 3.32Å; R187-E189 IonicContact NE-OE1 3.64Å; R187-E189 PolarHBondContact NE-OE1 3.41Å; R187-E189 IonicContact NH2-OE1 3.34Å; R187-E189 PolarHBondContact NH2-OE1 3.43Å; R187-E189 VanDerWaalsContact NH2-OE1 3.1Å; R187-E189 PolarHBondContact O-N 3.02Å
188	R	95.7	Very high	97.6	Very high	53 Å²	53	42.9 Å²	42.9	20%	0.2	20%	0.196	C	C	.	.			trans	-71.9	111.6	177.5	-169.6	165.1	177.9	-121.7	1.9	111	Y164 V317 Y354 T355	Y164-R188 HydrophobicContact CD1-CB 4.22Å; R188-V317 VanDerWaalsContact NH2-CG1 3.29Å; R188-Y354 VanDerWaalsContact NH2-CD2 3.29Å; R188-T355 PolarHBondContact NH1-O 2.69Å; R188-T355 PolarHBondContact NH1-OG1 3.19Å; R188-T355 PolarHBondContact NH2-O 2.71Å
189	E	96.8	Very high	97.7	Very high	39 Å²	39	42.1 Å²	42.1	18%	0.182	19%	0.193	C	C	.	.			trans	-98.6	-26.1	-177.9	-67.9	-66.6	174.6	0	0	112	D163 N185 R187 R193	D163-E189 PolarHBondContact OD1-N 2.91Å; N185-E189 HydrophobicContact CB-CG 4.23Å; R187-E189 HydrophobicContact CG-CG 4.43Å; R187-E189 WeakPolarHBondContact CG-OE1 3.47Å; R187-E189 IonicContact CZ-OE1 3.32Å; R187-E189 IonicContact NE-OE1 3.64Å; R187-E189 PolarHBondContact NE-OE1 3.41Å; R187-E189 IonicContact NH2-OE1 3.34Å; R187-E189 PolarHBondContact NH2-OE1 3.43Å; R187-E189 VanDerWaalsContact NH2-OE1 3.1Å; R187-E189 PolarHBondContact O-N 3.02Å; E189-R193 HydrophobicContact CB-CB 3.91Å; E189-R193 PolarHBondContact O-NE 3.12Å; E189-R193 PolarHBondContact O-NH2 2.59Å; E189-R193 WeakPolarHBondContact OE2-CD 3.48Å; E189-R193 IonicContact OE2-CZ 2.72Å; E189-R193 IonicContact OE2-NE 3.55Å; E189-R193 PolarHBondContact OE2-NE 3.34Å; E189-R193 IonicContact OE2-NH2 3.45Å
190	G	94.9	Very high	97.7	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	87.6	169.8	-174.3	0	0	0	0	0	113.3	D163 M192 S194	D163-G190 PolarHBondContact OD1-N 2.79Å; D163-G190 WeakPolarHBondContact OD2-CA 3.34Å; D163-G190 PolarHBondContact OD2-N 3Å; G190-M192 PolarHBondContact O-N 2.94Å; G190-S194 VanDerWaalsContact O-CB 3.23Å; G190-S194 WeakPolarHBondContact O-CB 3.35Å; G190-S194 PolarHBondContact O-N 3.15Å; G190-S194 PolarHBondContact O-OG 3.45Å
191	L	94.3	Very high	97.7	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.115	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-50.3	-170.3	179.2	62	0	0	0	112.8	T130 S194 R195 V317	T130-L191 HydrophobicContact CG2-CD1 4.47Å; T130-L191 WeakPolarHBondContact OG1-CD1 3.3Å; L191-S194 PolarHBondContact O-N 2.87Å; L191-R195 HydrophobicContact CD1-CG 4.14Å; L191-R195 WeakPolarHBondContact O-CB 3.43Å; L191-R195 WeakPolarHBondContact O-CG 3.02Å; L191-R195 PolarHBondContact O-N 2.82Å; L191-V317 WeakPolarHBondContact CB-O 3.31Å; L191-V317 PolarHBondContact N-O 3.35Å
192	M	96.6	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-50.6	-172.4	-52.5	80.2	170.9	0	0	111.5	G190 R195 V196 Y311 M315 G319 E321	G190-M192 PolarHBondContact O-N 2.94Å; M192-R195 PolarHBondContact O-N 3.21Å; M192-V196 WeakPolarHBondContact O-CG2 3.44Å; M192-V196 PolarHBondContact O-N 2.89Å; M192-Y311 HydrophobicContact CB-CG 4.37Å; M192-M315 HydrophobicContact CE-CB 3.97Å; M192-M315 HydrophobicContact CE-SD 4.32Å; M192-M315 HydrophobicContact CG-CB 3.94Å; M192-M315 HydrophobicContact CG-SD 4.46Å; M192-M315 HydrophobicContact SD-CB 3.95Å; M192-G319 VanDerWaalsContact CE-O 3.25Å; M192-G319 WeakPolarHBondContact CE-O 3.33Å; M192-E321 HydrophobicContact CE-CB 3.73Å; M192-E321 HydrophobicContact CE-CG 4.15Å; M192-E321 WeakPolarHBondContact CE-OE2 3.23Å; M192-E321 HydrophobicContact CG-CB 3.54Å; M192-E321 HydrophobicContact CG-CG 3.99Å; M192-E321 HydrophobicContact SD-CB 4.48Å
193	R	98.4	Very high	97.7	Very high	48 Å²	48	42.2 Å²	42.2	18%	0.181	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-37.6	179.2	-69.3	-166.1	-77.5	-85.8	-1.5	111.9	E189 V196 C197 M313 M315 D316	E189-R193 HydrophobicContact CB-CB 3.91Å; E189-R193 PolarHBondContact O-NE 3.12Å; E189-R193 PolarHBondContact O-NH2 2.59Å; E189-R193 WeakPolarHBondContact OE2-CD 3.48Å; E189-R193 IonicContact OE2-CZ 2.72Å; E189-R193 IonicContact OE2-NE 3.55Å; E189-R193 PolarHBondContact OE2-NE 3.34Å; E189-R193 IonicContact OE2-NH2 3.45Å; R193-V196 PolarHBondContact O-N 3.19Å; R193-C197 PolarHBondContact O-N 2.96Å; R193-M313 HydrophobicContact CB-CE 4Å; R193-M313 VanDerWaalsContact CD-O 3.3Å; R193-M313 WeakPolarHBondContact CD-O 3.4Å; R193-M313 HydrophobicContact CG-CE 3.71Å; R193-M313 WeakPolarHBondContact CG-O 3.27Å; R193-M313 HydrophobicContact CG-SD 4.12Å; R193-M313 PolarHBondContact NH1-O 2.88Å; R193-M315 PolarHBondContact NH1-O 2.85Å; R193-D316 IonicContact CZ-OD1 2.9Å; R193-D316 IonicContact NH1-OD1 3.66Å; R193-D316 PolarHBondContact NH1-OD1 2.87Å; R193-D316 IonicContact NH2-OD1 2.75Å; R193-D316 PolarHBondContact NH2-OD1 3.44Å
194	S	98.6	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-41.1	175.2	-60.9	0	0	0	0	112.3	D163 N185 G190 L191 V196 C197 G198	D163-S194 WeakPolarHBondContact CB-OG 3.45Å; D163-S194 VanDerWaalsContact CG-OG 3.31Å; D163-S194 PolarHBondContact OD1-OG 3.25Å; N185-S194 PolarHBondContact ND2-OG 2.97Å; G190-S194 VanDerWaalsContact O-CB 3.23Å; G190-S194 WeakPolarHBondContact O-CB 3.35Å; G190-S194 PolarHBondContact O-N 3.15Å; G190-S194 PolarHBondContact O-OG 3.45Å; L191-S194 PolarHBondContact O-N 2.87Å; S194-V196 VanDerWaalsContact C-N 3.34Å; S194-V196 PolarHBondContact O-N 2.75Å; S194-C197 WeakPolarHBondContact O-CB 3.32Å; S194-C197 PolarHBondContact O-N 3.47Å; S194-G198 PolarHBondContact O-N 3.24Å
195	R	98.6	Very high	97.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-41	174.2	-77.6	-175.7	179.3	174.8	-1.8	111.8	T130 L191 M192 G198 A199 F209 D211 G295 G296 Y311	T130-R195 HydrophobicContact CG2-CB 4.33Å; T130-R195 HydrophobicContact CG2-CG 3.59Å; L191-R195 HydrophobicContact CD1-CG 4.14Å; L191-R195 WeakPolarHBondContact O-CB 3.43Å; L191-R195 WeakPolarHBondContact O-CG 3.02Å; L191-R195 PolarHBondContact O-N 2.82Å; M192-R195 PolarHBondContact O-N 3.21Å; R195-G198 PolarHBondContact O-N 3.42Å; R195-A199 WeakPolarHBondContact O-CB 3.29Å; R195-A199 PolarHBondContact O-N 3.28Å; R195-F209 HydrophobicContact CB-CD1 4.13Å; R195-F209 HydrophobicContact CB-CE1 3.75Å; R195-F209 HydrophobicContact CG-CD1 3.82Å; R195-F209 HydrophobicContact CG-CE1 3.99Å; R195-D211 IonicContact NH2-OD1 2.83Å; R195-D211 PolarHBondContact NH2-OD1 3.1Å; R195-G295 PolarHBondContact NH1-O 3.05Å; R195-G295 PolarHBondContact NH2-O 2.94Å; R195-G295 VanDerWaalsContact NH2-O 3.12Å; R195-G296 PolarHBondContact NH2-O 3Å; R195-Y311 HydrophobicContact CB-CD2 4.34Å; R195-Y311 HydrophobicContact CB-CE2 4.27Å; R195-Y311 PolarHBondContact NH1-OH 3.47Å
196	V	98.7	Very high	97.7	Very high	5 Å²	5	39 Å²	39	3%	0.03	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-42.6	174.9	170.6	0	0	0	0	111.4	M192 R193 S194 G198 A199 D200 F305 K310 Y311 M313	M192-V196 WeakPolarHBondContact O-CG2 3.44Å; M192-V196 PolarHBondContact O-N 2.89Å; R193-V196 PolarHBondContact O-N 3.19Å; S194-V196 VanDerWaalsContact C-N 3.34Å; S194-V196 PolarHBondContact O-N 2.75Å; V196-G198 VanDerWaalsContact C-N 3.32Å; V196-G198 PolarHBondContact O-N 2.95Å; V196-A199 PolarHBondContact O-N 2.85Å; V196-D200 WeakPolarHBondContact O-CB 3.44Å; V196-D200 PolarHBondContact O-N 2.72Å; V196-F305 HydrophobicContact CG2-CZ 4.22Å; V196-K310 HydrophobicContact CG1-CD 3.8Å; V196-K310 HydrophobicContact CG2-CB 3.96Å; V196-Y311 HydrophobicContact CG2-CD2 4.31Å; V196-M313 HydrophobicContact CB-CE 4.15Å; V196-M313 HydrophobicContact CB-SD 3.67Å; V196-M313 HydrophobicContact CG1-CE 3.96Å; V196-M313 HydrophobicContact CG1-SD 3.68Å; V196-M313 HydrophobicContact CG2-SD 3.64Å
197	C	98.5	Very high	97.8	Very high	48 Å²	48	31.6 Å²	31.6	32%	0.324	16%	0.164	S	C	.	.	H	α-helix	trans	-56.7	-45.8	173.7	-179.6	0	0	0	0	111.9	R193 S194 D200 A201	R193-C197 PolarHBondContact O-N 2.96Å; S194-C197 WeakPolarHBondContact O-CB 3.32Å; S194-C197 PolarHBondContact O-N 3.47Å; C197-D200 PolarHBondContact O-N 3.29Å; C197-A201 PolarHBondContact O-N 2.75Å; C197-A201 VanDerWaalsContact O-N 3.16Å
198	G	98.7	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.7	-41.3	175.7	0	0	0	0	0	113.5	I159 S194 R195 V196 A201 A202	I159-G198 WeakPolarHBondContact CD1-O 3.45Å; S194-G198 PolarHBondContact O-N 3.24Å; R195-G198 PolarHBondContact O-N 3.42Å; V196-G198 VanDerWaalsContact C-N 3.32Å; V196-G198 PolarHBondContact O-N 2.95Å; G198-A201 PolarHBondContact O-N 3.27Å; G198-A202 PolarHBondContact O-N 2.92Å
199	A	98.7	Very high	98.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-64.5	-39.1	177.3	0	0	0	0	0	112.5	R195 V196 A201 A202 L207 F209 K302 F305	R195-A199 WeakPolarHBondContact O-CB 3.29Å; R195-A199 PolarHBondContact O-N 3.28Å; V196-A199 PolarHBondContact O-N 2.85Å; A199-A201 VanDerWaalsContact C-N 3.31Å; A199-A201 PolarHBondContact O-N 2.68Å; A199-A202 WeakPolarHBondContact O-CB 3.27Å; A199-A202 PolarHBondContact O-N 2.84Å; A199-L207 HydrophobicContact CB-CD1 3.8Å; A199-L207 HydrophobicContact CB-CD2 4.32Å; A199-F209 HydrophobicContact CB-CZ 4.2Å; A199-K302 WeakPolarHBondContact O-CE 3.42Å; A199-F305 HydrophobicContact CB-CD1 4.08Å; A199-F305 HydrophobicContact CB-CE1 3.6Å; A199-F305 HydrophobicContact CB-CZ 4.43Å
200	D	98.7	Very high	98.2	Very high	79 Å²	79	19.5 Å²	19.5	42%	0.422	12%	0.117	S	C	.	.	H	α-helix	trans	-67.9	-35.1	178.9	-71	2.6	0	0	0	111.3	V196 C197 K310	V196-D200 WeakPolarHBondContact O-CB 3.44Å; V196-D200 PolarHBondContact O-N 2.72Å; C197-D200 PolarHBondContact O-N 3.29Å; D200-K310 WeakPolarHBondContact OD1-CE 3.39Å; D200-K310 IonicContact OD1-NZ 3.71Å; D200-K310 PolarHBondContact OD1-NZ 3.36Å; D200-K310 IonicContact OD2-NZ 3.7Å; D200-K310 PolarHBondContact OD2-NZ 3.15Å
201	A	98.7	Very high	98.4	Very high	28 Å²	28	20.8 Å²	20.8	23%	0.231	12%	0.123	C	C	.	.	H	α-helix	trans	-77.3	-20.6	175.4	0	0	0	0	0	113.7	R181 L183 C197 G198 A199	R181-A201 VanDerWaalsContact NH2-C 3.32Å; R181-A201 PolarHBondContact NH2-O 2.88Å; L183-A201 HydrophobicContact CD1-CB 3.58Å; C197-A201 PolarHBondContact O-N 2.75Å; C197-A201 VanDerWaalsContact O-N 3.16Å; G198-A201 PolarHBondContact O-N 3.27Å; A199-A201 VanDerWaalsContact C-N 3.31Å; A199-A201 PolarHBondContact O-N 2.68Å
202	A	98.7	Very high	98.6	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.025	12%	0.12	C	C	.	.			trans	-62	136	-173.6	0	0	0	0	0	113.1	I159 G198 A199 L207 K302	I159-A202 HydrophobicContact CD1-CB 3.89Å; G198-A202 PolarHBondContact O-N 2.92Å; A199-A202 WeakPolarHBondContact O-CB 3.27Å; A199-A202 PolarHBondContact O-N 2.84Å; A202-L207 HydrophobicContact CB-CD2 3.51Å; A202-K302 PolarHBondContact O-NZ 2.82Å
203	T	98.7	Very high	98.7	Very high	87 Å²	87	21.1 Å²	21.1	53%	0.534	13%	0.125	S	C	.	.			trans	-102.9	-11.3	-178.8	65	0	0	0	0	113.8	S126 E157	S126-T203 PolarHBondContact OG-N 2.95Å; E157-T203 VanDerWaalsContact OE1-CB 3.27Å; E157-T203 WeakPolarHBondContact OE1-CB 3.46Å; E157-T203 WeakPolarHBondContact OE1-CG2 3.38Å; E157-T203 PolarHBondContact OE1-N 3.3Å; E157-T203 PolarHBondContact OE1-OG1 2.7Å
204	A	98.6	Very high	98.7	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.041	12%	0.116	C	C	.	.	S	Bend	trans	-84.2	156.4	178.2	0	0	0	0	0	112.5	A124 S126 K156 V206 K302	A124-A204 WeakPolarHBondContact O-CB 3.34Å; S126-A204 WeakPolarHBondContact OG-CB 3.44Å; S126-A204 PolarHBondContact OG-N 2.94Å; S126-A204 VanDerWaalsContact OG-N 3.09Å; K156-A204 HydrophobicContact CB-CB 3.82Å; K156-A204 HydrophobicContact CG-CB 4.05Å; A204-V206 VanDerWaalsContact C-N 3.27Å; A204-V206 PolarHBondContact O-N 2.78Å; A204-K302 WeakPolarHBondContact O-CD 3.39Å
205	P	98.6	Very high	98.7	Very high	73 Å²	73	19.1 Å²	19.1	47%	0.474	12%	0.118	S	C	.	.	S	Bend	trans	-70.3	-20.5	175.5	28.7	-36.4	0	0	0	113.8	P123 A124 K302	P123-P205 HydrophobicContact CB-CG 4Å; A124-P205 WeakPolarHBondContact O-CD 3.45Å; P205-K302 VanDerWaalsContact O-CB 3.22Å; P205-K302 WeakPolarHBondContact O-CB 3.45Å; P205-K302 PolarHBondContact O-N 3.24Å
206	V	98.9	Very high	98.7	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.1	-179.4	-178.1	0	0	0	0	110.7	P123 S125 S126 A204 L225 V228 V299	P123-V206 HydrophobicContact CB-CG2 3.99Å; P123-V206 HydrophobicContact CG-CG2 3.76Å; S125-V206 CarbonylContact C-O 3.54Å; S125-V206 WeakPolarHBondContact CA-O 3.41Å; S125-V206 WeakPolarHBondContact CB-O 3.48Å; S125-V206 PolarHBondContact OG-O 3.25Å; S126-V206 PolarHBondContact N-O 3.27Å; A204-V206 VanDerWaalsContact C-N 3.27Å; A204-V206 PolarHBondContact O-N 2.78Å; V206-L225 HydrophobicContact CB-CD2 4.2Å; V206-L225 HydrophobicContact CG1-CD2 3.71Å; V206-V228 HydrophobicContact CG1-CG1 4.41Å; V206-V228 HydrophobicContact CG2-CG1 4.32Å; V206-V299 HydrophobicContact CG1-CG1 3.36Å
207	L	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.7	174.4	-59.6	174.3	0	0	0	110	A199 A202 F209 V299 M300 K302 F305	A199-L207 HydrophobicContact CB-CD1 3.8Å; A199-L207 HydrophobicContact CB-CD2 4.32Å; A202-L207 HydrophobicContact CB-CD2 3.51Å; L207-F209 HydrophobicContact CB-CE2 3.87Å; L207-F209 HydrophobicContact CB-CZ 4.27Å; L207-F209 HydrophobicContact CD1-CE2 4.12Å; L207-F209 HydrophobicContact CD1-CZ 4.02Å; L207-V299 CarbonylContact O-C 3.58Å; L207-V299 VanDerWaalsContact O-CA 3.28Å; L207-V299 WeakPolarHBondContact O-CA 3.25Å; L207-M300 PolarHBondContact N-O 2.83Å; L207-M300 PolarHBondContact O-N 2.6Å; L207-K302 HydrophobicContact CD1-CB 4.28Å; L207-K302 HydrophobicContact CD1-CG 4.13Å; L207-K302 HydrophobicContact CD2-CB 4.37Å; L207-K302 HydrophobicContact CD2-CD 4.42Å; L207-K302 HydrophobicContact CD2-CG 4.17Å; L207-K302 HydrophobicContact CG-CB 3.93Å; L207-K302 HydrophobicContact CG-CG 4.08Å; L207-F305 HydrophobicContact CD1-CB 3.93Å; L207-F305 HydrophobicContact CD1-CD1 3.68Å; L207-F305 HydrophobicContact CD1-CE1 4.35Å; L207-F305 HydrophobicContact CD1-CG 3.85Å
208	T	98.9	Very high	98.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.1	168.5	-62	0	0	0	0	108.4	S125 S126 V127 V128 L210 W220 V299	S125-T208 PolarHBondContact OG-N 2.74Å; S125-T208 PolarHBondContact OG-OG1 2.95Å; S126-T208 PolarHBondContact O-N 3.31Å; V127-T208 CarbonylContact C-O 3.57Å; V127-T208 VanDerWaalsContact CA-O 3.31Å; V127-T208 WeakPolarHBondContact CA-O 3.14Å; V127-T208 HydrophobicContact CG1-CG2 4.36Å; V127-T208 HydrophobicContact CG2-CG2 4.46Å; V128-T208 PolarHBondContact N-O 3.26Å; T208-L210 HydrophobicContact CG2-CG 4.37Å; T208-W220 HydrophobicContact CG2-CH2 3.74Å; T208-W220 HydrophobicContact CG2-CZ3 4.1Å; T208-V299 HydrophobicContact CG2-CG2 3.87Å
209	F	98.9	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.7	174.7	-63.1	-81.8	0	0	0	109.7	V128 R195 A199 L207 L297 F298 F305	V128-F209 HydrophobicContact CB-CD1 3.74Å; V128-F209 HydrophobicContact CB-CE1 3.82Å; V128-F209 HydrophobicContact CG1-CD1 3.97Å; V128-F209 HydrophobicContact CG1-CE1 3.9Å; V128-F209 HydrophobicContact CG2-CE1 4.2Å; V128-F209 WeakPolarHBondContact O-CA 3.5Å; R195-F209 HydrophobicContact CB-CD1 4.13Å; R195-F209 HydrophobicContact CB-CE1 3.75Å; R195-F209 HydrophobicContact CG-CD1 3.82Å; R195-F209 HydrophobicContact CG-CE1 3.99Å; A199-F209 HydrophobicContact CB-CZ 4.2Å; L207-F209 HydrophobicContact CB-CE2 3.87Å; L207-F209 HydrophobicContact CB-CZ 4.27Å; L207-F209 HydrophobicContact CD1-CE2 4.12Å; L207-F209 HydrophobicContact CD1-CZ 4.02Å; F209-L297 WeakPolarHBondContact O-CA 3.36Å; F209-F298 HydrophobicContact CB-CD1 4.21Å; F209-F298 HydrophobicContact CB-CE1 3.96Å; F209-F298 HydrophobicContact CB-CZ 4.33Å; F209-F298 HydrophobicContact CD2-CD1 4.39Å; F209-F298 HydrophobicContact CD2-CD2 4.07Å; F209-F298 AromaticContact CD2-CE1 3.77Å; F209-F298 HydrophobicContact CD2-CE1 3.77Å; F209-F298 AromaticContact CD2-CE2 3.42Å; F209-F298 HydrophobicContact CD2-CE2 3.42Å; F209-F298 VanDerWaalsContact CD2-CE2 3.42Å; F209-F298 AromaticContact CD2-CZ 3.24Å; F209-F298 HydrophobicContact CD2-CZ 3.24Å; F209-F298 AromaticContact CE2-CE2 3.77Å; F209-F298 HydrophobicContact CE2-CE2 3.77Å; F209-F298 AromaticContact CE2-CZ 3.7Å; F209-F298 HydrophobicContact CE2-CZ 3.7Å; F209-F298 HydrophobicContact CG-CE1 4.07Å; F209-F298 HydrophobicContact CG-CE2 4.47Å; F209-F298 AromaticContact CG-CZ 3.96Å; F209-F298 HydrophobicContact CG-CZ 3.96Å; F209-F298 PolarHBondContact N-O 2.95Å; F209-F298 PolarHBondContact O-N 2.77Å; F209-F305 HydrophobicContact CZ-CE2 4.49Å; F209-F305 HydrophobicContact CZ-CZ 4.34Å
210	L	98.9	Very high	98.7	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149	171	-65.3	175.3	0	0	0	109.9	V127 V128 I129 V146 T208 W220 G296 L297 V344	V127-L210 HydrophobicContact CG1-CD1 4.01Å; V127-L210 HydrophobicContact CG1-CG 4.4Å; V128-L210 PolarHBondContact O-N 3.13Å; I129-L210 HydrophobicContact CG1-CB 4.23Å; V146-L210 HydrophobicContact CG2-CD1 3.61Å; T208-L210 HydrophobicContact CG2-CG 4.37Å; L210-W220 HydrophobicContact CD1-CH2 3.76Å; L210-W220 HydrophobicContact CD1-CZ2 4.43Å; L210-W220 HydrophobicContact CD1-CZ3 4.34Å; L210-W220 HydrophobicContact CD2-CH2 4.25Å; L210-W220 HydrophobicContact CD2-CZ3 4.03Å; L210-W220 HydrophobicContact CG-CH2 4.3Å; L210-G296 CarbonylContact C-O 3.54Å; L210-L297 HydrophobicContact CD2-CB 4.24Å; L210-L297 HydrophobicContact CD2-CD2 3.74Å; L210-L297 HydrophobicContact CD2-CG 3.97Å; L210-V344 HydrophobicContact CD2-CG1 4.35Å
211	D	98.3	Very high	98.7	Very high	28 Å²	28	19.9 Å²	19.9	15%	0.15	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	158.5	165.4	-76.8	-3.1	0	0	0	110.8	R195 H213 C214 G296 H346	R195-D211 IonicContact NH2-OD1 2.83Å; R195-D211 PolarHBondContact NH2-OD1 3.1Å; D211-H213 PolarHBondContact O-N 3.28Å; D211-H213 VanDerWaalsContact O-N 3.08Å; D211-C214 PolarHBondContact O-SG 2.87Å; D211-G296 PolarHBondContact N-O 2.91Å; D211-G296 WeakPolarHBondContact OD1-CA 3.41Å; D211-H346 IonicContact OD2-CD2 3.91Å; D211-H346 IonicContact OD2-NE2 3.29Å; D211-H346 PolarHBondContact OD2-NE2 3.42Å
212	S	98.5	Very high	98.7	Very high	8 Å²	8	19.2 Å²	19.2	6%	0.056	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	7.2	-174.4	56.1	0	0	0	0	116.3	E134 A138 L139 T142	E134-S212 PolarHBondContact OE2-OG 2.84Å; A138-S212 CarbonylContact C-O 3.16Å; L139-S212 WeakPolarHBondContact CA-O 3.38Å; L139-S212 PolarHBondContact N-O 3.4Å; T142-S212 PolarHBondContact OG1-O 2.81Å; T142-S212 VanDerWaalsContact OG1-O 3.09Å
213	H	98.6	Very high	98.7	Very high	22 Å²	22	19.1 Å²	19.1	10%	0.102	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.9	53.2	-174.5	42	-83.5	0	0	0	109.6	E134 A138 T142 D211 H346 V347 R349	E134-H213 IonicContact OE2-CE1 3.66Å; E134-H213 IonicContact OE2-CG 2.7Å; E134-H213 IonicContact OE2-ND1 2.77Å; E134-H213 PolarHBondContact OE2-ND1 2.96Å; A138-H213 HydrophobicContact CB-CB 4.18Å; T142-H213 WeakPolarHBondContact OG1-CA 3.12Å; T142-H213 PolarHBondContact OG1-N 3.2Å; D211-H213 PolarHBondContact O-N 3.28Å; D211-H213 VanDerWaalsContact O-N 3.08Å; H213-H346 AromaticContact CD2-CD2 3.9Å; H213-H346 AromaticContact CD2-CE1 3.89Å; H213-H346 AromaticContact CD2-NE2 3.51Å; H213-H346 AromaticContact NE2-CE1 3.67Å; H213-H346 AromaticContact NE2-NE2 3.24Å; H213-H346 PolarHBondContact NE2-NE2 2.91Å; H213-V347 HydrophobicContact CB-CB 4.26Å; H213-V347 HydrophobicContact CB-CG2 4.11Å; H213-V347 PolarHBondContact O-N 3.17Å; H213-R349 PolarHBondContact CD2-NH2 3.14Å; H213-R349 PolarHBondContact CE1-NH2 3.03Å; H213-R349 PolarHBondContact ND1-NH2 3.42Å; H213-R349 PolarHBondContact NE2-NH2 2.98Å
214	C	98.9	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	159.7	179.3	-58	0	0	0	0	111.7	T142 D211 V344 G345	T142-C214 VanDerWaalsContact CA-O 3.22Å; T142-C214 WeakPolarHBondContact CA-O 3.46Å; T142-C214 HydrophobicContact CG2-CB 4.1Å; T142-C214 PolarHBondContact OG1-N 3.06Å; T142-C214 PolarHBondContact OG1-O 2.04Å; T142-C214 VanDerWaalsContact OG1-O 3.09Å; D211-C214 PolarHBondContact O-SG 2.87Å; C214-V344 HydrophobicContact CB-CG1 3.84Å; C214-G345 CarbonylContact C-O 3.51Å; C214-G345 WeakPolarHBondContact CA-O 3.45Å; C214-G345 WeakPolarHBondContact CB-O 3.5Å
215	E	98.9	Very high	98.7	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.023	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	108.9	171.7	-69.4	177	-127.6	0	0	109.9	R103 V105 R141 I243 Y250 G345	R103-E215 IonicContact CZ-OE1 3.44Å; R103-E215 IonicContact CZ-OE2 2.6Å; R103-E215 IonicContact NE-OE1 2.9Å; R103-E215 PolarHBondContact NE-OE1 3.41Å; R103-E215 IonicContact NE-OE2 2.83Å; R103-E215 PolarHBondContact NE-OE2 3.41Å; R103-E215 VanDerWaalsContact NH2-CD 3.34Å; R103-E215 IonicContact NH2-OE1 3.2Å; R103-E215 PolarHBondContact NH2-OE1 2.96Å; R103-E215 IonicContact NH2-OE2 2.78Å; R103-E215 PolarHBondContact NH2-OE2 3.41Å; V105-E215 WeakPolarHBondContact CG1-OE2 3.36Å; R141-E215 VanDerWaalsContact CD-CD 3.44Å; R141-E215 WeakPolarHBondContact CD-OE1 3.24Å; R141-E215 HydrophobicContact CG-CG 3.89Å; R141-E215 IonicContact CZ-OE1 3.42Å; R141-E215 VanDerWaalsContact NE-CD 3.31Å; R141-E215 IonicContact NE-OE1 3.25Å; R141-E215 PolarHBondContact NE-OE1 3.45Å; R141-E215 IonicContact NE-OE2 3Å; R141-E215 IonicContact NH2-OE1 3.13Å; E215-I243 HydrophobicContact CB-CD1 3.95Å; E215-I243 HydrophobicContact CG-CD1 3.83Å; E215-I243 WeakPolarHBondContact OE1-CD1 3.34Å; E215-Y250 HydrophobicContact CB-CD2 4.36Å; E215-Y250 HydrophobicContact CB-CE2 4.11Å; E215-G345 PolarHBondContact N-O 3.31Å; E215-G345 PolarHBondContact O-N 3.15Å
216	C	98.9	Very high	98.7	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.014	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	141.2	176.6	-61.3	0	0	0	0	111.1	S145 K149 W220	S145-C216 PolarHBondContact OG-N 2.92Å; K149-C216 HydrophobicContact CB-CB 4.2Å; K149-C216 WeakPolarHBondContact CG-O 3.44Å; C216-W220 HydrophobicContact CB-CD2 3.86Å; C216-W220 HydrophobicContact CB-CG 3.78Å; C216-W220 HydrophobicContact CB-CZ2 4.42Å; C216-W220 WeakPolarHBondContact SG-CZ2 3.03Å
217	N	98.7	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.068	C	C	.	.			trans	-99.8	-179.1	175.3	-143.4	-37.4	0	0	0	111.7	P106 T108 H219 W220 Y250 R343	P106-N217 PolarHBondContact O-ND2 3.04Å; T108-N217 PolarHBondContact OG1-ND2 2.97Å; N217-H219 PolarHBondContact O-N 3.49Å; N217-W220 WeakPolarHBondContact O-CB 3.01Å; N217-W220 PolarHBondContact O-N 2.84Å; N217-Y250 PolarHBondContact ND2-OH 2.74Å; N217-R343 HydrophobicContact CB-CB 3.71Å; N217-R343 VanDerWaalsContact CB-O 3.25Å; N217-R343 WeakPolarHBondContact CB-O 3.04Å; N217-R343 PolarHBondContact N-O 2.8Å
218	D	98.1	Very high	98.7	Very high	56 Å²	56	14.3 Å²	14.3	30%	0.299	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	130.8	-177.6	-67.4	-29.7	0	0	0	112.5	R109 K149 W220	R109-D218 VanDerWaalsContact CD-O 3.25Å; R109-D218 WeakPolarHBondContact CD-O 3.47Å; R109-D218 PolarHBondContact NE-O 3.19Å; R109-D218 PolarHBondContact NH1-O 3.33Å; R109-D218 VanDerWaalsContact NH1-O 3.13Å; K149-D218 WeakPolarHBondContact CD-OD1 3.26Å; K149-D218 IonicContact NZ-OD1 3.9Å; K149-D218 PolarHBondContact NZ-OD1 3.46Å; K149-D218 IonicContact NZ-OD2 2.85Å; D218-W220 PolarHBondContact O-N 2.87Å
219	H	97.8	Very high	98.6	Very high	91 Å²	91	16.3 Å²	16.3	42%	0.421	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	40.3	-179	-57.3	-77.8	0	0	0	113.7	R109 N217 L221 E222 P223	R109-H219 PolarHBondContact NH1-CD2 3.4Å; N217-H219 PolarHBondContact O-N 3.49Å; H219-L221 VanDerWaalsContact C-N 3.33Å; H219-E222 VanDerWaalsContact C-OE2 3.32Å; H219-E222 VanDerWaalsContact CA-OE2 3.28Å; H219-E222 WeakPolarHBondContact CA-OE2 3.21Å; H219-E222 IonicContact CE1-OE1 4Å; H219-E222 IonicContact CG-OE1 3.73Å; H219-E222 IonicContact ND1-OE1 2.71Å; H219-E222 PolarHBondContact ND1-OE1 2.89Å; H219-P223 WeakPolarHBondContact O-CD 3.41Å; H219-P223 WeakPolarHBondContact O-CG 3.4Å
220	W	98.8	Very high	98.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.008	11%	0.106	C	C	.	.			trans	-70.9	-28	-178.4	76	-70.3	0	0	0	112.9	V146 S150 T208 L210 C216 N217 D218 L224 S342 V344	V146-W220 HydrophobicContact CG1-CZ2 4.49Å; V146-W220 HydrophobicContact CG2-CZ2 4.24Å; S150-W220 PolarHBondContact OG-NE1 2.58Å; T208-W220 HydrophobicContact CG2-CH2 3.74Å; T208-W220 HydrophobicContact CG2-CZ3 4.1Å; L210-W220 HydrophobicContact CD1-CH2 3.76Å; L210-W220 HydrophobicContact CD1-CZ2 4.43Å; L210-W220 HydrophobicContact CD1-CZ3 4.34Å; L210-W220 HydrophobicContact CD2-CH2 4.25Å; L210-W220 HydrophobicContact CD2-CZ3 4.03Å; L210-W220 HydrophobicContact CG-CH2 4.3Å; C216-W220 HydrophobicContact CB-CD2 3.86Å; C216-W220 HydrophobicContact CB-CG 3.78Å; C216-W220 HydrophobicContact CB-CZ2 4.42Å; C216-W220 WeakPolarHBondContact SG-CZ2 3.03Å; N217-W220 WeakPolarHBondContact O-CB 3.01Å; N217-W220 PolarHBondContact O-N 2.84Å; D218-W220 PolarHBondContact O-N 2.87Å; W220-L224 HydrophobicContact CE3-CD1 4.08Å; W220-L224 HydrophobicContact CZ3-CD1 4.21Å; W220-S342 VanDerWaalsContact O-CB 3.27Å; W220-S342 WeakPolarHBondContact O-CB 3.45Å; W220-S342 PolarHBondContact O-OG 3.27Å; W220-V344 HydrophobicContact CB-CG2 4.35Å; W220-V344 HydrophobicContact CD2-CG2 4.04Å; W220-V344 HydrophobicContact CE3-CG2 3.37Å; W220-V344 HydrophobicContact CG-CG2 4.47Å; W220-V344 HydrophobicContact CZ3-CG2 3.98Å
221	L	98.8	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-90.1	-44.1	-166.2	-176.3	60.2	0	0	0	112.4	L154 V155 H219 P223 L224 L225	L154-L221 HydrophobicContact CB-CD2 3.98Å; V155-L221 HydrophobicContact CG2-CD2 4.27Å; H219-L221 VanDerWaalsContact C-N 3.33Å; L221-P223 VanDerWaalsContact C-CD 3.44Å; L221-L224 WeakPolarHBondContact O-CB 3.44Å; L221-L224 PolarHBondContact O-N 3Å; L221-L225 HydrophobicContact CD1-CD1 4.08Å; L221-L225 HydrophobicContact CD1-CD2 4.3Å; L221-L225 HydrophobicContact CD1-CG 3.98Å; L221-L225 HydrophobicContact CD2-CD1 4.02Å; L221-L225 HydrophobicContact CG-CD1 3.63Å; L221-L225 HydrophobicContact CG-CG 3.98Å; L221-L225 WeakPolarHBondContact O-CG 3.19Å; L221-L225 PolarHBondContact O-N 2.96Å
222	E	98.7	Very high	98.6	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.065	13%	0.133	C	C	.	.	H	α-helix	trans	-54.8	-44.9	-178.3	-51.8	93.3	125.1	0	0	113.1	W118 L122 P151 L154 H219 L224 L225 E226	W118-E222 HydrophobicContact CB-CB 3.71Å; W118-E222 HydrophobicContact CB-CG 4.35Å; W118-E222 HydrophobicContact CD2-CB 4.08Å; W118-E222 HydrophobicContact CG-CB 3.62Å; W118-E222 HydrophobicContact CG-CG 4.45Å; L122-E222 HydrophobicContact CD1-CB 3.87Å; L122-E222 HydrophobicContact CD1-CG 4.33Å; P151-E222 HydrophobicContact CG-CG 4.11Å; P151-E222 WeakPolarHBondContact CG-OE1 3.39Å; L154-E222 HydrophobicContact CD1-CG 3.91Å; H219-E222 VanDerWaalsContact C-OE2 3.32Å; H219-E222 VanDerWaalsContact CA-OE2 3.28Å; H219-E222 WeakPolarHBondContact CA-OE2 3.21Å; H219-E222 IonicContact CE1-OE1 4Å; H219-E222 IonicContact CG-OE1 3.73Å; H219-E222 IonicContact ND1-OE1 2.71Å; H219-E222 PolarHBondContact ND1-OE1 2.89Å; E222-L224 PolarHBondContact O-N 3.35Å; E222-L225 PolarHBondContact O-N 3.3Å; E222-E226 WeakPolarHBondContact O-CB 2.98Å; E222-E226 PolarHBondContact O-N 3Å
223	P	98.7	Very high	98.6	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-32.1	175.8	-15.7	24.2	0	0	0	113.8	W118 H219 L221 R227 I339 C341	W118-P223 HydrophobicContact CD2-CG 4.31Å; W118-P223 HydrophobicContact CE3-CB 4.28Å; W118-P223 HydrophobicContact CE3-CG 4.34Å; W118-P223 HydrophobicContact CH2-CB 3.43Å; W118-P223 VanDerWaalsContact CH2-CB 3.43Å; W118-P223 HydrophobicContact CH2-CG 3.55Å; W118-P223 HydrophobicContact CZ2-CB 3.97Å; W118-P223 HydrophobicContact CZ2-CG 3.51Å; W118-P223 HydrophobicContact CZ3-CB 3.6Å; W118-P223 HydrophobicContact CZ3-CG 3.97Å; H219-P223 WeakPolarHBondContact O-CD 3.41Å; H219-P223 WeakPolarHBondContact O-CG 3.4Å; L221-P223 VanDerWaalsContact C-CD 3.44Å; P223-R227 VanDerWaalsContact O-CG 3.31Å; P223-R227 WeakPolarHBondContact O-CG 3.35Å; P223-I339 HydrophobicContact CB-CG2 3.69Å; P223-C341 HydrophobicContact CB-CB 4.32Å; P223-C341 HydrophobicContact CG-CB 4.15Å
224	L	98.9	Very high	98.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-77.6	-46.3	-180	-58	175.8	0	0	0	110.1	W220 L221 E222 E226 R227 V228 V236 V299 I339 S342	W220-L224 HydrophobicContact CE3-CD1 4.08Å; W220-L224 HydrophobicContact CZ3-CD1 4.21Å; L221-L224 WeakPolarHBondContact O-CB 3.44Å; L221-L224 PolarHBondContact O-N 3Å; E222-L224 PolarHBondContact O-N 3.35Å; L224-E226 PolarHBondContact O-N 3.33Å; L224-R227 PolarHBondContact O-N 2.95Å; L224-V228 PolarHBondContact O-N 3.2Å; L224-V236 HydrophobicContact CB-CG2 3.86Å; L224-V236 HydrophobicContact CD2-CB 4.32Å; L224-V236 HydrophobicContact CD2-CG2 3.91Å; L224-V236 HydrophobicContact CG-CG2 4.49Å; L224-V236 WeakPolarHBondContact O-CG2 3.33Å; L224-V299 HydrophobicContact CB-CB 4.19Å; L224-V299 HydrophobicContact CB-CG2 3.8Å; L224-V299 HydrophobicContact CD1-CG2 3.62Å; L224-V299 HydrophobicContact CG-CG2 4.29Å; L224-I339 HydrophobicContact CD2-CB 3.85Å; L224-I339 HydrophobicContact CD2-CG1 3.73Å; L224-S342 WeakPolarHBondContact CD1-OG 3.45Å; L224-S342 WeakPolarHBondContact CG-OG 3.29Å
225	L	98.9	Very high	98.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-37.7	179.6	-63.9	178.1	0	0	0	112.4	L122 P123 L154 V206 L221 E222 R227 V228 A229 V299	L122-L225 HydrophobicContact CB-CB 4.33Å; L122-L225 HydrophobicContact CD1-CB 4.25Å; L122-L225 HydrophobicContact CD2-CB 4.39Å; P123-L225 WeakPolarHBondContact O-CD1 3.27Å; L154-L225 HydrophobicContact CB-CD1 4.12Å; L154-L225 HydrophobicContact CD1-CD1 4.04Å; L154-L225 HydrophobicContact CD2-CD1 4.23Å; L154-L225 HydrophobicContact CG-CD1 4.35Å; V206-L225 HydrophobicContact CB-CD2 4.2Å; V206-L225 HydrophobicContact CG1-CD2 3.71Å; L221-L225 HydrophobicContact CD1-CD1 4.08Å; L221-L225 HydrophobicContact CD1-CD2 4.3Å; L221-L225 HydrophobicContact CD1-CG 3.98Å; L221-L225 HydrophobicContact CD2-CD1 4.02Å; L221-L225 HydrophobicContact CG-CD1 3.63Å; L221-L225 HydrophobicContact CG-CG 3.98Å; L221-L225 WeakPolarHBondContact O-CG 3.19Å; L221-L225 PolarHBondContact O-N 2.96Å; E222-L225 PolarHBondContact O-N 3.3Å; L225-R227 VanDerWaalsContact C-N 3.27Å; L225-R227 PolarHBondContact O-N 3.48Å; L225-V228 PolarHBondContact O-N 2.85Å; L225-A229 WeakPolarHBondContact O-CB 3.4Å; L225-A229 PolarHBondContact O-N 2.74Å; L225-V299 HydrophobicContact CD2-CG1 4.07Å
226	E	98.6	Very high	98.6	Very high	18 Å²	18	28.9 Å²	28.9	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-57.4	-42	176.9	-173.6	164.1	-60.5	0	0	111.1	K116 W118 R119 L122 E222 L224 A229 E230	K116-E226 IonicContact NZ-OE2 3.52Å; K116-E226 PolarHBondContact NZ-OE2 3.12Å; K116-E226 VanDerWaalsContact NZ-OE2 3.14Å; W118-E226 HydrophobicContact CE3-CB 4.47Å; R119-E226 PolarHBondContact N-OE1 3.37Å; L122-E226 HydrophobicContact CD2-CB 4.01Å; E222-E226 WeakPolarHBondContact O-CB 2.98Å; E222-E226 PolarHBondContact O-N 3Å; L224-E226 PolarHBondContact O-N 3.33Å; E226-A229 PolarHBondContact O-N 2.78Å; E226-E230 VanDerWaalsContact O-CG 3.27Å; E226-E230 WeakPolarHBondContact O-CG 3.19Å; E226-E230 PolarHBondContact O-N 2.83Å
227	R	98.7	Very high	98.6	Very high	47 Å²	47	29.1 Å²	29.1	18%	0.177	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-42.3	-180	-61.6	-59.4	-61.1	160.4	-6.4	113.3	P223 L224 L225 E230 D231 R234 V236 E337 I339	P223-R227 VanDerWaalsContact O-CG 3.31Å; P223-R227 WeakPolarHBondContact O-CG 3.35Å; L224-R227 PolarHBondContact O-N 2.95Å; L225-R227 VanDerWaalsContact C-N 3.27Å; L225-R227 PolarHBondContact O-N 3.48Å; R227-E230 IonicContact CZ-OE2 3.46Å; R227-E230 IonicContact NH1-OE2 3.91Å; R227-E230 PolarHBondContact NH1-OE2 3.42Å; R227-D231 PolarHBondContact O-N 3.42Å; R227-R234 PolarHBondContact O-NH1 3.34Å; R227-V236 HydrophobicContact CB-CG1 3.77Å; R227-V236 HydrophobicContact CG-CG1 4.44Å; R227-E337 IonicContact CZ-OE1 3.33Å; R227-E337 IonicContact CZ-OE2 2.97Å; R227-E337 IonicContact NE-OE2 2.77Å; R227-E337 PolarHBondContact NE-OE2 3.05Å; R227-E337 IonicContact NH2-OE1 2.66Å; R227-E337 PolarHBondContact NH2-OE1 2.88Å; R227-E337 IonicContact NH2-OE2 3.64Å; R227-E337 PolarHBondContact NH2-OE2 2.76Å; R227-E337 VanDerWaalsContact NH2-OE2 3.13Å; R227-I339 HydrophobicContact CG-CD1 3.79Å; R227-I339 HydrophobicContact CG-CG1 4.27Å
228	V	98.7	Very high	98.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-72.9	-34.7	178.9	179	0	0	0	0	111.2	V206 L224 L225 D231 K232 V236 V299 D301	V206-V228 HydrophobicContact CG1-CG1 4.41Å; V206-V228 HydrophobicContact CG2-CG1 4.32Å; L224-V228 PolarHBondContact O-N 3.2Å; L225-V228 PolarHBondContact O-N 2.85Å; V228-D231 CarbonylContact O-C 3.53Å; V228-D231 PolarHBondContact O-N 3.09Å; V228-K232 PolarHBondContact O-N 2.57Å; V228-V236 HydrophobicContact CG2-CG2 3.81Å; V228-V299 HydrophobicContact CG2-CG1 4.1Å; V228-D301 HydrophobicContact CG1-CB 3.82Å
229	A	98.4	Very high	98.7	Very high	43 Å²	43	27 Å²	27	36%	0.355	13%	0.134	S	C	.	.	H	α-helix	trans	-66.8	-36.5	175.8	0	0	0	0	0	112.4	L122 P123 L225 E226	L122-A229 HydrophobicContact CD2-CB 4.37Å; P123-A229 HydrophobicContact CG-CB 4.12Å; L225-A229 WeakPolarHBondContact O-CB 3.4Å; L225-A229 PolarHBondContact O-N 2.74Å; E226-A229 PolarHBondContact O-N 2.78Å
230	E	98.4	Very high	98.7	Very high	92 Å²	92	23.2 Å²	23.2	43%	0.43	12%	0.116	S	C	.	.	H	α-helix	trans	-68.3	-36.4	173.6	-75.5	171.5	-175.6	0	0	112.9	E226 R227 R234	E226-E230 VanDerWaalsContact O-CG 3.27Å; E226-E230 WeakPolarHBondContact O-CG 3.19Å; E226-E230 PolarHBondContact O-N 2.83Å; R227-E230 IonicContact CZ-OE2 3.46Å; R227-E230 IonicContact NH1-OE2 3.91Å; R227-E230 PolarHBondContact NH1-OE2 3.42Å; E230-R234 IonicContact OE2-NH1 2.88Å; E230-R234 PolarHBondContact OE2-NH1 3.37Å
231	D	98.7	Very high	98.7	Very high	52 Å²	52	23.1 Å²	23.1	28%	0.278	12%	0.116	S	C	.	.			trans	-155.2	107.6	-177.7	-179.1	-9.5	0	0	0	110.2	R227 V228 T233 R234	R227-D231 PolarHBondContact O-N 3.42Å; V228-D231 CarbonylContact O-C 3.53Å; V228-D231 PolarHBondContact O-N 3.09Å; D231-T233 PolarHBondContact O-N 2.86Å; D231-T233 WeakPolarHBondContact OD1-CB 3.34Å; D231-T233 PolarHBondContact OD1-N 2.86Å; D231-T233 PolarHBondContact OD1-OG1 3.21Å; D231-T233 PolarHBondContact OD2-OG1 3.37Å; D231-R234 HydrophobicContact CB-CG 3.94Å; D231-R234 VanDerWaalsContact CB-CZ 3.45Å; D231-R234 WeakPolarHBondContact O-CB 3.43Å; D231-R234 PolarHBondContact O-N 3.35Å; D231-R234 VanDerWaalsContact O-N 3.07Å; D231-R234 IonicContact OD2-CZ 3.29Å; D231-R234 IonicContact OD2-NE 3.95Å; D231-R234 PolarHBondContact OD2-NE 3.06Å; D231-R234 IonicContact OD2-NH2 3.79Å
232	K	98.6	Very high	98.7	Very high	105 Å²	105	25.8 Å²	25.8	46%	0.457	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.1	-178.2	-65.8	-175.2	168	-161.5	0	113.9	V228 R234 D301 E303 Y304	V228-K232 PolarHBondContact O-N 2.57Å; K232-R234 VanDerWaalsContact C-N 3.32Å; K232-D301 HydrophobicContact CB-CB 3.95Å; K232-D301 VanDerWaalsContact CD-OD2 3.29Å; K232-D301 WeakPolarHBondContact CD-OD2 3.47Å; K232-D301 WeakPolarHBondContact CE-OD2 3.34Å; K232-D301 HydrophobicContact CG-CB 4.24Å; K232-D301 WeakPolarHBondContact CG-OD2 3.23Å; K232-D301 IonicContact NZ-OD2 2.74Å; K232-E303 IonicContact NZ-OE2 2.97Å; K232-Y304 WeakPolarHBondContact O-CD1 3.34Å
233	T	98.8	Very high	98.7	Very high	37 Å²	37	25.1 Å²	25.1	23%	0.227	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.4	179.8	72.8	0	0	0	0	113.5	D231 Y304 G334 S335	D231-T233 PolarHBondContact O-N 2.86Å; D231-T233 WeakPolarHBondContact OD1-CB 3.34Å; D231-T233 PolarHBondContact OD1-N 2.86Å; D231-T233 PolarHBondContact OD1-OG1 3.21Å; D231-T233 PolarHBondContact OD2-OG1 3.37Å; T233-Y304 HydrophobicContact CG2-CE2 4.18Å; T233-Y304 WeakPolarHBondContact O-CE1 3.46Å; T233-G334 VanDerWaalsContact O-CA 3.3Å; T233-G334 WeakPolarHBondContact O-CA 3.48Å; T233-S335 PolarHBondContact O-N 2.83Å
234	R	98.9	Very high	98.6	Very high	45 Å²	45	27.6 Å²	27.6	17%	0.17	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.7	173.7	-62.7	176.6	-168.9	153.6	-0.4	110.1	R227 E230 D231 K232 V236	R227-R234 PolarHBondContact O-NH1 3.34Å; E230-R234 IonicContact OE2-NH1 2.88Å; E230-R234 PolarHBondContact OE2-NH1 3.37Å; D231-R234 HydrophobicContact CB-CG 3.94Å; D231-R234 VanDerWaalsContact CB-CZ 3.45Å; D231-R234 WeakPolarHBondContact O-CB 3.43Å; D231-R234 PolarHBondContact O-N 3.35Å; D231-R234 VanDerWaalsContact O-N 3.07Å; D231-R234 IonicContact OD2-CZ 3.29Å; D231-R234 IonicContact OD2-NE 3.95Å; D231-R234 PolarHBondContact OD2-NE 3.06Å; D231-R234 IonicContact OD2-NH2 3.79Å; K232-R234 VanDerWaalsContact C-N 3.32Å; R234-V236 HydrophobicContact CB-CG1 4.06Å
235	V	98.9	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.6	170.1	176.4	0	0	0	0	106.9	F298 M300 Y304 V329 S335 L336 E337	V235-F298 HydrophobicContact CG1-CB 4.38Å; V235-F298 HydrophobicContact CG1-CD2 3.73Å; V235-F298 HydrophobicContact CG1-CE2 4.42Å; V235-F298 HydrophobicContact CG1-CG 4.36Å; V235-M300 HydrophobicContact CG1-CB 4.47Å; V235-M300 HydrophobicContact CG2-CB 4.28Å; V235-M300 HydrophobicContact CG2-CE 3.69Å; V235-M300 HydrophobicContact CG2-CG 3.76Å; V235-M300 HydrophobicContact CG2-SD 3.65Å; V235-Y304 HydrophobicContact CG2-CD1 4.49Å; V235-Y304 HydrophobicContact CG2-CE1 4.31Å; V235-V329 HydrophobicContact CB-CG1 4.49Å; V235-V329 HydrophobicContact CG2-CG1 4.09Å; V235-V329 HydrophobicContact CG2-CG2 3.96Å; V235-S335 PolarHBondContact N-O 2.71Å; V235-L336 HydrophobicContact CB-CD2 3.72Å; V235-L336 HydrophobicContact CG1-CD2 3.82Å; V235-L336 VanDerWaalsContact O-CA 3.28Å; V235-L336 WeakPolarHBondContact O-CA 3.33Å; V235-E337 PolarHBondContact O-N 2.64Å
236	V	98.9	Very high	98.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.6	-165.2	-57.2	0	0	0	0	111.7	L224 R227 V228 R234 F298 V299 E337 I339	L224-V236 HydrophobicContact CB-CG2 3.86Å; L224-V236 HydrophobicContact CD2-CB 4.32Å; L224-V236 HydrophobicContact CD2-CG2 3.91Å; L224-V236 HydrophobicContact CG-CG2 4.49Å; L224-V236 WeakPolarHBondContact O-CG2 3.33Å; R227-V236 HydrophobicContact CB-CG1 3.77Å; R227-V236 HydrophobicContact CG-CG1 4.44Å; V228-V236 HydrophobicContact CG2-CG2 3.81Å; R234-V236 HydrophobicContact CB-CG1 4.06Å; V236-F298 CarbonylContact O-C 3.49Å; V236-F298 VanDerWaalsContact O-CA 3.23Å; V236-F298 WeakPolarHBondContact O-CA 3.34Å; V236-F298 WeakPolarHBondContact O-CB 3.47Å; V236-V299 HydrophobicContact CG2-CB 3.92Å; V236-V299 PolarHBondContact N-O 3.24Å; V236-V299 PolarHBondContact O-N 3.34Å; V236-E337 CarbonylContact C-O 3.04Å; V236-E337 WeakPolarHBondContact CA-O 3.23Å; V236-E337 HydrophobicContact CG1-CB 4.01Å; V236-E337 HydrophobicContact CG1-CG 4.44Å; V236-I339 HydrophobicContact CB-CD1 4.38Å; V236-I339 HydrophobicContact CB-CG1 3.98Å; V236-I339 HydrophobicContact CG1-CD1 4.35Å; V236-I339 HydrophobicContact CG1-CG1 4.46Å
237	S	98.8	Very high	98.4	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.2	-177.1	55.1	0	0	0	0	111	L297 E337 I338 I339	S237-L297 WeakPolarHBondContact CB-O 3.46Å; S237-E337 PolarHBondContact N-O 3.14Å; S237-E337 PolarHBondContact OG-O 3.25Å; S237-I338 CarbonylContact O-C 3.56Å; S237-I338 WeakPolarHBondContact O-CA 3.32Å; S237-I338 WeakPolarHBondContact OG-CG1 3.46Å; S237-I339 PolarHBondContact O-N 2.76Å
238	P	98.8	Very high	98.4	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	164.5	171.2	32.7	-36.3	0	0	0	110.7	I240 L297 S342 V344	P238-I240 HydrophobicContact CG-CG1 4.48Å; P238-I240 PolarHBondContact O-N 2.86Å; P238-L297 HydrophobicContact CG-CB 4.07Å; P238-L297 HydrophobicContact CG-CD2 4.25Å; P238-S342 WeakPolarHBondContact CA-O 3.43Å; P238-S342 WeakPolarHBondContact CB-O 3.49Å; P238-S342 WeakPolarHBondContact CB-OG 3.33Å; P238-V344 HydrophobicContact CB-CB 4.24Å; P238-V344 HydrophobicContact CB-CG2 3.84Å; P238-V344 HydrophobicContact CG-CB 3.97Å; P238-V344 HydrophobicContact CG-CG2 3.78Å
239	I	98.6	Very high	98.4	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.046	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.3	152.5	-69.3	176.4	0	0	0	107.4	D241 A253 A255 I338 P340 S342 V344	I239-D241 PolarHBondContact O-N 3.04Å; I239-A253 HydrophobicContact CG2-CB 3.91Å; I239-A255 HydrophobicContact CD1-CB 3.8Å; I239-I338 HydrophobicContact CG1-CG2 3.65Å; I239-P340 HydrophobicContact CD1-CB 3.94Å; I239-S342 PolarHBondContact N-O 2.79Å; I239-V344 PolarHBondContact O-N 3.42Å
240	I	98.5	Very high	98.4	Very high	11 Å²	11	37 Å²	37	6%	0.056	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	104.4	-178.2	-53.9	170.1	0	0	0	108.4	P238 A253 W269 A294 L297 V344 H346 F348	P238-I240 HydrophobicContact CG-CG1 4.48Å; P238-I240 PolarHBondContact O-N 2.86Å; I240-A253 WeakPolarHBondContact O-CB 3.35Å; I240-W269 HydrophobicContact CD1-CH2 4.23Å; I240-W269 HydrophobicContact CD1-CZ2 4.23Å; I240-A294 HydrophobicContact CD1-CB 3.81Å; I240-L297 HydrophobicContact CD1-CD1 3.93Å; I240-L297 HydrophobicContact CG1-CD1 4.3Å; I240-L297 HydrophobicContact CG2-CD1 4.44Å; I240-V344 CarbonylContact C-O 3.56Å; I240-V344 VanDerWaalsContact CA-O 3.3Å; I240-V344 WeakPolarHBondContact CA-O 3.37Å; I240-H346 HydrophobicContact CG2-CB 3.45Å; I240-H346 VanDerWaalsContact CG2-CB 3.45Å; I240-F348 HydrophobicContact CB-CZ 4.31Å; I240-F348 HydrophobicContact CG2-CE2 3.88Å; I240-F348 HydrophobicContact CG2-CZ 3.57Å
241	D	98.5	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	161.2	174.9	-72.6	-20.2	0	0	0	110.9	T108 I239 Y250 V251 G252 A253 R343 V344 G345 H346	T108-D241 WeakPolarHBondContact CB-OD2 3.13Å; T108-D241 PolarHBondContact OG1-OD2 2.88Å; I239-D241 PolarHBondContact O-N 3.04Å; D241-Y250 HydrophobicContact CB-CD1 4.39Å; D241-Y250 HydrophobicContact CB-CE1 3.58Å; D241-Y250 WeakPolarHBondContact OD2-CE1 3.31Å; D241-Y250 PolarHBondContact OD2-OH 3.31Å; D241-Y250 VanDerWaalsContact OD2-OH 3.11Å; D241-V251 WeakPolarHBondContact CB-O 3.36Å; D241-G252 WeakPolarHBondContact OD1-CA 3.48Å; D241-A253 PolarHBondContact OD1-N 2.94Å; D241-R343 IonicContact OD1-CZ 3.64Å; D241-R343 IonicContact OD1-NH1 2.66Å; D241-R343 PolarHBondContact OD1-NH1 3.13Å; D241-R343 WeakPolarHBondContact OD2-CD 3.29Å; D241-R343 IonicContact OD2-NH1 3.71Å; D241-V344 PolarHBondContact N-O 2.99Å; D241-G345 CarbonylContact O-C 3.55Å; D241-G345 WeakPolarHBondContact O-CA 3.17Å; D241-H346 PolarHBondContact O-N 3.19Å
242	V	98.3	Very high	98.2	Very high	55 Å²	55	35.6 Å²	35.6	33%	0.333	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.7	-175.3	179.7	0	0	0	0	109.8	V251 F348	V242-V251 PolarHBondContact N-O 3.38Å; V242-V251 PolarHBondContact O-N 2.8Å; V242-F348 HydrophobicContact CB-CD2 4.33Å; V242-F348 HydrophobicContact CG1-CD2 4.18Å; V242-F348 HydrophobicContact CG2-CD2 3.99Å; V242-F348 HydrophobicContact CG2-CE2 3.93Å
243	I	98.7	Very high	98	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.4	160.4	-57.3	164.2	0	0	0	106.5	E215 M245 F248 Q249 Y250 H346 V347	E215-I243 HydrophobicContact CB-CD1 3.95Å; E215-I243 HydrophobicContact CG-CD1 3.83Å; E215-I243 WeakPolarHBondContact OE1-CD1 3.34Å; I243-M245 PolarHBondContact O-N 2.9Å; I243-F248 HydrophobicContact CG2-CB 4.3Å; I243-F248 HydrophobicContact CG2-CD1 3.74Å; I243-F248 HydrophobicContact CG2-CE1 4.28Å; I243-F248 HydrophobicContact CG2-CG 4.23Å; I243-Q249 WeakPolarHBondContact CA-O 3.23Å; I243-Y250 HydrophobicContact CG1-CD2 3.95Å; I243-H346 PolarHBondContact N-O 3.29Å; I243-V347 HydrophobicContact CB-CG2 3.83Å; I243-V347 HydrophobicContact CD1-CG2 4.18Å; I243-V347 HydrophobicContact CG2-CG2 3.75Å
244	N	97.8	Very high	97.7	Very high	52 Å²	52	32.5 Å²	32.5	28%	0.278	19%	0.186	S	C	.	.			trans	-61.7	128.4	-176	178	-72.5	0	0	0	110.8	D246 N247 F248 Q249	N244-D246 PolarHBondContact O-N 3.16Å; N244-D246 WeakPolarHBondContact OD1-CA 3.08Å; N244-D246 WeakPolarHBondContact OD1-CB 3.36Å; N244-D246 PolarHBondContact OD1-N 2.96Å; N244-N247 VanDerWaalsContact CB-OD1 3.23Å; N244-N247 WeakPolarHBondContact CB-OD1 3.36Å; N244-N247 VanDerWaalsContact CG-OD1 3.32Å; N244-N247 PolarHBondContact OD1-N 2.79Å; N244-N247 PolarHBondContact OD1-OD1 3.1Å; N244-F248 WeakPolarHBondContact O-CA 3.33Å; N244-F248 PolarHBondContact O-N 2.89Å; N244-Q249 PolarHBondContact N-O 3.14Å
245	M	96.8	Very high	97.5	Very high	29 Å²	29	31.9 Å²	31.9	14%	0.143	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.8	-175.2	62	178.7	-76.5	0	0	115	Y86 K90 F91 N92 I243 V347 F348 K350	Y86-M245 HydrophobicContact CD1-CE 4.32Å; Y86-M245 HydrophobicContact CE1-CE 4.24Å; K90-M245 WeakPolarHBondContact O-CE 3.33Å; F91-M245 HydrophobicContact CB-CB 3.86Å; N92-M245 WeakPolarHBondContact CB-O 3.49Å; N92-M245 PolarHBondContact N-O 3.4Å; I243-M245 PolarHBondContact O-N 2.9Å; M245-V347 HydrophobicContact CB-CG1 4.23Å; M245-F348 WeakPolarHBondContact CB-O 3.49Å; M245-K350 HydrophobicContact SD-CG 4.15Å
246	D	96.8	Very high	97.2	Very high	71 Å²	71	34.8 Å²	34.8	38%	0.38	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-41.2	-175.9	-60.3	-49.1	0	0	0	112.3	Y86 N92 E95 N244	Y86-D246 WeakPolarHBondContact CE1-OD1 3.34Å; Y86-D246 VanDerWaalsContact CZ-OD1 3.31Å; Y86-D246 PolarHBondContact OH-OD1 2.98Å; N92-D246 WeakPolarHBondContact CB-O 3.45Å; N92-D246 PolarHBondContact ND2-O 2.73Å; E95-D246 VanDerWaalsContact CG-O 3.25Å; E95-D246 WeakPolarHBondContact CG-O 3.5Å; N244-D246 PolarHBondContact O-N 3.16Å; N244-D246 WeakPolarHBondContact OD1-CA 3.08Å; N244-D246 WeakPolarHBondContact OD1-CB 3.36Å; N244-D246 PolarHBondContact OD1-N 2.96Å
247	N	97.7	Very high	96.9	Very high	69 Å²	69	36.2 Å²	36.2	37%	0.369	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-0.5	-173.4	68.1	24.6	0	0	0	114.4	N244 Q249	N244-N247 VanDerWaalsContact CB-OD1 3.23Å; N244-N247 WeakPolarHBondContact CB-OD1 3.36Å; N244-N247 VanDerWaalsContact CG-OD1 3.32Å; N244-N247 PolarHBondContact OD1-N 2.79Å; N244-N247 PolarHBondContact OD1-OD1 3.1Å; N247-Q249 PolarHBondContact O-N 2.96Å; N247-Q249 VanDerWaalsContact O-N 3.09Å; N247-Q249 VanDerWaalsContact OD1-CB 3.29Å; N247-Q249 WeakPolarHBondContact OD1-CB 3.29Å; N247-Q249 WeakPolarHBondContact OD1-CG 3.45Å; N247-Q249 PolarHBondContact OD1-N 2.73Å
248	F	98.3	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.			trans	58.7	16.9	179.7	-82	-104.9	0	0	0	115.7	F91 N92 E95 S96 L99 R103 I243 N244 Y250 V347	F91-F248 HydrophobicContact CB-CE2 4.42Å; F91-F248 HydrophobicContact CB-CZ 4.41Å; F91-F248 AromaticContact CD2-CE2 3.83Å; F91-F248 HydrophobicContact CD2-CE2 3.83Å; F91-F248 AromaticContact CD2-CZ 3.46Å; F91-F248 HydrophobicContact CD2-CZ 3.46Å; F91-F248 VanDerWaalsContact CD2-CZ 3.46Å; F91-F248 HydrophobicContact CE2-CE2 4.49Å; F91-F248 AromaticContact CE2-CZ 3.79Å; F91-F248 HydrophobicContact CE2-CZ 3.79Å; F91-F248 HydrophobicContact CG-CE2 4.37Å; F91-F248 AromaticContact CG-CZ 3.97Å; F91-F248 HydrophobicContact CG-CZ 3.97Å; N92-F248 WeakPolarHBondContact O-CE2 3.46Å; E95-F248 HydrophobicContact CB-CD2 3.93Å; S96-F248 VanDerWaalsContact CB-CZ 3.44Å; L99-F248 HydrophobicContact CD1-CB 3.6Å; L99-F248 HydrophobicContact CD1-CD1 3.96Å; L99-F248 HydrophobicContact CD1-CG 4Å; R103-F248 VanDerWaalsContact CZ-O 3.27Å; R103-F248 PolarHBondContact NH1-O 2.83Å; R103-F248 PolarHBondContact NH2-O 3.21Å; I243-F248 HydrophobicContact CG2-CB 4.3Å; I243-F248 HydrophobicContact CG2-CD1 3.74Å; I243-F248 HydrophobicContact CG2-CE1 4.28Å; I243-F248 HydrophobicContact CG2-CG 4.23Å; N244-F248 WeakPolarHBondContact O-CA 3.33Å; N244-F248 PolarHBondContact O-N 2.89Å; F248-Y250 PolarHBondContact O-N 3.14Å; F248-V347 HydrophobicContact CE1-CG2 3.82Å; F248-V347 HydrophobicContact CZ-CG1 4.39Å; F248-V347 HydrophobicContact CZ-CG2 4.26Å
249	Q	98.4	Very high	96.4	Very high	120 Å²	120	36.2 Å²	36.2	56%	0.561	21%	0.213	S	C	*	.			trans	-62.7	136.1	170.8	-71.4	-178.6	-9.6	0	0	110.6	I243 N244 N247	I243-Q249 WeakPolarHBondContact CA-O 3.23Å; N244-Q249 PolarHBondContact N-O 3.14Å; N247-Q249 PolarHBondContact O-N 2.96Å; N247-Q249 VanDerWaalsContact O-N 3.09Å; N247-Q249 VanDerWaalsContact OD1-CB 3.29Å; N247-Q249 WeakPolarHBondContact OD1-CB 3.29Å; N247-Q249 WeakPolarHBondContact OD1-CG 3.45Å; N247-Q249 PolarHBondContact OD1-N 2.73Å
250	Y	98.7	Very high	96.1	Very high	18 Å²	18	35.8 Å²	35.8	7%	0.071	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.6	176.1	-170.8	-68.9	0	0	0	109.1	V105 P106 T108 E215 N217 D241 I243 F248 G345	V105-Y250 HydrophobicContact CB-CD1 4.42Å; V105-Y250 HydrophobicContact CB-CD2 3.91Å; V105-Y250 HydrophobicContact CB-CE2 4.3Å; V105-Y250 HydrophobicContact CB-CG 3.97Å; V105-Y250 HydrophobicContact CG1-CD2 3.7Å; V105-Y250 HydrophobicContact CG1-CE2 4.32Å; V105-Y250 HydrophobicContact CG1-CG 4.07Å; V105-Y250 HydrophobicContact CG2-CD2 4.48Å; V105-Y250 HydrophobicContact CG2-CE2 4.38Å; P106-Y250 HydrophobicContact CG-CD1 3.99Å; T108-Y250 HydrophobicContact CG2-CD1 4.24Å; T108-Y250 HydrophobicContact CG2-CE1 3.85Å; E215-Y250 HydrophobicContact CB-CD2 4.36Å; E215-Y250 HydrophobicContact CB-CE2 4.11Å; N217-Y250 PolarHBondContact ND2-OH 2.74Å; D241-Y250 HydrophobicContact CB-CD1 4.39Å; D241-Y250 HydrophobicContact CB-CE1 3.58Å; D241-Y250 WeakPolarHBondContact OD2-CE1 3.31Å; D241-Y250 PolarHBondContact OD2-OH 3.31Å; D241-Y250 VanDerWaalsContact OD2-OH 3.11Å; I243-Y250 HydrophobicContact CG1-CD2 3.95Å; F248-Y250 PolarHBondContact O-N 3.14Å; Y250-G345 VanDerWaalsContact CE2-CA 3.45Å; Y250-G345 PolarHBondContact OH-N 3.1Å
251	V	98	Very high	95.8	Very high	77 Å²	77	35.2 Å²	35.2	47%	0.467	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.9	-174.5	-176.8	0	0	0	0	109.9	D241 V242 A253	D241-V251 WeakPolarHBondContact CB-O 3.36Å; V242-V251 PolarHBondContact N-O 3.38Å; V242-V251 PolarHBondContact O-N 2.8Å; V251-A253 PolarHBondContact O-N 3.23Å
252	G	96.5	Very high	95.1	Very high	38 Å²	38	37.6 Å²	37.6	39%	0.392	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-64.5	131.9	178.6	0	0	0	0	0	112.5	D241	D241-G252 WeakPolarHBondContact OD1-CA 3.48Å
253	A	94.4	Very high	94.7	Very high	24 Å²	24	35.3 Å²	35.3	20%	0.198	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-80.7	157.8	171.4	0	0	0	0	0	111.7	I239 I240 D241 V251 R343	I239-A253 HydrophobicContact CG2-CB 3.91Å; I240-A253 WeakPolarHBondContact O-CB 3.35Å; D241-A253 PolarHBondContact OD1-N 2.94Å; V251-A253 PolarHBondContact O-N 3.23Å; A253-R343 PolarHBondContact O-NH1 2.85Å
254	S	92.5	Very high	93.9	Very high	53 Å²	53	38.3 Å²	38.3	37%	0.371	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-65.6	136.8	175.6	178.2	0	0	0	0	111.3	D256	S254-D256 VanDerWaalsContact C-N 3.28Å; S254-D256 PolarHBondContact OG-N 3.02Å
255	A	92.8	Very high	93.5	Very high	33 Å²	33	35.9 Å²	35.9	27%	0.273	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.3	174.6	0	0	0	0	0	113.5	I239 L257 M272	I239-A255 HydrophobicContact CD1-CB 3.8Å; A255-L257 VanDerWaalsContact C-N 3.29Å; A255-M272 WeakPolarHBondContact O-CE 3.11Å
256	D	93.1	Very high	93	Very high	61 Å²	61	37.8 Å²	37.8	33%	0.326	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	16.5	178.9	-72.7	-10.3	0	0	0	112.6	S254 M272 R277	S254-D256 VanDerWaalsContact C-N 3.28Å; S254-D256 PolarHBondContact OG-N 3.02Å; D256-M272 WeakPolarHBondContact O-CG 3.49Å; D256-M272 PolarHBondContact O-N 3.32Å; D256-R277 WeakPolarHBondContact OD2-CD 3.4Å
257	L	92.1	Very high	92.6	Very high	29 Å²	29	36.7 Å²	36.7	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.6	-179	-62.2	175.8	0	0	0	111.5	A255 W269 D270 Y271	A255-L257 VanDerWaalsContact C-N 3.29Å; L257-W269 HydrophobicContact CB-CE3 4.04Å; L257-W269 HydrophobicContact CD1-CB 4.29Å; L257-W269 HydrophobicContact CD1-CG 4.46Å; L257-W269 HydrophobicContact CD2-CB 4.33Å; L257-D270 WeakPolarHBondContact CA-O 3.44Å; L257-Y271 HydrophobicContact CD2-CD1 3.83Å; L257-Y271 HydrophobicContact CD2-CD2 4.08Å; L257-Y271 HydrophobicContact CD2-CE1 3.87Å; L257-Y271 HydrophobicContact CD2-CE2 4.11Å; L257-Y271 HydrophobicContact CD2-CG 3.95Å
258	K	94.8	Very high	91.9	Very high	10 Å²	10	35.3 Å²	35.3	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158.1	166	62.8	179.9	-176.1	173.6	0	109.7	D270 Q276 I288 E423	K258-D270 HydrophobicContact CG-CB 4.14Å; K258-D270 PolarHBondContact N-O 2.84Å; K258-D270 PolarHBondContact O-N 3.34Å; K258-Q276 VanDerWaalsContact NZ-NE2 3.12Å; K258-I288 HydrophobicContact CB-CG2 4.4Å; K258-E423 IonicContact NZ-OE1 3.97Å; K258-E423 PolarHBondContact NZ-OE1 3.26Å; K258-E423 IonicContact NZ-OE2 3.67Å; K258-E423 PolarHBondContact NZ-OE2 2.92Å
259	G	93.8	Very high	91.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.1	176.8	0	0	0	0	0	111.5	T290 P291 M292	G259-T290 PolarHBondContact N-OG1 3.28Å; G259-T290 PolarHBondContact O-OG1 2.94Å; G259-P291 VanDerWaalsContact O-CD 3.29Å; G259-P291 WeakPolarHBondContact O-CD 3.49Å; G259-M292 VanDerWaalsContact CA-O 3.31Å; G259-M292 WeakPolarHBondContact CA-O 3.19Å; G259-M292 PolarHBondContact O-N 3.46Å
260	G	92.3	Very high	90.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-179.2	-176.9	0	0	0	0	0	112	K268 M292 Y421	G260-K268 PolarHBondContact N-O 3.01Å; G260-K268 PolarHBondContact O-N 3.07Å; G260-K268 VanDerWaalsContact O-O 3.08Å; G260-M292 VanDerWaalsContact C-CE 3.41Å; G260-M292 WeakPolarHBondContact O-CE 3.05Å; G260-Y421 VanDerWaalsContact CA-OH 3.23Å; G260-Y421 WeakPolarHBondContact CA-OH 3.42Å
261	F	92.6	Very high	90.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.6	177.3	58.3	-77.9	0	0	0	110.7	L265 V266 M292 L323 F327 F413 Y416 Y421 L424	F261-L265 HydrophobicContact CD2-CD2 3.58Å; F261-L265 HydrophobicContact CE2-CD2 3.68Å; F261-V266 WeakPolarHBondContact CA-O 3.31Å; F261-V266 WeakPolarHBondContact CB-O 3.38Å; F261-M292 HydrophobicContact CB-CE 3.55Å; F261-M292 HydrophobicContact CD1-CE 3.74Å; F261-M292 HydrophobicContact CD1-SD 4.44Å; F261-M292 HydrophobicContact CG-CE 4.04Å; F261-L323 HydrophobicContact CG-CD2 4.42Å; F261-F327 HydrophobicContact CD1-CE1 4.47Å; F261-F327 AromaticContact CE1-CE1 3.6Å; F261-F327 HydrophobicContact CE1-CE1 3.6Å; F261-F327 AromaticContact CE1-CZ 3.97Å; F261-F327 HydrophobicContact CE1-CZ 3.97Å; F261-F327 HydrophobicContact CE2-CZ 4.14Å; F261-F327 AromaticContact CZ-CE1 3.63Å; F261-F327 HydrophobicContact CZ-CE1 3.63Å; F261-F327 AromaticContact CZ-CZ 3.68Å; F261-F327 HydrophobicContact CZ-CZ 3.68Å; F261-F413 HydrophobicContact CZ-CZ 4.19Å; F261-Y416 HydrophobicContact CE1-CE1 4.08Å; F261-Y416 HydrophobicContact CZ-CE1 4.12Å; F261-Y421 AromaticContact CD1-CD1 3.97Å; F261-Y421 HydrophobicContact CD1-CD1 3.97Å; F261-Y421 AromaticContact CD1-CE1 3.55Å; F261-Y421 HydrophobicContact CD1-CE1 3.55Å; F261-Y421 AromaticContact CE1-CD1 3.48Å; F261-Y421 HydrophobicContact CE1-CD1 3.48Å; F261-Y421 VanDerWaalsContact CE1-CD1 3.48Å; F261-Y421 AromaticContact CE1-CE1 3.57Å; F261-Y421 HydrophobicContact CE1-CE1 3.57Å; F261-Y421 HydrophobicContact CG-CE1 4.18Å; F261-Y421 AromaticContact CZ-CD1 3.99Å; F261-Y421 HydrophobicContact CZ-CD1 3.99Å; F261-Y421 HydrophobicContact CZ-CE1 4.19Å; F261-Y421 PolarHBondContact N-OH 3.03Å; F261-Y421 PolarHBondContact O-OH 3.39Å; F261-L424 HydrophobicContact CD2-CD2 4.13Å; F261-L424 HydrophobicContact CE1-CD2 4.45Å; F261-L424 HydrophobicContact CE2-CD2 3.47Å; F261-L424 VanDerWaalsContact CE2-CD2 3.47Å; F261-L424 HydrophobicContact CZ-CD2 3.66Å
262	D	83.8	Confident	90	Very high	50 Å²	50	38.6 Å²	38.6	27%	0.267	21%	0.207	S	C	.	.			trans	-95.2	172.7	162.8	-66.2	-44.4	0	0	0	110.3	N264 L265 K268	D262-N264 PolarHBondContact O-N 3.33Å; D262-N264 PolarHBondContact O-OD1 3.17Å; D262-L265 WeakPolarHBondContact O-CA 3.39Å; D262-L265 PolarHBondContact O-N 2.89Å; D262-K268 VanDerWaalsContact CG-CE 3.5Å; D262-K268 VanDerWaalsContact CG-NZ 3.32Å; D262-K268 WeakPolarHBondContact OD1-CE 3.08Å; D262-K268 IonicContact OD1-NZ 3.68Å; D262-K268 PolarHBondContact OD1-NZ 3Å; D262-K268 IonicContact OD2-NZ 3.83Å; D262-K268 PolarHBondContact OD2-NZ 2.81Å
263	W	88.9	Confident	89.7	Confident	6 Å²	6	39.4 Å²	39.4	2%	0.023	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-11.4	-177.6	-67.9	110.6	0	0	0	114.9	L265 M376 Y379 F382 Y383 A386 F413 L417 L424 R425 V426 L554	W263-L265 PolarHBondContact O-N 2.74Å; W263-M376 HydrophobicContact CE3-CE 4.18Å; W263-M376 HydrophobicContact CZ3-CE 3.82Å; W263-Y379 AromaticContact CH2-CD1 4Å; W263-Y379 HydrophobicContact CH2-CD1 4Å; W263-F382 HydrophobicContact CB-CB 4.42Å; W263-F382 HydrophobicContact CD2-CB 3.67Å; W263-F382 HydrophobicContact CD2-CG 4.37Å; W263-F382 HydrophobicContact CE3-CB 3.54Å; W263-F382 HydrophobicContact CE3-CD2 4.34Å; W263-F382 HydrophobicContact CE3-CG 4.36Å; W263-F382 HydrophobicContact CG-CB 4.06Å; W263-F382 HydrophobicContact CH2-CD2 4.01Å; W263-F382 HydrophobicContact CZ2-CD2 4.25Å; W263-F382 HydrophobicContact CZ3-CB 4.08Å; W263-F382 HydrophobicContact CZ3-CD2 4.06Å; W263-Y383 WeakPolarHBondContact O-CA 3.26Å; W263-A386 HydrophobicContact CB-CB 4.22Å; W263-F413 HydrophobicContact CZ3-CE1 4.39Å; W263-L417 HydrophobicContact CH2-CD1 4.1Å; W263-L417 HydrophobicContact CH2-CD2 4.25Å; W263-L424 HydrophobicContact CH2-CD2 3.96Å; W263-L424 HydrophobicContact CH2-CG 4.49Å; W263-L424 HydrophobicContact CZ2-CD1 4.45Å; W263-L424 HydrophobicContact CZ2-CD2 3.81Å; W263-L424 HydrophobicContact CZ2-CG 3.87Å; W263-L424 HydrophobicContact CZ3-CD2 4.37Å; W263-R425 PolarHBondContact NE1-O 2.93Å; W263-V426 HydrophobicContact CZ2-CB 4.42Å; W263-V426 HydrophobicContact CZ2-CG2 4.04Å; W263-L554 HydrophobicContact CB-CD1 4.27Å; W263-L554 HydrophobicContact CB-CD2 3.73Å; W263-L554 HydrophobicContact CB-CG 4.48Å; W263-L554 HydrophobicContact CG-CD2 4.1Å
264	N	81.1	Confident	89.6	Confident	64 Å²	64	42.7 Å²	42.7	34%	0.342	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-4.3	167.5	67.9	3.3	0	0	0	113.6	D262 V266 A386 V387	D262-N264 PolarHBondContact O-N 3.33Å; D262-N264 PolarHBondContact O-OD1 3.17Å; N264-V266 VanDerWaalsContact C-N 3.28Å; N264-V266 PolarHBondContact O-N 2.82Å; N264-V266 PolarHBondContact OD1-N 3.09Å; N264-A386 HydrophobicContact CB-CB 4.38Å; N264-V387 HydrophobicContact CB-CG2 3.92Å
265	L	91.3	Very high	89.6	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.235	C	C	.	.			trans	56.8	39.9	-178.8	-55.9	-177.5	0	0	0	112.6	F261 D262 W263 L323 T368 A372 M376 Y383	F261-L265 HydrophobicContact CD2-CD2 3.58Å; F261-L265 HydrophobicContact CE2-CD2 3.68Å; D262-L265 WeakPolarHBondContact O-CA 3.39Å; D262-L265 PolarHBondContact O-N 2.89Å; W263-L265 PolarHBondContact O-N 2.74Å; L265-L323 HydrophobicContact CB-CD1 3.81Å; L265-L323 HydrophobicContact CB-CD2 4.39Å; L265-L323 WeakPolarHBondContact O-CD1 3.31Å; L265-T368 HydrophobicContact CB-CG2 3.57Å; L265-T368 HydrophobicContact CD1-CG2 3.51Å; L265-T368 HydrophobicContact CG-CG2 4.15Å; L265-A372 HydrophobicContact CD1-CB 4.09Å; L265-M376 HydrophobicContact CD1-CE 4.24Å; L265-M376 HydrophobicContact CD1-SD 3.54Å; L265-M376 VanDerWaalsContact CD1-SD 3.54Å; L265-M376 HydrophobicContact CD2-CE 3.89Å; L265-M376 HydrophobicContact CD2-SD 3.95Å; L265-M376 HydrophobicContact CG-SD 4.39Å; L265-Y383 HydrophobicContact CB-CD2 4.11Å; L265-Y383 HydrophobicContact CB-CE2 4.36Å; L265-Y383 HydrophobicContact CD1-CD1 4.11Å; L265-Y383 HydrophobicContact CD1-CD2 3.58Å; L265-Y383 HydrophobicContact CD1-CE2 4.15Å; L265-Y383 HydrophobicContact CD1-CG 3.54Å; L265-Y383 HydrophobicContact CG-CD2 3.62Å; L265-Y383 HydrophobicContact CG-CE2 4.31Å; L265-Y383 HydrophobicContact CG-CG 3.99Å
266	V	85	Confident	89.7	Confident	68 Å²	68	48.6 Å²	48.6	41%	0.412	23%	0.234	S	C	.	.			trans	-103	134.2	168.8	-178.8	0	0	0	0	108.5	F261 N264 F364	F261-V266 WeakPolarHBondContact CA-O 3.31Å; F261-V266 WeakPolarHBondContact CB-O 3.38Å; N264-V266 VanDerWaalsContact C-N 3.28Å; N264-V266 PolarHBondContact O-N 2.82Å; N264-V266 PolarHBondContact OD1-N 3.09Å; V266-F364 HydrophobicContact CG2-CE1 4.06Å; V266-F364 HydrophobicContact CG2-CZ 4.01Å
267	F	88.6	Confident	89.7	Confident	49 Å²	49	50.5 Å²	50.5	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	136.8	175.2	175.7	-84.4	0	0	0	111.1	W269 M292 A294	F267-W269 AromaticContact CE1-CD2 3.91Å; F267-W269 HydrophobicContact CE1-CD2 3.91Å; F267-W269 AromaticContact CE1-CE2 3.62Å; F267-W269 HydrophobicContact CE1-CG 4.19Å; F267-W269 HydrophobicContact CE1-CZ2 4.02Å; F267-W269 AromaticContact CE1-NE1 3.7Å; F267-W269 AromaticContact CZ-CD2 3.87Å; F267-W269 HydrophobicContact CZ-CD2 3.87Å; F267-W269 AromaticContact CZ-CE2 3.78Å; F267-W269 HydrophobicContact CZ-CE3 4.02Å; F267-W269 HydrophobicContact CZ-CH2 4.05Å; F267-W269 AromaticContact CZ-CZ2 3.88Å; F267-W269 HydrophobicContact CZ-CZ2 3.88Å; F267-W269 HydrophobicContact CZ-CZ3 4.12Å; F267-M292 HydrophobicContact CB-CE 4.02Å; F267-M292 HydrophobicContact CD2-CE 3.55Å; F267-M292 HydrophobicContact CD2-CG 4.06Å; F267-M292 HydrophobicContact CD2-SD 4.17Å; F267-M292 HydrophobicContact CE2-CE 4.42Å; F267-M292 HydrophobicContact CE2-CG 4.48Å; F267-M292 HydrophobicContact CG-CE 4.19Å; F267-A294 HydrophobicContact CE1-CB 4.18Å; F267-A294 VanDerWaalsContact CE2-CA 3.48Å; F267-A294 HydrophobicContact CE2-CB 4.07Å; F267-A294 HydrophobicContact CZ-CB 3.85Å
268	K	83.9	Confident	89.8	Confident	39 Å²	39	56.5 Å²	56.5	17%	0.17	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	164.8	169.4	62.7	168.4	175.6	170	0	111	G260 D262 D270 N462	G260-K268 PolarHBondContact N-O 3.01Å; G260-K268 PolarHBondContact O-N 3.07Å; G260-K268 VanDerWaalsContact O-O 3.08Å; D262-K268 VanDerWaalsContact CG-CE 3.5Å; D262-K268 VanDerWaalsContact CG-NZ 3.32Å; D262-K268 WeakPolarHBondContact OD1-CE 3.08Å; D262-K268 IonicContact OD1-NZ 3.68Å; D262-K268 PolarHBondContact OD1-NZ 3Å; D262-K268 IonicContact OD2-NZ 3.83Å; D262-K268 PolarHBondContact OD2-NZ 2.81Å; K268-D270 WeakPolarHBondContact CD-OD1 3.44Å; K268-D270 WeakPolarHBondContact CE-OD1 3.5Å; K268-D270 IonicContact NZ-OD1 2.8Å; K268-D270 PolarHBondContact NZ-OD1 2.77Å; K268-N462 PolarHBondContact NZ-O 2.9Å
269	W	87	Confident	89.8	Confident	88 Å²	88	60.1 Å²	60.1	33%	0.333	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.2	169	-65.5	106.8	0	0	0	109.2	I240 L257 F267 A294 I338	I240-W269 HydrophobicContact CD1-CH2 4.23Å; I240-W269 HydrophobicContact CD1-CZ2 4.23Å; L257-W269 HydrophobicContact CB-CE3 4.04Å; L257-W269 HydrophobicContact CD1-CB 4.29Å; L257-W269 HydrophobicContact CD1-CG 4.46Å; L257-W269 HydrophobicContact CD2-CB 4.33Å; F267-W269 AromaticContact CE1-CD2 3.91Å; F267-W269 HydrophobicContact CE1-CD2 3.91Å; F267-W269 AromaticContact CE1-CE2 3.62Å; F267-W269 HydrophobicContact CE1-CG 4.19Å; F267-W269 HydrophobicContact CE1-CZ2 4.02Å; F267-W269 AromaticContact CE1-NE1 3.7Å; F267-W269 AromaticContact CZ-CD2 3.87Å; F267-W269 HydrophobicContact CZ-CD2 3.87Å; F267-W269 AromaticContact CZ-CE2 3.78Å; F267-W269 HydrophobicContact CZ-CE3 4.02Å; F267-W269 HydrophobicContact CZ-CH2 4.05Å; F267-W269 AromaticContact CZ-CZ2 3.88Å; F267-W269 HydrophobicContact CZ-CZ2 3.88Å; F267-W269 HydrophobicContact CZ-CZ3 4.12Å; W269-A294 HydrophobicContact CZ2-CB 4.44Å; W269-I338 HydrophobicContact CZ3-CD1 4.23Å
270	D	85.4	Confident	89.8	Confident	23 Å²	23	61.8 Å²	61.8	12%	0.123	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.2	172	-73.4	-22.4	0	0	0	110	L257 K258 K268 Y421	L257-D270 WeakPolarHBondContact CA-O 3.44Å; K258-D270 HydrophobicContact CG-CB 4.14Å; K258-D270 PolarHBondContact N-O 2.84Å; K258-D270 PolarHBondContact O-N 3.34Å; K268-D270 WeakPolarHBondContact CD-OD1 3.44Å; K268-D270 WeakPolarHBondContact CE-OD1 3.5Å; K268-D270 IonicContact NZ-OD1 2.8Å; K268-D270 PolarHBondContact NZ-OD1 2.77Å; D270-Y421 WeakPolarHBondContact OD2-CE2 3.35Å; D270-Y421 PolarHBondContact OD2-OH 3.05Å
271	Y	89.6	Confident	89.8	Confident	166 Å²	166	69 Å²	69	65%	0.651	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	136.7	165.3	-80.1	-86.2	0	0	0	110	L257	L257-Y271 HydrophobicContact CD2-CD1 3.83Å; L257-Y271 HydrophobicContact CD2-CD2 4.08Å; L257-Y271 HydrophobicContact CD2-CE1 3.87Å; L257-Y271 HydrophobicContact CD2-CE2 4.11Å; L257-Y271 HydrophobicContact CD2-CG 3.95Å
272	M	91.4	Very high	89.8	Confident	8 Å²	8	72.8 Å²	72.8	4%	0.039	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-57.9	143	171.3	-73	-178	-158.8	0	0	111.4	A255 D256 Q276 R277 R280 I288	A255-M272 WeakPolarHBondContact O-CE 3.11Å; D256-M272 WeakPolarHBondContact O-CG 3.49Å; D256-M272 PolarHBondContact O-N 3.32Å; M272-Q276 HydrophobicContact CB-CB 3.94Å; M272-Q276 HydrophobicContact CG-CB 4.32Å; M272-Q276 HydrophobicContact SD-CB 4.47Å; M272-R277 HydrophobicContact CB-CG 3.75Å; M272-R280 VanDerWaalsContact SD-CD 3.58Å; M272-I288 HydrophobicContact CE-CB 4.27Å; M272-I288 HydrophobicContact CE-CD1 3.43Å; M272-I288 VanDerWaalsContact CE-CD1 3.43Å; M272-I288 HydrophobicContact CE-CG1 3.67Å; M272-I288 HydrophobicContact CE-CG2 3.57Å
273	T	90.4	Very high	90.4	Very high	54 Å²	54	74.1 Å²	74.1	33%	0.331	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-62	162.7	172.8	71.3	0	0	0	0	110.7	E275 Q276 R277 E423	T273-E275 PolarHBondContact O-N 3.36Å; T273-Q276 PolarHBondContact O-N 3.26Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.33Å; T273-Q276 PolarHBondContact OG1-N 3.2Å; T273-R277 PolarHBondContact O-N 2.82Å; T273-E423 HydrophobicContact CG2-CG 4.1Å
274	L	91.2	Very high	90.7	Very high	94 Å²	94	75.6 Å²	75.6	49%	0.492	39%	0.386	S	S	.	.	H	α-helix	trans	-59	-37.8	176.7	-175.5	62.9	0	0	0	112	R277 R278	L274-R277 PolarHBondContact O-N 3.22Å; L274-R278 WeakPolarHBondContact O-CB 3.48Å; L274-R278 VanDerWaalsContact O-CG 3.31Å; L274-R278 WeakPolarHBondContact O-CG 3.48Å; L274-R278 PolarHBondContact O-N 3.38Å
275	E	92.6	Very high	91.4	Very high	158 Å²	158	73.9 Å²	73.9	74%	0.738	38%	0.376	S	S	*	.	H	α-helix	trans	-64.7	-46.6	176.8	-174	-179.9	175.3	0	0	111.8	T273 R277 R278 A279	T273-E275 PolarHBondContact O-N 3.36Å; E275-R277 VanDerWaalsContact C-N 3.34Å; E275-R277 PolarHBondContact O-N 2.93Å; E275-R278 PolarHBondContact O-N 2.73Å; E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.21Å
276	Q	94	Very high	91.7	Very high	52 Å²	52	74.9 Å²	74.9	24%	0.243	39%	0.385	C	S	.	.	H	α-helix	trans	-59.3	-43.7	176.6	-76.1	165.8	-13	0	0	111.8	K258 M272 T273 A279 R280 E423	K258-Q276 VanDerWaalsContact NZ-NE2 3.12Å; M272-Q276 HydrophobicContact CB-CB 3.94Å; M272-Q276 HydrophobicContact CG-CB 4.32Å; M272-Q276 HydrophobicContact SD-CB 4.47Å; T273-Q276 PolarHBondContact O-N 3.26Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.33Å; T273-Q276 PolarHBondContact OG1-N 3.2Å; Q276-A279 PolarHBondContact O-N 3.42Å; Q276-R280 VanDerWaalsContact O-CG 3.29Å; Q276-R280 WeakPolarHBondContact O-CG 3.23Å; Q276-R280 PolarHBondContact O-N 3.24Å; Q276-E423 PolarHBondContact NE2-OE1 3.44Å
277	R	94.1	Very high	92.3	Very high	101 Å²	101	74 Å²	74	38%	0.381	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-43.2	176.2	-70.5	-173.6	-69	177.2	-1.3	112.1	D256 M272 T273 L274 E275 R280 Q281	D256-R277 WeakPolarHBondContact OD2-CD 3.4Å; M272-R277 HydrophobicContact CB-CG 3.75Å; T273-R277 PolarHBondContact O-N 2.82Å; L274-R277 PolarHBondContact O-N 3.22Å; E275-R277 VanDerWaalsContact C-N 3.34Å; E275-R277 PolarHBondContact O-N 2.93Å; R277-R280 PolarHBondContact O-N 3.41Å; R277-Q281 PolarHBondContact O-N 3.27Å
278	R	93.9	Very high	92.8	Very high	155 Å²	155	72.1 Å²	72.1	59%	0.585	37%	0.373	S	S	*	.	H	α-helix	trans	-60.7	-45.6	176.1	-77.4	176.2	-178.8	176.2	0.2	111.9	L274 E275 R280 Q281	L274-R278 WeakPolarHBondContact O-CB 3.48Å; L274-R278 VanDerWaalsContact O-CG 3.31Å; L274-R278 WeakPolarHBondContact O-CG 3.48Å; L274-R278 PolarHBondContact O-N 3.38Å; E275-R278 PolarHBondContact O-N 2.73Å; R278-R280 PolarHBondContact O-N 2.87Å; R278-R280 VanDerWaalsContact O-N 3.13Å; R278-Q281 WeakPolarHBondContact O-CB 3.2Å; R278-Q281 PolarHBondContact O-N 3.48Å; R278-Q281 VanDerWaalsContact O-N 3.1Å
279	A	94.4	Very high	93.5	Very high	85 Å²	85	77.1 Å²	77.1	70%	0.702	39%	0.394	S	S	*	.	H	α-helix	trans	-59.9	-25.4	178.8	0	0	0	0	0	113.2	E275 Q276	E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.21Å; Q276-A279 PolarHBondContact O-N 3.42Å
280	R	94.6	Very high	94.1	Very high	35 Å²	35	73 Å²	73	13%	0.132	38%	0.379	C	S	.	.	H	α-helix	trans	-90.6	-8.9	180	-66.4	174.9	62.2	67.5	5.9	114.3	M272 Q276 R277 R278 G282 N283 P284 A286	M272-R280 VanDerWaalsContact SD-CD 3.58Å; Q276-R280 VanDerWaalsContact O-CG 3.29Å; Q276-R280 WeakPolarHBondContact O-CG 3.23Å; Q276-R280 PolarHBondContact O-N 3.24Å; R277-R280 PolarHBondContact O-N 3.41Å; R278-R280 PolarHBondContact O-N 2.87Å; R278-R280 VanDerWaalsContact O-N 3.13Å; R280-G282 PolarHBondContact O-N 3.34Å; R280-N283 CarbonylContact O-C 3.47Å; R280-N283 PolarHBondContact O-N 2.87Å; R280-P284 PolarHBondContact NH2-O 3.43Å; R280-P284 WeakPolarHBondContact O-CA 3.39Å; R280-P284 VanDerWaalsContact O-N 3.15Å; R280-A286 PolarHBondContact NH1-O 2.86Å; R280-A286 PolarHBondContact NH2-O 3.04Å
281	Q	91.4	Very high	94.7	Very high	151 Å²	151	72 Å²	72	71%	0.706	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.2	-176.8	-73.3	176.5	-18	0	0	112.9	R277 R278 N283	R277-Q281 PolarHBondContact O-N 3.27Å; R278-Q281 WeakPolarHBondContact O-CB 3.2Å; R278-Q281 PolarHBondContact O-N 3.48Å; R278-Q281 VanDerWaalsContact O-N 3.1Å; Q281-N283 VanDerWaalsContact C-N 3.32Å; Q281-N283 PolarHBondContact O-N 3.49Å
282	G	93.8	Very high	95.1	Very high	81 Å²	81	64 Å²	64	84%	0.835	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.8	177.3	0	0	0	0	0	114.3	R280	R280-G282 PolarHBondContact O-N 3.34Å
283	N	95.4	Very high	95.4	Very high	78 Å²	78	63.8 Å²	63.8	42%	0.417	34%	0.341	S	S	.	.			trans	-150	84.9	176.8	-174.5	-0.4	0	0	0	110.7	R280 Q281 I285 A286	R280-N283 CarbonylContact O-C 3.47Å; R280-N283 PolarHBondContact O-N 2.87Å; Q281-N283 VanDerWaalsContact C-N 3.32Å; Q281-N283 PolarHBondContact O-N 3.49Å; N283-I285 PolarHBondContact O-N 2.91Å; N283-I285 VanDerWaalsContact O-N 3.13Å; N283-I285 WeakPolarHBondContact OD1-CG1 3.38Å; N283-I285 PolarHBondContact OD1-N 3.5Å; N283-A286 HydrophobicContact CB-CB 4.21Å; N283-A286 WeakPolarHBondContact O-CB 3.28Å; N283-A286 PolarHBondContact O-N 3.46Å; N283-A286 VanDerWaalsContact O-N 3.14Å; N283-A286 PolarHBondContact OD1-N 3.49Å
284	P	95.1	Very high	95.5	Very high	37 Å²	37	62.8 Å²	62.8	24%	0.24	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.2	-174.9	27.1	-35.1	0	0	0	113.3	R280	R280-P284 PolarHBondContact NH2-O 3.43Å; R280-P284 WeakPolarHBondContact O-CA 3.39Å; R280-P284 VanDerWaalsContact O-N 3.15Å
285	I	96.5	Very high	95.5	Very high	27 Å²	27	58.4 Å²	58.4	14%	0.138	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	2.9	179.8	66.5	164.2	0	0	0	113.1	H110 H112 C113 K116 N283	H110-I285 HydrophobicContact CB-CG2 3.76Å; H112-I285 HydrophobicContact CB-CD1 3.88Å; H112-I285 HydrophobicContact CB-CG1 4.37Å; H112-I285 HydrophobicContact CB-CG2 4.01Å; C113-I285 WeakPolarHBondContact SG-CG2 3.16Å; K116-I285 HydrophobicContact CD-CD1 4.46Å; N283-I285 PolarHBondContact O-N 2.91Å; N283-I285 VanDerWaalsContact O-N 3.13Å; N283-I285 WeakPolarHBondContact OD1-CG1 3.38Å; N283-I285 PolarHBondContact OD1-N 3.5Å
286	A	97.4	Very high	95.5	Very high	24 Å²	24	51.3 Å²	51.3	20%	0.198	29%	0.285	C	S	.	.	S	Bend	trans	-60.1	144.9	175.6	0	0	0	0	0	111.1	R280 N283 P340	R280-A286 PolarHBondContact NH1-O 2.86Å; R280-A286 PolarHBondContact NH2-O 3.04Å; N283-A286 HydrophobicContact CB-CB 4.21Å; N283-A286 WeakPolarHBondContact O-CB 3.28Å; N283-A286 PolarHBondContact O-N 3.46Å; N283-A286 VanDerWaalsContact O-N 3.14Å; N283-A286 PolarHBondContact OD1-N 3.49Å; A286-P340 WeakPolarHBondContact O-CD 2.86Å; A286-P340 WeakPolarHBondContact O-CG 3.36Å
287	P	98.3	Very high	95.7	Very high	48 Å²	48	49 Å²	49	31%	0.312	28%	0.275	S	S	.	.			trans	-51.7	141.4	171.6	-27	35.3	0	0	0	112.3	E337 I339	P287-E337 HydrophobicContact CB-CB 4.42Å; P287-I339 HydrophobicContact CB-CD1 3.73Å; P287-I339 HydrophobicContact CG-CD1 4.01Å
288	I	98.5	Very high	96	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.6	178.6	-61.1	156.9	0	0	0	107.6	K258 M272 T290 E337 I338 P340	K258-I288 HydrophobicContact CB-CG2 4.4Å; M272-I288 HydrophobicContact CE-CB 4.27Å; M272-I288 HydrophobicContact CE-CD1 3.43Å; M272-I288 VanDerWaalsContact CE-CD1 3.43Å; M272-I288 HydrophobicContact CE-CG1 3.67Å; M272-I288 HydrophobicContact CE-CG2 3.57Å; I288-T290 PolarHBondContact O-N 3.5Å; I288-E337 CarbonylContact O-C 3.48Å; I288-E337 VanDerWaalsContact O-CA 3.23Å; I288-E337 WeakPolarHBondContact O-CA 3.22Å; I288-I338 HydrophobicContact CB-CB 4.19Å; I288-I338 HydrophobicContact CD1-CB 4.47Å; I288-I338 HydrophobicContact CD1-CG2 4.4Å; I288-I338 PolarHBondContact N-O 2.88Å; I288-I338 PolarHBondContact O-N 2.84Å; I288-P340 HydrophobicContact CD1-CG 3.98Å; I288-P340 HydrophobicContact CG1-CG 4.39Å
289	K	98.4	Very high	96.2	Very high	143 Å²	143	37 Å²	37	62%	0.622	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66	128.2	168.7	-72.7	-178.5	172.9	-175	0	109.4	W330 L336	K289-W330 HydrophobicContact CB-CH2 4.27Å; K289-W330 HydrophobicContact CB-CZ2 4.38Å; K289-W330 HydrophobicContact CD-CH2 4.06Å; K289-W330 HydrophobicContact CG-CH2 4.2Å; K289-L336 WeakPolarHBondContact CA-O 3.48Å
290	T	98.6	Very high	96.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	20%	0.196	C	C	.	.			trans	-119.9	133.6	-177.3	-171.4	0	0	0	0	111.1	G259 I288 M292 I293 W330 L336 I338	G259-T290 PolarHBondContact N-OG1 3.28Å; G259-T290 PolarHBondContact O-OG1 2.94Å; I288-T290 PolarHBondContact O-N 3.5Å; T290-M292 WeakPolarHBondContact CG2-O 3.32Å; T290-M292 PolarHBondContact O-N 2.89Å; T290-M292 PolarHBondContact OG1-O 2.81Å; T290-I293 HydrophobicContact CG2-CG2 4.02Å; T290-W330 PolarHBondContact O-NE1 3.01Å; T290-L336 HydrophobicContact CG2-CB 3.7Å; T290-L336 PolarHBondContact N-O 3.26Å; T290-L336 WeakPolarHBondContact O-CB 3.41Å; T290-I338 HydrophobicContact CG2-CD1 4.26Å; T290-I338 HydrophobicContact CG2-CG1 3.98Å
291	P	98.4	Very high	96.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.013	19%	0.192	C	C	.	.	S	Bend	trans	-56.5	-38	174.2	-27.7	33.5	0	0	0	113.5	G259 Y416 V420 Y421	G259-P291 VanDerWaalsContact O-CD 3.29Å; G259-P291 WeakPolarHBondContact O-CD 3.49Å; P291-Y416 PolarHBondContact O-OH 2.91Å; P291-V420 HydrophobicContact CB-CG1 4.45Å; P291-Y421 HydrophobicContact CB-CD1 3.92Å; P291-Y421 HydrophobicContact CB-CD2 3.96Å; P291-Y421 HydrophobicContact CB-CE1 4.44Å; P291-Y421 HydrophobicContact CB-CE2 4.47Å; P291-Y421 HydrophobicContact CB-CG 3.64Å; P291-Y421 HydrophobicContact CG-CD1 4.35Å; P291-Y421 HydrophobicContact CG-CD2 3.47Å; P291-Y421 VanDerWaalsContact CG-CD2 3.47Å; P291-Y421 HydrophobicContact CG-CE2 3.97Å; P291-Y421 HydrophobicContact CG-CG 3.68Å
292	M	98.1	Very high	97	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.166	C	C	.	.			trans	-145.2	148.4	-177.3	179.1	165.8	53.4	0	0	110.8	G259 G260 F261 F267 T290 L323 S326	G259-M292 VanDerWaalsContact CA-O 3.31Å; G259-M292 WeakPolarHBondContact CA-O 3.19Å; G259-M292 PolarHBondContact O-N 3.46Å; G260-M292 VanDerWaalsContact C-CE 3.41Å; G260-M292 WeakPolarHBondContact O-CE 3.05Å; F261-M292 HydrophobicContact CB-CE 3.55Å; F261-M292 HydrophobicContact CD1-CE 3.74Å; F261-M292 HydrophobicContact CD1-SD 4.44Å; F261-M292 HydrophobicContact CG-CE 4.04Å; F267-M292 HydrophobicContact CB-CE 4.02Å; F267-M292 HydrophobicContact CD2-CE 3.55Å; F267-M292 HydrophobicContact CD2-CG 4.06Å; F267-M292 HydrophobicContact CD2-SD 4.17Å; F267-M292 HydrophobicContact CE2-CE 4.42Å; F267-M292 HydrophobicContact CE2-CG 4.48Å; F267-M292 HydrophobicContact CG-CE 4.19Å; T290-M292 WeakPolarHBondContact CG2-O 3.32Å; T290-M292 PolarHBondContact O-N 2.89Å; T290-M292 PolarHBondContact OG1-O 2.81Å; M292-L323 HydrophobicContact CE-CD2 4.2Å; M292-L323 HydrophobicContact SD-CD2 3.43Å; M292-L323 WeakPolarHBondContact SD-CD2 3.25Å; M292-L323 HydrophobicContact SD-CG 3.97Å; M292-S326 WeakPolarHBondContact CG-OG 3.39Å
293	I	98	Very high	97.2	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.015	15%	0.15	C	C	.	.			trans	-95.5	153.8	168.8	56	168.6	0	0	0	110.6	T290 G295 F298 I325 S326 L336	T290-I293 HydrophobicContact CG2-CG2 4.02Å; I293-G295 PolarHBondContact O-N 2.88Å; I293-F298 HydrophobicContact CD1-CB 4.16Å; I293-F298 HydrophobicContact CD1-CD1 3.95Å; I293-F298 HydrophobicContact CD1-CG 4Å; I293-I325 HydrophobicContact CD1-CG2 4.28Å; I293-S326 PolarHBondContact N-OG 3.3Å; I293-L336 HydrophobicContact CG2-CB 4.22Å; I293-L336 HydrophobicContact CG2-CD1 4.34Å; I293-L336 HydrophobicContact CG2-CD2 4.01Å; I293-L336 HydrophobicContact CG2-CG 4.42Å
294	A	93.3	Very high	97.4	Very high	33 Å²	33	24.2 Å²	24.2	27%	0.273	13%	0.132	S	C	.	.			trans	-59.4	-31.4	173.4	0	0	0	0	0	111.9	I240 F267 W269 N322	I240-A294 HydrophobicContact CD1-CB 3.81Å; F267-A294 HydrophobicContact CE1-CB 4.18Å; F267-A294 VanDerWaalsContact CE2-CA 3.48Å; F267-A294 HydrophobicContact CE2-CB 4.07Å; F267-A294 HydrophobicContact CZ-CB 3.85Å; W269-A294 HydrophobicContact CZ2-CB 4.44Å; A294-N322 WeakPolarHBondContact O-CB 3.13Å; A294-N322 PolarHBondContact O-ND2 3.48Å
295	G	91.3	Very high	97.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	12%	0.12	C	C	.	.	S	Bend	trans	101.4	-26.2	173.8	0	0	0	0	0	114.5	R195 I293	R195-G295 PolarHBondContact NH1-O 3.05Å; R195-G295 PolarHBondContact NH2-O 2.94Å; R195-G295 VanDerWaalsContact NH2-O 3.12Å; I293-G295 PolarHBondContact O-N 2.88Å
296	G	92.2	Very high	97.6	Very high	10 Å²	10	25.1 Å²	25.1	10%	0.103	13%	0.132	C	C	.	.	S	Bend	trans	-67.8	-36.4	180	0	0	0	0	0	114.7	R195 L210 D211	R195-G296 PolarHBondContact NH2-O 3Å; L210-G296 CarbonylContact C-O 3.54Å; D211-G296 PolarHBondContact N-O 2.91Å; D211-G296 WeakPolarHBondContact OD1-CA 3.41Å
297	L	98.5	Very high	97.6	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-135.1	109	-166.8	-60.3	89.8	0	0	0	110.7	F209 L210 S237 P238 I240 V344	F209-L297 WeakPolarHBondContact O-CA 3.36Å; L210-L297 HydrophobicContact CD2-CB 4.24Å; L210-L297 HydrophobicContact CD2-CD2 3.74Å; L210-L297 HydrophobicContact CD2-CG 3.97Å; S237-L297 WeakPolarHBondContact CB-O 3.46Å; P238-L297 HydrophobicContact CG-CB 4.07Å; P238-L297 HydrophobicContact CG-CD2 4.25Å; I240-L297 HydrophobicContact CD1-CD1 3.93Å; I240-L297 HydrophobicContact CG1-CD1 4.3Å; I240-L297 HydrophobicContact CG2-CD1 4.44Å; L297-V344 HydrophobicContact CD2-CB 3.73Å; L297-V344 HydrophobicContact CD2-CG1 3.41Å; L297-V344 VanDerWaalsContact CD2-CG1 3.41Å; L297-V344 HydrophobicContact CD2-CG2 4.49Å
298	F	98.9	Very high	97.6	Very high	2 Å²	2	28 Å²	28	1%	0.009	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	162.2	175.4	67.5	-83	0	0	0	112.7	F209 V235 V236 I293 M300 Y311 I325	F209-F298 HydrophobicContact CB-CD1 4.21Å; F209-F298 HydrophobicContact CB-CE1 3.96Å; F209-F298 HydrophobicContact CB-CZ 4.33Å; F209-F298 HydrophobicContact CD2-CD1 4.39Å; F209-F298 HydrophobicContact CD2-CD2 4.07Å; F209-F298 AromaticContact CD2-CE1 3.77Å; F209-F298 HydrophobicContact CD2-CE1 3.77Å; F209-F298 AromaticContact CD2-CE2 3.42Å; F209-F298 HydrophobicContact CD2-CE2 3.42Å; F209-F298 VanDerWaalsContact CD2-CE2 3.42Å; F209-F298 AromaticContact CD2-CZ 3.24Å; F209-F298 HydrophobicContact CD2-CZ 3.24Å; F209-F298 AromaticContact CE2-CE2 3.77Å; F209-F298 HydrophobicContact CE2-CE2 3.77Å; F209-F298 AromaticContact CE2-CZ 3.7Å; F209-F298 HydrophobicContact CE2-CZ 3.7Å; F209-F298 HydrophobicContact CG-CE1 4.07Å; F209-F298 HydrophobicContact CG-CE2 4.47Å; F209-F298 AromaticContact CG-CZ 3.96Å; F209-F298 HydrophobicContact CG-CZ 3.96Å; F209-F298 PolarHBondContact N-O 2.95Å; F209-F298 PolarHBondContact O-N 2.77Å; V235-F298 HydrophobicContact CG1-CB 4.38Å; V235-F298 HydrophobicContact CG1-CD2 3.73Å; V235-F298 HydrophobicContact CG1-CE2 4.42Å; V235-F298 HydrophobicContact CG1-CG 4.36Å; V236-F298 CarbonylContact O-C 3.49Å; V236-F298 VanDerWaalsContact O-CA 3.23Å; V236-F298 WeakPolarHBondContact O-CA 3.34Å; V236-F298 WeakPolarHBondContact O-CB 3.47Å; I293-F298 HydrophobicContact CD1-CB 4.16Å; I293-F298 HydrophobicContact CD1-CD1 3.95Å; I293-F298 HydrophobicContact CD1-CG 4Å; F298-M300 HydrophobicContact CD2-CB 4.21Å; F298-M300 HydrophobicContact CE2-CB 4.19Å; F298-M300 HydrophobicContact CE2-SD 4.39Å; F298-Y311 WeakPolarHBondContact CE1-OH 3.44Å; F298-Y311 HydrophobicContact CZ-CE2 4.44Å; F298-Y311 WeakPolarHBondContact CZ-OH 3.19Å; F298-I325 HydrophobicContact CE2-CD1 4.38Å; F298-I325 HydrophobicContact CZ-CD1 4.26Å
299	V	98.9	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.4	177.9	-177.4	0	0	0	0	108.9	V206 L207 T208 L224 L225 V228 V236	V206-V299 HydrophobicContact CG1-CG1 3.36Å; L207-V299 CarbonylContact O-C 3.58Å; L207-V299 VanDerWaalsContact O-CA 3.28Å; L207-V299 WeakPolarHBondContact O-CA 3.25Å; T208-V299 HydrophobicContact CG2-CG2 3.87Å; L224-V299 HydrophobicContact CB-CB 4.19Å; L224-V299 HydrophobicContact CB-CG2 3.8Å; L224-V299 HydrophobicContact CD1-CG2 3.62Å; L224-V299 HydrophobicContact CG-CG2 4.29Å; L225-V299 HydrophobicContact CD2-CG1 4.07Å; V228-V299 HydrophobicContact CG2-CG1 4.1Å; V236-V299 HydrophobicContact CG2-CB 3.92Å; V236-V299 PolarHBondContact N-O 3.24Å; V236-V299 PolarHBondContact O-N 3.34Å
300	M	98.9	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.1	-175.7	-176	167.7	-167.3	0	0	110.5	L207 V235 F298 K302 Y304 F305 L308 I325 V329	L207-M300 PolarHBondContact N-O 2.83Å; L207-M300 PolarHBondContact O-N 2.6Å; V235-M300 HydrophobicContact CG1-CB 4.47Å; V235-M300 HydrophobicContact CG2-CB 4.28Å; V235-M300 HydrophobicContact CG2-CE 3.69Å; V235-M300 HydrophobicContact CG2-CG 3.76Å; V235-M300 HydrophobicContact CG2-SD 3.65Å; F298-M300 HydrophobicContact CD2-CB 4.21Å; F298-M300 HydrophobicContact CE2-CB 4.19Å; F298-M300 HydrophobicContact CE2-SD 4.39Å; M300-K302 PolarHBondContact O-N 3.25Å; M300-Y304 HydrophobicContact CE-CD1 3.29Å; M300-Y304 HydrophobicContact CE-CE1 3.72Å; M300-Y304 HydrophobicContact CE-CG 4.01Å; M300-Y304 HydrophobicContact CG-CD1 4.4Å; M300-F305 HydrophobicContact CE-CB 4.21Å; M300-F305 HydrophobicContact CG-CB 4.15Å; M300-F305 HydrophobicContact SD-CB 3.87Å; M300-F305 HydrophobicContact SD-CD2 3.78Å; M300-F305 HydrophobicContact SD-CG 4.33Å; M300-L308 HydrophobicContact CE-CD1 3.77Å; M300-I325 HydrophobicContact SD-CD1 4.45Å; M300-V329 HydrophobicContact CE-CG2 4.41Å
301	D	98.9	Very high	97.5	Very high	9 Å²	9	24 Å²	24	5%	0.048	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.2	169.9	175.9	-82.1	0	0	0	110.2	V228 K232 E303 Y304 F305	V228-D301 HydrophobicContact CG1-CB 3.82Å; K232-D301 HydrophobicContact CB-CB 3.95Å; K232-D301 VanDerWaalsContact CD-OD2 3.29Å; K232-D301 WeakPolarHBondContact CD-OD2 3.47Å; K232-D301 WeakPolarHBondContact CE-OD2 3.34Å; K232-D301 HydrophobicContact CG-CB 4.24Å; K232-D301 WeakPolarHBondContact CG-OD2 3.23Å; K232-D301 IonicContact NZ-OD2 2.74Å; D301-E303 WeakPolarHBondContact OD1-CA 3.19Å; D301-E303 WeakPolarHBondContact OD1-CB 3.4Å; D301-E303 PolarHBondContact OD1-N 2.94Å; D301-Y304 PolarHBondContact O-N 2.9Å; D301-Y304 PolarHBondContact OD1-N 3.48Å; D301-F305 PolarHBondContact O-N 3.14Å
302	K	98.8	Very high	97.5	Very high	39 Å²	39	24.2 Å²	24.2	17%	0.17	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-45.4	-173.6	-176.9	-177.2	173.1	-170.3	0	111.7	A199 A202 A204 P205 L207 M300 Y304 F305 E306	A199-K302 WeakPolarHBondContact O-CE 3.42Å; A202-K302 PolarHBondContact O-NZ 2.82Å; A204-K302 WeakPolarHBondContact O-CD 3.39Å; P205-K302 VanDerWaalsContact O-CB 3.22Å; P205-K302 WeakPolarHBondContact O-CB 3.45Å; P205-K302 PolarHBondContact O-N 3.24Å; L207-K302 HydrophobicContact CD1-CB 4.28Å; L207-K302 HydrophobicContact CD1-CG 4.13Å; L207-K302 HydrophobicContact CD2-CB 4.37Å; L207-K302 HydrophobicContact CD2-CD 4.42Å; L207-K302 HydrophobicContact CD2-CG 4.17Å; L207-K302 HydrophobicContact CG-CB 3.93Å; L207-K302 HydrophobicContact CG-CG 4.08Å; M300-K302 PolarHBondContact O-N 3.25Å; K302-Y304 VanDerWaalsContact C-N 3.27Å; K302-Y304 PolarHBondContact O-N 2.99Å; K302-F305 WeakPolarHBondContact O-CB 3.48Å; K302-F305 PolarHBondContact O-N 3.42Å; K302-E306 WeakPolarHBondContact CE-OE1 3.33Å; K302-E306 IonicContact NZ-OE1 2.82Å; K302-E306 WeakPolarHBondContact O-CG 3.48Å; K302-E306 PolarHBondContact O-N 2.74Å
303	E	98.7	Very high	97.5	Very high	108 Å²	108	28.3 Å²	28.3	51%	0.505	14%	0.139	S	C	.	.	H	α-helix	trans	-63.9	-38.3	179.3	-171.4	-168.5	164	0	0	110.1	K232 D301 E306 R307	K232-E303 IonicContact NZ-OE2 2.97Å; D301-E303 WeakPolarHBondContact OD1-CA 3.19Å; D301-E303 WeakPolarHBondContact OD1-CB 3.4Å; D301-E303 PolarHBondContact OD1-N 2.94Å; E303-E306 PolarHBondContact O-N 2.89Å; E303-R307 WeakPolarHBondContact O-CB 3.21Å; E303-R307 PolarHBondContact O-N 3.01Å
304	Y	98.8	Very high	97.5	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-41.2	174.6	-170	-130.5	0	0	0	112.7	K232 T233 V235 M300 D301 K302 E306 R307 L308 G334	K232-Y304 WeakPolarHBondContact O-CD1 3.34Å; T233-Y304 HydrophobicContact CG2-CE2 4.18Å; T233-Y304 WeakPolarHBondContact O-CE1 3.46Å; V235-Y304 HydrophobicContact CG2-CD1 4.49Å; V235-Y304 HydrophobicContact CG2-CE1 4.31Å; M300-Y304 HydrophobicContact CE-CD1 3.29Å; M300-Y304 HydrophobicContact CE-CE1 3.72Å; M300-Y304 HydrophobicContact CE-CG 4.01Å; M300-Y304 HydrophobicContact CG-CD1 4.4Å; D301-Y304 PolarHBondContact O-N 2.9Å; D301-Y304 PolarHBondContact OD1-N 3.48Å; K302-Y304 VanDerWaalsContact C-N 3.27Å; K302-Y304 PolarHBondContact O-N 2.99Å; Y304-E306 VanDerWaalsContact C-N 3.34Å; Y304-E306 PolarHBondContact O-N 3.35Å; Y304-R307 PolarHBondContact O-N 3.13Å; Y304-L308 HydrophobicContact CD1-CD1 4.15Å; Y304-L308 HydrophobicContact CD2-CD1 4.3Å; Y304-L308 HydrophobicContact CD2-CG 4.09Å; Y304-L308 HydrophobicContact CE1-CD1 3.52Å; Y304-L308 HydrophobicContact CE1-CG 4.34Å; Y304-L308 HydrophobicContact CE2-CD1 3.74Å; Y304-L308 HydrophobicContact CE2-CD2 4.19Å; Y304-L308 HydrophobicContact CE2-CG 3.67Å; Y304-L308 WeakPolarHBondContact O-CB 3.3Å; Y304-L308 PolarHBondContact O-N 3.31Å; Y304-L308 WeakPolarHBondContact OH-CD1 3.36Å; Y304-G334 WeakPolarHBondContact OH-CA 3.37Å; Y304-G334 PolarHBondContact OH-N 2.97Å
305	F	98.8	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-45	173.9	178.5	-104.1	0	0	0	111.5	V196 A199 L207 F209 M300 D301 K302 G309 K310 Y311 I325	V196-F305 HydrophobicContact CG2-CZ 4.22Å; A199-F305 HydrophobicContact CB-CD1 4.08Å; A199-F305 HydrophobicContact CB-CE1 3.6Å; A199-F305 HydrophobicContact CB-CZ 4.43Å; L207-F305 HydrophobicContact CD1-CB 3.93Å; L207-F305 HydrophobicContact CD1-CD1 3.68Å; L207-F305 HydrophobicContact CD1-CE1 4.35Å; L207-F305 HydrophobicContact CD1-CG 3.85Å; F209-F305 HydrophobicContact CZ-CE2 4.49Å; F209-F305 HydrophobicContact CZ-CZ 4.34Å; M300-F305 HydrophobicContact CE-CB 4.21Å; M300-F305 HydrophobicContact CG-CB 4.15Å; M300-F305 HydrophobicContact SD-CB 3.87Å; M300-F305 HydrophobicContact SD-CD2 3.78Å; M300-F305 HydrophobicContact SD-CG 4.33Å; D301-F305 PolarHBondContact O-N 3.14Å; K302-F305 WeakPolarHBondContact O-CB 3.48Å; K302-F305 PolarHBondContact O-N 3.42Å; F305-G309 PolarHBondContact O-N 3.32Å; F305-K310 HydrophobicContact CD1-CB 4.22Å; F305-K310 HydrophobicContact CD1-CG 3.95Å; F305-K310 HydrophobicContact CE1-CB 3.58Å; F305-K310 HydrophobicContact CE1-CD 4.26Å; F305-K310 HydrophobicContact CE1-CG 3.66Å; F305-K310 HydrophobicContact CE2-CB 4.49Å; F305-K310 HydrophobicContact CZ-CB 3.75Å; F305-K310 HydrophobicContact CZ-CG 4.34Å; F305-K310 WeakPolarHBondContact O-CA 3.36Å; F305-K310 PolarHBondContact O-N 2.95Å; F305-Y311 HydrophobicContact CE2-CD2 4.07Å; F305-Y311 HydrophobicContact CE2-CE2 4.16Å; F305-Y311 AromaticContact CZ-CD2 3.98Å; F305-Y311 HydrophobicContact CZ-CD2 3.98Å; F305-Y311 HydrophobicContact CZ-CE2 4.4Å; F305-I325 HydrophobicContact CE2-CD1 4.4Å
306	E	98.5	Very high	97.6	Very high	82 Å²	82	31.9 Å²	31.9	38%	0.383	15%	0.152	S	C	.	.	H	α-helix	trans	-65.6	-47.4	176.9	-70.3	174.4	169.6	0	0	112.2	K302 E303 Y304 L308 G309	K302-E306 WeakPolarHBondContact CE-OE1 3.33Å; K302-E306 IonicContact NZ-OE1 2.82Å; K302-E306 WeakPolarHBondContact O-CG 3.48Å; K302-E306 PolarHBondContact O-N 2.74Å; E303-E306 PolarHBondContact O-N 2.89Å; Y304-E306 VanDerWaalsContact C-N 3.34Å; Y304-E306 PolarHBondContact O-N 3.35Å; E306-L308 PolarHBondContact O-N 2.81Å; E306-G309 WeakPolarHBondContact O-CA 3.31Å; E306-G309 PolarHBondContact O-N 3.06Å
307	R	97.6	Very high	97.5	Very high	130 Å²	130	32.2 Å²	32.2	49%	0.491	15%	0.152	S	C	.	.	H	α-helix	trans	-62.5	-39.9	-179.9	-177.2	174.6	69.6	-158.5	4.9	112.6	E303 Y304 G309	E303-R307 WeakPolarHBondContact O-CB 3.21Å; E303-R307 PolarHBondContact O-N 3.01Å; Y304-R307 PolarHBondContact O-N 3.13Å; R307-G309 PolarHBondContact O-N 3.35Å
308	L	97.8	Very high	97.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.6	173	-78.3	-174.9	0	0	0	112.7	M300 Y304 E306 R328 V329 C332 L408	M300-L308 HydrophobicContact CE-CD1 3.77Å; Y304-L308 HydrophobicContact CD1-CD1 4.15Å; Y304-L308 HydrophobicContact CD2-CD1 4.3Å; Y304-L308 HydrophobicContact CD2-CG 4.09Å; Y304-L308 HydrophobicContact CE1-CD1 3.52Å; Y304-L308 HydrophobicContact CE1-CG 4.34Å; Y304-L308 HydrophobicContact CE2-CD1 3.74Å; Y304-L308 HydrophobicContact CE2-CD2 4.19Å; Y304-L308 HydrophobicContact CE2-CG 3.67Å; Y304-L308 WeakPolarHBondContact O-CB 3.3Å; Y304-L308 PolarHBondContact O-N 3.31Å; Y304-L308 WeakPolarHBondContact OH-CD1 3.36Å; E306-L308 PolarHBondContact O-N 2.81Å; L308-R328 HydrophobicContact CD2-CG 4.39Å; L308-R328 VanDerWaalsContact O-CD 3.27Å; L308-R328 WeakPolarHBondContact O-CD 3.18Å; L308-R328 PolarHBondContact O-NH1 3.32Å; L308-V329 HydrophobicContact CD1-CG2 3.79Å; L308-C332 HydrophobicContact CD2-CB 3.84Å; L308-L408 HydrophobicContact CD2-CD1 3.87Å
309	G	97.4	Very high	96.6	Very high	15 Å²	15	36.1 Å²	36.1	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	39.8	175	0	0	0	0	0	113.9	F305 E306 R307 Y311 R401	F305-G309 PolarHBondContact O-N 3.32Å; E306-G309 WeakPolarHBondContact O-CA 3.31Å; E306-G309 PolarHBondContact O-N 3.06Å; R307-G309 PolarHBondContact O-N 3.35Å; G309-Y311 PolarHBondContact O-N 2.96Å; G309-R401 PolarHBondContact O-NH1 2.95Å
310	K	98.2	Very high	96.2	Very high	54 Å²	54	36.1 Å²	36.1	24%	0.235	17%	0.167	C	C	.	.			trans	50.9	-129.8	168	-54.9	-174.7	-176	172.6	0	112.4	V196 D200 F305 R328	V196-K310 HydrophobicContact CG1-CD 3.8Å; V196-K310 HydrophobicContact CG2-CB 3.96Å; D200-K310 WeakPolarHBondContact OD1-CE 3.39Å; D200-K310 IonicContact OD1-NZ 3.71Å; D200-K310 PolarHBondContact OD1-NZ 3.36Å; D200-K310 IonicContact OD2-NZ 3.7Å; D200-K310 PolarHBondContact OD2-NZ 3.15Å; F305-K310 HydrophobicContact CD1-CB 4.22Å; F305-K310 HydrophobicContact CD1-CG 3.95Å; F305-K310 HydrophobicContact CE1-CB 3.58Å; F305-K310 HydrophobicContact CE1-CD 4.26Å; F305-K310 HydrophobicContact CE1-CG 3.66Å; F305-K310 HydrophobicContact CE2-CB 4.49Å; F305-K310 HydrophobicContact CZ-CB 3.75Å; F305-K310 HydrophobicContact CZ-CG 4.34Å; F305-K310 WeakPolarHBondContact O-CA 3.36Å; F305-K310 PolarHBondContact O-N 2.95Å; K310-R328 PolarHBondContact O-NH1 3.07Å; K310-R328 PolarHBondContact O-NH2 3.34Å
311	Y	98.5	Very high	96.1	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.012	17%	0.168	C	C	.	.	S	Bend	trans	-106.4	161.4	164.3	-82.2	-67.6	0	0	0	111	M192 R195 V196 F298 F305 G309 M313 E321 I325	M192-Y311 HydrophobicContact CB-CG 4.37Å; R195-Y311 HydrophobicContact CB-CD2 4.34Å; R195-Y311 HydrophobicContact CB-CE2 4.27Å; R195-Y311 PolarHBondContact NH1-OH 3.47Å; V196-Y311 HydrophobicContact CG2-CD2 4.31Å; F298-Y311 WeakPolarHBondContact CE1-OH 3.44Å; F298-Y311 HydrophobicContact CZ-CE2 4.44Å; F298-Y311 WeakPolarHBondContact CZ-OH 3.19Å; F305-Y311 HydrophobicContact CE2-CD2 4.07Å; F305-Y311 HydrophobicContact CE2-CE2 4.16Å; F305-Y311 AromaticContact CZ-CD2 3.98Å; F305-Y311 HydrophobicContact CZ-CD2 3.98Å; F305-Y311 HydrophobicContact CZ-CE2 4.4Å; G309-Y311 PolarHBondContact O-N 2.96Å; Y311-M313 PolarHBondContact O-N 3.38Å; Y311-M313 VanDerWaalsContact O-N 3.13Å; Y311-E321 HydrophobicContact CD1-CB 3.94Å; Y311-E321 HydrophobicContact CD1-CG 4.41Å; Y311-E321 HydrophobicContact CE1-CB 3.73Å; Y311-E321 HydrophobicContact CE1-CG 3.8Å; Y311-I325 HydrophobicContact CE1-CB 3.91Å; Y311-I325 HydrophobicContact CE1-CD1 3.94Å; Y311-I325 HydrophobicContact CE1-CG1 4.5Å; Y311-I325 HydrophobicContact CE1-CG2 4.1Å
312	D	98.3	Very high	95.9	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.027	17%	0.17	C	C	.	.			trans	-68.5	104.8	168.1	-177.8	1.1	0	0	0	110.7	M314 M315 R370	D312-M314 PolarHBondContact O-N 3.35Å; D312-M314 VanDerWaalsContact O-N 3.08Å; D312-M314 PolarHBondContact OD1-N 3.29Å; D312-M314 VanDerWaalsContact OD1-N 3.17Å; D312-M315 HydrophobicContact CB-CE 4.41Å; D312-M315 HydrophobicContact CB-CG 4.07Å; D312-M315 HydrophobicContact CB-SD 4.36Å; D312-M315 WeakPolarHBondContact O-CB 3.45Å; D312-M315 PolarHBondContact O-N 3.13Å; D312-R370 VanDerWaalsContact CG-NH2 3.26Å; D312-R370 IonicContact OD1-CZ 3.93Å; D312-R370 IonicContact OD1-NE 3.27Å; D312-R370 IonicContact OD1-NH2 2.71Å; D312-R370 PolarHBondContact OD1-NH2 3.26Å; D312-R370 IonicContact OD2-CZ 3.64Å; D312-R370 IonicContact OD2-NE 3.06Å; D312-R370 PolarHBondContact OD2-NE 2.93Å; D312-R370 IonicContact OD2-NH2 3.52Å; D312-R370 PolarHBondContact OD2-NH2 2.8Å
313	M	98.1	Very high	95.9	Very high	87 Å²	87	34.9 Å²	34.9	43%	0.429	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.5	-174.9	-64	-59.7	-76.5	0	0	114.3	R193 V196 Y311	R193-M313 HydrophobicContact CB-CE 4Å; R193-M313 VanDerWaalsContact CD-O 3.3Å; R193-M313 WeakPolarHBondContact CD-O 3.4Å; R193-M313 HydrophobicContact CG-CE 3.71Å; R193-M313 WeakPolarHBondContact CG-O 3.27Å; R193-M313 HydrophobicContact CG-SD 4.12Å; R193-M313 PolarHBondContact NH1-O 2.88Å; V196-M313 HydrophobicContact CB-CE 4.15Å; V196-M313 HydrophobicContact CB-SD 3.67Å; V196-M313 HydrophobicContact CG1-CE 3.96Å; V196-M313 HydrophobicContact CG1-SD 3.68Å; V196-M313 HydrophobicContact CG2-SD 3.64Å; Y311-M313 PolarHBondContact O-N 3.38Å; Y311-M313 VanDerWaalsContact O-N 3.13Å
314	M	97.6	Very high	95.9	Very high	75 Å²	75	29.8 Å²	29.8	37%	0.369	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	2	176.4	-63.8	-175.6	74	0	0	113.3	D312 N397	D312-M314 PolarHBondContact O-N 3.35Å; D312-M314 VanDerWaalsContact O-N 3.08Å; D312-M314 PolarHBondContact OD1-N 3.29Å; D312-M314 VanDerWaalsContact OD1-N 3.17Å; M314-N397 VanDerWaalsContact SD-O 3.4Å
315	M	96.4	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.			trans	-74.4	142	165.4	-71.3	-172.9	171.4	0	0	110.7	M192 R193 D312 E321 E324 N367 R370 A371	M192-M315 HydrophobicContact CE-CB 3.97Å; M192-M315 HydrophobicContact CE-SD 4.32Å; M192-M315 HydrophobicContact CG-CB 3.94Å; M192-M315 HydrophobicContact CG-SD 4.46Å; M192-M315 HydrophobicContact SD-CB 3.95Å; R193-M315 PolarHBondContact NH1-O 2.85Å; D312-M315 HydrophobicContact CB-CE 4.41Å; D312-M315 HydrophobicContact CB-CG 4.07Å; D312-M315 HydrophobicContact CB-SD 4.36Å; D312-M315 WeakPolarHBondContact O-CB 3.45Å; D312-M315 PolarHBondContact O-N 3.13Å; M315-E321 HydrophobicContact SD-CB 3.95Å; M315-E324 HydrophobicContact CE-CB 3.7Å; M315-E324 HydrophobicContact CE-CG 3.85Å; M315-N367 WeakPolarHBondContact CA-OD1 3.35Å; M315-N367 HydrophobicContact CB-CB 4.48Å; M315-N367 WeakPolarHBondContact CE-O 3.13Å; M315-N367 HydrophobicContact CG-CB 4.15Å; M315-N367 HydrophobicContact SD-CB 4.35Å; M315-R370 HydrophobicContact CE-CB 4.27Å; M315-A371 HydrophobicContact CE-CB 4.28Å
316	D	90.1	Very high	95.9	Very high	37 Å²	37	29.5 Å²	29.5	20%	0.198	14%	0.137	C	C	.	.			trans	-115.3	139.6	-171.1	-64.4	-47.9	0	0	0	112.4	R193 W318 V363 R366 N367	R193-D316 IonicContact CZ-OD1 2.9Å; R193-D316 IonicContact NH1-OD1 3.66Å; R193-D316 PolarHBondContact NH1-OD1 2.87Å; R193-D316 IonicContact NH2-OD1 2.75Å; R193-D316 PolarHBondContact NH2-OD1 3.44Å; D316-W318 PolarHBondContact O-N 3.29Å; D316-V363 HydrophobicContact CB-CG1 4.22Å; D316-V363 VanDerWaalsContact O-CG1 3.23Å; D316-V363 WeakPolarHBondContact O-CG1 3.4Å; D316-R366 IonicContact OD2-CZ 3.16Å; D316-R366 IonicContact OD2-NE 2.89Å; D316-R366 PolarHBondContact OD2-NE 3.08Å; D316-R366 IonicContact OD2-NH2 2.72Å; D316-R366 PolarHBondContact OD2-NH2 2.73Å; D316-N367 PolarHBondContact N-ND2 2.9Å; D316-N367 PolarHBondContact N-OD1 3.08Å; D316-N367 PolarHBondContact O-ND2 3.17Å
317	V	89.2	Confident	95.9	Very high	16 Å²	16	25.6 Å²	25.6	10%	0.097	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	58.4	-80	171.7	-172.9	0	0	0	0	115	R188 L191 Y354 F356 V363	R188-V317 VanDerWaalsContact NH2-CG1 3.29Å; L191-V317 WeakPolarHBondContact CB-O 3.31Å; L191-V317 PolarHBondContact N-O 3.35Å; V317-Y354 HydrophobicContact CG1-CD2 4.21Å; V317-Y354 HydrophobicContact CG1-CE2 4.11Å; V317-F356 HydrophobicContact CB-CD1 4.13Å; V317-F356 HydrophobicContact CB-CE1 4.24Å; V317-F356 HydrophobicContact CG1-CD1 3.8Å; V317-F356 HydrophobicContact CG1-CE1 3.7Å; V317-F356 HydrophobicContact CG1-CG 4.47Å; V317-F356 HydrophobicContact CG1-CZ 4.29Å; V317-V363 HydrophobicContact CB-CG1 4.27Å
318	W	90.8	Very high	96	Very high	86 Å²	86	19.4 Å²	19.4	33%	0.326	10%	0.096	S	C	.	.	S	Bend	trans	-159.4	147	-172.7	178.6	88.4	0	0	0	111.4	D316 H352 Y354 F356 F364 N367	D316-W318 PolarHBondContact O-N 3.29Å; W318-H352 AromaticContact CD2-CE1 3.56Å; W318-H352 AromaticContact CE2-CE1 3.53Å; W318-H352 AromaticContact CE3-CE1 3.57Å; W318-H352 AromaticContact CE3-NE2 3.61Å; W318-H352 AromaticContact CH2-CE1 3.55Å; W318-H352 AromaticContact CH2-NE2 3.58Å; W318-H352 AromaticContact CZ2-CE1 3.55Å; W318-H352 AromaticContact CZ3-CE1 3.57Å; W318-H352 AromaticContact CZ3-NE2 3.33Å; W318-H352 VanDerWaalsContact CZ3-NE2 3.33Å; W318-H352 WeakPolarHBondContact CZ3-NE2 3.35Å; W318-Y354 HydrophobicContact CB-CE2 4.23Å; W318-F356 HydrophobicContact CB-CE1 4.09Å; W318-F356 HydrophobicContact CB-CZ 4.28Å; W318-F356 HydrophobicContact CE3-CZ 4.46Å; W318-F364 HydrophobicContact CZ3-CD2 4.08Å; W318-F364 HydrophobicContact CZ3-CE2 4.4Å; W318-N367 PolarHBondContact O-ND2 3.05Å
319	G	87.9	Confident	96	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	10%	0.095	C	C	.	.	S	Bend	trans	95.4	144.3	170.4	0	0	0	0	0	113.2	M192 E321 N367	M192-G319 VanDerWaalsContact CE-O 3.25Å; M192-G319 WeakPolarHBondContact CE-O 3.33Å; G319-E321 VanDerWaalsContact C-N 3.29Å; G319-E321 WeakPolarHBondContact CA-OE2 3.27Å; G319-E321 PolarHBondContact N-OE2 2.95Å; G319-E321 PolarHBondContact O-N 2.99Å; G319-N367 WeakPolarHBondContact O-CB 3.39Å; G319-N367 PolarHBondContact O-ND2 3.47Å
320	G	91.3	Very high	96.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	87.3	-17.6	177.5	0	0	0	0	0	114.9	N322 L323 E324	G320-N322 VanDerWaalsContact C-N 3.35Å; G320-L323 WeakPolarHBondContact O-CB 3.45Å; G320-L323 PolarHBondContact O-N 2.82Å; G320-E324 PolarHBondContact O-N 3.39Å; G320-E324 VanDerWaalsContact O-N 3.13Å
321	E	96.2	Very high	96.1	Very high	6 Å²	6	17 Å²	17	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-71.6	-31.8	-180	83.2	-65.9	171.8	0	0	112.6	M192 Y311 M315 G319 E324 I325	M192-E321 HydrophobicContact CE-CB 3.73Å; M192-E321 HydrophobicContact CE-CG 4.15Å; M192-E321 WeakPolarHBondContact CE-OE2 3.23Å; M192-E321 HydrophobicContact CG-CB 3.54Å; M192-E321 HydrophobicContact CG-CG 3.99Å; M192-E321 HydrophobicContact SD-CB 4.48Å; Y311-E321 HydrophobicContact CD1-CB 3.94Å; Y311-E321 HydrophobicContact CD1-CG 4.41Å; Y311-E321 HydrophobicContact CE1-CB 3.73Å; Y311-E321 HydrophobicContact CE1-CG 3.8Å; M315-E321 HydrophobicContact SD-CB 3.95Å; G319-E321 VanDerWaalsContact C-N 3.29Å; G319-E321 WeakPolarHBondContact CA-OE2 3.27Å; G319-E321 PolarHBondContact N-OE2 2.95Å; G319-E321 PolarHBondContact O-N 2.99Å; E321-E324 PolarHBondContact O-N 2.65Å; E321-I325 VanDerWaalsContact O-CG2 3.3Å; E321-I325 WeakPolarHBondContact O-CG2 3.16Å; E321-I325 PolarHBondContact O-N 3.31Å
322	N	95.8	Very high	96.1	Very high	16 Å²	16	18 Å²	18	9%	0.086	9%	0.087	C	C	.	.	H	α-helix	trans	-66	-38.9	175.5	64.7	-36.5	0	0	0	111.7	A294 G320 S326	A294-N322 WeakPolarHBondContact O-CB 3.13Å; A294-N322 PolarHBondContact O-ND2 3.48Å; G320-N322 VanDerWaalsContact C-N 3.35Å; N322-S326 WeakPolarHBondContact O-CB 3.15Å; N322-S326 PolarHBondContact O-N 3.27Å; N322-S326 VanDerWaalsContact O-N 3.15Å; N322-S326 PolarHBondContact O-OG 2.04Å
323	L	97.6	Very high	96.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-62.7	-53.3	170.7	-68.7	160.5	0	0	0	110.9	F261 L265 M292 G320 I325 S326 F327 T368 A371	F261-L323 HydrophobicContact CG-CD2 4.42Å; L265-L323 HydrophobicContact CB-CD1 3.81Å; L265-L323 HydrophobicContact CB-CD2 4.39Å; L265-L323 WeakPolarHBondContact O-CD1 3.31Å; M292-L323 HydrophobicContact CE-CD2 4.2Å; M292-L323 HydrophobicContact SD-CD2 3.43Å; M292-L323 WeakPolarHBondContact SD-CD2 3.25Å; M292-L323 HydrophobicContact SD-CG 3.97Å; G320-L323 WeakPolarHBondContact O-CB 3.45Å; G320-L323 PolarHBondContact O-N 2.82Å; L323-I325 PolarHBondContact O-N 2.88Å; L323-S326 PolarHBondContact O-N 2.82Å; L323-F327 HydrophobicContact CB-CD2 4.46Å; L323-F327 HydrophobicContact CB-CE2 4.06Å; L323-F327 HydrophobicContact CB-CZ 4.4Å; L323-F327 HydrophobicContact CD2-CE1 4.5Å; L323-F327 HydrophobicContact CD2-CE2 4.17Å; L323-F327 HydrophobicContact CD2-CZ 3.77Å; L323-F327 WeakPolarHBondContact O-CB 3.49Å; L323-F327 WeakPolarHBondContact O-CD2 3.48Å; L323-F327 WeakPolarHBondContact O-CG 3.44Å; L323-F327 PolarHBondContact O-N 2.83Å; L323-T368 HydrophobicContact CD1-CG2 4.25Å; L323-A371 HydrophobicContact CB-CB 4.42Å
324	E	98.7	Very high	96.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-49.5	-174.3	-166.9	-75.5	152.6	0	0	111.9	M315 G320 E321 R328 A371 W375 R401	M315-E324 HydrophobicContact CE-CB 3.7Å; M315-E324 HydrophobicContact CE-CG 3.85Å; G320-E324 PolarHBondContact O-N 3.39Å; G320-E324 VanDerWaalsContact O-N 3.13Å; E321-E324 PolarHBondContact O-N 2.65Å; E324-R328 WeakPolarHBondContact O-CB 3.13Å; E324-R328 PolarHBondContact O-N 3.18Å; E324-R328 IonicContact OE1-CZ 3.89Å; E324-R328 IonicContact OE1-NE 2.69Å; E324-R328 PolarHBondContact OE1-NE 2.86Å; E324-R328 VanDerWaalsContact OE1-NE 3.09Å; E324-R328 IonicContact OE1-NH2 2.68Å; E324-R328 IonicContact OE2-CZ 3.89Å; E324-R328 IonicContact OE2-NE 3.09Å; E324-R328 PolarHBondContact OE2-NE 2.65Å; E324-R328 IonicContact OE2-NH2 2.69Å; E324-R328 PolarHBondContact OE2-NH2 2.98Å; E324-A371 HydrophobicContact CB-CB 3.99Å; E324-A371 HydrophobicContact CG-CB 4.41Å; E324-W375 PolarHBondContact OE1-NE1 3.41Å; E324-R401 IonicContact OE1-CZ 2.76Å; E324-R401 IonicContact OE1-NE 3.29Å; E324-R401 IonicContact OE1-NH2 3.38Å; E324-R401 PolarHBondContact OE1-NH2 3.08Å
325	I	98.8	Very high	96.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68.9	-36	179.6	-162.6	166.2	0	0	0	111.5	I293 F298 M300 F305 Y311 E321 L323 R328 V329	I293-I325 HydrophobicContact CD1-CG2 4.28Å; F298-I325 HydrophobicContact CE2-CD1 4.38Å; F298-I325 HydrophobicContact CZ-CD1 4.26Å; M300-I325 HydrophobicContact SD-CD1 4.45Å; F305-I325 HydrophobicContact CE2-CD1 4.4Å; Y311-I325 HydrophobicContact CE1-CB 3.91Å; Y311-I325 HydrophobicContact CE1-CD1 3.94Å; Y311-I325 HydrophobicContact CE1-CG1 4.5Å; Y311-I325 HydrophobicContact CE1-CG2 4.1Å; E321-I325 VanDerWaalsContact O-CG2 3.3Å; E321-I325 WeakPolarHBondContact O-CG2 3.16Å; E321-I325 PolarHBondContact O-N 3.31Å; L323-I325 PolarHBondContact O-N 2.88Å; I325-R328 PolarHBondContact O-N 2.72Å; I325-V329 HydrophobicContact CG1-CG2 4.1Å; I325-V329 WeakPolarHBondContact O-CB 3.04Å; I325-V329 WeakPolarHBondContact O-CG2 3.25Å; I325-V329 PolarHBondContact O-N 3.3Å
326	S	98.9	Very high	96.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.9	-47.2	179.9	-63.8	0	0	0	0	111.6	M292 I293 N322 L323 W330 L336	M292-S326 WeakPolarHBondContact CG-OG 3.39Å; I293-S326 PolarHBondContact N-OG 3.3Å; N322-S326 WeakPolarHBondContact O-CB 3.15Å; N322-S326 PolarHBondContact O-N 3.27Å; N322-S326 VanDerWaalsContact O-N 3.15Å; N322-S326 PolarHBondContact O-OG 2.04Å; L323-S326 PolarHBondContact O-N 2.82Å; S326-W330 PolarHBondContact O-N 2.86Å; S326-L336 VanDerWaalsContact CB-CD1 3.49Å
327	F	98.8	Very high	96.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-46.7	175.4	-68.1	-15.8	0	0	0	111.5	F261 L323 Q331 W375 M376 F413 Y416	F261-F327 HydrophobicContact CD1-CE1 4.47Å; F261-F327 AromaticContact CE1-CE1 3.6Å; F261-F327 HydrophobicContact CE1-CE1 3.6Å; F261-F327 AromaticContact CE1-CZ 3.97Å; F261-F327 HydrophobicContact CE1-CZ 3.97Å; F261-F327 HydrophobicContact CE2-CZ 4.14Å; F261-F327 AromaticContact CZ-CE1 3.63Å; F261-F327 HydrophobicContact CZ-CE1 3.63Å; F261-F327 AromaticContact CZ-CZ 3.68Å; F261-F327 HydrophobicContact CZ-CZ 3.68Å; L323-F327 HydrophobicContact CB-CD2 4.46Å; L323-F327 HydrophobicContact CB-CE2 4.06Å; L323-F327 HydrophobicContact CB-CZ 4.4Å; L323-F327 HydrophobicContact CD2-CE1 4.5Å; L323-F327 HydrophobicContact CD2-CE2 4.17Å; L323-F327 HydrophobicContact CD2-CZ 3.77Å; L323-F327 WeakPolarHBondContact O-CB 3.49Å; L323-F327 WeakPolarHBondContact O-CD2 3.48Å; L323-F327 WeakPolarHBondContact O-CG 3.44Å; L323-F327 PolarHBondContact O-N 2.83Å; F327-Q331 VanDerWaalsContact O-CB 3.23Å; F327-Q331 WeakPolarHBondContact O-CB 3.23Å; F327-Q331 VanDerWaalsContact O-CG 3.31Å; F327-Q331 WeakPolarHBondContact O-CG 3.31Å; F327-Q331 PolarHBondContact O-N 3.37Å; F327-Q331 PolarHBondContact O-NE2 3.34Å; F327-W375 HydrophobicContact CB-CB 3.93Å; F327-W375 HydrophobicContact CB-CD2 4.4Å; F327-W375 HydrophobicContact CB-CG 4.06Å; F327-W375 HydrophobicContact CD2-CB 3.92Å; F327-W375 HydrophobicContact CG-CB 4.35Å; F327-M376 HydrophobicContact CD2-CG 4.49Å; F327-M376 HydrophobicContact CE2-CG 4.06Å; F327-M376 HydrophobicContact CE2-SD 4.17Å; F327-F413 AromaticContact CD1-CE2 3.94Å; F327-F413 HydrophobicContact CD1-CE2 3.94Å; F327-F413 HydrophobicContact CD2-CE2 4.23Å; F327-F413 AromaticContact CE1-CE2 3.9Å; F327-F413 HydrophobicContact CE1-CE2 3.9Å; F327-F413 HydrophobicContact CE1-CZ 4.19Å; F327-F413 HydrophobicContact CE2-CE2 4.18Å; F327-F413 HydrophobicContact CG-CE2 4.12Å; F327-F413 HydrophobicContact CZ-CE2 4.02Å; F327-F413 HydrophobicContact CZ-CZ 4.13Å; F327-Y416 HydrophobicContact CD1-CE1 4.12Å; F327-Y416 HydrophobicContact CD1-CE2 4.1Å; F327-Y416 AromaticContact CD1-CZ 3.8Å; F327-Y416 AromaticContact CE1-CE1 3.96Å; F327-Y416 HydrophobicContact CE1-CE1 3.96Å; F327-Y416 AromaticContact CE1-CZ 3.89Å
328	R	98.8	Very high	97.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.9	-50	179.5	174.7	160	42.9	97	8.6	112.7	L308 K310 E324 I325 W330 Q331 C332 W375 R401	L308-R328 HydrophobicContact CD2-CG 4.39Å; L308-R328 VanDerWaalsContact O-CD 3.27Å; L308-R328 WeakPolarHBondContact O-CD 3.18Å; L308-R328 PolarHBondContact O-NH1 3.32Å; K310-R328 PolarHBondContact O-NH1 3.07Å; K310-R328 PolarHBondContact O-NH2 3.34Å; E324-R328 WeakPolarHBondContact O-CB 3.13Å; E324-R328 PolarHBondContact O-N 3.18Å; E324-R328 IonicContact OE1-CZ 3.89Å; E324-R328 IonicContact OE1-NE 2.69Å; E324-R328 PolarHBondContact OE1-NE 2.86Å; E324-R328 VanDerWaalsContact OE1-NE 3.09Å; E324-R328 IonicContact OE1-NH2 2.68Å; E324-R328 IonicContact OE2-CZ 3.89Å; E324-R328 IonicContact OE2-NE 3.09Å; E324-R328 PolarHBondContact OE2-NE 2.65Å; E324-R328 IonicContact OE2-NH2 2.69Å; E324-R328 PolarHBondContact OE2-NH2 2.98Å; I325-R328 PolarHBondContact O-N 2.72Å; R328-W330 PolarHBondContact O-N 2.86Å; R328-Q331 PolarHBondContact O-N 2.9Å; R328-C332 WeakPolarHBondContact O-CB 3.46Å; R328-C332 PolarHBondContact O-N 3.27Å; R328-C332 PolarHBondContact O-SG 3.23Å; R328-W375 HydrophobicContact CB-CD2 4.36Å; R328-W375 HydrophobicContact CB-CE3 4.35Å; R328-W375 HydrophobicContact CB-CH2 3.52Å; R328-W375 HydrophobicContact CB-CZ2 3.51Å; R328-W375 HydrophobicContact CB-CZ3 3.94Å; R328-W375 VanDerWaalsContact CD-CZ2 3.47Å; R328-W375 HydrophobicContact CG-CH2 3.43Å; R328-W375 VanDerWaalsContact CG-CH2 3.43Å; R328-W375 HydrophobicContact CG-CZ2 3.66Å; R328-W375 HydrophobicContact CG-CZ3 4.16Å; R328-R401 VanDerWaalsContact CD-NH2 3.29Å
329	V	98.9	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.4	-51	-178.8	167.6	0	0	0	0	110.1	V235 M300 L308 I325 G333 G334 L336	V235-V329 HydrophobicContact CB-CG1 4.49Å; V235-V329 HydrophobicContact CG2-CG1 4.09Å; V235-V329 HydrophobicContact CG2-CG2 3.96Å; M300-V329 HydrophobicContact CE-CG2 4.41Å; L308-V329 HydrophobicContact CD1-CG2 3.79Å; I325-V329 HydrophobicContact CG1-CG2 4.1Å; I325-V329 WeakPolarHBondContact O-CB 3.04Å; I325-V329 WeakPolarHBondContact O-CG2 3.25Å; I325-V329 PolarHBondContact O-N 3.3Å; V329-G333 PolarHBondContact O-N 3.06Å; V329-G334 WeakPolarHBondContact O-CA 3.28Å; V329-G334 PolarHBondContact O-N 2.8Å; V329-L336 HydrophobicContact CB-CD2 4.27Å; V329-L336 HydrophobicContact CG1-CD2 4.05Å; V329-L336 HydrophobicContact CG1-CG 4.27Å
330	W	98.8	Very high	98.1	Very high	21 Å²	21	8.3 Å²	8.3	8%	0.08	6%	0.061	C	C	.	.	H	α-helix	trans	-64.9	-50.6	-179.9	-81.9	117	0	0	0	113.3	K289 T290 S326 R328 C332 G333 S335 L336 W415 Y416 V420	K289-W330 HydrophobicContact CB-CH2 4.27Å; K289-W330 HydrophobicContact CB-CZ2 4.38Å; K289-W330 HydrophobicContact CD-CH2 4.06Å; K289-W330 HydrophobicContact CG-CH2 4.2Å; T290-W330 PolarHBondContact O-NE1 3.01Å; S326-W330 PolarHBondContact O-N 2.86Å; R328-W330 PolarHBondContact O-N 2.86Å; W330-C332 VanDerWaalsContact C-N 3.26Å; W330-C332 PolarHBondContact O-N 2.8Å; W330-G333 PolarHBondContact O-N 2.83Å; W330-S335 VanDerWaalsContact CH2-CB 3.47Å; W330-L336 VanDerWaalsContact CD1-CD1 3.47Å; W330-L336 HydrophobicContact CZ2-CB 4.25Å; W330-L336 VanDerWaalsContact CZ2-N 3.33Å; W330-L336 VanDerWaalsContact NE1-CD1 3.33Å; W330-W415 VanDerWaalsContact O-CZ3 3.31Å; W330-W415 WeakPolarHBondContact O-CZ3 3.44Å; W330-Y416 HydrophobicContact CB-CD2 3.76Å; W330-Y416 HydrophobicContact CB-CE2 3.93Å; W330-Y416 AromaticContact CD1-CE2 3.77Å; W330-Y416 HydrophobicContact CG-CD2 4.25Å; W330-Y416 HydrophobicContact CG-CE2 4.01Å; W330-V420 HydrophobicContact CB-CG2 4.23Å; W330-V420 HydrophobicContact CD2-CB 4.34Å; W330-V420 HydrophobicContact CD2-CG1 3.58Å; W330-V420 HydrophobicContact CD2-CG2 3.77Å; W330-V420 HydrophobicContact CE3-CG1 4.2Å; W330-V420 HydrophobicContact CE3-CG2 3.65Å; W330-V420 HydrophobicContact CG-CB 4.5Å; W330-V420 HydrophobicContact CG-CG1 3.73Å; W330-V420 HydrophobicContact CG-CG2 4.06Å; W330-V420 HydrophobicContact CZ2-CG1 4.08Å; W330-V420 HydrophobicContact CZ3-CG2 4.26Å
331	Q	98.9	Very high	98.4	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-66.8	-29.4	-176.9	-72.9	172.9	68.2	0	0	112.2	F327 R328 W375 C410 K411	F327-Q331 VanDerWaalsContact O-CB 3.23Å; F327-Q331 WeakPolarHBondContact O-CB 3.23Å; F327-Q331 VanDerWaalsContact O-CG 3.31Å; F327-Q331 WeakPolarHBondContact O-CG 3.31Å; F327-Q331 PolarHBondContact O-N 3.37Å; F327-Q331 PolarHBondContact O-NE2 3.34Å; R328-Q331 PolarHBondContact O-N 2.9Å; Q331-W375 HydrophobicContact CB-CZ3 4.48Å; Q331-W375 PolarHBondContact NE2-O 2.98Å; Q331-W375 PolarHBondContact OE1-O 3.02Å; Q331-C410 HydrophobicContact CB-CB 4.17Å; Q331-C410 CarbonylContact O-C 3.53Å; Q331-C410 VanDerWaalsContact O-CA 3.31Å; Q331-C410 WeakPolarHBondContact O-CA 3.21Å; Q331-K411 PolarHBondContact O-N 3.39Å; Q331-K411 PolarHBondContact OE1-O 3.36Å; Q331-K411 VanDerWaalsContact OE1-O 3.1Å
332	C	98.7	Very high	98.5	Very high	23 Å²	23	8.2 Å²	8.2	16%	0.155	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	21.6	-178.4	-48.6	0	0	0	0	113.3	L308 R328 W330 W375 L408 C410	L308-C332 HydrophobicContact CD2-CB 3.84Å; R328-C332 WeakPolarHBondContact O-CB 3.46Å; R328-C332 PolarHBondContact O-N 3.27Å; R328-C332 PolarHBondContact O-SG 3.23Å; W330-C332 VanDerWaalsContact C-N 3.26Å; W330-C332 PolarHBondContact O-N 2.8Å; C332-W375 VanDerWaalsContact SG-CZ3 3.56Å; C332-L408 HydrophobicContact CB-CB 4.45Å; C332-L408 HydrophobicContact CB-CD1 4.42Å; C332-C410 HydrophobicContact CB-CB 4.05Å; C332-C410 WeakPolarHBondContact CB-SG 3.29Å; C332-C410 WeakPolarHBondContact SG-CB 3.42Å; C332-C410 CovalentContact SG-SG 2.04Å; C332-C410 PolarHBondContact SG-SG 3.19Å
333	G	98.1	Very high	98.7	Very high	58 Å²	58	8.2 Å²	8.2	60%	0.598	6%	0.059	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.3	3.4	163.6	0	0	0	0	0	116.9	V329 W330	V329-G333 PolarHBondContact O-N 3.06Å; W330-G333 PolarHBondContact O-N 2.83Å
334	G	98.6	Very high	98.7	Very high	8 Å²	8	8.2 Å²	8.2	8%	0.082	6%	0.059	C	C	.	.			trans	-92	-167	170.7	0	0	0	0	0	113.1	T233 Y304 V329	T233-G334 VanDerWaalsContact O-CA 3.3Å; T233-G334 WeakPolarHBondContact O-CA 3.48Å; Y304-G334 WeakPolarHBondContact OH-CA 3.37Å; Y304-G334 PolarHBondContact OH-N 2.97Å; V329-G334 WeakPolarHBondContact O-CA 3.28Å; V329-G334 PolarHBondContact O-N 2.8Å
335	S	98.8	Very high	98.7	Very high	15 Å²	15	8.1 Å²	8.1	11%	0.105	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.6	175.2	58	0	0	0	0	112.6	T233 V235 W330	T233-S335 PolarHBondContact O-N 2.83Å; V235-S335 PolarHBondContact N-O 2.71Å; W330-S335 VanDerWaalsContact CH2-CB 3.47Å
336	L	98.9	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.9	174.7	-58.3	167.6	0	0	0	110.3	V235 K289 T290 I293 S326 V329 W330	V235-L336 HydrophobicContact CB-CD2 3.72Å; V235-L336 HydrophobicContact CG1-CD2 3.82Å; V235-L336 VanDerWaalsContact O-CA 3.28Å; V235-L336 WeakPolarHBondContact O-CA 3.33Å; K289-L336 WeakPolarHBondContact CA-O 3.48Å; T290-L336 HydrophobicContact CG2-CB 3.7Å; T290-L336 PolarHBondContact N-O 3.26Å; T290-L336 WeakPolarHBondContact O-CB 3.41Å; I293-L336 HydrophobicContact CG2-CB 4.22Å; I293-L336 HydrophobicContact CG2-CD1 4.34Å; I293-L336 HydrophobicContact CG2-CD2 4.01Å; I293-L336 HydrophobicContact CG2-CG 4.42Å; S326-L336 VanDerWaalsContact CB-CD1 3.49Å; V329-L336 HydrophobicContact CB-CD2 4.27Å; V329-L336 HydrophobicContact CG1-CD2 4.05Å; V329-L336 HydrophobicContact CG1-CG 4.27Å; W330-L336 VanDerWaalsContact CD1-CD1 3.47Å; W330-L336 HydrophobicContact CZ2-CB 4.25Å; W330-L336 VanDerWaalsContact CZ2-N 3.33Å; W330-L336 VanDerWaalsContact NE1-CD1 3.33Å
337	E	98.9	Very high	98.7	Very high	7 Å²	7	9 Å²	9	3%	0.033	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.4	178.7	-51.9	-177.5	154.1	0	0	112.2	R227 V235 V236 S237 P287 I288 I339	R227-E337 IonicContact CZ-OE1 3.33Å; R227-E337 IonicContact CZ-OE2 2.97Å; R227-E337 IonicContact NE-OE2 2.77Å; R227-E337 PolarHBondContact NE-OE2 3.05Å; R227-E337 IonicContact NH2-OE1 2.66Å; R227-E337 PolarHBondContact NH2-OE1 2.88Å; R227-E337 IonicContact NH2-OE2 3.64Å; R227-E337 PolarHBondContact NH2-OE2 2.76Å; R227-E337 VanDerWaalsContact NH2-OE2 3.13Å; V235-E337 PolarHBondContact O-N 2.64Å; V236-E337 CarbonylContact C-O 3.04Å; V236-E337 WeakPolarHBondContact CA-O 3.23Å; V236-E337 HydrophobicContact CG1-CB 4.01Å; V236-E337 HydrophobicContact CG1-CG 4.44Å; S237-E337 PolarHBondContact N-O 3.14Å; S237-E337 PolarHBondContact OG-O 3.25Å; P287-E337 HydrophobicContact CB-CB 4.42Å; I288-E337 CarbonylContact O-C 3.48Å; I288-E337 VanDerWaalsContact O-CA 3.23Å; I288-E337 WeakPolarHBondContact O-CA 3.22Å; E337-I339 HydrophobicContact CB-CD1 3.78Å
338	I	98.8	Very high	98.2	Very high	7 Å²	7	12.7 Å²	12.7	4%	0.036	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.7	162.2	-61.7	165.3	0	0	0	107.1	S237 I239 W269 I288 T290 P340	S237-I338 CarbonylContact O-C 3.56Å; S237-I338 WeakPolarHBondContact O-CA 3.32Å; S237-I338 WeakPolarHBondContact OG-CG1 3.46Å; I239-I338 HydrophobicContact CG1-CG2 3.65Å; W269-I338 HydrophobicContact CZ3-CD1 4.23Å; I288-I338 HydrophobicContact CB-CB 4.19Å; I288-I338 HydrophobicContact CD1-CB 4.47Å; I288-I338 HydrophobicContact CD1-CG2 4.4Å; I288-I338 PolarHBondContact N-O 2.88Å; I288-I338 PolarHBondContact O-N 2.84Å; T290-I338 HydrophobicContact CG2-CD1 4.26Å; T290-I338 HydrophobicContact CG2-CG1 3.98Å; I338-P340 WeakPolarHBondContact O-CD 3.47Å
339	I	98.8	Very high	97.6	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.041	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	105.7	-174	-52.1	-52.8	0	0	0	109.7	P223 L224 R227 V236 S237 P287 E337 C341 S342	P223-I339 HydrophobicContact CB-CG2 3.69Å; L224-I339 HydrophobicContact CD2-CB 3.85Å; L224-I339 HydrophobicContact CD2-CG1 3.73Å; R227-I339 HydrophobicContact CG-CD1 3.79Å; R227-I339 HydrophobicContact CG-CG1 4.27Å; V236-I339 HydrophobicContact CB-CD1 4.38Å; V236-I339 HydrophobicContact CB-CG1 3.98Å; V236-I339 HydrophobicContact CG1-CD1 4.35Å; V236-I339 HydrophobicContact CG1-CG1 4.46Å; S237-I339 PolarHBondContact O-N 2.76Å; P287-I339 HydrophobicContact CB-CD1 3.73Å; P287-I339 HydrophobicContact CG-CD1 4.01Å; E337-I339 HydrophobicContact CB-CD1 3.78Å; I339-C341 VanDerWaalsContact C-N 3.26Å; I339-C341 PolarHBondContact O-N 3.02Å; I339-C341 VanDerWaalsContact O-N 3.14Å; I339-S342 PolarHBondContact O-N 3.4Å
340	P	98.4	Very high	96.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.019	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	-28.4	-170.7	-26.5	34.8	0	0	0	116	I239 A286 I288 I338 S342	I239-P340 HydrophobicContact CD1-CB 3.94Å; A286-P340 WeakPolarHBondContact O-CD 2.86Å; A286-P340 WeakPolarHBondContact O-CG 3.36Å; I288-P340 HydrophobicContact CD1-CG 3.98Å; I288-P340 HydrophobicContact CG1-CG 4.39Å; I338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-S342 VanDerWaalsContact C-N 3.29Å
341	C	98.6	Very high	95	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.02	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-14.2	177.4	-65.5	0	0	0	0	113.9	R109 C113 W118 P223 I339	R109-C341 WeakPolarHBondContact CD-O 3.44Å; C113-C341 VanDerWaalsContact CA-SG 3.58Å; C113-C341 HydrophobicContact CB-CB 3.64Å; C113-C341 WeakPolarHBondContact CB-SG 3.18Å; C113-C341 WeakPolarHBondContact SG-CA 3.49Å; C113-C341 WeakPolarHBondContact SG-CB 3.24Å; C113-C341 CovalentContact SG-SG 2.04Å; C113-C341 PolarHBondContact SG-SG 3.03Å; W118-C341 HydrophobicContact CH2-CB 3.96Å; W118-C341 HydrophobicContact CZ2-CB 3.92Å; P223-C341 HydrophobicContact CB-CB 4.32Å; P223-C341 HydrophobicContact CG-CB 4.15Å; I339-C341 VanDerWaalsContact C-N 3.26Å; I339-C341 PolarHBondContact O-N 3.02Å; I339-C341 VanDerWaalsContact O-N 3.14Å
342	S	98.8	Very high	93.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.8	172.5	-176.6	0	0	0	0	109.4	W220 L224 P238 I239 I339 P340	W220-S342 VanDerWaalsContact O-CB 3.27Å; W220-S342 WeakPolarHBondContact O-CB 3.45Å; W220-S342 PolarHBondContact O-OG 3.27Å; L224-S342 WeakPolarHBondContact CD1-OG 3.45Å; L224-S342 WeakPolarHBondContact CG-OG 3.29Å; P238-S342 WeakPolarHBondContact CA-O 3.43Å; P238-S342 WeakPolarHBondContact CB-O 3.49Å; P238-S342 WeakPolarHBondContact CB-OG 3.33Å; I239-S342 PolarHBondContact N-O 2.79Å; I339-S342 PolarHBondContact O-N 3.4Å; P340-S342 VanDerWaalsContact C-N 3.29Å
343	R	98.9	Very high	91.7	Very high	17 Å²	17	33.4 Å²	33.4	6%	0.064	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.4	-177.7	-68.5	-74.4	-174.5	150.9	6.2	109.5	T108 R109 N217 D241 A253	T108-R343 PolarHBondContact O-NE 3.46Å; T108-R343 PolarHBondContact O-NH2 3.43Å; T108-R343 WeakPolarHBondContact OG1-CD 3.48Å; T108-R343 WeakPolarHBondContact OG1-CG 3.38Å; R109-R343 HydrophobicContact CG-CB 4.39Å; R109-R343 HydrophobicContact CG-CG 3.67Å; N217-R343 HydrophobicContact CB-CB 3.71Å; N217-R343 VanDerWaalsContact CB-O 3.25Å; N217-R343 WeakPolarHBondContact CB-O 3.04Å; N217-R343 PolarHBondContact N-O 2.8Å; D241-R343 IonicContact OD1-CZ 3.64Å; D241-R343 IonicContact OD1-NH1 2.66Å; D241-R343 PolarHBondContact OD1-NH1 3.13Å; D241-R343 WeakPolarHBondContact OD2-CD 3.29Å; D241-R343 IonicContact OD2-NH1 3.71Å; A253-R343 PolarHBondContact O-NH1 2.85Å
344	V	98.9	Very high	90.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.1	173.7	-176.2	0	0	0	0	108.3	L210 C214 W220 P238 I239 I240 D241 L297	L210-V344 HydrophobicContact CD2-CG1 4.35Å; C214-V344 HydrophobicContact CB-CG1 3.84Å; W220-V344 HydrophobicContact CB-CG2 4.35Å; W220-V344 HydrophobicContact CD2-CG2 4.04Å; W220-V344 HydrophobicContact CE3-CG2 3.37Å; W220-V344 HydrophobicContact CG-CG2 4.47Å; W220-V344 HydrophobicContact CZ3-CG2 3.98Å; P238-V344 HydrophobicContact CB-CB 4.24Å; P238-V344 HydrophobicContact CB-CG2 3.84Å; P238-V344 HydrophobicContact CG-CB 3.97Å; P238-V344 HydrophobicContact CG-CG2 3.78Å; I239-V344 PolarHBondContact O-N 3.42Å; I240-V344 CarbonylContact C-O 3.56Å; I240-V344 VanDerWaalsContact CA-O 3.3Å; I240-V344 WeakPolarHBondContact CA-O 3.37Å; D241-V344 PolarHBondContact N-O 2.99Å; L297-V344 HydrophobicContact CD2-CB 3.73Å; L297-V344 HydrophobicContact CD2-CG1 3.41Å; L297-V344 VanDerWaalsContact CD2-CG1 3.41Å; L297-V344 HydrophobicContact CD2-CG2 4.49Å
345	G	98.7	Very high	88.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	145.4	175.5	0	0	0	0	0	110.9	C214 E215 D241 Y250	C214-G345 CarbonylContact C-O 3.51Å; C214-G345 WeakPolarHBondContact CA-O 3.45Å; C214-G345 WeakPolarHBondContact CB-O 3.5Å; E215-G345 PolarHBondContact N-O 3.31Å; E215-G345 PolarHBondContact O-N 3.15Å; D241-G345 CarbonylContact O-C 3.55Å; D241-G345 WeakPolarHBondContact O-CA 3.17Å; Y250-G345 VanDerWaalsContact CE2-CA 3.45Å; Y250-G345 PolarHBondContact OH-N 3.1Å
346	H	98.8	Very high	87.5	Confident	19 Å²	19	38.5 Å²	38.5	9%	0.088	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.8	176.5	178.9	-89.1	0	0	0	110.8	D211 H213 I240 D241 I243 F348	D211-H346 IonicContact OD2-CD2 3.91Å; D211-H346 IonicContact OD2-NE2 3.29Å; D211-H346 PolarHBondContact OD2-NE2 3.42Å; H213-H346 AromaticContact CD2-CD2 3.9Å; H213-H346 AromaticContact CD2-CE1 3.89Å; H213-H346 AromaticContact CD2-NE2 3.51Å; H213-H346 AromaticContact NE2-CE1 3.67Å; H213-H346 AromaticContact NE2-NE2 3.24Å; H213-H346 PolarHBondContact NE2-NE2 2.91Å; I240-H346 HydrophobicContact CG2-CB 3.45Å; I240-H346 VanDerWaalsContact CG2-CB 3.45Å; D241-H346 PolarHBondContact O-N 3.19Å; I243-H346 PolarHBondContact N-O 3.29Å; H346-F348 HydrophobicContact CB-CD2 4.49Å; H346-F348 HydrophobicContact CB-CE2 4.12Å; H346-F348 HydrophobicContact CB-CZ 4.4Å; H346-F348 AromaticContact ND1-CD1 3.8Å; H346-F348 AromaticContact ND1-CD2 4Å; H346-F348 AromaticContact ND1-CE1 3.98Å; H346-F348 AromaticContact ND1-CG 3.82Å; H346-F348 PolarHBondContact ND1-N 3.21Å; H346-F348 WeakPolarHBondContact O-CD2 3.3Å; H346-F348 PolarHBondContact O-N 3.01Å; H346-F348 VanDerWaalsContact O-N 3.15Å
347	V	98.1	Very high	85.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	92.7	172.6	-173.8	0	0	0	0	110	F91 H213 I243 M245 F248	F91-V347 HydrophobicContact CB-CG1 3.84Å; F91-V347 HydrophobicContact CD1-CG1 3.74Å; F91-V347 HydrophobicContact CG-CG1 3.98Å; H213-V347 HydrophobicContact CB-CB 4.26Å; H213-V347 HydrophobicContact CB-CG2 4.11Å; H213-V347 PolarHBondContact O-N 3.17Å; I243-V347 HydrophobicContact CB-CG2 3.83Å; I243-V347 HydrophobicContact CD1-CG2 4.18Å; I243-V347 HydrophobicContact CG2-CG2 3.75Å; M245-V347 HydrophobicContact CB-CG1 4.23Å; F248-V347 HydrophobicContact CE1-CG2 3.82Å; F248-V347 HydrophobicContact CZ-CG1 4.39Å; F248-V347 HydrophobicContact CZ-CG2 4.26Å
348	F	88.8	Confident	84	Confident	76 Å²	76	46 Å²	46	33%	0.333	24%	0.242	S	C	.	.			trans	-70.8	128.1	174.7	-69.6	-83.2	0	0	0	110.9	I240 V242 M245 H346	I240-F348 HydrophobicContact CB-CZ 4.31Å; I240-F348 HydrophobicContact CG2-CE2 3.88Å; I240-F348 HydrophobicContact CG2-CZ 3.57Å; V242-F348 HydrophobicContact CB-CD2 4.33Å; V242-F348 HydrophobicContact CG1-CD2 4.18Å; V242-F348 HydrophobicContact CG2-CD2 3.99Å; V242-F348 HydrophobicContact CG2-CE2 3.93Å; M245-F348 WeakPolarHBondContact CB-O 3.49Å; H346-F348 HydrophobicContact CB-CD2 4.49Å; H346-F348 HydrophobicContact CB-CE2 4.12Å; H346-F348 HydrophobicContact CB-CZ 4.4Å; H346-F348 AromaticContact ND1-CD1 3.8Å; H346-F348 AromaticContact ND1-CD2 4Å; H346-F348 AromaticContact ND1-CE1 3.98Å; H346-F348 AromaticContact ND1-CG 3.82Å; H346-F348 PolarHBondContact ND1-N 3.21Å; H346-F348 WeakPolarHBondContact O-CD2 3.3Å; H346-F348 PolarHBondContact O-N 3.01Å; H346-F348 VanDerWaalsContact O-N 3.15Å
349	R	85	Confident	82.8	Confident	53 Å²	53	47.2 Å²	47.2	20%	0.2	26%	0.257	C	S	.	.			trans	-115	151.9	-177.6	-50.8	175.6	-157	-165.2	5.7	110.1	N89 F91 E134 H213	N89-R349 WeakPolarHBondContact O-CD 3.44Å; N89-R349 PolarHBondContact O-NH1 2.98Å; F91-R349 HydrophobicContact CD1-CG 4.44Å; F91-R349 VanDerWaalsContact CE1-CZ 3.42Å; F91-R349 VanDerWaalsContact CE1-NH2 3.32Å; E134-R349 IonicContact OE1-NH2 3.41Å; E134-R349 PolarHBondContact OE1-NH2 3.31Å; E134-R349 IonicContact OE2-NH2 3.86Å; E134-R349 PolarHBondContact OE2-NH2 2.84Å; H213-R349 PolarHBondContact CD2-NH2 3.14Å; H213-R349 PolarHBondContact CE1-NH2 3.03Å; H213-R349 PolarHBondContact ND1-NH2 3.42Å; H213-R349 PolarHBondContact NE2-NH2 2.98Å
350	K	74.3	Confident	81.7	Confident	187 Å²	187	50 Å²	50	81%	0.813	28%	0.278	S	S	*	.	S	Bend	trans	-82	-21	173.4	-65.7	-177.5	-179	177	0	113.5	M245	M245-K350 HydrophobicContact SD-CG 4.15Å
351	Q	69.3	Low	80.5	Confident	129 Å²	129	52.4 Å²	52.4	60%	0.603	30%	0.302	S	S	*	.	S	Bend	trans	-145.8	151.9	-175.3	-65.2	-179.1	-2.2	0	0	110.5	K90	K90-Q351 WeakPolarHBondContact CB-O 3.39Å; K90-Q351 HydrophobicContact CG-CB 4.28Å
352	H	72	Confident	79.8	Confident	73 Å²	73	55.7 Å²	55.7	34%	0.338	32%	0.322	S	S	.	.			trans	-80	134.7	173.6	-58.3	-76.2	0	0	0	110.7	W318 Y354 F356	W318-H352 AromaticContact CD2-CE1 3.56Å; W318-H352 AromaticContact CE2-CE1 3.53Å; W318-H352 AromaticContact CE3-CE1 3.57Å; W318-H352 AromaticContact CE3-NE2 3.61Å; W318-H352 AromaticContact CH2-CE1 3.55Å; W318-H352 AromaticContact CH2-NE2 3.58Å; W318-H352 AromaticContact CZ2-CE1 3.55Å; W318-H352 AromaticContact CZ3-CE1 3.57Å; W318-H352 AromaticContact CZ3-NE2 3.33Å; W318-H352 VanDerWaalsContact CZ3-NE2 3.33Å; W318-H352 WeakPolarHBondContact CZ3-NE2 3.35Å; H352-Y354 HydrophobicContact CB-CD2 4.42Å; H352-Y354 HydrophobicContact CB-CE2 4.07Å; H352-Y354 AromaticContact ND1-CZ 3.83Å; H352-Y354 PolarHBondContact ND1-OH 3.29Å; H352-F356 HydrophobicContact CB-CE2 3.77Å; H352-F356 HydrophobicContact CB-CZ 4.19Å; H352-F356 AromaticContact CG-CZ 4Å
353	P	57.2	Low	79.3	Confident	38 Å²	38	56.1 Å²	56.1	25%	0.247	33%	0.325	C	S	.	.			trans	-78.2	-18.9	177.7	27.6	-33.4	0	0	0	114.9	R88 K90	R88-P353 WeakPolarHBondContact O-CB 3.34Å; K90-P353 HydrophobicContact CG-CB 3.88Å
354	Y	72.2	Confident	78.7	Confident	59 Å²	59	57.6 Å²	57.6	23%	0.231	33%	0.332	C	S	.	.	S	Bend	trans	-102.4	160.6	-169	44.8	-105.5	0	0	0	113.1	R188 V317 W318 H352 F356	R188-Y354 VanDerWaalsContact NH2-CD2 3.29Å; V317-Y354 HydrophobicContact CG1-CD2 4.21Å; V317-Y354 HydrophobicContact CG1-CE2 4.11Å; W318-Y354 HydrophobicContact CB-CE2 4.23Å; H352-Y354 HydrophobicContact CB-CD2 4.42Å; H352-Y354 HydrophobicContact CB-CE2 4.07Å; H352-Y354 AromaticContact ND1-CZ 3.83Å; H352-Y354 PolarHBondContact ND1-OH 3.29Å; Y354-F356 HydrophobicContact CD2-CD2 4.4Å; Y354-F356 AromaticContact CD2-CE2 3.72Å; Y354-F356 HydrophobicContact CD2-CE2 3.72Å; Y354-F356 AromaticContact CD2-CZ 3.98Å; Y354-F356 HydrophobicContact CD2-CZ 3.98Å; Y354-F356 HydrophobicContact CE2-CE1 4.31Å; Y354-F356 AromaticContact CE2-CE2 3.68Å; Y354-F356 HydrophobicContact CE2-CE2 3.68Å; Y354-F356 AromaticContact CE2-CZ 3.47Å; Y354-F356 HydrophobicContact CE2-CZ 3.47Å; Y354-F356 VanDerWaalsContact CE2-CZ 3.47Å; Y354-F356 WeakPolarHBondContact O-CD2 3.49Å
355	T	63.3	Low	78.1	Confident	102 Å²	102	58 Å²	58	63%	0.626	34%	0.336	S	S	*	.			trans	-72.6	154.6	-176.2	57.8	0	0	0	0	111.8	R188	R188-T355 PolarHBondContact NH1-O 2.69Å; R188-T355 PolarHBondContact NH1-OG1 3.19Å; R188-T355 PolarHBondContact NH2-O 2.71Å
356	F	70.5	Confident	78	Confident	28 Å²	28	61 Å²	61	12%	0.123	35%	0.347	C	S	.	.			trans	-127.8	112.1	171.2	-72.1	-101.1	0	0	0	107.5	V317 W318 H352 Y354 G358 G359 V363	V317-F356 HydrophobicContact CB-CD1 4.13Å; V317-F356 HydrophobicContact CB-CE1 4.24Å; V317-F356 HydrophobicContact CG1-CD1 3.8Å; V317-F356 HydrophobicContact CG1-CE1 3.7Å; V317-F356 HydrophobicContact CG1-CG 4.47Å; V317-F356 HydrophobicContact CG1-CZ 4.29Å; W318-F356 HydrophobicContact CB-CE1 4.09Å; W318-F356 HydrophobicContact CB-CZ 4.28Å; W318-F356 HydrophobicContact CE3-CZ 4.46Å; H352-F356 HydrophobicContact CB-CE2 3.77Å; H352-F356 HydrophobicContact CB-CZ 4.19Å; H352-F356 AromaticContact CG-CZ 4Å; Y354-F356 HydrophobicContact CD2-CD2 4.4Å; Y354-F356 AromaticContact CD2-CE2 3.72Å; Y354-F356 HydrophobicContact CD2-CE2 3.72Å; Y354-F356 AromaticContact CD2-CZ 3.98Å; Y354-F356 HydrophobicContact CD2-CZ 3.98Å; Y354-F356 HydrophobicContact CE2-CE1 4.31Å; Y354-F356 AromaticContact CE2-CE2 3.68Å; Y354-F356 HydrophobicContact CE2-CE2 3.68Å; Y354-F356 AromaticContact CE2-CZ 3.47Å; Y354-F356 HydrophobicContact CE2-CZ 3.47Å; Y354-F356 VanDerWaalsContact CE2-CZ 3.47Å; Y354-F356 WeakPolarHBondContact O-CD2 3.49Å; F356-G358 PolarHBondContact O-N 3.48Å; F356-G358 VanDerWaalsContact O-N 3.1Å; F356-G359 PolarHBondContact O-N 2.94Å; F356-V363 HydrophobicContact CB-CG2 4.25Å; F356-V363 HydrophobicContact CD1-CB 3.99Å; F356-V363 HydrophobicContact CD1-CG1 4.06Å; F356-V363 HydrophobicContact CD1-CG2 4.28Å
357	P	62.1	Low	77.9	Confident	98 Å²	98	60 Å²	60	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	116.8	174	-23	33.8	0	0	0	109.9	V363	P357-V363 VanDerWaalsContact O-CG2 3.29Å; P357-V363 WeakPolarHBondContact O-CG2 3.4Å
358	G	62.4	Low	77.8	Confident	65 Å²	65	60 Å²	60	67%	0.67	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	6.1	-175.2	0	0	0	0	0	116	F356 T362	F356-G358 PolarHBondContact O-N 3.48Å; F356-G358 VanDerWaalsContact O-N 3.1Å; G358-T362 VanDerWaalsContact O-CB 3.31Å; G358-T362 WeakPolarHBondContact O-CB 3.3Å; G358-T362 PolarHBondContact O-OG1 2.84Å
359	G	73.3	Confident	78.2	Confident	34 Å²	34	57.7 Å²	57.7	35%	0.351	33%	0.331	S	S	.	.			trans	89.3	146.7	177.6	0	0	0	0	0	113.9	F356 G361 T362 V363	F356-G359 PolarHBondContact O-N 2.94Å; G359-G361 VanDerWaalsContact C-N 3.32Å; G359-G361 PolarHBondContact O-N 3.2Å; G359-T362 PolarHBondContact O-N 3.4Å; G359-V363 PolarHBondContact O-N 2.97Å; G359-V363 VanDerWaalsContact O-N 3.14Å
360	S	75.3	Confident	78.8	Confident	67 Å²	67	55.2 Å²	55.2	47%	0.469	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-39.3	-175.3	55	0	0	0	0	112.8	T362 V363 F364	S360-T362 PolarHBondContact O-N 3.38Å; S360-V363 PolarHBondContact O-N 2.87Å; S360-F364 WeakPolarHBondContact O-CB 3.2Å; S360-F364 PolarHBondContact O-N 3.39Å
361	G	75.1	Confident	80	Confident	52 Å²	52	46.3 Å²	46.3	54%	0.536	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-42.9	177.7	0	0	0	0	0	113.3	G359 A365	G359-G361 VanDerWaalsContact C-N 3.32Å; G359-G361 PolarHBondContact O-N 3.2Å; G361-A365 VanDerWaalsContact O-CB 3.25Å; G361-A365 WeakPolarHBondContact O-CB 3.27Å; G361-A365 PolarHBondContact O-N 3.28Å
362	T	84	Confident	81.3	Confident	72 Å²	72	40.1 Å²	40.1	44%	0.442	26%	0.255	S	S	.	.	H	α-helix	trans	-68.9	-43.9	179.4	-48.6	0	0	0	0	111.5	G358 G359 S360 A365 R366 V393	G358-T362 VanDerWaalsContact O-CB 3.31Å; G358-T362 WeakPolarHBondContact O-CB 3.3Å; G358-T362 PolarHBondContact O-OG1 2.84Å; G359-T362 PolarHBondContact O-N 3.4Å; S360-T362 PolarHBondContact O-N 3.38Å; T362-A365 PolarHBondContact O-N 3.1Å; T362-R366 WeakPolarHBondContact O-CB 3.45Å; T362-R366 PolarHBondContact O-N 3.32Å; T362-V393 HydrophobicContact CG2-CG1 3.97Å
363	V	87	Confident	82.6	Confident	10 Å²	10	38.1 Å²	38.1	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-45.4	178.1	174.6	0	0	0	0	110.8	D316 V317 F356 P357 G359 S360 R366 N367	D316-V363 HydrophobicContact CB-CG1 4.22Å; D316-V363 VanDerWaalsContact O-CG1 3.23Å; D316-V363 WeakPolarHBondContact O-CG1 3.4Å; V317-V363 HydrophobicContact CB-CG1 4.27Å; F356-V363 HydrophobicContact CB-CG2 4.25Å; F356-V363 HydrophobicContact CD1-CB 3.99Å; F356-V363 HydrophobicContact CD1-CG1 4.06Å; F356-V363 HydrophobicContact CD1-CG2 4.28Å; P357-V363 VanDerWaalsContact O-CG2 3.29Å; P357-V363 WeakPolarHBondContact O-CG2 3.4Å; G359-V363 PolarHBondContact O-N 2.97Å; G359-V363 VanDerWaalsContact O-N 3.14Å; S360-V363 PolarHBondContact O-N 2.87Å; V363-R366 WeakPolarHBondContact O-CB 3.39Å; V363-R366 PolarHBondContact O-N 3.38Å; V363-N367 PolarHBondContact O-N 2.88Å
364	F	85.6	Confident	84.6	Confident	47 Å²	47	36.5 Å²	36.5	21%	0.206	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-49.9	175	-176.5	-100.8	0	0	0	111	V266 W318 S360 R366 N367 T368	V266-F364 HydrophobicContact CG2-CE1 4.06Å; V266-F364 HydrophobicContact CG2-CZ 4.01Å; W318-F364 HydrophobicContact CZ3-CD2 4.08Å; W318-F364 HydrophobicContact CZ3-CE2 4.4Å; S360-F364 WeakPolarHBondContact O-CB 3.2Å; S360-F364 PolarHBondContact O-N 3.39Å; F364-R366 VanDerWaalsContact C-N 3.32Å; F364-R366 PolarHBondContact O-N 3.35Å; F364-N367 PolarHBondContact O-N 3.13Å; F364-T368 VanDerWaalsContact O-CB 3.27Å; F364-T368 WeakPolarHBondContact O-CB 3.31Å; F364-T368 PolarHBondContact O-N 2.9Å; F364-T368 PolarHBondContact O-OG1 3.35Å
365	A	88.1	Confident	85.8	Confident	9 Å²	9	33.7 Å²	33.7	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-41.4	177.7	0	0	0	0	0	112.2	G361 T362 R369 A390 V393	G361-A365 VanDerWaalsContact O-CB 3.25Å; G361-A365 WeakPolarHBondContact O-CB 3.27Å; G361-A365 PolarHBondContact O-N 3.28Å; T362-A365 PolarHBondContact O-N 3.1Å; A365-R369 WeakPolarHBondContact O-CB 3.33Å; A365-R369 WeakPolarHBondContact O-CG 3.47Å; A365-R369 PolarHBondContact O-N 3.36Å; A365-A390 HydrophobicContact CB-CB 4.26Å; A365-V393 HydrophobicContact CB-CB 4.41Å; A365-V393 HydrophobicContact CB-CG1 4.35Å; A365-V393 HydrophobicContact CB-CG2 4.05Å
366	R	95.2	Very high	87.5	Confident	62 Å²	62	28.9 Å²	28.9	23%	0.234	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-54.3	175.2	165.1	174.1	172.6	103.8	-3.7	111.4	D316 T362 V363 F364 R369 R370 V393 P394	D316-R366 IonicContact OD2-CZ 3.16Å; D316-R366 IonicContact OD2-NE 2.89Å; D316-R366 PolarHBondContact OD2-NE 3.08Å; D316-R366 IonicContact OD2-NH2 2.72Å; D316-R366 PolarHBondContact OD2-NH2 2.73Å; T362-R366 WeakPolarHBondContact O-CB 3.45Å; T362-R366 PolarHBondContact O-N 3.32Å; V363-R366 WeakPolarHBondContact O-CB 3.39Å; V363-R366 PolarHBondContact O-N 3.38Å; F364-R366 VanDerWaalsContact C-N 3.32Å; F364-R366 PolarHBondContact O-N 3.35Å; R366-R369 PolarHBondContact O-N 2.81Å; R366-R370 WeakPolarHBondContact O-CG 3.4Å; R366-R370 PolarHBondContact O-N 3.08Å; R366-R370 VanDerWaalsContact O-N 3.1Å; R366-V393 HydrophobicContact CB-CG1 4Å; R366-P394 PolarHBondContact NH1-O 2.94Å
367	N	96.8	Very high	88.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-44.5	-178.3	-65.1	-12.2	0	0	0	111.5	M315 D316 W318 G319 V363 F364 R369 R370 A371	M315-N367 WeakPolarHBondContact CA-OD1 3.35Å; M315-N367 HydrophobicContact CB-CB 4.48Å; M315-N367 WeakPolarHBondContact CE-O 3.13Å; M315-N367 HydrophobicContact CG-CB 4.15Å; M315-N367 HydrophobicContact SD-CB 4.35Å; D316-N367 PolarHBondContact N-ND2 2.9Å; D316-N367 PolarHBondContact N-OD1 3.08Å; D316-N367 PolarHBondContact O-ND2 3.17Å; W318-N367 PolarHBondContact O-ND2 3.05Å; G319-N367 WeakPolarHBondContact O-CB 3.39Å; G319-N367 PolarHBondContact O-ND2 3.47Å; V363-N367 PolarHBondContact O-N 2.88Å; F364-N367 PolarHBondContact O-N 3.13Å; N367-R369 VanDerWaalsContact C-N 3.3Å; N367-R369 PolarHBondContact O-N 2.81Å; N367-R370 WeakPolarHBondContact O-CB 3.29Å; N367-R370 PolarHBondContact O-N 2.82Å; N367-R370 VanDerWaalsContact O-N 3.08Å; N367-A371 PolarHBondContact O-N 2.72Å; N367-A371 VanDerWaalsContact O-N 3.08Å
368	T	96.1	Very high	90.4	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-38.6	177.3	-62.9	0	0	0	0	111.7	L265 L323 F364 A371 A372 Y383	L265-T368 HydrophobicContact CB-CG2 3.57Å; L265-T368 HydrophobicContact CD1-CG2 3.51Å; L265-T368 HydrophobicContact CG-CG2 4.15Å; L323-T368 HydrophobicContact CD1-CG2 4.25Å; F364-T368 VanDerWaalsContact O-CB 3.27Å; F364-T368 WeakPolarHBondContact O-CB 3.31Å; F364-T368 PolarHBondContact O-N 2.9Å; F364-T368 PolarHBondContact O-OG1 3.35Å; T368-A371 PolarHBondContact O-N 2.71Å; T368-A372 WeakPolarHBondContact O-CB 3.22Å; T368-A372 PolarHBondContact O-N 2.98Å; T368-Y383 HydrophobicContact CG2-CD2 4.32Å; T368-Y383 HydrophobicContact CG2-CE1 4.17Å; T368-Y383 HydrophobicContact CG2-CE2 3.64Å
369	R	97.1	Very high	92.1	Very high	26 Å²	26	31.1 Å²	31.1	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-42.1	171.9	-78.4	-170.4	84	170.3	10.5	112.8	A365 R366 N367 A371 A372 E373 Y383 Y384 A390 R391 V393 Y395	A365-R369 WeakPolarHBondContact O-CB 3.33Å; A365-R369 WeakPolarHBondContact O-CG 3.47Å; A365-R369 PolarHBondContact O-N 3.36Å; R366-R369 PolarHBondContact O-N 2.81Å; N367-R369 VanDerWaalsContact C-N 3.3Å; N367-R369 PolarHBondContact O-N 2.81Å; R369-A371 PolarHBondContact O-N 3.2Å; R369-A372 PolarHBondContact O-N 3.49Å; R369-E373 IonicContact NH2-OE1 2.79Å; R369-E373 VanDerWaalsContact O-CB 3.3Å; R369-E373 WeakPolarHBondContact O-CB 3.41Å; R369-E373 VanDerWaalsContact O-CG 3.27Å; R369-E373 WeakPolarHBondContact O-CG 3.46Å; R369-E373 PolarHBondContact O-N 3.1Å; R369-Y383 HydrophobicContact CG-CE1 3.99Å; R369-Y384 HydrophobicContact CG-CE1 3.98Å; R369-Y384 PolarHBondContact NE-OH 2.92Å; R369-Y384 PolarHBondContact NH2-OH 3.14Å; R369-A390 VanDerWaalsContact CD-O 3.22Å; R369-A390 WeakPolarHBondContact CD-O 3.07Å; R369-A390 PolarHBondContact NH1-O 2.97Å; R369-R391 PolarHBondContact NH1-O 2.95Å; R369-V393 WeakPolarHBondContact CD-O 3.3Å; R369-V393 PolarHBondContact NH1-O 3.44Å; R369-Y395 HydrophobicContact CB-CD1 4.19Å; R369-Y395 HydrophobicContact CB-CG 4.11Å; R369-Y395 VanDerWaalsContact CZ-CE1 3.45Å
370	R	98.5	Very high	93.1	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-40	176.1	-64.3	-179	64.2	73.9	8.8	111.2	D312 M315 R366 N367 V374 Y395 N397 I398	D312-R370 VanDerWaalsContact CG-NH2 3.26Å; D312-R370 IonicContact OD1-CZ 3.93Å; D312-R370 IonicContact OD1-NE 3.27Å; D312-R370 IonicContact OD1-NH2 2.71Å; D312-R370 PolarHBondContact OD1-NH2 3.26Å; D312-R370 IonicContact OD2-CZ 3.64Å; D312-R370 IonicContact OD2-NE 3.06Å; D312-R370 PolarHBondContact OD2-NE 2.93Å; D312-R370 IonicContact OD2-NH2 3.52Å; D312-R370 PolarHBondContact OD2-NH2 2.8Å; M315-R370 HydrophobicContact CE-CB 4.27Å; R366-R370 WeakPolarHBondContact O-CG 3.4Å; R366-R370 PolarHBondContact O-N 3.08Å; R366-R370 VanDerWaalsContact O-N 3.1Å; N367-R370 WeakPolarHBondContact O-CB 3.29Å; N367-R370 PolarHBondContact O-N 2.82Å; N367-R370 VanDerWaalsContact O-N 3.08Å; R370-V374 VanDerWaalsContact O-CG2 3.24Å; R370-V374 WeakPolarHBondContact O-CG2 3.46Å; R370-Y395 HydrophobicContact CG-CD2 4.46Å; R370-Y395 WeakPolarHBondContact CG-O 3.35Å; R370-Y395 PolarHBondContact NH1-O 2.79Å; R370-N397 PolarHBondContact NH1-O 3.13Å; R370-N397 PolarHBondContact NH2-O 3.22Å; R370-I398 HydrophobicContact CB-CG2 4.47Å; R370-I398 HydrophobicContact CG-CG2 4.33Å
371	A	98.5	Very high	93.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-51.2	173.3	0	0	0	0	0	111.8	M315 L323 E324 N367 T368 R369 E373 V374 W375	M315-A371 HydrophobicContact CE-CB 4.28Å; L323-A371 HydrophobicContact CB-CB 4.42Å; E324-A371 HydrophobicContact CB-CB 3.99Å; E324-A371 HydrophobicContact CG-CB 4.41Å; N367-A371 PolarHBondContact O-N 2.72Å; N367-A371 VanDerWaalsContact O-N 3.08Å; T368-A371 PolarHBondContact O-N 2.71Å; R369-A371 PolarHBondContact O-N 3.2Å; A371-E373 PolarHBondContact O-N 2.82Å; A371-V374 PolarHBondContact O-N 3.45Å; A371-W375 WeakPolarHBondContact O-CB 3.5Å; A371-W375 VanDerWaalsContact O-CD1 3.26Å; A371-W375 PolarHBondContact O-N 2.95Å
372	A	98.2	Very high	94.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-46.3	-176.3	0	0	0	0	0	113	L265 T368 R369 V374 W375 M376 K380 Y383	L265-A372 HydrophobicContact CD1-CB 4.09Å; T368-A372 WeakPolarHBondContact O-CB 3.22Å; T368-A372 PolarHBondContact O-N 2.98Å; R369-A372 PolarHBondContact O-N 3.49Å; A372-V374 VanDerWaalsContact C-N 3.26Å; A372-V374 PolarHBondContact O-N 3.46Å; A372-W375 PolarHBondContact O-N 2.88Å; A372-M376 HydrophobicContact CB-CG 4.4Å; A372-M376 HydrophobicContact CB-SD 3.63Å; A372-M376 WeakPolarHBondContact O-CB 3.28Å; A372-M376 PolarHBondContact O-N 3.22Å; A372-K380 HydrophobicContact CB-CB 4.14Å; A372-Y383 HydrophobicContact CB-CD1 4.21Å
373	E	98.4	Very high	94.8	Very high	31 Å²	31	27.6 Å²	27.6	15%	0.145	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-26.4	-178	-70.5	-66.3	164.6	0	0	113.4	R369 A371 K380 Y384 Y395 I398	R369-E373 IonicContact NH2-OE1 2.79Å; R369-E373 VanDerWaalsContact O-CB 3.3Å; R369-E373 WeakPolarHBondContact O-CB 3.41Å; R369-E373 VanDerWaalsContact O-CG 3.27Å; R369-E373 WeakPolarHBondContact O-CG 3.46Å; R369-E373 PolarHBondContact O-N 3.1Å; A371-E373 PolarHBondContact O-N 2.82Å; E373-K380 WeakPolarHBondContact OE2-CD 3.45Å; E373-K380 WeakPolarHBondContact OE2-CE 3.39Å; E373-K380 IonicContact OE2-NZ 3Å; E373-K380 PolarHBondContact OE2-NZ 3.39Å; E373-Y384 WeakPolarHBondContact OE1-CE2 3.46Å; E373-Y384 PolarHBondContact OE1-OH 3.37Å; E373-Y395 HydrophobicContact CB-CE2 4.37Å; E373-Y395 HydrophobicContact CG-CE1 4.31Å; E373-Y395 HydrophobicContact CG-CE2 4.04Å; E373-I398 HydrophobicContact CB-CD1 3.59Å
374	V	98.7	Very high	94.9	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-89.3	-43.2	177.7	176.2	0	0	0	0	111.2	R370 A371 A372 I398 R401 L402 K405	R370-V374 VanDerWaalsContact O-CG2 3.24Å; R370-V374 WeakPolarHBondContact O-CG2 3.46Å; A371-V374 PolarHBondContact O-N 3.45Å; A372-V374 VanDerWaalsContact C-N 3.26Å; A372-V374 PolarHBondContact O-N 3.46Å; V374-I398 HydrophobicContact CG2-CB 3.94Å; V374-I398 HydrophobicContact CG2-CD1 3.99Å; V374-I398 HydrophobicContact CG2-CG1 4.49Å; V374-I398 HydrophobicContact CG2-CG2 4.34Å; V374-R401 HydrophobicContact CB-CB 4.49Å; V374-R401 HydrophobicContact CG1-CB 3.95Å; V374-R401 HydrophobicContact CG2-CB 3.7Å; V374-L402 HydrophobicContact CB-CD2 4.47Å; V374-L402 HydrophobicContact CG1-CD2 4.39Å; V374-L402 HydrophobicContact CG2-CD2 4.35Å; V374-K405 HydrophobicContact CG1-CD 4.43Å; V374-K405 WeakPolarHBondContact O-CD 3.22Å; V374-K405 PolarHBondContact O-NZ 3.22Å
375	W	98.8	Very high	94.6	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-106.3	-23.1	-162.5	-64.3	104.3	0	0	0	115.1	E324 F327 R328 Q331 C332 A371 A372 K405 C410 F413	E324-W375 PolarHBondContact OE1-NE1 3.41Å; F327-W375 HydrophobicContact CB-CB 3.93Å; F327-W375 HydrophobicContact CB-CD2 4.4Å; F327-W375 HydrophobicContact CB-CG 4.06Å; F327-W375 HydrophobicContact CD2-CB 3.92Å; F327-W375 HydrophobicContact CG-CB 4.35Å; R328-W375 HydrophobicContact CB-CD2 4.36Å; R328-W375 HydrophobicContact CB-CE3 4.35Å; R328-W375 HydrophobicContact CB-CH2 3.52Å; R328-W375 HydrophobicContact CB-CZ2 3.51Å; R328-W375 HydrophobicContact CB-CZ3 3.94Å; R328-W375 VanDerWaalsContact CD-CZ2 3.47Å; R328-W375 HydrophobicContact CG-CH2 3.43Å; R328-W375 VanDerWaalsContact CG-CH2 3.43Å; R328-W375 HydrophobicContact CG-CZ2 3.66Å; R328-W375 HydrophobicContact CG-CZ3 4.16Å; Q331-W375 HydrophobicContact CB-CZ3 4.48Å; Q331-W375 PolarHBondContact NE2-O 2.98Å; Q331-W375 PolarHBondContact OE1-O 3.02Å; C332-W375 VanDerWaalsContact SG-CZ3 3.56Å; A371-W375 WeakPolarHBondContact O-CB 3.5Å; A371-W375 VanDerWaalsContact O-CD1 3.26Å; A371-W375 PolarHBondContact O-N 2.95Å; A372-W375 PolarHBondContact O-N 2.88Å; W375-K405 HydrophobicContact CE3-CD 4.08Å; W375-K405 HydrophobicContact CE3-CG 4.48Å; W375-K405 HydrophobicContact CH2-CB 4.19Å; W375-K405 HydrophobicContact CH2-CG 4.37Å; W375-K405 HydrophobicContact CZ3-CB 4.33Å; W375-K405 HydrophobicContact CZ3-CD 4.11Å; W375-K405 HydrophobicContact CZ3-CG 4Å; W375-C410 HydrophobicContact CZ3-CB 4.33Å; W375-F413 WeakPolarHBondContact O-CB 3.39Å; W375-F413 VanDerWaalsContact O-CD2 3.27Å; W375-F413 WeakPolarHBondContact O-CD2 3.18Å
376	M	98.5	Very high	94	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.			trans	-97.9	-0.7	-168	-64.9	178.2	66.2	0	0	115.3	W263 L265 F327 A372 E378 Y379 K380 F413	W263-M376 HydrophobicContact CE3-CE 4.18Å; W263-M376 HydrophobicContact CZ3-CE 3.82Å; L265-M376 HydrophobicContact CD1-CE 4.24Å; L265-M376 HydrophobicContact CD1-SD 3.54Å; L265-M376 VanDerWaalsContact CD1-SD 3.54Å; L265-M376 HydrophobicContact CD2-CE 3.89Å; L265-M376 HydrophobicContact CD2-SD 3.95Å; L265-M376 HydrophobicContact CG-SD 4.39Å; F327-M376 HydrophobicContact CD2-CG 4.49Å; F327-M376 HydrophobicContact CE2-CG 4.06Å; F327-M376 HydrophobicContact CE2-SD 4.17Å; A372-M376 HydrophobicContact CB-CG 4.4Å; A372-M376 HydrophobicContact CB-SD 3.63Å; A372-M376 WeakPolarHBondContact O-CB 3.28Å; A372-M376 PolarHBondContact O-N 3.22Å; M376-E378 PolarHBondContact O-N 3.03Å; M376-Y379 VanDerWaalsContact O-CB 3.32Å; M376-Y379 WeakPolarHBondContact O-CB 3.41Å; M376-Y379 PolarHBondContact O-N 3.33Å; M376-K380 HydrophobicContact CB-CB 4.15Å; M376-F413 HydrophobicContact CB-CD1 4.29Å; M376-F413 HydrophobicContact CB-CD2 4.38Å; M376-F413 HydrophobicContact CB-CE1 4.41Å; M376-F413 HydrophobicContact CB-CG 4.26Å; M376-F413 HydrophobicContact CE-CE1 4.07Å; M376-F413 HydrophobicContact CE-CZ 4.13Å; M376-F413 HydrophobicContact CG-CD1 4.46Å; M376-F413 HydrophobicContact CG-CD2 4.1Å; M376-F413 HydrophobicContact CG-CE1 4.17Å; M376-F413 HydrophobicContact CG-CE2 3.8Å; M376-F413 HydrophobicContact CG-CG 4.41Å; M376-F413 HydrophobicContact CG-CZ 3.83Å
377	D	97.9	Very high	93.3	Very high	55 Å²	55	24.9 Å²	24.9	29%	0.294	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	49.3	-130.1	-177.9	-49.6	-31.8	0	0	0	110.5	Y379 K380 K405 P412 F413	D377-Y379 VanDerWaalsContact C-N 3.29Å; D377-Y379 PolarHBondContact O-N 3.18Å; D377-K380 VanDerWaalsContact O-CD 3.23Å; D377-K380 WeakPolarHBondContact O-CD 3.46Å; D377-K380 WeakPolarHBondContact O-CE 3.11Å; D377-K380 WeakPolarHBondContact O-CG 3.47Å; D377-K405 IonicContact OD1-NZ 2.79Å; D377-K405 PolarHBondContact OD1-NZ 2.05Å; D377-P412 WeakPolarHBondContact OD2-CA 3.2Å; D377-F413 HydrophobicContact CB-CB 4.49Å; D377-F413 PolarHBondContact OD2-N 3.33Å
378	E	96.2	Very high	92.5	Very high	136 Å²	136	28 Å²	28	64%	0.636	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-72.1	-17	177.6	-63.6	-54.7	135.5	0	0	114.2	M376 K380 N381	M376-E378 PolarHBondContact O-N 3.03Å; E378-K380 PolarHBondContact O-N 3.33Å; E378-N381 WeakPolarHBondContact O-CB 3.4Å; E378-N381 PolarHBondContact O-N 3.33Å; E378-N381 PolarHBondContact O-ND2 3.23Å; E378-N381 PolarHBondContact OE2-ND2 3.27Å
379	Y	96.3	Very high	91.7	Very high	47 Å²	47	32.2 Å²	32.2	18%	0.184	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-71.6	-14.1	-178.5	-63.3	-94.8	0	0	0	112.8	W263 M376 D377 N381 F382 F413 K414 L417 V426	W263-Y379 AromaticContact CH2-CD1 4Å; W263-Y379 HydrophobicContact CH2-CD1 4Å; M376-Y379 VanDerWaalsContact O-CB 3.32Å; M376-Y379 WeakPolarHBondContact O-CB 3.41Å; M376-Y379 PolarHBondContact O-N 3.33Å; D377-Y379 VanDerWaalsContact C-N 3.29Å; D377-Y379 PolarHBondContact O-N 3.18Å; Y379-N381 PolarHBondContact O-N 3.24Å; Y379-N381 VanDerWaalsContact O-N 3.13Å; Y379-F382 AromaticContact CD1-CD2 3.91Å; Y379-F382 HydrophobicContact CD1-CD2 3.91Å; Y379-F382 AromaticContact CD1-CE2 3.66Å; Y379-F382 HydrophobicContact CD1-CE2 3.66Å; Y379-F382 HydrophobicContact CE1-CE2 4.28Å; Y379-F382 HydrophobicContact CG-CD2 4.49Å; Y379-F382 HydrophobicContact CG-CE2 4.48Å; Y379-F382 WeakPolarHBondContact O-CB 3.45Å; Y379-F382 PolarHBondContact O-N 3.24Å; Y379-F413 HydrophobicContact CD2-CB 4.2Å; Y379-F413 AromaticContact CD2-CD1 3.71Å; Y379-F413 HydrophobicContact CD2-CD1 3.71Å; Y379-F413 HydrophobicContact CD2-CG 4.44Å; Y379-F413 AromaticContact CG-CD1 3.74Å; Y379-F413 HydrophobicContact CG-CD1 3.74Å; Y379-F413 HydrophobicContact CG-CE1 4.31Å; Y379-K414 HydrophobicContact CE2-CB 3.93Å; Y379-K414 WeakPolarHBondContact OH-CG 3.21Å; Y379-L417 HydrophobicContact CD1-CD1 3.39Å; Y379-L417 HydrophobicContact CD2-CD1 4.29Å; Y379-L417 HydrophobicContact CE1-CD1 3.29Å; Y379-L417 HydrophobicContact CE2-CD1 4.2Å; Y379-L417 HydrophobicContact CG-CD1 3.91Å; Y379-V426 HydrophobicContact CD1-CG1 4.26Å; Y379-V426 HydrophobicContact CE1-CG1 3.89Å; Y379-V426 HydrophobicContact CE1-CG2 4.33Å
380	K	95.8	Very high	91.2	Very high	45 Å²	45	31 Å²	31	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-56.5	-25	170.5	70.3	-168.6	173.3	-177.7	0	112.6	A372 E373 M376 D377 E378 F382 Y383 Y384	A372-K380 HydrophobicContact CB-CB 4.14Å; E373-K380 WeakPolarHBondContact OE2-CD 3.45Å; E373-K380 WeakPolarHBondContact OE2-CE 3.39Å; E373-K380 IonicContact OE2-NZ 3Å; E373-K380 PolarHBondContact OE2-NZ 3.39Å; M376-K380 HydrophobicContact CB-CB 4.15Å; D377-K380 VanDerWaalsContact O-CD 3.23Å; D377-K380 WeakPolarHBondContact O-CD 3.46Å; D377-K380 WeakPolarHBondContact O-CE 3.11Å; D377-K380 WeakPolarHBondContact O-CG 3.47Å; E378-K380 PolarHBondContact O-N 3.33Å; K380-F382 PolarHBondContact O-N 3.41Å; K380-Y383 WeakPolarHBondContact O-CB 3.43Å; K380-Y383 PolarHBondContact O-N 2.93Å; K380-Y383 VanDerWaalsContact O-N 3.09Å; K380-Y384 HydrophobicContact CB-CE2 4.23Å; K380-Y384 HydrophobicContact CD-CE2 4.4Å; K380-Y384 HydrophobicContact CG-CD2 4.44Å; K380-Y384 HydrophobicContact CG-CE2 4.07Å; K380-Y384 WeakPolarHBondContact O-CD2 3.5Å; K380-Y384 PolarHBondContact O-N 2.98Å
381	N	91.9	Very high	90.8	Very high	77 Å²	77	35 Å²	35	41%	0.412	18%	0.183	S	C	.	.	H	α-helix	trans	-63.6	-31.5	177	-65.3	-40.3	0	0	0	112.1	E378 Y379 Y384 A385	E378-N381 WeakPolarHBondContact O-CB 3.4Å; E378-N381 PolarHBondContact O-N 3.33Å; E378-N381 PolarHBondContact O-ND2 3.23Å; E378-N381 PolarHBondContact OE2-ND2 3.27Å; Y379-N381 PolarHBondContact O-N 3.24Å; Y379-N381 VanDerWaalsContact O-N 3.13Å; N381-Y384 PolarHBondContact O-N 3.04Å; N381-A385 WeakPolarHBondContact O-CB 3.39Å; N381-A385 PolarHBondContact O-N 3.02Å
382	F	88.6	Confident	90.4	Very high	28 Å²	28	41.8 Å²	41.8	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-68.6	-36.1	173	-60.9	-55.5	0	0	0	112.1	W263 Y379 K380 A385 A386 V426 P427 L554 L556	W263-F382 HydrophobicContact CB-CB 4.42Å; W263-F382 HydrophobicContact CD2-CB 3.67Å; W263-F382 HydrophobicContact CD2-CG 4.37Å; W263-F382 HydrophobicContact CE3-CB 3.54Å; W263-F382 HydrophobicContact CE3-CD2 4.34Å; W263-F382 HydrophobicContact CE3-CG 4.36Å; W263-F382 HydrophobicContact CG-CB 4.06Å; W263-F382 HydrophobicContact CH2-CD2 4.01Å; W263-F382 HydrophobicContact CZ2-CD2 4.25Å; W263-F382 HydrophobicContact CZ3-CB 4.08Å; W263-F382 HydrophobicContact CZ3-CD2 4.06Å; Y379-F382 AromaticContact CD1-CD2 3.91Å; Y379-F382 HydrophobicContact CD1-CD2 3.91Å; Y379-F382 AromaticContact CD1-CE2 3.66Å; Y379-F382 HydrophobicContact CD1-CE2 3.66Å; Y379-F382 HydrophobicContact CE1-CE2 4.28Å; Y379-F382 HydrophobicContact CG-CD2 4.49Å; Y379-F382 HydrophobicContact CG-CE2 4.48Å; Y379-F382 WeakPolarHBondContact O-CB 3.45Å; Y379-F382 PolarHBondContact O-N 3.24Å; K380-F382 PolarHBondContact O-N 3.41Å; F382-A385 PolarHBondContact O-N 2.8Å; F382-A386 WeakPolarHBondContact O-CB 3.46Å; F382-A386 PolarHBondContact O-N 3.37Å; F382-V426 HydrophobicContact CE2-CG1 3.7Å; F382-V426 HydrophobicContact CZ-CG1 3.97Å; F382-P427 HydrophobicContact CD1-CB 4.24Å; F382-P427 HydrophobicContact CD1-CG 3.68Å; F382-P427 HydrophobicContact CE1-CB 3.78Å; F382-P427 HydrophobicContact CE1-CG 3.7Å; F382-P427 HydrophobicContact CG-CG 4.36Å; F382-P427 HydrophobicContact CZ-CB 4.41Å; F382-P427 HydrophobicContact CZ-CG 4.39Å; F382-L554 HydrophobicContact CB-CD2 4.28Å; F382-L554 VanDerWaalsContact O-CD2 3.22Å; F382-L554 WeakPolarHBondContact O-CD2 3.36Å; F382-L556 HydrophobicContact CD1-CD2 3.68Å; F382-L556 HydrophobicContact CE1-CD2 3.99Å
383	Y	89.8	Confident	90.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-45.3	171.1	163.4	-112.9	0	0	0	112.1	W263 L265 T368 R369 A372 K380 A385 A386 V387 A390	W263-Y383 WeakPolarHBondContact O-CA 3.26Å; L265-Y383 HydrophobicContact CB-CD2 4.11Å; L265-Y383 HydrophobicContact CB-CE2 4.36Å; L265-Y383 HydrophobicContact CD1-CD1 4.11Å; L265-Y383 HydrophobicContact CD1-CD2 3.58Å; L265-Y383 HydrophobicContact CD1-CE2 4.15Å; L265-Y383 HydrophobicContact CD1-CG 3.54Å; L265-Y383 HydrophobicContact CG-CD2 3.62Å; L265-Y383 HydrophobicContact CG-CE2 4.31Å; L265-Y383 HydrophobicContact CG-CG 3.99Å; T368-Y383 HydrophobicContact CG2-CD2 4.32Å; T368-Y383 HydrophobicContact CG2-CE1 4.17Å; T368-Y383 HydrophobicContact CG2-CE2 3.64Å; R369-Y383 HydrophobicContact CG-CE1 3.99Å; A372-Y383 HydrophobicContact CB-CD1 4.21Å; K380-Y383 WeakPolarHBondContact O-CB 3.43Å; K380-Y383 PolarHBondContact O-N 2.93Å; K380-Y383 VanDerWaalsContact O-N 3.09Å; Y383-A385 VanDerWaalsContact C-N 3.29Å; Y383-A385 PolarHBondContact O-N 3.04Å; Y383-A386 PolarHBondContact O-N 3.2Å; Y383-V387 HydrophobicContact CD2-CB 4.37Å; Y383-V387 HydrophobicContact CD2-CG2 4.1Å; Y383-V387 HydrophobicContact CE2-CB 3.92Å; Y383-V387 HydrophobicContact CE2-CG2 3.78Å; Y383-V387 PolarHBondContact O-N 3.37Å; Y383-A390 HydrophobicContact CE1-CB 3.91Å; Y383-A390 VanDerWaalsContact OH-CB 3.3Å; Y383-A390 WeakPolarHBondContact OH-CB 3.49Å
384	Y	87.3	Confident	89.9	Confident	10 Å²	10	46.3 Å²	46.3	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-29.1	177	-64.6	-53	0	0	0	113.5	R369 E373 K380 N381 V387 P388 A390 R391	R369-Y384 HydrophobicContact CG-CE1 3.98Å; R369-Y384 PolarHBondContact NE-OH 2.92Å; R369-Y384 PolarHBondContact NH2-OH 3.14Å; E373-Y384 WeakPolarHBondContact OE1-CE2 3.46Å; E373-Y384 PolarHBondContact OE1-OH 3.37Å; K380-Y384 HydrophobicContact CB-CE2 4.23Å; K380-Y384 HydrophobicContact CD-CE2 4.4Å; K380-Y384 HydrophobicContact CG-CD2 4.44Å; K380-Y384 HydrophobicContact CG-CE2 4.07Å; K380-Y384 WeakPolarHBondContact O-CD2 3.5Å; K380-Y384 PolarHBondContact O-N 2.98Å; N381-Y384 PolarHBondContact O-N 3.04Å; Y384-V387 CarbonylContact O-C 3.54Å; Y384-P388 WeakPolarHBondContact O-CA 3.44Å; Y384-P388 VanDerWaalsContact O-N 3.16Å; Y384-A390 HydrophobicContact CD1-CB 4.32Å; Y384-A390 HydrophobicContact CE1-CB 4.36Å; Y384-R391 HydrophobicContact CD1-CG 3.66Å; Y384-R391 HydrophobicContact CE1-CG 4.41Å; Y384-R391 HydrophobicContact CG-CG 3.86Å; Y384-R391 PolarHBondContact O-NH1 2.85Å
385	A	81.3	Confident	89.8	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-36.8	170.9	0	0	0	0	0	112.8	N381 F382 Y383 L554 N555 L556	N381-A385 WeakPolarHBondContact O-CB 3.39Å; N381-A385 PolarHBondContact O-N 3.02Å; F382-A385 PolarHBondContact O-N 2.8Å; Y383-A385 VanDerWaalsContact C-N 3.29Å; Y383-A385 PolarHBondContact O-N 3.04Å; A385-L554 HydrophobicContact CB-CD2 4.2Å; A385-N555 VanDerWaalsContact CB-O 3.23Å; A385-N555 WeakPolarHBondContact CB-O 2.81Å; A385-L556 HydrophobicContact CB-CD2 3.79Å
386	A	74.9	Confident	89.7	Confident	23 Å²	23	50.7 Å²	50.7	19%	0.19	28%	0.28	C	S	.	.	H	α-helix	trans	-74.7	-36	175.9	0	0	0	0	0	112.7	W263 N264 F382 Y383 L554	W263-A386 HydrophobicContact CB-CB 4.22Å; N264-A386 HydrophobicContact CB-CB 4.38Å; F382-A386 WeakPolarHBondContact O-CB 3.46Å; F382-A386 PolarHBondContact O-N 3.37Å; Y383-A386 PolarHBondContact O-N 3.2Å; A386-L554 HydrophobicContact CB-CD2 3.89Å; A386-L554 HydrophobicContact CB-CG 3.83Å
387	V	79.9	Confident	89.7	Confident	34 Å²	34	55.7 Å²	55.7	21%	0.206	31%	0.307	C	S	.	.			trans	-128.7	72.4	-177.5	-166.4	0	0	0	0	110.1	N264 Y383 Y384 S389 A390	N264-V387 HydrophobicContact CB-CG2 3.92Å; Y383-V387 HydrophobicContact CD2-CB 4.37Å; Y383-V387 HydrophobicContact CD2-CG2 4.1Å; Y383-V387 HydrophobicContact CE2-CB 3.92Å; Y383-V387 HydrophobicContact CE2-CG2 3.78Å; Y383-V387 PolarHBondContact O-N 3.37Å; Y384-V387 CarbonylContact O-C 3.54Å; V387-S389 PolarHBondContact O-N 3.12Å; V387-S389 VanDerWaalsContact O-N 3.15Å; V387-A390 HydrophobicContact CB-CB 4.33Å; V387-A390 HydrophobicContact CG1-CB 4.01Å; V387-A390 VanDerWaalsContact O-CB 3.3Å; V387-A390 WeakPolarHBondContact O-CB 3.23Å; V387-A390 PolarHBondContact O-N 3.09Å
388	P	79	Confident	89.7	Confident	65 Å²	65	53.9 Å²	53.9	42%	0.422	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-58.8	-32.3	-175.7	-27.2	36.2	0	0	0	114.1	Y384 A390 R391	Y384-P388 WeakPolarHBondContact O-CA 3.44Å; Y384-P388 VanDerWaalsContact O-N 3.16Å; P388-A390 PolarHBondContact O-N 2.72Å; P388-R391 PolarHBondContact O-N 3.35Å
389	S	81	Confident	89.8	Confident	89 Å²	89	51.9 Å²	51.9	62%	0.622	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-60	-26.1	177.1	54.3	0	0	0	0	113.1	V387 R391	V387-S389 PolarHBondContact O-N 3.12Å; V387-S389 VanDerWaalsContact O-N 3.15Å; S389-R391 VanDerWaalsContact C-N 3.3Å; S389-R391 PolarHBondContact O-N 3.39Å
390	A	86.6	Confident	89.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-66.7	-29.2	179.5	0	0	0	0	0	112.6	A365 R369 Y383 Y384 V387 P388 N392 V393	A365-A390 HydrophobicContact CB-CB 4.26Å; R369-A390 VanDerWaalsContact CD-O 3.22Å; R369-A390 WeakPolarHBondContact CD-O 3.07Å; R369-A390 PolarHBondContact NH1-O 2.97Å; Y383-A390 HydrophobicContact CE1-CB 3.91Å; Y383-A390 VanDerWaalsContact OH-CB 3.3Å; Y383-A390 WeakPolarHBondContact OH-CB 3.49Å; Y384-A390 HydrophobicContact CD1-CB 4.32Å; Y384-A390 HydrophobicContact CE1-CB 4.36Å; V387-A390 HydrophobicContact CB-CB 4.33Å; V387-A390 HydrophobicContact CG1-CB 4.01Å; V387-A390 VanDerWaalsContact O-CB 3.3Å; V387-A390 WeakPolarHBondContact O-CB 3.23Å; V387-A390 PolarHBondContact O-N 3.09Å; P388-A390 PolarHBondContact O-N 2.72Å; A390-N392 PolarHBondContact O-N 2.77Å; A390-V393 PolarHBondContact O-N 2.88Å
391	R	89.4	Confident	90	Very high	85 Å²	85	51.1 Å²	51.1	32%	0.321	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-53.8	-32	-177.9	-70.9	-173.6	175.6	100.2	-1.6	113.2	R369 Y384 P388 S389 S558	R369-R391 PolarHBondContact NH1-O 2.95Å; Y384-R391 HydrophobicContact CD1-CG 3.66Å; Y384-R391 HydrophobicContact CE1-CG 4.41Å; Y384-R391 HydrophobicContact CG-CG 3.86Å; Y384-R391 PolarHBondContact O-NH1 2.85Å; P388-R391 PolarHBondContact O-N 3.35Å; S389-R391 VanDerWaalsContact C-N 3.3Å; S389-R391 PolarHBondContact O-N 3.39Å; R391-S558 PolarHBondContact NH1-OG 3.01Å; R391-S558 PolarHBondContact NH2-OG 3.13Å
392	N	89.6	Confident	90.3	Very high	143 Å²	143	50.5 Å²	50.5	77%	0.765	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-91.7	-0.9	-176.1	-59.9	-34.4	0	0	0	113.9	A390 P394	A390-N392 PolarHBondContact O-N 2.77Å; N392-P394 WeakPolarHBondContact O-CD 3.13Å
393	V	91.6	Very high	90.7	Very high	21 Å²	21	54.3 Å²	54.3	13%	0.127	31%	0.308	C	S	.	.	S	Bend	trans	-88.5	115.8	-176.1	178.9	0	0	0	0	110.9	T362 A365 R366 R369 A390 Y395	T362-V393 HydrophobicContact CG2-CG1 3.97Å; A365-V393 HydrophobicContact CB-CB 4.41Å; A365-V393 HydrophobicContact CB-CG1 4.35Å; A365-V393 HydrophobicContact CB-CG2 4.05Å; R366-V393 HydrophobicContact CB-CG1 4Å; R369-V393 WeakPolarHBondContact CD-O 3.3Å; R369-V393 PolarHBondContact NH1-O 3.44Å; A390-V393 PolarHBondContact O-N 2.88Å; V393-Y395 PolarHBondContact O-N 2.88Å
394	P	94.6	Very high	91.1	Very high	104 Å²	104	55.2 Å²	55.2	68%	0.675	31%	0.313	S	S	*	.			trans	-64.6	126.4	178.1	-20.7	33.5	0	0	0	112.2	R366 N392	R366-P394 PolarHBondContact NH1-O 2.94Å; N392-P394 WeakPolarHBondContact O-CD 3.13Å
395	Y	96.5	Very high	91.6	Very high	57 Å²	57	56 Å²	56	22%	0.224	32%	0.316	C	S	.	.			trans	-110	0.8	-175.9	60.1	-89.5	0	0	0	114.5	R369 R370 E373 V393 I398	R369-Y395 HydrophobicContact CB-CD1 4.19Å; R369-Y395 HydrophobicContact CB-CG 4.11Å; R369-Y395 VanDerWaalsContact CZ-CE1 3.45Å; R370-Y395 HydrophobicContact CG-CD2 4.46Å; R370-Y395 WeakPolarHBondContact CG-O 3.35Å; R370-Y395 PolarHBondContact NH1-O 2.79Å; E373-Y395 HydrophobicContact CB-CE2 4.37Å; E373-Y395 HydrophobicContact CG-CE1 4.31Å; E373-Y395 HydrophobicContact CG-CE2 4.04Å; V393-Y395 PolarHBondContact O-N 2.88Å; Y395-I398 HydrophobicContact CD2-CG2 3.87Å; Y395-I398 HydrophobicContact CE2-CD1 4.03Å; Y395-I398 HydrophobicContact CE2-CG1 4.27Å; Y395-I398 HydrophobicContact CE2-CG2 4.03Å
396	G	96.9	Very high	92.4	Very high	40 Å²	40	64.5 Å²	64.5	41%	0.412	35%	0.352	S	S	.	.			trans	73.3	-172.4	178.5	0	0	0	0	0	113.8
397	N	97.9	Very high	93.5	Very high	104 Å²	104	72 Å²	72	56%	0.556	38%	0.376	S	S	*	.			trans	-72.5	137.9	-179.8	-173.8	-56.3	0	0	0	111.2	M314 R370 Q399	M314-N397 VanDerWaalsContact SD-O 3.4Å; R370-N397 PolarHBondContact NH1-O 3.13Å; R370-N397 PolarHBondContact NH2-O 3.22Å; N397-Q399 WeakPolarHBondContact OD1-CB 3.32Å; N397-Q399 PolarHBondContact OD1-N 2.53Å
398	I	98.4	Very high	94.3	Very high	17 Å²	17	72.8 Å²	72.8	9%	0.087	38%	0.379	C	S	.	.			trans	-124	9.4	178.8	58.6	167.9	0	0	0	113.2	R370 E373 V374 Y395 S400 R401 L402	R370-I398 HydrophobicContact CB-CG2 4.47Å; R370-I398 HydrophobicContact CG-CG2 4.33Å; E373-I398 HydrophobicContact CB-CD1 3.59Å; V374-I398 HydrophobicContact CG2-CB 3.94Å; V374-I398 HydrophobicContact CG2-CD1 3.99Å; V374-I398 HydrophobicContact CG2-CG1 4.49Å; V374-I398 HydrophobicContact CG2-CG2 4.34Å; Y395-I398 HydrophobicContact CD2-CG2 3.87Å; Y395-I398 HydrophobicContact CE2-CD1 4.03Å; Y395-I398 HydrophobicContact CE2-CG1 4.27Å; Y395-I398 HydrophobicContact CE2-CG2 4.03Å; I398-S400 VanDerWaalsContact C-N 3.34Å; I398-S400 PolarHBondContact O-N 3Å; I398-R401 WeakPolarHBondContact O-CB 3.17Å; I398-R401 PolarHBondContact O-N 2.92Å; I398-L402 HydrophobicContact CD1-CD1 4.05Å; I398-L402 HydrophobicContact CD1-CG 4.33Å; I398-L402 HydrophobicContact CG1-CD1 4.02Å; I398-L402 HydrophobicContact CG1-CG 4.39Å; I398-L402 PolarHBondContact O-N 2.93Å
399	Q	98.3	Very high	95.2	Very high	94 Å²	94	72.7 Å²	72.7	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-42.7	-171.7	-174.2	59	27.9	0	0	112.2	N397 R401 L402 E403	N397-Q399 WeakPolarHBondContact OD1-CB 3.32Å; N397-Q399 PolarHBondContact OD1-N 2.53Å; Q399-R401 PolarHBondContact O-N 3.32Å; Q399-L402 PolarHBondContact O-N 3.07Å; Q399-E403 VanDerWaalsContact CG-OE1 3.32Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.32Å; Q399-E403 PolarHBondContact NE2-OE1 3.05Å; Q399-E403 WeakPolarHBondContact O-CB 3.36Å; Q399-E403 WeakPolarHBondContact O-CG 3.35Å; Q399-E403 PolarHBondContact O-N 3.28Å
400	S	97.9	Very high	96.1	Very high	67 Å²	67	69.5 Å²	69.5	47%	0.469	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-32.4	177.1	62.5	0	0	0	0	113	I398 M404	I398-S400 VanDerWaalsContact C-N 3.34Å; I398-S400 PolarHBondContact O-N 3Å; S400-M404 WeakPolarHBondContact O-CB 3.3Å; S400-M404 PolarHBondContact O-N 3.19Å; S400-M404 VanDerWaalsContact O-N 3.17Å
401	R	98.3	Very high	96.6	Very high	9 Å²	9	74 Å²	74	3%	0.034	39%	0.387	C	S	.	.	H	α-helix	trans	-75.6	-40	176.4	-59.9	-53.9	-54.1	174.9	5	111.6	G309 E324 R328 V374 I398 Q399 M404 K405	G309-R401 PolarHBondContact O-NH1 2.95Å; E324-R401 IonicContact OE1-CZ 2.76Å; E324-R401 IonicContact OE1-NE 3.29Å; E324-R401 IonicContact OE1-NH2 3.38Å; E324-R401 PolarHBondContact OE1-NH2 3.08Å; R328-R401 VanDerWaalsContact CD-NH2 3.29Å; V374-R401 HydrophobicContact CB-CB 4.49Å; V374-R401 HydrophobicContact CG1-CB 3.95Å; V374-R401 HydrophobicContact CG2-CB 3.7Å; I398-R401 WeakPolarHBondContact O-CB 3.17Å; I398-R401 PolarHBondContact O-N 2.92Å; Q399-R401 PolarHBondContact O-N 3.32Å; R401-M404 PolarHBondContact NH1-SD 3.36Å; R401-M404 VanDerWaalsContact NH1-SD 3.35Å; R401-M404 PolarHBondContact NH2-SD 2.66Å; R401-M404 VanDerWaalsContact NH2-SD 3.41Å; R401-M404 WeakPolarHBondContact O-CB 3.38Å; R401-M404 PolarHBondContact O-N 3.44Å; R401-K405 PolarHBondContact O-N 3.46Å
402	L	98.1	Very high	97.1	Very high	64 Å²	64	73.3 Å²	73.3	34%	0.335	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-44.7	175.1	-68.2	172.1	0	0	0	111.8	V374 I398 Q399 M404 K405 K406	V374-L402 HydrophobicContact CB-CD2 4.47Å; V374-L402 HydrophobicContact CG1-CD2 4.39Å; V374-L402 HydrophobicContact CG2-CD2 4.35Å; I398-L402 HydrophobicContact CD1-CD1 4.05Å; I398-L402 HydrophobicContact CD1-CG 4.33Å; I398-L402 HydrophobicContact CG1-CD1 4.02Å; I398-L402 HydrophobicContact CG1-CG 4.39Å; I398-L402 PolarHBondContact O-N 2.93Å; Q399-L402 PolarHBondContact O-N 3.07Å; L402-M404 VanDerWaalsContact C-N 3.3Å; L402-M404 PolarHBondContact O-N 2.97Å; L402-K405 PolarHBondContact O-N 2.74Å; L402-K406 PolarHBondContact O-N 3.03Å
403	E	97.9	Very high	97.5	Very high	108 Å²	108	66.5 Å²	66.5	51%	0.505	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-39.4	176	-74.4	168.3	-174.4	0	0	111.9	Q399 K406 R407	Q399-E403 VanDerWaalsContact CG-OE1 3.32Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.32Å; Q399-E403 PolarHBondContact NE2-OE1 3.05Å; Q399-E403 WeakPolarHBondContact O-CB 3.36Å; Q399-E403 WeakPolarHBondContact O-CG 3.35Å; Q399-E403 PolarHBondContact O-N 3.28Å; E403-K406 PolarHBondContact O-N 2.99Å; E403-R407 WeakPolarHBondContact O-CB 3.4Å; E403-R407 PolarHBondContact O-N 2.97Å
404	M	97.6	Very high	97.8	Very high	21 Å²	21	70.7 Å²	70.7	10%	0.103	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-47.8	173.8	-178.3	-172.6	-54.7	0	0	112.2	S400 R401 L402 K406 R407 L408	S400-M404 WeakPolarHBondContact O-CB 3.3Å; S400-M404 PolarHBondContact O-N 3.19Å; S400-M404 VanDerWaalsContact O-N 3.17Å; R401-M404 PolarHBondContact NH1-SD 3.36Å; R401-M404 VanDerWaalsContact NH1-SD 3.35Å; R401-M404 PolarHBondContact NH2-SD 2.66Å; R401-M404 VanDerWaalsContact NH2-SD 3.41Å; R401-M404 WeakPolarHBondContact O-CB 3.38Å; R401-M404 PolarHBondContact O-N 3.44Å; L402-M404 VanDerWaalsContact C-N 3.3Å; L402-M404 PolarHBondContact O-N 2.97Å; M404-K406 VanDerWaalsContact C-N 3.25Å; M404-K406 PolarHBondContact O-N 3.25Å; M404-R407 PolarHBondContact O-N 2.99Å; M404-L408 HydrophobicContact CG-CD1 3.84Å; M404-L408 HydrophobicContact CG-CG 4.39Å; M404-L408 WeakPolarHBondContact O-CB 3.21Å; M404-L408 WeakPolarHBondContact O-CG 3.49Å; M404-L408 PolarHBondContact O-N 2.91Å
405	K	98	Very high	98	Very high	26 Å²	26	68.3 Å²	68.3	11%	0.113	35%	0.351	C	S	.	.	H	α-helix	trans	-55.3	-43.2	175.7	178.2	174.9	170	174.6	0	110.8	V374 W375 D377 R401 L402 G409 C410	V374-K405 HydrophobicContact CG1-CD 4.43Å; V374-K405 WeakPolarHBondContact O-CD 3.22Å; V374-K405 PolarHBondContact O-NZ 3.22Å; W375-K405 HydrophobicContact CE3-CD 4.08Å; W375-K405 HydrophobicContact CE3-CG 4.48Å; W375-K405 HydrophobicContact CH2-CB 4.19Å; W375-K405 HydrophobicContact CH2-CG 4.37Å; W375-K405 HydrophobicContact CZ3-CB 4.33Å; W375-K405 HydrophobicContact CZ3-CD 4.11Å; W375-K405 HydrophobicContact CZ3-CG 4Å; D377-K405 IonicContact OD1-NZ 2.79Å; D377-K405 PolarHBondContact OD1-NZ 2.05Å; R401-K405 PolarHBondContact O-N 3.46Å; L402-K405 PolarHBondContact O-N 2.74Å; K405-G409 PolarHBondContact O-N 2.96Å; K405-C410 HydrophobicContact CG-CB 4.11Å; K405-C410 PolarHBondContact O-N 3.44Å; K405-C410 PolarHBondContact O-SG 3.4Å
406	K	97.6	Very high	98.1	Very high	183 Å²	183	65.6 Å²	65.6	80%	0.796	34%	0.341	S	S	*	.	H	α-helix	trans	-64.4	-48.8	175.7	-174.2	178.8	-179.8	-179.8	0	112.3	L402 E403 M404 L408 G409	L402-K406 PolarHBondContact O-N 3.03Å; E403-K406 PolarHBondContact O-N 2.99Å; M404-K406 VanDerWaalsContact C-N 3.25Å; M404-K406 PolarHBondContact O-N 3.25Å; K406-L408 VanDerWaalsContact C-N 3.29Å; K406-L408 PolarHBondContact O-N 3.2Å; K406-G409 PolarHBondContact O-N 2.72Å; K406-G409 VanDerWaalsContact O-N 3.09Å
407	R	97.8	Very high	98.2	Very high	180 Å²	180	64.1 Å²	64.1	68%	0.679	32%	0.323	S	S	*	.	H	α-helix	trans	-61.2	-37	-178.7	-177.7	179.1	65.3	-146.7	0.3	112.6	E403 M404 G409	E403-R407 WeakPolarHBondContact O-CB 3.4Å; E403-R407 PolarHBondContact O-N 2.97Å; M404-R407 PolarHBondContact O-N 2.99Å; R407-G409 VanDerWaalsContact C-N 3.26Å; R407-G409 PolarHBondContact O-N 3.23Å
408	L	97.7	Very high	98.2	Very high	51 Å²	51	64.8 Å²	64.8	27%	0.267	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.1	178.7	-69.8	173.6	0	0	0	113.3	L308 C332 M404 K406 C410	L308-L408 HydrophobicContact CD2-CD1 3.87Å; C332-L408 HydrophobicContact CB-CB 4.45Å; C332-L408 HydrophobicContact CB-CD1 4.42Å; M404-L408 HydrophobicContact CG-CD1 3.84Å; M404-L408 HydrophobicContact CG-CG 4.39Å; M404-L408 WeakPolarHBondContact O-CB 3.21Å; M404-L408 WeakPolarHBondContact O-CG 3.49Å; M404-L408 PolarHBondContact O-N 2.91Å; K406-L408 VanDerWaalsContact C-N 3.29Å; K406-L408 PolarHBondContact O-N 3.2Å; L408-C410 VanDerWaalsContact C-N 3.27Å; L408-C410 WeakPolarHBondContact CB-SG 3.41Å; L408-C410 PolarHBondContact O-N 3.18Å
409	G	98	Very high	98.2	Very high	64 Å²	64	68.6 Å²	68.6	66%	0.66	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	35.1	-179.9	0	0	0	0	0	113.2	K405 K406 R407	K405-G409 PolarHBondContact O-N 2.96Å; K406-G409 PolarHBondContact O-N 2.72Å; K406-G409 VanDerWaalsContact O-N 3.09Å; R407-G409 VanDerWaalsContact C-N 3.26Å; R407-G409 PolarHBondContact O-N 3.23Å
410	C	98.6	Very high	98.2	Very high	21 Å²	21	65 Å²	65	14%	0.142	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.4	145.3	-173	-47.7	0	0	0	0	111.7	Q331 C332 W375 K405 L408	Q331-C410 HydrophobicContact CB-CB 4.17Å; Q331-C410 CarbonylContact O-C 3.53Å; Q331-C410 VanDerWaalsContact O-CA 3.31Å; Q331-C410 WeakPolarHBondContact O-CA 3.21Å; C332-C410 HydrophobicContact CB-CB 4.05Å; C332-C410 WeakPolarHBondContact CB-SG 3.29Å; C332-C410 WeakPolarHBondContact SG-CB 3.42Å; C332-C410 CovalentContact SG-SG 2.04Å; C332-C410 PolarHBondContact SG-SG 3.19Å; W375-C410 HydrophobicContact CZ3-CB 4.33Å; K405-C410 HydrophobicContact CG-CB 4.11Å; K405-C410 PolarHBondContact O-N 3.44Å; K405-C410 PolarHBondContact O-SG 3.4Å; L408-C410 VanDerWaalsContact C-N 3.27Å; L408-C410 WeakPolarHBondContact CB-SG 3.41Å; L408-C410 PolarHBondContact O-N 3.18Å
411	K	98.8	Very high	98.2	Very high	94 Å²	94	62 Å²	62	41%	0.409	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-66.8	153.3	177	-62.7	-173.6	-179.8	-176.7	0	111.4	Q331 W415	Q331-K411 PolarHBondContact O-N 3.39Å; Q331-K411 PolarHBondContact OE1-O 3.36Å; Q331-K411 VanDerWaalsContact OE1-O 3.1Å; K411-W415 HydrophobicContact CB-CB 4.13Å; K411-W415 HydrophobicContact CB-CD2 3.89Å; K411-W415 HydrophobicContact CB-CE3 3.76Å; K411-W415 HydrophobicContact CB-CG 4.02Å; K411-W415 HydrophobicContact CD-CD2 3.22Å; K411-W415 HydrophobicContact CD-CE3 3.62Å; K411-W415 HydrophobicContact CD-CG 3.63Å; K411-W415 HydrophobicContact CD-CH2 4.08Å; K411-W415 HydrophobicContact CD-CZ2 3.75Å; K411-W415 HydrophobicContact CD-CZ3 4.02Å; K411-W415 HydrophobicContact CG-CD2 4.2Å; K411-W415 HydrophobicContact CG-CE3 4.32Å; K411-W415 HydrophobicContact CG-CG 4.43Å; K411-W415 VanDerWaalsContact NZ-CE2 3.26Å; K411-W415 VanDerWaalsContact NZ-CZ2 3.29Å
412	P	98.6	Very high	98.1	Very high	72 Å²	72	65.6 Å²	65.6	47%	0.468	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.4	161.1	177.9	29.6	-36.1	0	0	0	112	D377 K414 W415 Y416	D377-P412 WeakPolarHBondContact OD2-CA 3.2Å; P412-K414 PolarHBondContact O-N 3.11Å; P412-W415 HydrophobicContact CG-CB 4.25Å; P412-W415 WeakPolarHBondContact O-CB 3.48Å; P412-W415 PolarHBondContact O-N 2.96Å; P412-Y416 PolarHBondContact O-N 3.44Å
413	F	98.6	Very high	97.8	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-29.4	179.7	-162.2	-108.2	0	0	0	113.1	F261 W263 F327 W375 M376 D377 Y379 W415 Y416 L417	F261-F413 HydrophobicContact CZ-CZ 4.19Å; W263-F413 HydrophobicContact CZ3-CE1 4.39Å; F327-F413 AromaticContact CD1-CE2 3.94Å; F327-F413 HydrophobicContact CD1-CE2 3.94Å; F327-F413 HydrophobicContact CD2-CE2 4.23Å; F327-F413 AromaticContact CE1-CE2 3.9Å; F327-F413 HydrophobicContact CE1-CE2 3.9Å; F327-F413 HydrophobicContact CE1-CZ 4.19Å; F327-F413 HydrophobicContact CE2-CE2 4.18Å; F327-F413 HydrophobicContact CG-CE2 4.12Å; F327-F413 HydrophobicContact CZ-CE2 4.02Å; F327-F413 HydrophobicContact CZ-CZ 4.13Å; W375-F413 WeakPolarHBondContact O-CB 3.39Å; W375-F413 VanDerWaalsContact O-CD2 3.27Å; W375-F413 WeakPolarHBondContact O-CD2 3.18Å; M376-F413 HydrophobicContact CB-CD1 4.29Å; M376-F413 HydrophobicContact CB-CD2 4.38Å; M376-F413 HydrophobicContact CB-CE1 4.41Å; M376-F413 HydrophobicContact CB-CG 4.26Å; M376-F413 HydrophobicContact CE-CE1 4.07Å; M376-F413 HydrophobicContact CE-CZ 4.13Å; M376-F413 HydrophobicContact CG-CD1 4.46Å; M376-F413 HydrophobicContact CG-CD2 4.1Å; M376-F413 HydrophobicContact CG-CE1 4.17Å; M376-F413 HydrophobicContact CG-CE2 3.8Å; M376-F413 HydrophobicContact CG-CG 4.41Å; M376-F413 HydrophobicContact CG-CZ 3.83Å; D377-F413 HydrophobicContact CB-CB 4.49Å; D377-F413 PolarHBondContact OD2-N 3.33Å; Y379-F413 HydrophobicContact CD2-CB 4.2Å; Y379-F413 AromaticContact CD2-CD1 3.71Å; Y379-F413 HydrophobicContact CD2-CD1 3.71Å; Y379-F413 HydrophobicContact CD2-CG 4.44Å; Y379-F413 AromaticContact CG-CD1 3.74Å; Y379-F413 HydrophobicContact CG-CD1 3.74Å; Y379-F413 HydrophobicContact CG-CE1 4.31Å; F413-W415 VanDerWaalsContact C-N 3.26Å; F413-W415 PolarHBondContact O-N 2.9Å; F413-Y416 HydrophobicContact CD2-CD1 4.23Å; F413-Y416 HydrophobicContact CD2-CG 4.46Å; F413-Y416 AromaticContact CE2-CD1 3.72Å; F413-Y416 HydrophobicContact CE2-CD1 3.72Å; F413-Y416 HydrophobicContact CE2-CE1 4.17Å; F413-Y416 HydrophobicContact CE2-CG 4.29Å; F413-Y416 AromaticContact CZ-CD1 3.94Å; F413-Y416 HydrophobicContact CZ-CD1 3.94Å; F413-Y416 HydrophobicContact CZ-CE1 4.23Å; F413-Y416 WeakPolarHBondContact O-CA 3.38Å; F413-Y416 WeakPolarHBondContact O-CB 3.42Å; F413-Y416 PolarHBondContact O-N 2.99Å; F413-L417 HydrophobicContact CD1-CD1 3.83Å; F413-L417 HydrophobicContact CD1-CD2 4.5Å; F413-L417 HydrophobicContact CD1-CG 3.98Å; F413-L417 HydrophobicContact CE1-CD1 3.86Å; F413-L417 HydrophobicContact CE1-CD2 3.85Å; F413-L417 HydrophobicContact CE1-CG 3.83Å; F413-L417 HydrophobicContact CZ-CD2 4.34Å; F413-L417 PolarHBondContact O-N 3.41Å
414	K	98.2	Very high	97.5	Very high	108 Å²	108	61.3 Å²	61.3	47%	0.47	31%	0.309	S	S	.	.	H	α-helix	trans	-54.5	-43.9	171.3	-179.7	170.9	175.7	177	0	111.8	Y379 P412 Y416 L417 E418	Y379-K414 HydrophobicContact CE2-CB 3.93Å; Y379-K414 WeakPolarHBondContact OH-CG 3.21Å; P412-K414 PolarHBondContact O-N 3.11Å; K414-Y416 VanDerWaalsContact C-N 3.31Å; K414-Y416 PolarHBondContact O-N 2.87Å; K414-L417 PolarHBondContact O-N 3.48Å; K414-E418 WeakPolarHBondContact CE-OE1 3.3Å; K414-E418 HydrophobicContact CG-CG 4.48Å; K414-E418 IonicContact NZ-OE1 3.82Å; K414-E418 WeakPolarHBondContact O-CG 3.31Å; K414-E418 PolarHBondContact O-N 2.63Å
415	W	98.6	Very high	97	Very high	55 Å²	55	64.7 Å²	64.7	21%	0.208	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-39.8	176.8	173.2	87.4	0	0	0	111.4	W330 K411 P412 F413 E418 N419 V420	W330-W415 VanDerWaalsContact O-CZ3 3.31Å; W330-W415 WeakPolarHBondContact O-CZ3 3.44Å; K411-W415 HydrophobicContact CB-CB 4.13Å; K411-W415 HydrophobicContact CB-CD2 3.89Å; K411-W415 HydrophobicContact CB-CE3 3.76Å; K411-W415 HydrophobicContact CB-CG 4.02Å; K411-W415 HydrophobicContact CD-CD2 3.22Å; K411-W415 HydrophobicContact CD-CE3 3.62Å; K411-W415 HydrophobicContact CD-CG 3.63Å; K411-W415 HydrophobicContact CD-CH2 4.08Å; K411-W415 HydrophobicContact CD-CZ2 3.75Å; K411-W415 HydrophobicContact CD-CZ3 4.02Å; K411-W415 HydrophobicContact CG-CD2 4.2Å; K411-W415 HydrophobicContact CG-CE3 4.32Å; K411-W415 HydrophobicContact CG-CG 4.43Å; K411-W415 VanDerWaalsContact NZ-CE2 3.26Å; K411-W415 VanDerWaalsContact NZ-CZ2 3.29Å; P412-W415 HydrophobicContact CG-CB 4.25Å; P412-W415 WeakPolarHBondContact O-CB 3.48Å; P412-W415 PolarHBondContact O-N 2.96Å; F413-W415 VanDerWaalsContact C-N 3.26Å; F413-W415 PolarHBondContact O-N 2.9Å; W415-E418 PolarHBondContact O-N 3.39Å; W415-N419 HydrophobicContact CD2-CB 4.32Å; W415-N419 HydrophobicContact CZ2-CB 3.99Å; W415-N419 VanDerWaalsContact NE1-CG 3.3Å; W415-N419 PolarHBondContact NE1-ND2 3.15Å; W415-N419 VanDerWaalsContact O-CB 3.28Å; W415-N419 WeakPolarHBondContact O-CB 3.19Å; W415-N419 PolarHBondContact O-N 3.43Å; W415-N419 PolarHBondContact O-ND2 2.99Å; W415-V420 HydrophobicContact CH2-CG2 3.92Å; W415-V420 HydrophobicContact CZ3-CG2 3.88Å
416	Y	98.8	Very high	96.5	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-46.9	176.1	172.6	-88.6	0	0	0	111.2	F261 P291 F327 W330 P412 F413 K414 E418 V420 Y421	F261-Y416 HydrophobicContact CE1-CE1 4.08Å; F261-Y416 HydrophobicContact CZ-CE1 4.12Å; P291-Y416 PolarHBondContact O-OH 2.91Å; F327-Y416 HydrophobicContact CD1-CE1 4.12Å; F327-Y416 HydrophobicContact CD1-CE2 4.1Å; F327-Y416 AromaticContact CD1-CZ 3.8Å; F327-Y416 AromaticContact CE1-CE1 3.96Å; F327-Y416 HydrophobicContact CE1-CE1 3.96Å; F327-Y416 AromaticContact CE1-CZ 3.89Å; W330-Y416 HydrophobicContact CB-CD2 3.76Å; W330-Y416 HydrophobicContact CB-CE2 3.93Å; W330-Y416 AromaticContact CD1-CE2 3.77Å; W330-Y416 HydrophobicContact CG-CD2 4.25Å; W330-Y416 HydrophobicContact CG-CE2 4.01Å; P412-Y416 PolarHBondContact O-N 3.44Å; F413-Y416 HydrophobicContact CD2-CD1 4.23Å; F413-Y416 HydrophobicContact CD2-CG 4.46Å; F413-Y416 AromaticContact CE2-CD1 3.72Å; F413-Y416 HydrophobicContact CE2-CD1 3.72Å; F413-Y416 HydrophobicContact CE2-CE1 4.17Å; F413-Y416 HydrophobicContact CE2-CG 4.29Å; F413-Y416 AromaticContact CZ-CD1 3.94Å; F413-Y416 HydrophobicContact CZ-CD1 3.94Å; F413-Y416 HydrophobicContact CZ-CE1 4.23Å; F413-Y416 WeakPolarHBondContact O-CA 3.38Å; F413-Y416 WeakPolarHBondContact O-CB 3.42Å; F413-Y416 PolarHBondContact O-N 2.99Å; K414-Y416 VanDerWaalsContact C-N 3.31Å; K414-Y416 PolarHBondContact O-N 2.87Å; Y416-E418 PolarHBondContact O-N 3.2Å; Y416-V420 HydrophobicContact CD2-CB 3.82Å; Y416-V420 HydrophobicContact CD2-CG1 3.96Å; Y416-V420 HydrophobicContact CD2-CG2 4.06Å; Y416-V420 HydrophobicContact CE2-CB 3.96Å; Y416-V420 HydrophobicContact CE2-CG1 3.59Å; Y416-V420 HydrophobicContact CG-CB 4.3Å; Y416-V420 WeakPolarHBondContact O-CA 3.37Å; Y416-V420 WeakPolarHBondContact O-CB 3.42Å; Y416-V420 PolarHBondContact O-N 2.8Å; Y416-Y421 HydrophobicContact CE1-CD1 4.47Å; Y416-Y421 PolarHBondContact O-N 3.17Å
417	L	98.1	Very high	95.8	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-44.3	177.4	-64.9	172	0	0	0	111.9	W263 Y379 F413 K414 Y421 P422 L424 V426	W263-L417 HydrophobicContact CH2-CD1 4.1Å; W263-L417 HydrophobicContact CH2-CD2 4.25Å; Y379-L417 HydrophobicContact CD1-CD1 3.39Å; Y379-L417 HydrophobicContact CD2-CD1 4.29Å; Y379-L417 HydrophobicContact CE1-CD1 3.29Å; Y379-L417 HydrophobicContact CE2-CD1 4.2Å; Y379-L417 HydrophobicContact CG-CD1 3.91Å; F413-L417 HydrophobicContact CD1-CD1 3.83Å; F413-L417 HydrophobicContact CD1-CD2 4.5Å; F413-L417 HydrophobicContact CD1-CG 3.98Å; F413-L417 HydrophobicContact CE1-CD1 3.86Å; F413-L417 HydrophobicContact CE1-CD2 3.85Å; F413-L417 HydrophobicContact CE1-CG 3.83Å; F413-L417 HydrophobicContact CZ-CD2 4.34Å; F413-L417 PolarHBondContact O-N 3.41Å; K414-L417 PolarHBondContact O-N 3.48Å; L417-Y421 CarbonylContact O-C 3.55Å; L417-P422 WeakPolarHBondContact O-CA 3.27Å; L417-L424 HydrophobicContact CD2-CB 4.47Å; L417-L424 HydrophobicContact CD2-CD2 3.81Å; L417-L424 HydrophobicContact CD2-CG 4.44Å; L417-V426 HydrophobicContact CD1-CG2 3.99Å
418	E	97.8	Very high	94.9	Very high	117 Å²	117	52.9 Å²	52.9	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-72.2	-31	-177.1	-70.6	172.1	168.4	0	0	113.9	K414 W415 Y416	K414-E418 WeakPolarHBondContact CE-OE1 3.3Å; K414-E418 HydrophobicContact CG-CG 4.48Å; K414-E418 IonicContact NZ-OE1 3.82Å; K414-E418 WeakPolarHBondContact O-CG 3.31Å; K414-E418 PolarHBondContact O-N 2.63Å; W415-E418 PolarHBondContact O-N 3.39Å; Y416-E418 PolarHBondContact O-N 3.2Å
419	N	98.3	Very high	93.7	Very high	98 Å²	98	58.5 Å²	58.5	52%	0.524	31%	0.308	S	S	.	.	H	α-helix	trans	-114.3	-22.3	-168.4	-64.5	-103.7	0	0	0	114	W415	W415-N419 HydrophobicContact CD2-CB 4.32Å; W415-N419 HydrophobicContact CZ2-CB 3.99Å; W415-N419 VanDerWaalsContact NE1-CG 3.3Å; W415-N419 PolarHBondContact NE1-ND2 3.15Å; W415-N419 VanDerWaalsContact O-CB 3.28Å; W415-N419 WeakPolarHBondContact O-CB 3.19Å; W415-N419 PolarHBondContact O-N 3.43Å; W415-N419 PolarHBondContact O-ND2 2.99Å
420	V	98.4	Very high	92.6	Very high	18 Å²	18	61 Å²	61	11%	0.109	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-42.6	-174.6	-178.6	0	0	0	0	110.9	P291 W330 W415 Y416 P422	P291-V420 HydrophobicContact CB-CG1 4.45Å; W330-V420 HydrophobicContact CB-CG2 4.23Å; W330-V420 HydrophobicContact CD2-CB 4.34Å; W330-V420 HydrophobicContact CD2-CG1 3.58Å; W330-V420 HydrophobicContact CD2-CG2 3.77Å; W330-V420 HydrophobicContact CE3-CG1 4.2Å; W330-V420 HydrophobicContact CE3-CG2 3.65Å; W330-V420 HydrophobicContact CG-CB 4.5Å; W330-V420 HydrophobicContact CG-CG1 3.73Å; W330-V420 HydrophobicContact CG-CG2 4.06Å; W330-V420 HydrophobicContact CZ2-CG1 4.08Å; W330-V420 HydrophobicContact CZ3-CG2 4.26Å; W415-V420 HydrophobicContact CH2-CG2 3.92Å; W415-V420 HydrophobicContact CZ3-CG2 3.88Å; Y416-V420 HydrophobicContact CD2-CB 3.82Å; Y416-V420 HydrophobicContact CD2-CG1 3.96Å; Y416-V420 HydrophobicContact CD2-CG2 4.06Å; Y416-V420 HydrophobicContact CE2-CB 3.96Å; Y416-V420 HydrophobicContact CE2-CG1 3.59Å; Y416-V420 HydrophobicContact CG-CB 4.3Å; Y416-V420 WeakPolarHBondContact O-CA 3.37Å; Y416-V420 WeakPolarHBondContact O-CB 3.42Å; Y416-V420 PolarHBondContact O-N 2.8Å; V420-P422 VanDerWaalsContact C-CD 3.47Å
421	Y	98.1	Very high	91.9	Very high	3 Å²	3	60.4 Å²	60.4	1%	0.012	30%	0.298	C	S	.	.			trans	-132.2	60.1	-177.9	-159.2	-166.3	0	0	0	113.9	G260 F261 D270 P291 Y416 L417 E423 L424	G260-Y421 VanDerWaalsContact CA-OH 3.23Å; G260-Y421 WeakPolarHBondContact CA-OH 3.42Å; F261-Y421 AromaticContact CD1-CD1 3.97Å; F261-Y421 HydrophobicContact CD1-CD1 3.97Å; F261-Y421 AromaticContact CD1-CE1 3.55Å; F261-Y421 HydrophobicContact CD1-CE1 3.55Å; F261-Y421 AromaticContact CE1-CD1 3.48Å; F261-Y421 HydrophobicContact CE1-CD1 3.48Å; F261-Y421 VanDerWaalsContact CE1-CD1 3.48Å; F261-Y421 AromaticContact CE1-CE1 3.57Å; F261-Y421 HydrophobicContact CE1-CE1 3.57Å; F261-Y421 HydrophobicContact CG-CE1 4.18Å; F261-Y421 AromaticContact CZ-CD1 3.99Å; F261-Y421 HydrophobicContact CZ-CD1 3.99Å; F261-Y421 HydrophobicContact CZ-CE1 4.19Å; F261-Y421 PolarHBondContact N-OH 3.03Å; F261-Y421 PolarHBondContact O-OH 3.39Å; D270-Y421 WeakPolarHBondContact OD2-CE2 3.35Å; D270-Y421 PolarHBondContact OD2-OH 3.05Å; P291-Y421 HydrophobicContact CB-CD1 3.92Å; P291-Y421 HydrophobicContact CB-CD2 3.96Å; P291-Y421 HydrophobicContact CB-CE1 4.44Å; P291-Y421 HydrophobicContact CB-CE2 4.47Å; P291-Y421 HydrophobicContact CB-CG 3.64Å; P291-Y421 HydrophobicContact CG-CD1 4.35Å; P291-Y421 HydrophobicContact CG-CD2 3.47Å; P291-Y421 VanDerWaalsContact CG-CD2 3.47Å; P291-Y421 HydrophobicContact CG-CE2 3.97Å; P291-Y421 HydrophobicContact CG-CG 3.68Å; Y416-Y421 HydrophobicContact CE1-CD1 4.47Å; Y416-Y421 PolarHBondContact O-N 3.17Å; L417-Y421 CarbonylContact O-C 3.55Å; Y421-E423 HydrophobicContact CD2-CB 4.48Å; Y421-E423 HydrophobicContact CE2-CB 4.39Å; Y421-E423 PolarHBondContact O-N 3.34Å; Y421-L424 HydrophobicContact CD1-CB 3.65Å; Y421-L424 HydrophobicContact CD1-CD2 3.99Å; Y421-L424 HydrophobicContact CD1-CG 4.42Å; Y421-L424 HydrophobicContact CD2-CB 4.28Å; Y421-L424 HydrophobicContact CE1-CB 3.71Å; Y421-L424 HydrophobicContact CE1-CD2 4.02Å; Y421-L424 HydrophobicContact CE1-CG 4.3Å; Y421-L424 HydrophobicContact CE2-CB 4.34Å; Y421-L424 HydrophobicContact CG-CB 3.95Å; Y421-L424 PolarHBondContact O-N 2.86Å
422	P	95.9	Very high	91.4	Very high	85 Å²	85	57.2 Å²	57.2	55%	0.552	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.7	-177	29.4	-36.7	0	0	0	113.2	L417 V420 L424	L417-P422 WeakPolarHBondContact O-CA 3.27Å; V420-P422 VanDerWaalsContact C-CD 3.47Å; P422-L424 VanDerWaalsContact C-N 3.33Å
423	E	91.8	Very high	91	Very high	70 Å²	70	53.8 Å²	53.8	33%	0.327	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.3	177.3	-55	91.5	160.8	0	0	113.4	K258 T273 Q276 Y421 R425	K258-E423 IonicContact NZ-OE1 3.97Å; K258-E423 PolarHBondContact NZ-OE1 3.26Å; K258-E423 IonicContact NZ-OE2 3.67Å; K258-E423 PolarHBondContact NZ-OE2 2.92Å; T273-E423 HydrophobicContact CG2-CG 4.1Å; Q276-E423 PolarHBondContact NE2-OE1 3.44Å; Y421-E423 HydrophobicContact CD2-CB 4.48Å; Y421-E423 HydrophobicContact CE2-CB 4.39Å; Y421-E423 PolarHBondContact O-N 3.34Å; E423-R425 PolarHBondContact O-N 3.28Å; E423-R425 VanDerWaalsContact O-N 3.13Å
424	L	91.6	Very high	90.6	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.063	26%	0.264	C	S	.	.	S	Bend	trans	-72.3	107.4	173.7	178	58.2	0	0	0	109.5	F261 W263 L417 Y421 P422 V426	F261-L424 HydrophobicContact CD2-CD2 4.13Å; F261-L424 HydrophobicContact CE1-CD2 4.45Å; F261-L424 HydrophobicContact CE2-CD2 3.47Å; F261-L424 VanDerWaalsContact CE2-CD2 3.47Å; F261-L424 HydrophobicContact CZ-CD2 3.66Å; W263-L424 HydrophobicContact CH2-CD2 3.96Å; W263-L424 HydrophobicContact CH2-CG 4.49Å; W263-L424 HydrophobicContact CZ2-CD1 4.45Å; W263-L424 HydrophobicContact CZ2-CD2 3.81Å; W263-L424 HydrophobicContact CZ2-CG 3.87Å; W263-L424 HydrophobicContact CZ3-CD2 4.37Å; L417-L424 HydrophobicContact CD2-CB 4.47Å; L417-L424 HydrophobicContact CD2-CD2 3.81Å; L417-L424 HydrophobicContact CD2-CG 4.44Å; Y421-L424 HydrophobicContact CD1-CB 3.65Å; Y421-L424 HydrophobicContact CD1-CD2 3.99Å; Y421-L424 HydrophobicContact CD1-CG 4.42Å; Y421-L424 HydrophobicContact CD2-CB 4.28Å; Y421-L424 HydrophobicContact CE1-CB 3.71Å; Y421-L424 HydrophobicContact CE1-CD2 4.02Å; Y421-L424 HydrophobicContact CE1-CG 4.3Å; Y421-L424 HydrophobicContact CE2-CB 4.34Å; Y421-L424 HydrophobicContact CG-CB 3.95Å; Y421-L424 PolarHBondContact O-N 2.86Å; P422-L424 VanDerWaalsContact C-N 3.33Å; L424-V426 PolarHBondContact O-N 3.24Å
425	R	87.5	Confident	90.2	Very high	93 Å²	93	49.5 Å²	49.5	35%	0.351	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-68.8	120.4	-178.6	-165.9	165.5	176.2	163.6	4.7	111.2	W263 E423 F434 E468	W263-R425 PolarHBondContact NE1-O 2.93Å; E423-R425 PolarHBondContact O-N 3.28Å; E423-R425 VanDerWaalsContact O-N 3.13Å; R425-F434 HydrophobicContact CB-CZ 3.94Å; R425-F434 HydrophobicContact CG-CE2 4.18Å; R425-F434 HydrophobicContact CG-CZ 3.6Å; R425-E468 WeakPolarHBondContact CD-OE1 3.37Å; R425-E468 WeakPolarHBondContact CD-OE2 3.32Å; R425-E468 IonicContact CZ-OE1 3.92Å; R425-E468 IonicContact NE-OE1 3.26Å; R425-E468 IonicContact NH1-OE1 2.74Å; R425-E468 PolarHBondContact NH1-OE1 3.37Å
426	V	88.5	Confident	89.9	Confident	59 Å²	59	47.6 Å²	47.6	36%	0.358	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-86.3	127	174.7	-173.6	0	0	0	0	108.4	W263 Y379 F382 L417 L424	W263-V426 HydrophobicContact CZ2-CB 4.42Å; W263-V426 HydrophobicContact CZ2-CG2 4.04Å; Y379-V426 HydrophobicContact CD1-CG1 4.26Å; Y379-V426 HydrophobicContact CE1-CG1 3.89Å; Y379-V426 HydrophobicContact CE1-CG2 4.33Å; F382-V426 HydrophobicContact CE2-CG1 3.7Å; F382-V426 HydrophobicContact CZ-CG1 3.97Å; L417-V426 HydrophobicContact CD1-CG2 3.99Å; L424-V426 PolarHBondContact O-N 3.24Å
427	P	83.2	Confident	89.8	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.032	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-59.8	144.2	172.9	-20	30.5	0	0	0	111.7	F382 F434 L556	F382-P427 HydrophobicContact CD1-CB 4.24Å; F382-P427 HydrophobicContact CD1-CG 3.68Å; F382-P427 HydrophobicContact CE1-CB 3.78Å; F382-P427 HydrophobicContact CE1-CG 3.7Å; F382-P427 HydrophobicContact CG-CG 4.36Å; F382-P427 HydrophobicContact CZ-CB 4.41Å; F382-P427 HydrophobicContact CZ-CG 4.39Å; P427-F434 HydrophobicContact CB-CB 3.93Å; P427-F434 HydrophobicContact CB-CD1 4.27Å; P427-F434 HydrophobicContact CB-CD2 4.07Å; P427-F434 HydrophobicContact CB-CG 3.81Å; P427-F434 HydrophobicContact CG-CB 3.99Å; P427-F434 HydrophobicContact CG-CD1 3.66Å; P427-F434 HydrophobicContact CG-CD2 4.35Å; P427-F434 HydrophobicContact CG-CE1 4.28Å; P427-F434 HydrophobicContact CG-CG 3.72Å; P427-L556 HydrophobicContact CB-CD1 3.6Å; P427-L556 HydrophobicContact CB-CD2 4.47Å; P427-L556 HydrophobicContact CG-CD1 4.42Å; P427-L556 HydrophobicContact CG-CD2 4.48Å
428	D	78.9	Confident	89.7	Confident	77 Å²	77	50.3 Å²	50.3	41%	0.412	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-71.4	149.6	176.5	-162.6	-52.5	0	0	0	110.2	Q430 D431	D428-Q430 PolarHBondContact O-N 3.49Å; D428-Q430 VanDerWaalsContact O-N 3.11Å; D428-Q430 PolarHBondContact OD1-N 2.94Å; D428-D431 PolarHBondContact N-OD2 3.09Å; D428-D431 WeakPolarHBondContact O-CB 3.22Å; D428-D431 PolarHBondContact O-N 2.74Å
429	H	72.4	Confident	89.6	Confident	168 Å²	168	46.4 Å²	46.4	78%	0.778	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.6	168.4	-67.3	-67.6	0	0	0	113	K473	H429-K473 WeakPolarHBondContact O-CE 3.31Å; H429-K473 PolarHBondContact O-NZ 2.86Å
430	Q	73.9	Confident	89.3	Confident	116 Å²	116	45.4 Å²	45.4	54%	0.542	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-5	172.4	-60.6	-170.3	0.1	0	0	114.1	D428 T472 K473	D428-Q430 PolarHBondContact O-N 3.49Å; D428-Q430 VanDerWaalsContact O-N 3.11Å; D428-Q430 PolarHBondContact OD1-N 2.94Å; Q430-T472 CarbonylContact O-C 3.56Å; Q430-K473 HydrophobicContact CB-CD 4.48Å; Q430-K473 WeakPolarHBondContact O-CB 3.38Å; Q430-K473 VanDerWaalsContact O-CG 3.23Å; Q430-K473 WeakPolarHBondContact O-CG 3.21Å; Q430-K473 PolarHBondContact O-N 3.17Å
431	D	84.8	Confident	88.9	Confident	9 Å²	9	47.1 Å²	47.1	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	139.1	179.6	-62.8	-24.7	0	0	0	110.9	D428 L471 K478 L556	D428-D431 PolarHBondContact N-OD2 3.09Å; D428-D431 WeakPolarHBondContact O-CB 3.22Å; D428-D431 PolarHBondContact O-N 2.74Å; D431-L471 CarbonylContact C-O 3.58Å; D431-K478 IonicContact OD1-NZ 2.89Å; D431-K478 PolarHBondContact OD1-NZ 3.31Å; D431-L556 HydrophobicContact CB-CD1 3.78Å
432	I	87.8	Confident	88.7	Confident	28 Å²	28	50.2 Å²	50.2	14%	0.144	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-41.4	169.8	-62.3	178.1	0	0	0	109.6	L471 T472 K473 L556 Q557	I432-L471 WeakPolarHBondContact CA-O 3.5Å; I432-L471 HydrophobicContact CB-CD2 4.26Å; I432-L471 HydrophobicContact CB-CG 4.17Å; I432-L471 WeakPolarHBondContact CB-O 3.37Å; I432-L471 HydrophobicContact CG2-CD2 4.09Å; I432-L471 PolarHBondContact N-O 3.14Å; I432-T472 WeakPolarHBondContact CD1-O 3.2Å; I432-K473 HydrophobicContact CG1-CG 4.32Å; I432-L556 WeakPolarHBondContact O-CB 3.41Å; I432-L556 PolarHBondContact O-N 2.81Å; I432-Q557 HydrophobicContact CG2-CG 4.21Å
433	A	89.1	Confident	88.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155	178.6	0	0	0	0	0	110.4	A470 L471 F552 L554 N555	A433-A470 CarbonylContact O-C 3.14Å; A433-A470 WeakPolarHBondContact O-CA 3.34Å; A433-L471 HydrophobicContact CB-CB 4.02Å; A433-L471 PolarHBondContact N-O 3.39Å; A433-L471 VanDerWaalsContact N-O 3.1Å; A433-L471 PolarHBondContact O-N 3.41Å; A433-F552 HydrophobicContact CB-CB 3.75Å; A433-F552 HydrophobicContact CB-CD1 4.08Å; A433-F552 HydrophobicContact CB-CD2 3.77Å; A433-F552 HydrophobicContact CB-CE2 4.3Å; A433-F552 HydrophobicContact CB-CG 3.6Å; A433-L554 CarbonylContact C-O 3.52Å; A433-L554 WeakPolarHBondContact CA-O 3.23Å; A433-L554 VanDerWaalsContact CB-O 3.29Å; A433-L554 WeakPolarHBondContact CB-O 3.48Å; A433-N555 WeakPolarHBondContact CB-OD1 3.49Å
434	F	90.6	Very high	89.1	Confident	7 Å²	7	42.8 Å²	42.8	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.3	-171.9	-175.7	-89.1	0	0	0	112.9	R425 P427 E468 W469 A470 T553 L554	R425-F434 HydrophobicContact CB-CZ 3.94Å; R425-F434 HydrophobicContact CG-CE2 4.18Å; R425-F434 HydrophobicContact CG-CZ 3.6Å; P427-F434 HydrophobicContact CB-CB 3.93Å; P427-F434 HydrophobicContact CB-CD1 4.27Å; P427-F434 HydrophobicContact CB-CD2 4.07Å; P427-F434 HydrophobicContact CB-CG 3.81Å; P427-F434 HydrophobicContact CG-CB 3.99Å; P427-F434 HydrophobicContact CG-CD1 3.66Å; P427-F434 HydrophobicContact CG-CD2 4.35Å; P427-F434 HydrophobicContact CG-CE1 4.28Å; P427-F434 HydrophobicContact CG-CG 3.72Å; F434-E468 HydrophobicContact CZ-CG 4.17Å; F434-W469 CarbonylContact C-O 3.52Å; F434-A470 HydrophobicContact CD2-CB 3.79Å; F434-A470 HydrophobicContact CE2-CB 4.41Å; F434-T553 PolarHBondContact O-OG1 2.75Å; F434-L554 HydrophobicContact CB-CB 4.36Å; F434-L554 HydrophobicContact CD1-CD1 4.16Å; F434-L554 PolarHBondContact N-O 2.72Å; F434-L554 WeakPolarHBondContact O-CB 3.27Å; F434-L554 PolarHBondContact O-N 3.24Å
435	G	90.3	Very high	89.3	Confident	11 Å²	11	42.6 Å²	42.6	11%	0.113	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102	-135.7	172.5	0	0	0	0	0	112	W469 T553	G435-W469 PolarHBondContact N-O 3.07Å; G435-W469 WeakPolarHBondContact O-CA 3.3Å; G435-W469 PolarHBondContact O-N 2.88Å; G435-T553 VanDerWaalsContact CA-OG1 3.32Å; G435-T553 WeakPolarHBondContact CA-OG1 3.19Å
436	A	92.9	Very high	89.7	Confident	14 Å²	14	38.3 Å²	38.3	12%	0.116	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	144.5	178.3	0	0	0	0	0	111.5	Q438 Q467 F552 T553	A436-Q438 HydrophobicContact CB-CG 4.32Å; A436-Q467 WeakPolarHBondContact CA-O 3.42Å; A436-F552 CarbonylContact O-C 3.57Å; A436-F552 WeakPolarHBondContact O-CA 3.17Å; A436-T553 HydrophobicContact CB-CG2 3.9Å; A436-T553 PolarHBondContact N-OG1 2.9Å; A436-T553 PolarHBondContact O-N 3.38Å
437	L	95.9	Very high	90	Very high	1 Å²	1	39 Å²	39	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	104.2	170.3	-172.9	76.9	0	0	0	109.2	C443 L444 L518 L527 W550 F552	L437-C443 WeakPolarHBondContact O-CA 3.18Å; L437-L444 HydrophobicContact CB-CB 3.87Å; L437-L444 HydrophobicContact CB-CD2 4.23Å; L437-L444 HydrophobicContact CD2-CB 4.15Å; L437-L444 HydrophobicContact CD2-CD2 3.74Å; L437-L444 HydrophobicContact CG-CB 4.49Å; L437-L444 PolarHBondContact O-N 3.36Å; L437-L518 HydrophobicContact CD1-CD1 3.83Å; L437-L518 HydrophobicContact CD2-CD1 3.45Å; L437-L518 VanDerWaalsContact CD2-CD1 3.45Å; L437-L518 HydrophobicContact CG-CD1 4.29Å; L437-L527 HydrophobicContact CD2-CD2 3.94Å; L437-W550 HydrophobicContact CD1-CB 3.99Å; L437-W550 HydrophobicContact CD2-CB 4.14Å; L437-W550 HydrophobicContact CD2-CD2 4.07Å; L437-W550 HydrophobicContact CD2-CE3 3.74Å; L437-W550 HydrophobicContact CD2-CG 4.27Å; L437-W550 HydrophobicContact CD2-CZ3 4.39Å; L437-W550 HydrophobicContact CG-CB 4.02Å; L437-W550 HydrophobicContact CG-CD2 4.39Å; L437-W550 HydrophobicContact CG-CE3 3.81Å; L437-F552 HydrophobicContact CB-CE1 4.46Å; L437-F552 HydrophobicContact CD1-CD1 4.23Å; L437-F552 HydrophobicContact CD1-CD2 3.35Å; L437-F552 HydrophobicContact CD1-CE1 4.24Å; L437-F552 HydrophobicContact CD1-CE2 3.41Å; L437-F552 VanDerWaalsContact CD1-CE2 3.41Å; L437-F552 HydrophobicContact CD1-CG 3.82Å; L437-F552 HydrophobicContact CD1-CZ 3.86Å
438	Q	95.8	Very high	90.2	Very high	66 Å²	66	40.5 Å²	40.5	31%	0.308	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.3	-167.3	-59.5	-176.7	-50.3	0	0	112.8	A436 N442 W550 K551 T553	A436-Q438 HydrophobicContact CB-CG 4.32Å; Q438-N442 WeakPolarHBondContact CA-O 3.44Å; Q438-W550 WeakPolarHBondContact O-CA 3.24Å; Q438-K551 PolarHBondContact N-O 3.44Å; Q438-K551 PolarHBondContact O-N 2.84Å; Q438-T553 HydrophobicContact CG-CG2 4.06Å
439	Q	95.4	Very high	90.9	Very high	35 Å²	35	40.5 Å²	40.5	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	98.1	167.3	-178.4	-172.3	-38.5	0	0	108.9	G441 N442 S529 S547 Q549 W550	Q439-G441 PolarHBondContact O-N 2.97Å; Q439-N442 PolarHBondContact N-O 3.2Å; Q439-N442 PolarHBondContact O-N 2.88Å; Q439-N442 VanDerWaalsContact O-N 3.09Å; Q439-S529 PolarHBondContact NE2-OG 3.2Å; Q439-S529 PolarHBondContact OE1-OG 3.47Å; Q439-S547 PolarHBondContact OE1-O 3.19Å; Q439-Q549 WeakPolarHBondContact CB-O 3.11Å; Q439-Q549 VanDerWaalsContact CG-O 3.23Å; Q439-Q549 WeakPolarHBondContact CG-O 3.33Å; Q439-W550 HydrophobicContact CB-CD2 4.33Å; Q439-W550 HydrophobicContact CB-CE3 3.88Å; Q439-W550 HydrophobicContact CB-CH2 4.44Å; Q439-W550 HydrophobicContact CB-CZ3 3.96Å; Q439-W550 VanDerWaalsContact OE1-CZ2 3.23Å
440	G	91.6	Very high	91.8	Very high	76 Å²	76	40.4 Å²	40.4	78%	0.784	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	-126.9	-173.2	0	0	0	0	0	111.4	N442	G440-N442 VanDerWaalsContact C-N 3.32Å
441	G	90.4	Very high	92.6	Very high	55 Å²	55	37.6 Å²	37.6	57%	0.567	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.9	173.8	0	0	0	0	0	114.8	Q439 C460	Q439-G441 PolarHBondContact O-N 2.97Å; G441-C460 PolarHBondContact O-N 3.02Å
442	N	95.3	Very high	93	Very high	67 Å²	67	42.1 Å²	42.1	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	155.9	-178.3	-61.9	-44.1	0	0	0	111.9	Q438 Q439 G440 V457 Y458 C460	Q438-N442 WeakPolarHBondContact CA-O 3.44Å; Q439-N442 PolarHBondContact N-O 3.2Å; Q439-N442 PolarHBondContact O-N 2.88Å; Q439-N442 VanDerWaalsContact O-N 3.09Å; G440-N442 VanDerWaalsContact C-N 3.32Å; N442-V457 HydrophobicContact CB-CB 4.05Å; N442-V457 HydrophobicContact CB-CG1 4.49Å; N442-Y458 CarbonylContact C-O 3.55Å; N442-Y458 VanDerWaalsContact CA-O 3.26Å; N442-Y458 WeakPolarHBondContact CA-O 3.39Å; N442-C460 PolarHBondContact O-SG 2.5Å
443	C	96.7	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.7	178.8	-81.1	0	0	0	0	110	L437 D445 V457 Y458 C460 Q467	L437-C443 WeakPolarHBondContact O-CA 3.18Å; C443-D445 PolarHBondContact O-N 3.35Å; C443-V457 VanDerWaalsContact O-CA 3.27Å; C443-V457 WeakPolarHBondContact O-CA 3.18Å; C443-Y458 PolarHBondContact N-O 3.13Å; C443-Y458 PolarHBondContact O-N 2.85Å; C443-C460 HydrophobicContact CB-CB 4.1Å; C443-C460 WeakPolarHBondContact CB-SG 3.38Å; C443-C460 PolarHBondContact N-SG 2.84Å; C443-C460 WeakPolarHBondContact SG-CB 3.3Å; C443-C460 CovalentContact SG-SG 2.04Å; C443-C460 PolarHBondContact SG-SG 3.02Å; C443-Q467 HydrophobicContact CB-CB 4.32Å; C443-Q467 HydrophobicContact CB-CG 4.13Å
444	L	97.8	Very high	93.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	128.1	166.8	175.8	66.4	0	0	0	109.3	L437 V455 Q467 W469 V477 L484 L537 W550	L437-L444 HydrophobicContact CB-CB 3.87Å; L437-L444 HydrophobicContact CB-CD2 4.23Å; L437-L444 HydrophobicContact CD2-CB 4.15Å; L437-L444 HydrophobicContact CD2-CD2 3.74Å; L437-L444 HydrophobicContact CG-CB 4.49Å; L437-L444 PolarHBondContact O-N 3.36Å; L444-V455 HydrophobicContact CD1-CB 4.21Å; L444-V455 HydrophobicContact CD1-CG2 4.12Å; L444-Q467 WeakPolarHBondContact O-CA 3.21Å; L444-W469 HydrophobicContact CD1-CZ2 4.31Å; L444-W469 HydrophobicContact CD2-CD2 3.44Å; L444-W469 VanDerWaalsContact CD2-CD2 3.44Å; L444-W469 HydrophobicContact CD2-CE3 3.82Å; L444-W469 HydrophobicContact CD2-CG 3.89Å; L444-W469 HydrophobicContact CD2-CH2 4.04Å; L444-W469 HydrophobicContact CD2-CZ2 3.7Å; L444-W469 HydrophobicContact CD2-CZ3 4.1Å; L444-W469 HydrophobicContact CG-CD2 4.09Å; L444-W469 VanDerWaalsContact CG-CE2 3.46Å; L444-W469 HydrophobicContact CG-CH2 4.25Å; L444-W469 HydrophobicContact CG-CZ2 3.57Å; L444-W469 PolarHBondContact O-NE1 3.36Å; L444-V477 HydrophobicContact CD2-CG1 4.5Å; L444-L484 HydrophobicContact CD2-CD1 3.95Å; L444-L537 HydrophobicContact CD1-CD1 3.23Å; L444-W550 HydrophobicContact CB-CZ3 4.11Å
445	D	97.1	Very high	93.9	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.9	-172.7	-158.3	-61.3	0	0	0	110.6	C443 L447 G456 Y458 N466 Q467	C443-D445 PolarHBondContact O-N 3.35Å; D445-L447 HydrophobicContact CB-CD2 4.08Å; D445-L447 PolarHBondContact O-N 3.04Å; D445-L447 WeakPolarHBondContact OD1-CA 3.4Å; D445-L447 PolarHBondContact OD1-N 2.77Å; D445-G456 PolarHBondContact N-O 2.93Å; D445-G456 PolarHBondContact O-N 2.69Å; D445-Y458 WeakPolarHBondContact OD2-CB 3.46Å; D445-N466 WeakPolarHBondContact CA-O 3.43Å; D445-N466 VanDerWaalsContact OD1-CB 3.31Å; D445-N466 WeakPolarHBondContact OD1-CB 3.43Å; D445-Q467 HydrophobicContact CB-CG 4.25Å; D445-Q467 WeakPolarHBondContact OD2-CG 3.44Å; D445-Q467 PolarHBondContact OD2-NE2 3.36Å
446	T	95.4	Very high	94.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	26%	0.264	C	S	.	.			trans	-68.9	-15.6	173.9	65.4	0	0	0	0	112.7	G448 H449 N466 W469 H479 L497	T446-G448 PolarHBondContact O-N 2.98Å; T446-G448 PolarHBondContact OG1-N 3.13Å; T446-H449 VanDerWaalsContact O-CB 3.3Å; T446-H449 WeakPolarHBondContact O-CB 3.47Å; T446-H449 PolarHBondContact O-N 3.31Å; T446-N466 PolarHBondContact N-O 3.27Å; T446-N466 VanDerWaalsContact N-O 3.14Å; T446-N466 VanDerWaalsContact OG1-CB 3.22Å; T446-N466 WeakPolarHBondContact OG1-CB 3.33Å; T446-N466 PolarHBondContact OG1-OD1 2.82Å; T446-W469 HydrophobicContact CG2-CH2 3.84Å; T446-W469 HydrophobicContact CG2-CZ2 3.61Å; T446-H479 HydrophobicContact CG2-CB 4.31Å; T446-L497 HydrophobicContact CG2-CD1 4.19Å
447	L	93.8	Very high	94.4	Very high	74 Å²	74	43 Å²	43	39%	0.387	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	20.9	-170.9	-51.3	178	0	0	0	112.8	D445 H449	D445-L447 HydrophobicContact CB-CD2 4.08Å; D445-L447 PolarHBondContact O-N 3.04Å; D445-L447 WeakPolarHBondContact OD1-CA 3.4Å; D445-L447 PolarHBondContact OD1-N 2.77Å; L447-H449 PolarHBondContact O-N 2.97Å
448	G	88.8	Confident	94.4	Very high	36 Å²	36	50.1 Å²	50.1	37%	0.371	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	11.7	-172.5	0	0	0	0	0	114	T446 N466	T446-G448 PolarHBondContact O-N 2.98Å; T446-G448 PolarHBondContact OG1-N 3.13Å; G448-N466 PolarHBondContact N-ND2 3Å
449	H	93.4	Very high	94.3	Very high	78 Å²	78	53.6 Å²	53.6	36%	0.361	31%	0.314	S	S	.	.			trans	-79.5	155.5	175.4	-61.3	152.9	0	0	0	112.5	T446 L447 V454	T446-H449 VanDerWaalsContact O-CB 3.3Å; T446-H449 WeakPolarHBondContact O-CB 3.47Å; T446-H449 PolarHBondContact O-N 3.31Å; L447-H449 PolarHBondContact O-N 2.97Å; H449-V454 PolarHBondContact ND1-O 2.68Å
450	F	90.8	Very high	94.1	Very high	166 Å²	166	53.2 Å²	53.2	73%	0.728	32%	0.315	S	S	*	.			trans	-109.4	-159	176.5	-59.3	-79	0	0	0	110.7	G453	F450-G453 WeakPolarHBondContact O-CA 3.14Å; F450-G453 PolarHBondContact O-N 2.82Å
451	A	91.9	Very high	93.8	Very high	57 Å²	57	53.9 Å²	53.9	47%	0.471	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	139.9	175.3	0	0	0	0	0	112.4	G453 L482 L497	A451-G453 PolarHBondContact O-N 2.83Å; A451-G453 VanDerWaalsContact O-N 3.13Å; A451-L482 HydrophobicContact CB-CD2 4.06Å; A451-L497 CarbonylContact C-O 3.55Å; A451-L497 WeakPolarHBondContact CA-O 3.34Å
452	D	92.7	Very high	93.3	Very high	104 Å²	104	55.6 Å²	55.6	56%	0.556	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	2.1	-173.1	-56.6	-47.2	0	0	0	115.9	K496 L497 Q498	D452-K496 WeakPolarHBondContact O-CD 3.28Å; D452-K496 PolarHBondContact O-NZ 3.43Å; D452-L497 PolarHBondContact N-O 2.94Å; D452-Q498 PolarHBondContact OD1-NE2 3.09Å; D452-Q498 VanDerWaalsContact OD1-NE2 3.11Å
453	G	93.6	Very high	92.4	Very high	15 Å²	15	55.7 Å²	55.7	16%	0.155	30%	0.303	C	S	.	.			trans	-72.4	154.1	168.3	0	0	0	0	0	113.4	F450 A451 K496 L497	F450-G453 WeakPolarHBondContact O-CA 3.14Å; F450-G453 PolarHBondContact O-N 2.82Å; A451-G453 PolarHBondContact O-N 2.83Å; A451-G453 VanDerWaalsContact O-N 3.13Å; G453-K496 WeakPolarHBondContact O-CA 3.42Å; G453-K496 WeakPolarHBondContact O-CD 3.4Å; G453-L497 PolarHBondContact O-N 3.33Å
454	V	95.6	Very high	91.8	Very high	24 Å²	24	56.7 Å²	56.7	15%	0.145	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-81.9	158.4	171.2	-62.6	0	0	0	0	110.4	H449 L494 K496 G535	H449-V454 PolarHBondContact ND1-O 2.68Å; V454-L494 HydrophobicContact CG1-CD1 4.21Å; V454-K496 HydrophobicContact CG1-CD 3.98Å; V454-G535 WeakPolarHBondContact CB-O 3.44Å; V454-G535 WeakPolarHBondContact CG2-O 3.31Å
455	V	96.9	Very high	91.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.334	C	S	.	.			trans	-111.5	159.7	170.1	-62.7	0	0	0	0	110.3	L444 W469 L484 I495 L497 G536 L537	L444-V455 HydrophobicContact CD1-CB 4.21Å; L444-V455 HydrophobicContact CD1-CG2 4.12Å; V455-W469 HydrophobicContact CG1-CH2 4.05Å; V455-L484 HydrophobicContact CB-CD2 4.39Å; V455-L484 HydrophobicContact CG1-CD2 3.83Å; V455-L484 HydrophobicContact CG2-CD2 3.87Å; V455-I495 HydrophobicContact CG2-CD1 3.48Å; V455-I495 VanDerWaalsContact CG2-CD1 3.48Å; V455-I495 HydrophobicContact CG2-CG1 3.72Å; V455-L497 HydrophobicContact CG1-CD1 3.87Å; V455-L497 HydrophobicContact CG1-CD2 3.87Å; V455-L497 HydrophobicContact CG1-CG 3.6Å; V455-G536 CarbonylContact O-C 3.5Å; V455-G536 WeakPolarHBondContact O-CA 3.41Å; V455-L537 HydrophobicContact CG2-CB 4.09Å; V455-L537 HydrophobicContact CG2-CD1 4.02Å; V455-L537 HydrophobicContact CG2-CG 4.2Å; V455-L537 PolarHBondContact O-N 3.44Å
456	G	96.9	Very high	91.1	Very high	2 Å²	2	61.4 Å²	61.4	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	-160.6	-176.7	0	0	0	0	0	113	D445	D445-G456 PolarHBondContact N-O 2.93Å; D445-G456 PolarHBondContact O-N 2.69Å
457	V	96.9	Very high	91.1	Very high	36 Å²	36	61.6 Å²	61.6	22%	0.218	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.1	168.3	-71.3	0	0	0	0	109.9	N442 C443 A532 L537 W550	N442-V457 HydrophobicContact CB-CB 4.05Å; N442-V457 HydrophobicContact CB-CG1 4.49Å; C443-V457 VanDerWaalsContact O-CA 3.27Å; C443-V457 WeakPolarHBondContact O-CA 3.18Å; V457-A532 HydrophobicContact CG2-CB 3.85Å; V457-L537 HydrophobicContact CG1-CD2 4.21Å; V457-W550 HydrophobicContact CG1-CH2 3.5Å; V457-W550 VanDerWaalsContact CG1-CH2 3.5Å; V457-W550 HydrophobicContact CG1-CZ3 4.05Å
458	Y	94.7	Very high	91	Very high	151 Å²	151	59.9 Å²	59.9	59%	0.592	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	164.2	169.1	-154.1	-95	0	0	0	109.4	N442 C443 D445 C460	N442-Y458 CarbonylContact C-O 3.55Å; N442-Y458 VanDerWaalsContact CA-O 3.26Å; N442-Y458 WeakPolarHBondContact CA-O 3.39Å; C443-Y458 PolarHBondContact N-O 3.13Å; C443-Y458 PolarHBondContact O-N 2.85Å; D445-Y458 WeakPolarHBondContact OD2-CB 3.46Å; Y458-C460 PolarHBondContact O-N 3.23Å
459	E	94.8	Very high	91.3	Very high	140 Å²	140	58.3 Å²	58.3	65%	0.654	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	133.8	175.8	-172	172.6	-174.5	0	0	109.9	H461 Q467	E459-H461 PolarHBondContact O-N 3.2Å; E459-Q467 PolarHBondContact O-NE2 3.19Å
460	C	90.8	Very high	91.3	Very high	27 Å²	27	54.7 Å²	54.7	18%	0.182	31%	0.306	C	S	.	.			trans	-64.9	119.9	-178.2	-68.1	0	0	0	0	110.6	G441 N442 C443 Y458	G441-C460 PolarHBondContact O-N 3.02Å; N442-C460 PolarHBondContact O-SG 2.5Å; C443-C460 HydrophobicContact CB-CB 4.1Å; C443-C460 WeakPolarHBondContact CB-SG 3.38Å; C443-C460 PolarHBondContact N-SG 2.84Å; C443-C460 WeakPolarHBondContact SG-CB 3.3Å; C443-C460 CovalentContact SG-SG 2.04Å; C443-C460 PolarHBondContact SG-SG 3.02Å; Y458-C460 PolarHBondContact O-N 3.23Å
461	H	84.8	Confident	91.5	Very high	89 Å²	89	46.9 Å²	46.9	41%	0.412	27%	0.272	S	S	.	.			trans	-109.4	-2.5	-177.2	57.7	68.3	0	0	0	114.3	E459 A463 G464 Q467	E459-H461 PolarHBondContact O-N 3.2Å; H461-A463 VanDerWaalsContact ND1-CB 3.33Å; H461-A463 WeakPolarHBondContact ND1-CB 3.02Å; H461-A463 PolarHBondContact ND1-N 2.81Å; H461-A463 PolarHBondContact O-N 2.84Å; H461-G464 PolarHBondContact CE1-O 3.37Å; H461-G464 VanDerWaalsContact CE1-O 3.29Å; H461-Q467 PolarHBondContact CD2-NE2 3.34Å; H461-Q467 PolarHBondContact CD2-OE1 3.34Å; H461-Q467 VanDerWaalsContact N-OE1 3.09Å; H461-Q467 WeakPolarHBondContact NE2-CG 3.28Å; H461-Q467 PolarHBondContact NE2-NE2 3.06Å; H461-Q467 PolarHBondContact NE2-OE1 2.83Å
462	N	80.8	Confident	91.6	Very high	92 Å²	92	44.4 Å²	44.4	49%	0.492	25%	0.251	S	S	.	.	S	Bend	trans	52.2	27.7	176.7	-55.7	-40.4	0	0	0	114.8	K268	K268-N462 PolarHBondContact NZ-O 2.9Å
463	A	76.7	Confident	91.4	Very high	69 Å²	69	45.3 Å²	45.3	57%	0.57	25%	0.25	S	C	*	.	S	Bend	trans	-108.3	12.5	-179.7	0	0	0	0	0	112.5	H461 G465	H461-A463 VanDerWaalsContact ND1-CB 3.33Å; H461-A463 WeakPolarHBondContact ND1-CB 3.02Å; H461-A463 PolarHBondContact ND1-N 2.81Å; H461-A463 PolarHBondContact O-N 2.84Å; A463-G465 PolarHBondContact O-N 2.91Å
464	G	84.4	Confident	91.3	Very high	21 Å²	21	47 Å²	47	22%	0.216	26%	0.255	C	S	.	.			trans	62.7	-125.4	-173.4	0	0	0	0	0	111.4	H461 N466 Q467	H461-G464 PolarHBondContact CE1-O 3.37Å; H461-G464 VanDerWaalsContact CE1-O 3.29Å; G464-N466 PolarHBondContact O-N 2.85Å; G464-Q467 PolarHBondContact O-N 3.28Å
465	G	87.8	Confident	91.3	Very high	42 Å²	42	49.6 Å²	49.6	43%	0.433	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	58.8	-130	177.7	0	0	0	0	0	111.6	A463 Q467 E468 H479	A463-G465 PolarHBondContact O-N 2.91Å; G465-Q467 PolarHBondContact O-N 3.35Å; G465-E468 WeakPolarHBondContact O-CB 3.15Å; G465-E468 PolarHBondContact O-N 2.88Å; G465-E468 VanDerWaalsContact O-N 3.09Å; G465-H479 PolarHBondContact O-CE1 2.82Å
466	N	91.8	Very high	91.2	Very high	65 Å²	65	49.8 Å²	49.8	35%	0.348	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-61.3	-13.7	-178.4	-65.3	-7.4	0	0	0	114.7	D445 T446 G448 G464	D445-N466 WeakPolarHBondContact CA-O 3.43Å; D445-N466 VanDerWaalsContact OD1-CB 3.31Å; D445-N466 WeakPolarHBondContact OD1-CB 3.43Å; T446-N466 PolarHBondContact N-O 3.27Å; T446-N466 VanDerWaalsContact N-O 3.14Å; T446-N466 VanDerWaalsContact OG1-CB 3.22Å; T446-N466 WeakPolarHBondContact OG1-CB 3.33Å; T446-N466 PolarHBondContact OG1-OD1 2.82Å; G448-N466 PolarHBondContact N-ND2 3Å; G464-N466 PolarHBondContact O-N 2.85Å
467	Q	94.9	Very high	91.2	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.023	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-103.2	9.7	-179.9	-62.6	-174.4	-4.6	0	0	113.4	A436 C443 L444 D445 E459 H461 G464 G465 W469	A436-Q467 WeakPolarHBondContact CA-O 3.42Å; C443-Q467 HydrophobicContact CB-CB 4.32Å; C443-Q467 HydrophobicContact CB-CG 4.13Å; L444-Q467 WeakPolarHBondContact O-CA 3.21Å; D445-Q467 HydrophobicContact CB-CG 4.25Å; D445-Q467 WeakPolarHBondContact OD2-CG 3.44Å; D445-Q467 PolarHBondContact OD2-NE2 3.36Å; E459-Q467 PolarHBondContact O-NE2 3.19Å; H461-Q467 PolarHBondContact CD2-NE2 3.34Å; H461-Q467 PolarHBondContact CD2-OE1 3.34Å; H461-Q467 VanDerWaalsContact N-OE1 3.09Å; H461-Q467 WeakPolarHBondContact NE2-CG 3.28Å; H461-Q467 PolarHBondContact NE2-NE2 3.06Å; H461-Q467 PolarHBondContact NE2-OE1 2.83Å; G464-Q467 PolarHBondContact O-N 3.28Å; G465-Q467 PolarHBondContact O-N 3.35Å; Q467-W469 VanDerWaalsContact C-CD1 3.46Å; Q467-W469 VanDerWaalsContact O-CD1 3.31Å
468	E	91.4	Very high	91.1	Very high	38 Å²	38	49.9 Å²	49.9	18%	0.178	26%	0.263	C	S	.	.			trans	-97.9	121.9	179.8	-171.1	176.8	69.9	0	0	111.9	R425 F434 G465 H479	R425-E468 WeakPolarHBondContact CD-OE1 3.37Å; R425-E468 WeakPolarHBondContact CD-OE2 3.32Å; R425-E468 IonicContact CZ-OE1 3.92Å; R425-E468 IonicContact NE-OE1 3.26Å; R425-E468 IonicContact NH1-OE1 2.74Å; R425-E468 PolarHBondContact NH1-OE1 3.37Å; F434-E468 HydrophobicContact CZ-CG 4.17Å; G465-E468 WeakPolarHBondContact O-CB 3.15Å; G465-E468 PolarHBondContact O-N 2.88Å; G465-E468 VanDerWaalsContact O-N 3.09Å; E468-H479 PolarHBondContact O-ND1 3.06Å
469	W	95.4	Very high	90.9	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.5	-173.7	-59.1	87.3	0	0	0	111.5	F434 G435 L444 T446 V455 Q467 V477 K478 H479 L484 L497 F552	F434-W469 CarbonylContact C-O 3.52Å; G435-W469 PolarHBondContact N-O 3.07Å; G435-W469 WeakPolarHBondContact O-CA 3.3Å; G435-W469 PolarHBondContact O-N 2.88Å; L444-W469 HydrophobicContact CD1-CZ2 4.31Å; L444-W469 HydrophobicContact CD2-CD2 3.44Å; L444-W469 VanDerWaalsContact CD2-CD2 3.44Å; L444-W469 HydrophobicContact CD2-CE3 3.82Å; L444-W469 HydrophobicContact CD2-CG 3.89Å; L444-W469 HydrophobicContact CD2-CH2 4.04Å; L444-W469 HydrophobicContact CD2-CZ2 3.7Å; L444-W469 HydrophobicContact CD2-CZ3 4.1Å; L444-W469 HydrophobicContact CG-CD2 4.09Å; L444-W469 VanDerWaalsContact CG-CE2 3.46Å; L444-W469 HydrophobicContact CG-CH2 4.25Å; L444-W469 HydrophobicContact CG-CZ2 3.57Å; L444-W469 PolarHBondContact O-NE1 3.36Å; T446-W469 HydrophobicContact CG2-CH2 3.84Å; T446-W469 HydrophobicContact CG2-CZ2 3.61Å; V455-W469 HydrophobicContact CG1-CH2 4.05Å; Q467-W469 VanDerWaalsContact C-CD1 3.46Å; Q467-W469 VanDerWaalsContact O-CD1 3.31Å; W469-V477 HydrophobicContact CE3-CG1 3.94Å; W469-K478 CarbonylContact C-O 3.47Å; W469-K478 VanDerWaalsContact CA-O 3.3Å; W469-K478 WeakPolarHBondContact CA-O 3.22Å; W469-H479 HydrophobicContact CD2-CB 4Å; W469-H479 HydrophobicContact CE3-CB 3.58Å; W469-H479 HydrophobicContact CH2-CB 3.87Å; W469-H479 HydrophobicContact CZ2-CB 4.23Å; W469-H479 HydrophobicContact CZ3-CB 3.52Å; W469-L484 HydrophobicContact CH2-CD2 3.76Å; W469-L484 HydrophobicContact CZ3-CD2 3.61Å; W469-L484 HydrophobicContact CZ3-CG 3.95Å; W469-L497 HydrophobicContact CH2-CD2 3.95Å; W469-L497 HydrophobicContact CZ3-CD2 4.15Å; W469-F552 HydrophobicContact CB-CE1 4.05Å
470	A	93.7	Very high	90.6	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.1	168.6	0	0	0	0	0	110.5	A433 F434 V477 K478	A433-A470 CarbonylContact O-C 3.14Å; A433-A470 WeakPolarHBondContact O-CA 3.34Å; F434-A470 HydrophobicContact CD2-CB 3.79Å; F434-A470 HydrophobicContact CE2-CB 4.41Å; A470-V477 CarbonylContact O-C 3.49Å; A470-V477 WeakPolarHBondContact O-CA 3.19Å; A470-K478 HydrophobicContact CB-CG 4Å; A470-K478 PolarHBondContact N-O 2.9Å; A470-K478 PolarHBondContact O-N 2.04Å
471	L	95.9	Very high	90.5	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.6	162.7	178.2	64.9	0	0	0	107.5	D431 I432 A433 S476 V477 Q511 F552	D431-L471 CarbonylContact C-O 3.58Å; I432-L471 WeakPolarHBondContact CA-O 3.5Å; I432-L471 HydrophobicContact CB-CD2 4.26Å; I432-L471 HydrophobicContact CB-CG 4.17Å; I432-L471 WeakPolarHBondContact CB-O 3.37Å; I432-L471 HydrophobicContact CG2-CD2 4.09Å; I432-L471 PolarHBondContact N-O 3.14Å; A433-L471 HydrophobicContact CB-CB 4.02Å; A433-L471 PolarHBondContact N-O 3.39Å; A433-L471 VanDerWaalsContact N-O 3.1Å; A433-L471 PolarHBondContact O-N 3.41Å; L471-S476 WeakPolarHBondContact CA-O 3.29Å; L471-V477 HydrophobicContact CD1-CG2 3.86Å; L471-Q511 HydrophobicContact CD2-CG 3.8Å; L471-F552 HydrophobicContact CB-CE1 4.48Å; L471-F552 HydrophobicContact CB-CE2 3.8Å; L471-F552 HydrophobicContact CB-CZ 3.73Å; L471-F552 HydrophobicContact CD2-CE2 4.43Å
472	T	92	Very high	91	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	168.4	-174.9	58.4	0	0	0	0	113.3	Q430 I432 D474 K475 S476 K478	Q430-T472 CarbonylContact O-C 3.56Å; I432-T472 WeakPolarHBondContact CD1-O 3.2Å; T472-D474 VanDerWaalsContact C-N 3.26Å; T472-D474 WeakPolarHBondContact CB-OD1 3.38Å; T472-D474 PolarHBondContact O-N 3.3Å; T472-D474 PolarHBondContact OG1-OD1 2.95Å; T472-K475 WeakPolarHBondContact O-CA 3.47Å; T472-K475 PolarHBondContact O-N 3.04Å; T472-S476 PolarHBondContact N-O 3.1Å; T472-S476 PolarHBondContact OG1-N 3.44Å; T472-S476 PolarHBondContact OG1-O 3.21Å; T472-S476 PolarHBondContact OG1-OG 2.92Å; T472-K478 HydrophobicContact CG2-CD 3.56Å; T472-K478 HydrophobicContact CG2-CG 4.12Å; T472-K478 VanDerWaalsContact CG2-NZ 3.33Å
473	K	89.4	Confident	91.8	Very high	122 Å²	122	38.9 Å²	38.9	53%	0.53	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31	171.4	-84.2	175.2	-173	164	0	113.3	H429 Q430 I432 K475	H429-K473 WeakPolarHBondContact O-CE 3.31Å; H429-K473 PolarHBondContact O-NZ 2.86Å; Q430-K473 HydrophobicContact CB-CD 4.48Å; Q430-K473 WeakPolarHBondContact O-CB 3.38Å; Q430-K473 VanDerWaalsContact O-CG 3.23Å; Q430-K473 WeakPolarHBondContact O-CG 3.21Å; Q430-K473 PolarHBondContact O-N 3.17Å; I432-K473 HydrophobicContact CG1-CG 4.32Å; K473-K475 PolarHBondContact O-N 3.13Å; K473-K475 VanDerWaalsContact O-N 3.16Å
474	D	91.1	Very high	92.8	Very high	50 Å²	50	35.6 Å²	35.6	27%	0.267	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	9.5	171.5	84	-59.2	0	0	0	112.6	T472 S476 K508	T472-D474 VanDerWaalsContact C-N 3.26Å; T472-D474 WeakPolarHBondContact CB-OD1 3.38Å; T472-D474 PolarHBondContact O-N 3.3Å; T472-D474 PolarHBondContact OG1-OD1 2.95Å; D474-S476 VanDerWaalsContact C-N 3.29Å; D474-S476 PolarHBondContact O-N 3.31Å; D474-S476 PolarHBondContact OD1-OG 3.5Å; D474-S476 PolarHBondContact OD2-OG 3.13Å; D474-K508 WeakPolarHBondContact O-CD 3.45Å; D474-K508 WeakPolarHBondContact O-CE 3.47Å; D474-K508 PolarHBondContact O-NZ 2.94Å; D474-K508 IonicContact OD2-NZ 3.17Å; D474-K508 PolarHBondContact OD2-NZ 3.28Å
475	K	95.2	Very high	93.4	Very high	80 Å²	80	34.6 Å²	34.6	35%	0.348	18%	0.18	S	C	.	.			trans	64.1	25.9	178.2	-60.9	-168	177.4	-167.9	0	113.7	T472 K473 K508 W509 E510 V521	T472-K475 WeakPolarHBondContact O-CA 3.47Å; T472-K475 PolarHBondContact O-N 3.04Å; K473-K475 PolarHBondContact O-N 3.13Å; K473-K475 VanDerWaalsContact O-N 3.16Å; K475-K508 HydrophobicContact CB-CB 4.48Å; K475-K508 HydrophobicContact CB-CD 4.3Å; K475-K508 CarbonylContact O-C 3.57Å; K475-K508 VanDerWaalsContact O-CA 3.3Å; K475-K508 WeakPolarHBondContact O-CA 3.32Å; K475-W509 WeakPolarHBondContact CB-O 3.39Å; K475-W509 PolarHBondContact O-N 2.92Å; K475-E510 IonicContact NZ-OE2 3.04Å; K475-E510 PolarHBondContact NZ-OE2 2.93Å; K475-V521 HydrophobicContact CD-CG2 3.87Å
476	S	95.8	Very high	93.9	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-95.4	143.2	175.7	66.6	0	0	0	0	111.7	L471 T472 D474 C483 Q507	L471-S476 WeakPolarHBondContact CA-O 3.29Å; T472-S476 PolarHBondContact N-O 3.1Å; T472-S476 PolarHBondContact OG1-N 3.44Å; T472-S476 PolarHBondContact OG1-O 3.21Å; T472-S476 PolarHBondContact OG1-OG 2.92Å; D474-S476 VanDerWaalsContact C-N 3.29Å; D474-S476 PolarHBondContact O-N 3.31Å; D474-S476 PolarHBondContact OD1-OG 3.5Å; D474-S476 PolarHBondContact OD2-OG 3.13Å; S476-C483 VanDerWaalsContact CB-SG 3.58Å; S476-Q507 WeakPolarHBondContact CA-O 3.5Å
477	V	97.3	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	100.9	170.7	178.8	0	0	0	0	107.1	L444 W469 A470 L471 C483 L484 W509 L518 F552	L444-V477 HydrophobicContact CD2-CG1 4.5Å; W469-V477 HydrophobicContact CE3-CG1 3.94Å; A470-V477 CarbonylContact O-C 3.49Å; A470-V477 WeakPolarHBondContact O-CA 3.19Å; L471-V477 HydrophobicContact CD1-CG2 3.86Å; V477-C483 WeakPolarHBondContact O-CA 3.27Å; V477-L484 HydrophobicContact CB-CB 4.3Å; V477-L484 HydrophobicContact CB-CD1 4Å; V477-L484 HydrophobicContact CB-CG 4.06Å; V477-L484 HydrophobicContact CG1-CD1 3.66Å; V477-L484 HydrophobicContact CG1-CG 3.92Å; V477-L484 PolarHBondContact O-N 3.31Å; V477-W509 HydrophobicContact CG2-CB 3.76Å; V477-W509 HydrophobicContact CG2-CG 3.82Å; V477-L518 HydrophobicContact CG2-CD1 4.24Å; V477-F552 HydrophobicContact CG1-CZ 4.34Å
478	K	93.9	Very high	94.1	Very high	41 Å²	41	35.7 Å²	35.7	18%	0.178	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.5	-169.9	76.9	-178.4	-175.7	-146	0	112.8	D431 W469 A470 T472 L482	D431-K478 IonicContact OD1-NZ 2.89Å; D431-K478 PolarHBondContact OD1-NZ 3.31Å; W469-K478 CarbonylContact C-O 3.47Å; W469-K478 VanDerWaalsContact CA-O 3.3Å; W469-K478 WeakPolarHBondContact CA-O 3.22Å; A470-K478 HydrophobicContact CB-CG 4Å; A470-K478 PolarHBondContact N-O 2.9Å; A470-K478 PolarHBondContact O-N 2.04Å; T472-K478 HydrophobicContact CG2-CD 3.56Å; T472-K478 HydrophobicContact CG2-CG 4.12Å; T472-K478 VanDerWaalsContact CG2-NZ 3.33Å; K478-L482 CarbonylContact C-O 3.47Å; K478-L482 VanDerWaalsContact CA-O 3.29Å; K478-L482 WeakPolarHBondContact CA-O 3.45Å
479	H	91.7	Very high	94.2	Very high	15 Å²	15	40 Å²	40	7%	0.069	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.3	162.4	171	80.7	0	0	0	107.3	T446 G465 E468 W469 D481 L482	T446-H479 HydrophobicContact CG2-CB 4.31Å; G465-H479 PolarHBondContact O-CE1 2.82Å; E468-H479 PolarHBondContact O-ND1 3.06Å; W469-H479 HydrophobicContact CD2-CB 4Å; W469-H479 HydrophobicContact CE3-CB 3.58Å; W469-H479 HydrophobicContact CH2-CB 3.87Å; W469-H479 HydrophobicContact CZ2-CB 4.23Å; W469-H479 HydrophobicContact CZ3-CB 3.52Å; H479-D481 PolarHBondContact O-N 2.9Å; H479-L482 PolarHBondContact N-O 3.36Å; H479-L482 PolarHBondContact O-N 3.09Å; H479-L482 VanDerWaalsContact O-O 3.13Å
480	M	87.4	Confident	94.2	Very high	121 Å²	121	45.1 Å²	45.1	60%	0.596	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	-117.6	-168.6	-57.9	-173.3	-178.9	0	0	111.6
481	D	88.7	Confident	94.3	Very high	114 Å²	114	47.2 Å²	47.2	61%	0.61	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	6	177.3	64.1	-33.7	0	0	0	113.2	H479 G499 C500	H479-D481 PolarHBondContact O-N 2.9Å; D481-G499 WeakPolarHBondContact O-CA 3.48Å; D481-C500 PolarHBondContact O-N 2.73Å; D481-C500 PolarHBondContact O-SG 3.15Å; D481-C500 VanDerWaalsContact O-SG 3.4Å
482	L	95.1	Very high	94.2	Very high	18 Å²	18	48.7 Å²	48.7	9%	0.094	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.4	179.7	-59.5	175.5	0	0	0	111.6	A451 K478 H479 L497 Q498	A451-L482 HydrophobicContact CB-CD2 4.06Å; K478-L482 CarbonylContact C-O 3.47Å; K478-L482 VanDerWaalsContact CA-O 3.29Å; K478-L482 WeakPolarHBondContact CA-O 3.45Å; H479-L482 PolarHBondContact N-O 3.36Å; H479-L482 PolarHBondContact O-N 3.09Å; H479-L482 VanDerWaalsContact O-O 3.13Å; L482-L497 HydrophobicContact CB-CB 4.29Å; L482-L497 HydrophobicContact CB-CD2 3.99Å; L482-L497 HydrophobicContact CD1-CB 4.24Å; L482-L497 HydrophobicContact CD1-CD1 4.22Å; L482-Q498 CarbonylContact C-O 3.5Å; L482-Q498 WeakPolarHBondContact CA-O 3.41Å
483	C	97.5	Very high	94.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143	-177.6	-80.3	0	0	0	0	111.4	S476 V477 T485 Q498 C500 Q507	S476-C483 VanDerWaalsContact CB-SG 3.58Å; V477-C483 WeakPolarHBondContact O-CA 3.27Å; C483-T485 PolarHBondContact O-N 3Å; C483-T485 PolarHBondContact O-OG1 3.49Å; C483-Q498 PolarHBondContact N-O 2.8Å; C483-Q498 PolarHBondContact O-N 2.9Å; C483-Q498 VanDerWaalsContact O-N 3.15Å; C483-C500 HydrophobicContact CB-CB 4.06Å; C483-C500 WeakPolarHBondContact CB-SG 3.31Å; C483-C500 PolarHBondContact N-SG 3.21Å; C483-C500 WeakPolarHBondContact SG-CB 3.23Å; C483-C500 CovalentContact SG-SG 2.04Å; C483-C500 PolarHBondContact SG-SG 3.24Å; C483-Q507 HydrophobicContact CB-CB 4.39Å; C483-Q507 HydrophobicContact CB-CG 4.24Å
484	L	98	Very high	94.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	118.3	170.7	-63.5	-169.9	0	0	0	109.7	L444 V455 W469 V477 I495 L497 W509	L444-L484 HydrophobicContact CD2-CD1 3.95Å; V455-L484 HydrophobicContact CB-CD2 4.39Å; V455-L484 HydrophobicContact CG1-CD2 3.83Å; V455-L484 HydrophobicContact CG2-CD2 3.87Å; W469-L484 HydrophobicContact CH2-CD2 3.76Å; W469-L484 HydrophobicContact CZ3-CD2 3.61Å; W469-L484 HydrophobicContact CZ3-CG 3.95Å; V477-L484 HydrophobicContact CB-CB 4.3Å; V477-L484 HydrophobicContact CB-CD1 4Å; V477-L484 HydrophobicContact CB-CG 4.06Å; V477-L484 HydrophobicContact CG1-CD1 3.66Å; V477-L484 HydrophobicContact CG1-CG 3.92Å; V477-L484 PolarHBondContact O-N 3.31Å; L484-I495 HydrophobicContact CB-CD1 4.42Å; L484-I495 HydrophobicContact CD1-CD1 4.06Å; L484-I495 HydrophobicContact CD2-CD1 4.06Å; L484-I495 HydrophobicContact CG-CD1 4.41Å; L484-L497 HydrophobicContact CD2-CD2 4.12Å; L484-W509 HydrophobicContact CB-CZ2 4.19Å; L484-W509 PolarHBondContact O-NE1 2.83Å
485	T	98.3	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.7	-172.7	-50.9	0	0	0	0	110.8	C483 V487 K496 Q498 R506 Q507	C483-T485 PolarHBondContact O-N 3Å; C483-T485 PolarHBondContact O-OG1 3.49Å; T485-V487 HydrophobicContact CG2-CG1 4.28Å; T485-V487 PolarHBondContact O-N 2.71Å; T485-V487 VanDerWaalsContact O-N 3.13Å; T485-K496 WeakPolarHBondContact CB-O 3.46Å; T485-K496 PolarHBondContact N-O 3.17Å; T485-K496 PolarHBondContact O-N 3.34Å; T485-K496 VanDerWaalsContact O-N 3.09Å; T485-Q498 HydrophobicContact CG2-CG 4.28Å; T485-Q498 WeakPolarHBondContact OG1-CB 3.41Å; T485-R506 HydrophobicContact CG2-CB 3.85Å; T485-Q507 HydrophobicContact CG2-CG 3.9Å; T485-Q507 WeakPolarHBondContact OG1-CG 3.12Å; T485-Q507 PolarHBondContact OG1-NE2 2.87Å
486	V	97.8	Very high	95.1	Very high	2 Å²	2	43 Å²	43	1%	0.012	23%	0.229	C	C	.	.			trans	-80.3	88.8	171.9	-176.4	0	0	0	0	108.6	D488 R489 I495 R506 W509 H520 V539	V486-D488 VanDerWaalsContact C-N 3.3Å; V486-D488 WeakPolarHBondContact CG1-O 3.23Å; V486-R489 HydrophobicContact CG1-CG 4.14Å; V486-I495 HydrophobicContact CG2-CG2 4.34Å; V486-R506 PolarHBondContact N-O 3.46Å; V486-R506 WeakPolarHBondContact O-CB 3.12Å; V486-W509 HydrophobicContact CG2-CH2 3.72Å; V486-W509 HydrophobicContact CG2-CZ2 3.47Å; V486-W509 VanDerWaalsContact CG2-CZ2 3.47Å; V486-H520 HydrophobicContact CG2-CB 4.18Å; V486-H520 WeakPolarHBondContact CG2-CD2 3.39Å; V486-V539 HydrophobicContact CB-CG1 4.45Å; V486-V539 HydrophobicContact CG1-CG1 3.99Å; V486-V539 HydrophobicContact CG1-CG2 4.06Å; V486-V539 HydrophobicContact CG2-CG1 3.64Å
487	V	95.6	Very high	95.2	Very high	60 Å²	60	42.8 Å²	42.8	36%	0.364	23%	0.228	S	C	.	.	S	Bend	trans	-70.6	-27.8	-178.3	-65.5	0	0	0	0	112.7	T485 L494 K496	T485-V487 HydrophobicContact CG2-CG1 4.28Å; T485-V487 PolarHBondContact O-N 2.71Å; T485-V487 VanDerWaalsContact O-N 3.13Å; V487-L494 WeakPolarHBondContact CG2-O 3.12Å; V487-K496 HydrophobicContact CB-CG 4.49Å; V487-K496 HydrophobicContact CG1-CB 3.81Å; V487-K496 HydrophobicContact CG1-CG 3.81Å; V487-K496 HydrophobicContact CG2-CG 3.84Å
488	D	94	Very high	95.2	Very high	72 Å²	72	44.7 Å²	44.7	39%	0.385	24%	0.237	S	C	.	.			trans	-138.5	137.3	174.8	-170.3	-15.8	0	0	0	109.2	V486 I490	V486-D488 VanDerWaalsContact C-N 3.3Å; V486-D488 WeakPolarHBondContact CG1-O 3.23Å; D488-I490 VanDerWaalsContact OD1-CG1 3.28Å; D488-I490 WeakPolarHBondContact OD1-CG1 3.21Å; D488-I490 PolarHBondContact OD1-N 3.19Å
489	R	94	Very high	95.2	Very high	128 Å²	128	44.4 Å²	44.4	48%	0.483	25%	0.245	S	C	.	.			trans	-93.2	5.1	-178.4	-65.6	-174.2	177.2	-165.3	-0.2	112.9	V486 L525	V486-R489 HydrophobicContact CG1-CG 4.14Å; R489-L525 HydrophobicContact CB-CD1 4.19Å; R489-L525 WeakPolarHBondContact O-CD1 3.44Å
490	I	95.4	Very high	95.3	Very high	111 Å²	111	46 Å²	46	57%	0.569	26%	0.258	S	S	*	.	S	Bend	trans	-71.6	131.7	171.6	-63.6	168.5	0	0	0	109	D488 G492 S493	D488-I490 VanDerWaalsContact OD1-CG1 3.28Å; D488-I490 WeakPolarHBondContact OD1-CG1 3.21Å; D488-I490 PolarHBondContact OD1-N 3.19Å; I490-G492 PolarHBondContact O-N 3.06Å; I490-S493 WeakPolarHBondContact O-CB 3.18Å; I490-S493 PolarHBondContact O-N 3.37Å; I490-S493 PolarHBondContact O-OG 3.2Å
491	A	95.6	Very high	95.6	Very high	47 Å²	47	48.6 Å²	48.6	39%	0.388	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	133.1	176	0	0	0	0	0	111.1	V541	A491-V541 HydrophobicContact CB-CG2 4.09Å
492	G	94.4	Very high	95.5	Very high	33 Å²	33	50.1 Å²	50.1	34%	0.34	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-3.4	-172.7	0	0	0	0	0	114.4	I490 T538 V539	I490-G492 PolarHBondContact O-N 3.06Å; G492-T538 VanDerWaalsContact O-CG2 3.22Å; G492-T538 WeakPolarHBondContact O-CG2 3.48Å; G492-V539 PolarHBondContact N-O 2.95Å
493	S	96.4	Very high	95.4	Very high	18 Å²	18	57 Å²	57	13%	0.126	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-70.5	139.3	178	-61.7	0	0	0	0	112.2	I490 T538 V539	I490-S493 WeakPolarHBondContact O-CB 3.18Å; I490-S493 PolarHBondContact O-N 3.37Å; I490-S493 PolarHBondContact O-OG 3.2Å; S493-T538 CarbonylContact O-C 3.56Å; S493-T538 WeakPolarHBondContact O-CA 3.36Å; S493-T538 VanDerWaalsContact O-CB 3.28Å; S493-T538 WeakPolarHBondContact O-CB 3.34Å; S493-V539 PolarHBondContact O-N 3.27Å
494	L	96.9	Very high	95.3	Very high	63 Å²	63	57.9 Å²	57.9	33%	0.33	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-68.1	138.4	175.6	-69.4	168.5	0	0	0	110.9	V454 V487 L537 T538	V454-L494 HydrophobicContact CG1-CD1 4.21Å; V487-L494 WeakPolarHBondContact CG2-O 3.12Å; L494-L537 WeakPolarHBondContact CA-O 3.15Å; L494-T538 HydrophobicContact CD2-CG2 3.82Å; L494-T538 HydrophobicContact CG-CG2 4.38Å
495	I	96.6	Very high	95.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-86.3	154.5	167.8	58.9	162.5	0	0	0	110.8	V455 L484 V486 W509 L527 L537 V539	V455-I495 HydrophobicContact CG2-CD1 3.48Å; V455-I495 VanDerWaalsContact CG2-CD1 3.48Å; V455-I495 HydrophobicContact CG2-CG1 3.72Å; L484-I495 HydrophobicContact CB-CD1 4.42Å; L484-I495 HydrophobicContact CD1-CD1 4.06Å; L484-I495 HydrophobicContact CD2-CD1 4.06Å; L484-I495 HydrophobicContact CG-CD1 4.41Å; V486-I495 HydrophobicContact CG2-CG2 4.34Å; I495-W509 HydrophobicContact CG2-CH2 4.26Å; I495-W509 HydrophobicContact CG2-CZ2 4.35Å; I495-L527 HydrophobicContact CD1-CD1 3.4Å; I495-L527 VanDerWaalsContact CD1-CD1 3.4Å; I495-L527 HydrophobicContact CG1-CD1 4.4Å; I495-L537 HydrophobicContact CD1-CB 4.07Å; I495-L537 HydrophobicContact CG1-CB 4Å; I495-L537 WeakPolarHBondContact CG1-O 3.23Å; I495-L537 PolarHBondContact N-O 2.98Å; I495-V539 HydrophobicContact CG2-CG1 3.74Å
496	K	97.3	Very high	95.2	Very high	56 Å²	56	64.9 Å²	64.9	24%	0.243	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.4	-177.1	-61.7	-63.3	-162.8	154.5	0	111.5	D452 G453 V454 T485 V487	D452-K496 WeakPolarHBondContact O-CD 3.28Å; D452-K496 PolarHBondContact O-NZ 3.43Å; G453-K496 WeakPolarHBondContact O-CA 3.42Å; G453-K496 WeakPolarHBondContact O-CD 3.4Å; V454-K496 HydrophobicContact CG1-CD 3.98Å; T485-K496 WeakPolarHBondContact CB-O 3.46Å; T485-K496 PolarHBondContact N-O 3.17Å; T485-K496 PolarHBondContact O-N 3.34Å; T485-K496 VanDerWaalsContact O-N 3.09Å; V487-K496 HydrophobicContact CB-CG 4.49Å; V487-K496 HydrophobicContact CG1-CB 3.81Å; V487-K496 HydrophobicContact CG1-CG 3.81Å; V487-K496 HydrophobicContact CG2-CG 3.84Å
497	L	97.1	Very high	95.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.4	163.6	-71.6	170.9	0	0	0	109.3	T446 A451 D452 G453 V455 W469 L482 L484	T446-L497 HydrophobicContact CG2-CD1 4.19Å; A451-L497 CarbonylContact C-O 3.55Å; A451-L497 WeakPolarHBondContact CA-O 3.34Å; D452-L497 PolarHBondContact N-O 2.94Å; G453-L497 PolarHBondContact O-N 3.33Å; V455-L497 HydrophobicContact CG1-CD1 3.87Å; V455-L497 HydrophobicContact CG1-CD2 3.87Å; V455-L497 HydrophobicContact CG1-CG 3.6Å; W469-L497 HydrophobicContact CH2-CD2 3.95Å; W469-L497 HydrophobicContact CZ3-CD2 4.15Å; L482-L497 HydrophobicContact CB-CB 4.29Å; L482-L497 HydrophobicContact CB-CD2 3.99Å; L482-L497 HydrophobicContact CD1-CB 4.24Å; L482-L497 HydrophobicContact CD1-CD1 4.22Å; L484-L497 HydrophobicContact CD2-CD2 4.12Å
498	Q	96.9	Very high	95.3	Very high	40 Å²	40	63.1 Å²	63.1	19%	0.187	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.7	167.5	-59.8	-162.6	-36.9	0	0	109.4	D452 L482 C483 T485 C500 R506	D452-Q498 PolarHBondContact OD1-NE2 3.09Å; D452-Q498 VanDerWaalsContact OD1-NE2 3.11Å; L482-Q498 CarbonylContact C-O 3.5Å; L482-Q498 WeakPolarHBondContact CA-O 3.41Å; C483-Q498 PolarHBondContact N-O 2.8Å; C483-Q498 PolarHBondContact O-N 2.9Å; C483-Q498 VanDerWaalsContact O-N 3.15Å; T485-Q498 HydrophobicContact CG2-CG 4.28Å; T485-Q498 WeakPolarHBondContact OG1-CB 3.41Å; Q498-C500 PolarHBondContact O-N 3.11Å; Q498-R506 VanDerWaalsContact OE1-NH2 3.12Å
499	G	94.5	Very high	95.5	Very high	34 Å²	34	59.8 Å²	59.8	35%	0.351	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	133.5	174.3	0	0	0	0	0	111.3	D481 R501 Q507	D481-G499 WeakPolarHBondContact O-CA 3.48Å; G499-R501 PolarHBondContact O-N 3.13Å; G499-Q507 PolarHBondContact O-NE2 2.95Å
500	C	93.3	Very high	95.6	Very high	50 Å²	50	55.7 Å²	55.7	34%	0.338	30%	0.299	S	S	.	.			trans	-64.1	130.4	-178	-66.4	0	0	0	0	111.3	D481 C483 Q498	D481-C500 PolarHBondContact O-N 2.73Å; D481-C500 PolarHBondContact O-SG 3.15Å; D481-C500 VanDerWaalsContact O-SG 3.4Å; C483-C500 HydrophobicContact CB-CB 4.06Å; C483-C500 WeakPolarHBondContact CB-SG 3.31Å; C483-C500 PolarHBondContact N-SG 3.21Å; C483-C500 WeakPolarHBondContact SG-CB 3.23Å; C483-C500 CovalentContact SG-SG 2.04Å; C483-C500 PolarHBondContact SG-SG 3.24Å; Q498-C500 PolarHBondContact O-N 3.11Å
501	R	93.6	Very high	95.6	Very high	174 Å²	174	52 Å²	52	66%	0.657	28%	0.279	S	S	*	.			trans	-134.8	119.4	177.6	-66.3	178.8	-172.2	-170	2	109.4	G499 N503 D504 Q507	G499-R501 PolarHBondContact O-N 3.13Å; R501-N503 PolarHBondContact O-N 2.91Å; R501-N503 VanDerWaalsContact O-N 3.13Å; R501-D504 HydrophobicContact CB-CB 3.86Å; R501-D504 PolarHBondContact O-N 3.35Å; R501-Q507 PolarHBondContact O-OE1 3.18Å
502	E	87.8	Confident	95.5	Very high	146 Å²	146	51.2 Å²	51.2	68%	0.682	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.9	-175.7	-68.4	-175.4	173	0	0	113.1	K508	E502-K508 WeakPolarHBondContact O-CE 3.47Å; E502-K508 PolarHBondContact O-NZ 3.29Å
503	N	92.1	Very high	95.3	Very high	163 Å²	163	54.9 Å²	54.9	87%	0.872	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	3.6	-177.6	-64.7	-24.7	0	0	0	114.1	R501 S505	R501-N503 PolarHBondContact O-N 2.91Å; R501-N503 VanDerWaalsContact O-N 3.13Å; N503-S505 PolarHBondContact O-N 2.96Å
504	D	96.2	Very high	94.9	Very high	18 Å²	18	60 Å²	60	10%	0.096	31%	0.312	C	S	.	.			trans	-84.7	103.6	179.6	-166.8	-16.7	0	0	0	111.4	R501 R506 Q507 K508	R501-D504 HydrophobicContact CB-CB 3.86Å; R501-D504 PolarHBondContact O-N 3.35Å; D504-R506 PolarHBondContact O-N 3.06Å; D504-R506 VanDerWaalsContact O-N 3.11Å; D504-R506 WeakPolarHBondContact OD1-CB 3.36Å; D504-R506 WeakPolarHBondContact OD1-CG 3.38Å; D504-R506 IonicContact OD1-CZ 3.36Å; D504-R506 PolarHBondContact OD1-N 2.77Å; D504-R506 IonicContact OD1-NE 3.45Å; D504-R506 PolarHBondContact OD1-NE 3.18Å; D504-R506 IonicContact OD1-NH2 2.73Å; D504-R506 IonicContact OD2-CZ 3.74Å; D504-R506 IonicContact OD2-NE 3.14Å; D504-R506 PolarHBondContact OD2-NE 2.97Å; D504-R506 IonicContact OD2-NH2 3.1Å; D504-R506 PolarHBondContact OD2-NH2 2.04Å; D504-Q507 HydrophobicContact CB-CG 4.17Å; D504-Q507 PolarHBondContact O-N 3.35Å; D504-Q507 VanDerWaalsContact O-N 3.1Å; D504-K508 WeakPolarHBondContact O-CE 3.48Å
505	S	96.3	Very high	94.6	Very high	70 Å²	70	60 Å²	60	49%	0.49	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-59.1	-21.7	178.3	67.9	0	0	0	0	114.1	N503 Q507 H520	N503-S505 PolarHBondContact O-N 2.96Å; S505-Q507 PolarHBondContact O-N 2.8Å; S505-H520 PolarHBondContact O-NE2 3.44Å
506	R	97.4	Very high	94.4	Very high	78 Å²	78	61.9 Å²	61.9	29%	0.294	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-74.4	-13.5	179.6	-57	174	-62.2	154.3	10.8	113	T485 V486 Q498 D504	T485-R506 HydrophobicContact CG2-CB 3.85Å; V486-R506 PolarHBondContact N-O 3.46Å; V486-R506 WeakPolarHBondContact O-CB 3.12Å; Q498-R506 VanDerWaalsContact OE1-NH2 3.12Å; D504-R506 PolarHBondContact O-N 3.06Å; D504-R506 VanDerWaalsContact O-N 3.11Å; D504-R506 WeakPolarHBondContact OD1-CB 3.36Å; D504-R506 WeakPolarHBondContact OD1-CG 3.38Å; D504-R506 IonicContact OD1-CZ 3.36Å; D504-R506 PolarHBondContact OD1-N 2.77Å; D504-R506 IonicContact OD1-NE 3.45Å; D504-R506 PolarHBondContact OD1-NE 3.18Å; D504-R506 IonicContact OD1-NH2 2.73Å; D504-R506 IonicContact OD2-CZ 3.74Å; D504-R506 IonicContact OD2-NE 3.14Å; D504-R506 PolarHBondContact OD2-NE 2.97Å; D504-R506 IonicContact OD2-NH2 3.1Å; D504-R506 PolarHBondContact OD2-NH2 2.04Å
507	Q	97.9	Very high	94.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-101.3	10.5	-177.1	-65	-175.5	-19.7	0	0	112.5	S476 C483 T485 G499 R501 D504 S505 W509	S476-Q507 WeakPolarHBondContact CA-O 3.5Å; C483-Q507 HydrophobicContact CB-CB 4.39Å; C483-Q507 HydrophobicContact CB-CG 4.24Å; T485-Q507 HydrophobicContact CG2-CG 3.9Å; T485-Q507 WeakPolarHBondContact OG1-CG 3.12Å; T485-Q507 PolarHBondContact OG1-NE2 2.87Å; G499-Q507 PolarHBondContact O-NE2 2.95Å; R501-Q507 PolarHBondContact O-OE1 3.18Å; D504-Q507 HydrophobicContact CB-CG 4.17Å; D504-Q507 PolarHBondContact O-N 3.35Å; D504-Q507 VanDerWaalsContact O-N 3.1Å; S505-Q507 PolarHBondContact O-N 2.8Å; Q507-W509 VanDerWaalsContact O-CD1 3.31Å
508	K	97.8	Very high	94.4	Very high	25 Å²	25	59.7 Å²	59.7	11%	0.109	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-100	122	-169.7	-53.8	-56	178.1	-175.7	0	111.1	D474 K475 E502 D504 H520 V521	D474-K508 WeakPolarHBondContact O-CD 3.45Å; D474-K508 WeakPolarHBondContact O-CE 3.47Å; D474-K508 PolarHBondContact O-NZ 2.94Å; D474-K508 IonicContact OD2-NZ 3.17Å; D474-K508 PolarHBondContact OD2-NZ 3.28Å; K475-K508 HydrophobicContact CB-CB 4.48Å; K475-K508 HydrophobicContact CB-CD 4.3Å; K475-K508 CarbonylContact O-C 3.57Å; K475-K508 VanDerWaalsContact O-CA 3.3Å; K475-K508 WeakPolarHBondContact O-CA 3.32Å; E502-K508 WeakPolarHBondContact O-CE 3.47Å; E502-K508 PolarHBondContact O-NZ 3.29Å; D504-K508 WeakPolarHBondContact O-CE 3.48Å; K508-H520 WeakPolarHBondContact O-CA 3.31Å; K508-H520 PolarHBondContact O-CD2 3.44Å; K508-H520 VanDerWaalsContact O-CD2 3.29Å; K508-V521 HydrophobicContact CB-CB 3.81Å; K508-V521 HydrophobicContact CB-CG2 3.9Å; K508-V521 PolarHBondContact O-N 3.34Å
509	W	98	Very high	94.4	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149	-176.8	-58.7	88.5	0	0	0	111	K475 V477 L484 V486 I495 Q507 L518 R519 H520 L527 V539	K475-W509 WeakPolarHBondContact CB-O 3.39Å; K475-W509 PolarHBondContact O-N 2.92Å; V477-W509 HydrophobicContact CG2-CB 3.76Å; V477-W509 HydrophobicContact CG2-CG 3.82Å; L484-W509 HydrophobicContact CB-CZ2 4.19Å; L484-W509 PolarHBondContact O-NE1 2.83Å; V486-W509 HydrophobicContact CG2-CH2 3.72Å; V486-W509 HydrophobicContact CG2-CZ2 3.47Å; V486-W509 VanDerWaalsContact CG2-CZ2 3.47Å; I495-W509 HydrophobicContact CG2-CH2 4.26Å; I495-W509 HydrophobicContact CG2-CZ2 4.35Å; Q507-W509 VanDerWaalsContact O-CD1 3.31Å; W509-L518 HydrophobicContact CB-CD2 4.37Å; W509-L518 HydrophobicContact CE3-CB 4.37Å; W509-R519 CarbonylContact C-O 3Å; W509-R519 VanDerWaalsContact CA-O 3.28Å; W509-R519 WeakPolarHBondContact CA-O 3.29Å; W509-H520 HydrophobicContact CE3-CB 4.08Å; W509-H520 HydrophobicContact CH2-CB 4.35Å; W509-H520 HydrophobicContact CZ3-CB 3.96Å; W509-L527 HydrophobicContact CH2-CD1 4.42Å; W509-L527 HydrophobicContact CZ3-CB 4.03Å; W509-V539 HydrophobicContact CH2-CG1 3.8Å; W509-V539 HydrophobicContact CZ3-CG1 4.47Å
510	E	96.1	Very high	94.6	Very high	42 Å²	42	60 Å²	60	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.1	175.7	64.5	-168.7	177.1	0	0	111.7	K475 I512 R519 V521	K475-E510 IonicContact NZ-OE2 3.04Å; K475-E510 PolarHBondContact NZ-OE2 2.93Å; E510-I512 HydrophobicContact CG-CG2 4.25Å; E510-R519 HydrophobicContact CG-CB 4.35Å; E510-R519 PolarHBondContact N-O 2.9Å; E510-R519 PolarHBondContact O-N 2.69Å; E510-R519 IonicContact OE1-CZ 3.97Å; E510-R519 VanDerWaalsContact OE1-CZ 3.27Å; E510-R519 IonicContact OE1-NE 3.37Å; E510-R519 PolarHBondContact OE1-NE 3.29Å; E510-R519 IonicContact OE1-NH2 2.98Å; E510-R519 PolarHBondContact OE1-NH2 3.01Å; E510-V521 HydrophobicContact CB-CG2 4.07Å; E510-V521 HydrophobicContact CG-CG2 4.05Å
511	Q	95	Very high	94.8	Very high	35 Å²	35	59.5 Å²	59.5	16%	0.164	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.2	173.7	-74.2	179.8	-1.3	0	0	109.8	L471 N515 K517 L518 N555	L471-Q511 HydrophobicContact CD2-CG 3.8Å; Q511-N515 HydrophobicContact CB-CB 4.36Å; Q511-N515 VanDerWaalsContact OE1-CB 3.31Å; Q511-N515 PolarHBondContact OE1-ND2 3.37Å; Q511-N515 PolarHBondContact OE1-OD1 3Å; Q511-K517 WeakPolarHBondContact CA-O 3.05Å; Q511-L518 HydrophobicContact CG-CD2 3.99Å; Q511-N555 PolarHBondContact NE2-OD1 2.84Å; Q511-N555 VanDerWaalsContact NE2-OD1 3.14Å; Q511-N555 PolarHBondContact OE1-OD1 3.11Å
512	I	94.4	Very high	94.8	Very high	29 Å²	29	54.7 Å²	54.7	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	171.7	176	65.9	169.4	0	0	0	110.7	E510 S514 N515 S516 K517 R519	E510-I512 HydrophobicContact CG-CG2 4.25Å; I512-S514 PolarHBondContact O-N 3.49Å; I512-N515 PolarHBondContact O-N 3.28Å; I512-S516 PolarHBondContact O-N 2.76Å; I512-S516 VanDerWaalsContact O-N 3.11Å; I512-K517 HydrophobicContact CD1-CB 4.35Å; I512-K517 HydrophobicContact CG1-CB 3.81Å; I512-K517 PolarHBondContact N-O 2.99Å; I512-K517 VanDerWaalsContact N-O 3.07Å; I512-K517 PolarHBondContact O-N 2.74Å; I512-R519 HydrophobicContact CD1-CB 4.03Å; I512-R519 HydrophobicContact CG1-CB 4.41Å; I512-R519 HydrophobicContact CG2-CB 4.16Å
513	E	90.1	Very high	95.1	Very high	111 Å²	111	49 Å²	49	52%	0.519	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	56	176.2	-64.5	-180	-147.8	0	0	112.4	N515 S516 K517	E513-N515 VanDerWaalsContact C-N 3.34Å; E513-N515 PolarHBondContact O-N 2.9Å; E513-S516 WeakPolarHBondContact CB-OG 3.36Å; E513-S516 VanDerWaalsContact O-CB 3.31Å; E513-S516 WeakPolarHBondContact O-CB 3.13Å; E513-S516 PolarHBondContact O-N 3.36Å; E513-S516 PolarHBondContact O-OG 2.85Å; E513-K517 IonicContact OE1-NZ 3.11Å; E513-K517 PolarHBondContact OE1-NZ 3.18Å; E513-K517 WeakPolarHBondContact OE2-CE 3.38Å; E513-K517 IonicContact OE2-NZ 3.65Å; E513-K517 PolarHBondContact OE2-NZ 3.1Å
514	S	87	Confident	95.3	Very high	125 Å²	125	45.9 Å²	45.9	87%	0.874	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	44.7	-177.9	-57.3	0	0	0	0	113.4	I512 S516	I512-S514 PolarHBondContact O-N 3.49Å; S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 PolarHBondContact O-N 3.25Å
515	N	90.6	Very high	95.4	Very high	63 Å²	63	45.8 Å²	45.8	34%	0.337	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	32	177.6	-50.1	-14.9	0	0	0	113.8	Q511 I512 E513	Q511-N515 HydrophobicContact CB-CB 4.36Å; Q511-N515 VanDerWaalsContact OE1-CB 3.31Å; Q511-N515 PolarHBondContact OE1-ND2 3.37Å; Q511-N515 PolarHBondContact OE1-OD1 3Å; I512-N515 PolarHBondContact O-N 3.28Å; E513-N515 VanDerWaalsContact C-N 3.34Å; E513-N515 PolarHBondContact O-N 2.9Å
516	S	93.1	Very high	95.5	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-6.7	-179	69.9	0	0	0	0	114.4	I512 E513 S514 Q549 W550	I512-S516 PolarHBondContact O-N 2.76Å; I512-S516 VanDerWaalsContact O-N 3.11Å; E513-S516 WeakPolarHBondContact CB-OG 3.36Å; E513-S516 VanDerWaalsContact O-CB 3.31Å; E513-S516 WeakPolarHBondContact O-CB 3.13Å; E513-S516 PolarHBondContact O-N 3.36Å; E513-S516 PolarHBondContact O-OG 2.85Å; S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 PolarHBondContact O-N 3.25Å; S516-Q549 CarbonylContact O-C 3.5Å; S516-Q549 VanDerWaalsContact O-CA 3.29Å; S516-Q549 WeakPolarHBondContact O-CA 3.4Å; S516-W550 CarbonylContact C-O 3.51Å; S516-W550 PolarHBondContact O-N 2.43Å
517	K	96.4	Very high	95.5	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.1	174.2	-53.2	-174.8	-177.5	161	0	111.3	Q511 I512 E513 G543 Q548	Q511-K517 WeakPolarHBondContact CA-O 3.05Å; I512-K517 HydrophobicContact CD1-CB 4.35Å; I512-K517 HydrophobicContact CG1-CB 3.81Å; I512-K517 PolarHBondContact N-O 2.99Å; I512-K517 VanDerWaalsContact N-O 3.07Å; I512-K517 PolarHBondContact O-N 2.74Å; E513-K517 IonicContact OE1-NZ 3.11Å; E513-K517 PolarHBondContact OE1-NZ 3.18Å; E513-K517 WeakPolarHBondContact OE2-CE 3.38Å; E513-K517 IonicContact OE2-NZ 3.65Å; E513-K517 PolarHBondContact OE2-NZ 3.1Å; K517-G543 PolarHBondContact NZ-O 2.79Å; K517-Q548 WeakPolarHBondContact CG-O 3.4Å
518	L	97.7	Very high	95.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.5	169.8	-81	173.8	0	0	0	110.8	L437 V477 W509 Q511 C526 L527 F552	L437-L518 HydrophobicContact CD1-CD1 3.83Å; L437-L518 HydrophobicContact CD2-CD1 3.45Å; L437-L518 VanDerWaalsContact CD2-CD1 3.45Å; L437-L518 HydrophobicContact CG-CD1 4.29Å; V477-L518 HydrophobicContact CG2-CD1 4.24Å; W509-L518 HydrophobicContact CB-CD2 4.37Å; W509-L518 HydrophobicContact CE3-CB 4.37Å; Q511-L518 HydrophobicContact CG-CD2 3.99Å; L518-C526 WeakPolarHBondContact O-CA 3.44Å; L518-L527 HydrophobicContact CB-CB 4.23Å; L518-L527 HydrophobicContact CD1-CD2 4.22Å; L518-L527 PolarHBondContact O-N 3.41Å; L518-F552 HydrophobicContact CD1-CE2 4.23Å; L518-F552 HydrophobicContact CD2-CE2 4.39Å
519	R	98.1	Very high	95.5	Very high	80 Å²	80	38.3 Å²	38.3	30%	0.302	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.2	176.1	-176	174.7	68.9	-174	2.2	110.3	W509 E510 I512 S523 L525	W509-R519 CarbonylContact C-O 3Å; W509-R519 VanDerWaalsContact CA-O 3.28Å; W509-R519 WeakPolarHBondContact CA-O 3.29Å; E510-R519 HydrophobicContact CG-CB 4.35Å; E510-R519 PolarHBondContact N-O 2.9Å; E510-R519 PolarHBondContact O-N 2.69Å; E510-R519 IonicContact OE1-CZ 3.97Å; E510-R519 VanDerWaalsContact OE1-CZ 3.27Å; E510-R519 IonicContact OE1-NE 3.37Å; E510-R519 PolarHBondContact OE1-NE 3.29Å; E510-R519 IonicContact OE1-NH2 2.98Å; E510-R519 PolarHBondContact OE1-NH2 3.01Å; I512-R519 HydrophobicContact CD1-CB 4.03Å; I512-R519 HydrophobicContact CG1-CB 4.41Å; I512-R519 HydrophobicContact CG2-CB 4.16Å; R519-S523 WeakPolarHBondContact CD-O 3.35Å; R519-L525 CarbonylContact C-O 3.59Å; R519-L525 WeakPolarHBondContact CA-O 3.5Å; R519-L525 WeakPolarHBondContact CG-O 3.46Å
520	H	98.3	Very high	95.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.3	169.8	172.8	-94.8	0	0	0	110	V486 S505 K508 W509 S523 L525	V486-H520 HydrophobicContact CG2-CB 4.18Å; V486-H520 WeakPolarHBondContact CG2-CD2 3.39Å; S505-H520 PolarHBondContact O-NE2 3.44Å; K508-H520 WeakPolarHBondContact O-CA 3.31Å; K508-H520 PolarHBondContact O-CD2 3.44Å; K508-H520 VanDerWaalsContact O-CD2 3.29Å; W509-H520 HydrophobicContact CE3-CB 4.08Å; W509-H520 HydrophobicContact CH2-CB 4.35Å; W509-H520 HydrophobicContact CZ3-CB 3.96Å; H520-S523 WeakPolarHBondContact CB-OG 3.28Å; H520-S523 PolarHBondContact ND1-OG 3.05Å; H520-S523 PolarHBondContact O-N 3.02Å; H520-S523 PolarHBondContact O-OG 3.29Å; H520-L525 HydrophobicContact CB-CB 4.48Å; H520-L525 PolarHBondContact N-O 2.8Å
521	V	96.7	Very high	95.1	Very high	40 Å²	40	42.6 Å²	42.6	24%	0.242	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	138.1	-170.7	176.5	0	0	0	0	110.9	K475 K508 E510 S523	K475-V521 HydrophobicContact CD-CG2 3.87Å; K508-V521 HydrophobicContact CB-CB 3.81Å; K508-V521 HydrophobicContact CB-CG2 3.9Å; K508-V521 PolarHBondContact O-N 3.34Å; E510-V521 HydrophobicContact CB-CG2 4.07Å; E510-V521 HydrophobicContact CG-CG2 4.05Å; V521-S523 PolarHBondContact O-N 2.66Å
522	G	93.1	Very high	94.7	Very high	73 Å²	73	42.3 Å²	42.3	75%	0.753	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	16.3	-179.9	0	0	0	0	0	114.3
523	S	95.2	Very high	94.3	Very high	28 Å²	28	52.8 Å²	52.8	20%	0.196	29%	0.286	C	S	.	.	S	Bend	trans	-140.7	167.5	175.6	73	0	0	0	0	111.5	R519 H520 V521 L525	R519-S523 WeakPolarHBondContact CD-O 3.35Å; H520-S523 WeakPolarHBondContact CB-OG 3.28Å; H520-S523 PolarHBondContact ND1-OG 3.05Å; H520-S523 PolarHBondContact O-N 3.02Å; H520-S523 PolarHBondContact O-OG 3.29Å; V521-S523 PolarHBondContact O-N 2.66Å; S523-L525 VanDerWaalsContact C-N 3.28Å; S523-L525 PolarHBondContact OG-N 3.26Å
524	N	96.4	Very high	93.8	Very high	97 Å²	97	55 Å²	55	52%	0.519	30%	0.298	S	S	.	.	S	Bend	trans	-97.5	35.6	169.4	-165.1	36	0	0	0	111.8	V541 C542	N524-V541 WeakPolarHBondContact O-CA 3.32Å; N524-C542 PolarHBondContact O-N 2.74Å
525	L	98.2	Very high	93.7	Very high	16 Å²	16	50.8 Å²	50.8	8%	0.084	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.7	-178	-62.3	173.2	0	0	0	110.7	R489 R519 H520 S523 V539 E540	R489-L525 HydrophobicContact CB-CD1 4.19Å; R489-L525 WeakPolarHBondContact O-CD1 3.44Å; R519-L525 CarbonylContact C-O 3.59Å; R519-L525 WeakPolarHBondContact CA-O 3.5Å; R519-L525 WeakPolarHBondContact CG-O 3.46Å; H520-L525 HydrophobicContact CB-CB 4.48Å; H520-L525 PolarHBondContact N-O 2.8Å; S523-L525 VanDerWaalsContact C-N 3.28Å; S523-L525 PolarHBondContact OG-N 3.26Å; L525-V539 HydrophobicContact CB-CB 4.17Å; L525-V539 HydrophobicContact CB-CG1 4.45Å; L525-V539 HydrophobicContact CD1-CB 4.32Å; L525-V539 HydrophobicContact CD1-CG2 4.37Å; L525-E540 CarbonylContact C-O 3.52Å; L525-E540 VanDerWaalsContact CA-O 3.23Å; L525-E540 WeakPolarHBondContact CA-O 3.35Å
526	C	98.4	Very high	93.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	150.9	179.2	-78.3	0	0	0	0	110.6	L518 D528 E540 C542 Q548	L518-C526 WeakPolarHBondContact O-CA 3.44Å; C526-D528 PolarHBondContact O-N 3.39Å; C526-E540 PolarHBondContact N-O 3.1Å; C526-E540 PolarHBondContact O-N 3.38Å; C526-C542 HydrophobicContact CB-CB 4.03Å; C526-C542 WeakPolarHBondContact CB-SG 3.3Å; C526-C542 PolarHBondContact N-SG 2.8Å; C526-C542 WeakPolarHBondContact SG-CB 3.4Å; C526-C542 CovalentContact SG-SG 2.05Å; C526-C542 PolarHBondContact SG-SG 2.98Å; C526-Q548 HydrophobicContact CB-CG 4.39Å
527	L	98.3	Very high	94.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	126.9	172.2	-178	65.6	0	0	0	109.7	L437 I495 W509 L518 L537 Q548 W550	L437-L527 HydrophobicContact CD2-CD2 3.94Å; I495-L527 HydrophobicContact CD1-CD1 3.4Å; I495-L527 VanDerWaalsContact CD1-CD1 3.4Å; I495-L527 HydrophobicContact CG1-CD1 4.4Å; W509-L527 HydrophobicContact CH2-CD1 4.42Å; W509-L527 HydrophobicContact CZ3-CB 4.03Å; L518-L527 HydrophobicContact CB-CB 4.23Å; L518-L527 HydrophobicContact CD1-CD2 4.22Å; L518-L527 PolarHBondContact O-N 3.41Å; L527-L537 HydrophobicContact CD1-CB 4.04Å; L527-L537 HydrophobicContact CD1-CD1 4.01Å; L527-L537 HydrophobicContact CD2-CD1 4.41Å; L527-L537 HydrophobicContact CG-CD1 4.41Å; L527-Q548 WeakPolarHBondContact O-CA 3.12Å; L527-W550 HydrophobicContact CD2-CD2 3.95Å; L527-W550 HydrophobicContact CD2-CZ2 3.97Å; L527-W550 HydrophobicContact CD2-CG 4.18Å; L527-W550 PolarHBondContact O-NE1 2.93Å; L527-W550 HydrophobicContact CG-CZ2 4.01Å
528	D	98.2	Very high	94.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.9	-173	-160.2	-42.8	0	0	0	111.8	C526 R530 T538 E540 S547 Q548	C526-D528 PolarHBondContact O-N 3.39Å; D528-R530 VanDerWaalsContact CG-NE 3.31Å; D528-R530 VanDerWaalsContact OD1-CB 3.25Å; D528-R530 WeakPolarHBondContact OD1-CB 3.35Å; D528-R530 VanDerWaalsContact OD1-CG 3.31Å; D528-R530 WeakPolarHBondContact OD1-CG 3.47Å; D528-R530 PolarHBondContact OD1-N 3.31Å; D528-R530 IonicContact OD1-NE 3.72Å; D528-R530 PolarHBondContact OD1-NE 2.95Å; D528-R530 IonicContact OD2-CZ 2.8Å; D528-R530 VanDerWaalsContact OD2-CZ 3.23Å; D528-R530 IonicContact OD2-NE 3.69Å; D528-R530 PolarHBondContact OD2-NE 2.99Å; D528-R530 IonicContact OD2-NH2 3.48Å; D528-R530 PolarHBondContact OD2-NH2 3.35Å; D528-T538 PolarHBondContact O-OG1 2.91Å; D528-T538 PolarHBondContact O-N 3.45Å; D528-T538 PolarHBondContact N-O 3.4Å; D528-E540 HydrophobicContact CB-CG 3.87Å; D528-E540 HydrophobicContact CB-CB 3.72Å; D528-S547 WeakPolarHBondContact CA-O 3.33Å; D528-S547 WeakPolarHBondContact OD1-CB 3.49Å; D528-S547 PolarHBondContact OD1-OG 2.76Å; D528-S547 PolarHBondContact OD2-OG 3.36Å; D528-Q548 PolarHBondContact OD2-NE2 3.4Å; D528-Q548 WeakPolarHBondContact OD2-CG 3.45Å; D528-Q548 HydrophobicContact CB-CG 3.9Å
529	S	97.4	Very high	94.1	Very high	15 Å²	15	45.6 Å²	45.6	11%	0.105	24%	0.244	C	C	.	.			trans	-98.2	5.1	179.1	59.5	0	0	0	0	115	Q439 S531 A532 S547	Q439-S529 PolarHBondContact NE2-OG 3.2Å; Q439-S529 PolarHBondContact OE1-OG 3.47Å; S529-S531 PolarHBondContact O-N 2.86Å; S529-A532 WeakPolarHBondContact O-CB 3.32Å; S529-A532 PolarHBondContact O-N 3.4Å; S529-S547 PolarHBondContact N-O 3.09Å; S529-S547 WeakPolarHBondContact OG-CA 3.42Å; S529-S547 PolarHBondContact OG-O 3.37Å; S529-S547 VanDerWaalsContact OG-O 3.08Å
530	R	94.4	Very high	94.1	Very high	111 Å²	111	43.2 Å²	43.2	42%	0.419	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.5	179.2	69	179.1	61.9	178.6	-4.6	113.3	D528 E540 N545	D528-R530 VanDerWaalsContact CG-NE 3.31Å; D528-R530 VanDerWaalsContact OD1-CB 3.25Å; D528-R530 WeakPolarHBondContact OD1-CB 3.35Å; D528-R530 VanDerWaalsContact OD1-CG 3.31Å; D528-R530 WeakPolarHBondContact OD1-CG 3.47Å; D528-R530 PolarHBondContact OD1-N 3.31Å; D528-R530 IonicContact OD1-NE 3.72Å; D528-R530 PolarHBondContact OD1-NE 2.95Å; D528-R530 IonicContact OD2-CZ 2.8Å; D528-R530 VanDerWaalsContact OD2-CZ 3.23Å; D528-R530 IonicContact OD2-NE 3.69Å; D528-R530 PolarHBondContact OD2-NE 2.99Å; D528-R530 IonicContact OD2-NH2 3.48Å; D528-R530 PolarHBondContact OD2-NH2 3.35Å; R530-E540 PolarHBondContact NH1-OE1 3.11Å; R530-E540 IonicContact NH1-OE2 2.75Å; R530-E540 WeakPolarHBondContact CD-OE1 3.22Å; R530-E540 IonicContact NE-OE1 3.63Å; R530-E540 IonicContact CZ-OE1 3.44Å; R530-E540 IonicContact NH1-OE1 3.87Å; R530-N545 PolarHBondContact NH2-ND2 2.94Å; R530-N545 VanDerWaalsContact NH2-ND2 3.19Å
531	S	89.7	Confident	94.1	Very high	22 Å²	22	47.1 Å²	47.1	15%	0.154	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	9.8	-178.2	-62.4	0	0	0	0	113.3	S529 R533 M534 G535 G536	S529-S531 PolarHBondContact O-N 2.86Å; S531-R533 PolarHBondContact O-N 2.93Å; S531-R533 VanDerWaalsContact O-N 3.1Å; S531-M534 WeakPolarHBondContact O-CA 3.43Å; S531-M534 PolarHBondContact O-N 2.69Å; S531-G535 PolarHBondContact O-N 3.26Å; S531-G536 CarbonylContact C-O 3.57Å; S531-G536 PolarHBondContact O-N 3Å; S531-G536 VanDerWaalsContact O-O 3.07Å
532	A	88.2	Confident	94.1	Very high	28 Å²	28	46.4 Å²	46.4	23%	0.231	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-55.6	-35.1	-176.9	0	0	0	0	0	112.8	V457 S529 M534 G536 L537	V457-A532 HydrophobicContact CG2-CB 3.85Å; S529-A532 WeakPolarHBondContact O-CB 3.32Å; S529-A532 PolarHBondContact O-N 3.4Å; A532-M534 VanDerWaalsContact C-N 3.34Å; A532-G536 WeakPolarHBondContact CA-O 3.45Å; A532-G536 PolarHBondContact N-O 2.95Å; A532-L537 HydrophobicContact CB-CD2 4.23Å
533	R	84.1	Confident	94.3	Very high	250 Å²	250	43.8 Å²	43.8	94%	0.943	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-77.3	-15.4	176.7	-64.9	-173.2	179	-169.3	-0.2	114.4	S531	S531-R533 PolarHBondContact O-N 2.93Å; S531-R533 VanDerWaalsContact O-N 3.1Å
534	M	81.1	Confident	94.2	Very high	157 Å²	157	48.2 Å²	48.2	77%	0.773	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-107.7	5	-172.9	-63.6	-172.3	-66	0	0	113.4	S531 A532	S531-M534 WeakPolarHBondContact O-CA 3.43Å; S531-M534 PolarHBondContact O-N 2.69Å; A532-M534 VanDerWaalsContact C-N 3.34Å
535	G	84.2	Confident	94.1	Very high	37 Å²	37	46.6 Å²	46.6	38%	0.381	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	148.8	-8.5	176.7	0	0	0	0	0	115.7	V454 S531	V454-G535 WeakPolarHBondContact CB-O 3.44Å; V454-G535 WeakPolarHBondContact CG2-O 3.31Å; S531-G535 PolarHBondContact O-N 3.26Å
536	G	93.9	Very high	94	Very high	1 Å²	1	52 Å²	52	1%	0.01	28%	0.277	C	S	.	.	S	Bend	trans	134.3	-170.5	175.6	0	0	0	0	0	113.1	V455 S531 A532	V455-G536 CarbonylContact O-C 3.5Å; V455-G536 WeakPolarHBondContact O-CA 3.41Å; S531-G536 CarbonylContact C-O 3.57Å; S531-G536 PolarHBondContact O-N 3Å; S531-G536 VanDerWaalsContact O-O 3.07Å; A532-G536 WeakPolarHBondContact CA-O 3.45Å; A532-G536 PolarHBondContact N-O 2.95Å
537	L	97.6	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.			trans	-74.1	148.7	176.3	-58.2	-174.6	0	0	0	111.6	L444 V455 V457 L494 I495 L527 A532 W550	L444-L537 HydrophobicContact CD1-CD1 3.23Å; V455-L537 HydrophobicContact CG2-CB 4.09Å; V455-L537 HydrophobicContact CG2-CD1 4.02Å; V455-L537 HydrophobicContact CG2-CG 4.2Å; V455-L537 PolarHBondContact O-N 3.44Å; V457-L537 HydrophobicContact CG1-CD2 4.21Å; L494-L537 WeakPolarHBondContact CA-O 3.15Å; I495-L537 HydrophobicContact CD1-CB 4.07Å; I495-L537 HydrophobicContact CG1-CB 4Å; I495-L537 WeakPolarHBondContact CG1-O 3.23Å; I495-L537 PolarHBondContact N-O 2.98Å; L527-L537 HydrophobicContact CD1-CB 4.04Å; L527-L537 HydrophobicContact CD1-CD1 4.01Å; L527-L537 HydrophobicContact CD2-CD1 4.41Å; L527-L537 HydrophobicContact CG-CD1 4.41Å; A532-L537 HydrophobicContact CB-CD2 4.23Å; L537-W550 HydrophobicContact CD1-CH2 3.74Å; L537-W550 HydrophobicContact CD2-CZ2 4.08Å; L537-W550 HydrophobicContact CD2-CH2 4.11Å; L537-W550 HydrophobicContact CD1-CZ2 3.96Å
538	T	97.9	Very high	93.8	Very high	1 Å²	1	53 Å²	53	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	162.2	-176.9	52.6	0	0	0	0	111.4	G492 S493 L494 D528	G492-T538 VanDerWaalsContact O-CG2 3.22Å; G492-T538 WeakPolarHBondContact O-CG2 3.48Å; S493-T538 CarbonylContact O-C 3.56Å; S493-T538 WeakPolarHBondContact O-CA 3.36Å; S493-T538 VanDerWaalsContact O-CB 3.28Å; S493-T538 WeakPolarHBondContact O-CB 3.34Å; L494-T538 HydrophobicContact CD2-CG2 3.82Å; L494-T538 HydrophobicContact CG-CG2 4.38Å; D528-T538 PolarHBondContact O-OG1 2.91Å; D528-T538 PolarHBondContact O-N 3.45Å; D528-T538 PolarHBondContact N-O 3.4Å
539	V	97.6	Very high	93.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.5	158.6	-79.1	0	0	0	0	109.9	V486 G492 S493 I495 W509 L525	V486-V539 HydrophobicContact CB-CG1 4.45Å; V486-V539 HydrophobicContact CG1-CG1 3.99Å; V486-V539 HydrophobicContact CG1-CG2 4.06Å; V486-V539 HydrophobicContact CG2-CG1 3.64Å; G492-V539 PolarHBondContact N-O 2.95Å; S493-V539 PolarHBondContact O-N 3.27Å; I495-V539 HydrophobicContact CG2-CG1 3.74Å; W509-V539 HydrophobicContact CH2-CG1 3.8Å; W509-V539 HydrophobicContact CZ3-CG1 4.47Å; L525-V539 HydrophobicContact CB-CB 4.17Å; L525-V539 HydrophobicContact CB-CG1 4.45Å; L525-V539 HydrophobicContact CD1-CB 4.32Å; L525-V539 HydrophobicContact CD1-CG2 4.37Å
540	E	97.9	Very high	93.7	Very high	30 Å²	30	56.8 Å²	56.8	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.5	179.4	-85.3	-75.4	-155	0	0	111.6	L525 C526 D528 R530 C542	L525-E540 CarbonylContact C-O 3.52Å; L525-E540 VanDerWaalsContact CA-O 3.23Å; L525-E540 WeakPolarHBondContact CA-O 3.35Å; C526-E540 PolarHBondContact N-O 3.1Å; C526-E540 PolarHBondContact O-N 3.38Å; D528-E540 HydrophobicContact CB-CG 3.87Å; D528-E540 HydrophobicContact CB-CB 3.72Å; R530-E540 PolarHBondContact NH1-OE1 3.11Å; R530-E540 IonicContact NH1-OE2 2.75Å; R530-E540 WeakPolarHBondContact CD-OE1 3.22Å; R530-E540 IonicContact NE-OE1 3.63Å; R530-E540 IonicContact CZ-OE1 3.44Å; R530-E540 IonicContact NH1-OE1 3.87Å; E540-C542 PolarHBondContact O-N 2.78Å
541	V	97.7	Very high	93.7	Very high	81 Å²	81	57.5 Å²	57.5	49%	0.491	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	129.4	174.2	-177.3	0	0	0	0	109.5	A491 N524 G543 Q548	A491-V541 HydrophobicContact CB-CG2 4.09Å; N524-V541 WeakPolarHBondContact O-CA 3.32Å; V541-G543 PolarHBondContact O-N 3.3Å; V541-Q548 PolarHBondContact O-NE2 3.16Å
542	C	97.4	Very high	93.9	Very high	26 Å²	26	56.6 Å²	56.6	18%	0.176	30%	0.3	C	S	.	.			trans	-60.4	129.7	-179	-67.3	0	0	0	0	111.1	N524 C526 E540	N524-C542 PolarHBondContact O-N 2.74Å; C526-C542 HydrophobicContact CB-CB 4.03Å; C526-C542 WeakPolarHBondContact CB-SG 3.3Å; C526-C542 PolarHBondContact N-SG 2.8Å; C526-C542 WeakPolarHBondContact SG-CB 3.4Å; C526-C542 CovalentContact SG-SG 2.05Å; C526-C542 PolarHBondContact SG-SG 2.98Å; E540-C542 PolarHBondContact O-N 2.78Å
543	G	95.5	Very high	93.8	Very high	17 Å²	17	57.4 Å²	57.4	18%	0.175	30%	0.302	C	S	.	.			trans	-156.4	-177	-179.1	0	0	0	0	0	112.4	K517 V541 N545 Q548	K517-G543 PolarHBondContact NZ-O 2.79Å; V541-G543 PolarHBondContact O-N 3.3Å; G543-N545 PolarHBondContact O-N 3.41Å; G543-Q548 PolarHBondContact O-OE1 2.9Å
544	P	94.5	Very high	93.8	Very high	121 Å²	121	46 Å²	46	79%	0.786	26%	0.259	S	S	*	.	S	Bend	trans	-80.1	24.2	-176.4	34.1	-36.6	0	0	0	113.7
545	N	94.8	Very high	93.9	Very high	64 Å²	64	39.4 Å²	39.4	34%	0.342	23%	0.227	S	C	.	.			trans	-77.5	137.9	-172.3	-61.2	-54.4	0	0	0	111.8	R530 G543 S547 Q548	R530-N545 PolarHBondContact NH2-ND2 2.94Å; R530-N545 VanDerWaalsContact NH2-ND2 3.19Å; G543-N545 PolarHBondContact O-N 3.41Å; N545-S547 PolarHBondContact O-N 3.4Å; N545-Q548 HydrophobicContact CB-CG 4.25Å; N545-Q548 PolarHBondContact O-N 2.99Å
546	L	94.3	Very high	93.7	Very high	129 Å²	129	39.9 Å²	39.9	68%	0.675	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-60.8	-29.2	173.3	-66.5	177.1	0	0	0	112.4	Q548 Q549	L546-Q548 PolarHBondContact O-N 2.89Å; L546-Q549 PolarHBondContact O-N 3.04Å
547	S	96.5	Very high	92.3	Very high	22 Å²	22	46.3 Å²	46.3	15%	0.154	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-69.2	-9.5	176.6	63.3	0	0	0	0	114.4	Q439 D528 S529 N545	Q439-S547 PolarHBondContact OE1-O 3.19Å; D528-S547 WeakPolarHBondContact CA-O 3.33Å; D528-S547 WeakPolarHBondContact OD1-CB 3.49Å; D528-S547 PolarHBondContact OD1-OG 2.76Å; D528-S547 PolarHBondContact OD2-OG 3.36Å; S529-S547 PolarHBondContact N-O 3.09Å; S529-S547 WeakPolarHBondContact OG-CA 3.42Å; S529-S547 PolarHBondContact OG-O 3.37Å; S529-S547 VanDerWaalsContact OG-O 3.08Å; N545-S547 PolarHBondContact O-N 3.4Å
548	Q	97.6	Very high	90	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-105.7	3	176.4	-62.8	-178.7	-0.2	0	0	112.8	K517 C526 L527 D528 V541 G543 N545 L546 W550	K517-Q548 WeakPolarHBondContact CG-O 3.4Å; C526-Q548 HydrophobicContact CB-CG 4.39Å; L527-Q548 WeakPolarHBondContact O-CA 3.12Å; D528-Q548 PolarHBondContact OD2-NE2 3.4Å; D528-Q548 WeakPolarHBondContact OD2-CG 3.45Å; D528-Q548 HydrophobicContact CB-CG 3.9Å; V541-Q548 PolarHBondContact O-NE2 3.16Å; G543-Q548 PolarHBondContact O-OE1 2.9Å; N545-Q548 HydrophobicContact CB-CG 4.25Å; N545-Q548 PolarHBondContact O-N 2.99Å; L546-Q548 PolarHBondContact O-N 2.89Å; Q548-W550 VanDerWaalsContact C-CD1 3.48Å
549	Q	96.5	Very high	89.7	Confident	91 Å²	91	54 Å²	54	43%	0.425	30%	0.301	S	S	.	.			trans	-82.9	117.7	178.2	-68.7	-172.1	-8.8	0	0	110.5	Q439 S516 L546	Q439-Q549 WeakPolarHBondContact CB-O 3.11Å; Q439-Q549 VanDerWaalsContact CG-O 3.23Å; Q439-Q549 WeakPolarHBondContact CG-O 3.33Å; S516-Q549 CarbonylContact O-C 3.5Å; S516-Q549 VanDerWaalsContact O-CA 3.29Å; S516-Q549 WeakPolarHBondContact O-CA 3.4Å; L546-Q549 PolarHBondContact O-N 3.04Å
550	W	96.6	Very high	89.2	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.015	32%	0.316	C	S	.	.			trans	-138.8	131.2	-177.7	-62.5	98.9	0	0	0	110.2	L437 Q438 Q439 L444 V457 S516 L527 L537 Q548	L437-W550 HydrophobicContact CD1-CB 3.99Å; L437-W550 HydrophobicContact CD2-CB 4.14Å; L437-W550 HydrophobicContact CD2-CD2 4.07Å; L437-W550 HydrophobicContact CD2-CE3 3.74Å; L437-W550 HydrophobicContact CD2-CG 4.27Å; L437-W550 HydrophobicContact CD2-CZ3 4.39Å; L437-W550 HydrophobicContact CG-CB 4.02Å; L437-W550 HydrophobicContact CG-CD2 4.39Å; L437-W550 HydrophobicContact CG-CE3 3.81Å; Q438-W550 WeakPolarHBondContact O-CA 3.24Å; Q439-W550 HydrophobicContact CB-CD2 4.33Å; Q439-W550 HydrophobicContact CB-CE3 3.88Å; Q439-W550 HydrophobicContact CB-CH2 4.44Å; Q439-W550 HydrophobicContact CB-CZ3 3.96Å; Q439-W550 VanDerWaalsContact OE1-CZ2 3.23Å; L444-W550 HydrophobicContact CB-CZ3 4.11Å; V457-W550 HydrophobicContact CG1-CH2 3.5Å; V457-W550 VanDerWaalsContact CG1-CH2 3.5Å; V457-W550 HydrophobicContact CG1-CZ3 4.05Å; S516-W550 CarbonylContact C-O 3.51Å; S516-W550 PolarHBondContact O-N 2.43Å; L527-W550 HydrophobicContact CD2-CD2 3.95Å; L527-W550 HydrophobicContact CD2-CZ2 3.97Å; L527-W550 HydrophobicContact CD2-CG 4.18Å; L527-W550 PolarHBondContact O-NE1 2.93Å; L527-W550 HydrophobicContact CG-CZ2 4.01Å; L537-W550 HydrophobicContact CD1-CH2 3.74Å; L537-W550 HydrophobicContact CD2-CZ2 4.08Å; L537-W550 HydrophobicContact CD2-CH2 4.11Å; L537-W550 HydrophobicContact CD1-CZ2 3.96Å; Q548-W550 VanDerWaalsContact C-CD1 3.48Å
551	K	94.4	Very high	88.8	Confident	125 Å²	125	58.3 Å²	58.3	54%	0.543	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.5	179.7	-170.1	174.9	-179.7	-179.2	0	111.1	Q438	Q438-K551 PolarHBondContact N-O 3.44Å; Q438-K551 PolarHBondContact O-N 2.84Å
552	F	93.2	Very high	88.2	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	144.1	170.7	-81.5	-88.2	0	0	0	111.1	A433 A436 L437 W469 L471 V477 L518	A433-F552 HydrophobicContact CB-CB 3.75Å; A433-F552 HydrophobicContact CB-CD1 4.08Å; A433-F552 HydrophobicContact CB-CD2 3.77Å; A433-F552 HydrophobicContact CB-CE2 4.3Å; A433-F552 HydrophobicContact CB-CG 3.6Å; A436-F552 CarbonylContact O-C 3.57Å; A436-F552 WeakPolarHBondContact O-CA 3.17Å; L437-F552 HydrophobicContact CB-CE1 4.46Å; L437-F552 HydrophobicContact CD1-CD1 4.23Å; L437-F552 HydrophobicContact CD1-CD2 3.35Å; L437-F552 HydrophobicContact CD1-CE1 4.24Å; L437-F552 HydrophobicContact CD1-CE2 3.41Å; L437-F552 VanDerWaalsContact CD1-CE2 3.41Å; L437-F552 HydrophobicContact CD1-CG 3.82Å; L437-F552 HydrophobicContact CD1-CZ 3.86Å; W469-F552 HydrophobicContact CB-CE1 4.05Å; L471-F552 HydrophobicContact CB-CE1 4.48Å; L471-F552 HydrophobicContact CB-CE2 3.8Å; L471-F552 HydrophobicContact CB-CZ 3.73Å; L471-F552 HydrophobicContact CD2-CE2 4.43Å; V477-F552 HydrophobicContact CG1-CZ 4.34Å; L518-F552 HydrophobicContact CD1-CE2 4.23Å; L518-F552 HydrophobicContact CD2-CE2 4.39Å
553	T	87	Confident	87.6	Confident	45 Å²	45	58.9 Å²	58.9	28%	0.276	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-32.4	176	47.8	0	0	0	0	113.5	F434 G435 A436 Q438	F434-T553 PolarHBondContact O-OG1 2.75Å; G435-T553 VanDerWaalsContact CA-OG1 3.32Å; G435-T553 WeakPolarHBondContact CA-OG1 3.19Å; A436-T553 HydrophobicContact CB-CG2 3.9Å; A436-T553 PolarHBondContact N-OG1 2.9Å; A436-T553 PolarHBondContact O-N 3.38Å; Q438-T553 HydrophobicContact CG-CG2 4.06Å
554	L	84.4	Confident	87.1	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.2	172.1	-70.5	104.6	0	0	0	110.8	W263 F382 A385 A386 A433 F434 L556	W263-L554 HydrophobicContact CB-CD1 4.27Å; W263-L554 HydrophobicContact CB-CD2 3.73Å; W263-L554 HydrophobicContact CB-CG 4.48Å; W263-L554 HydrophobicContact CG-CD2 4.1Å; F382-L554 HydrophobicContact CB-CD2 4.28Å; F382-L554 VanDerWaalsContact O-CD2 3.22Å; F382-L554 WeakPolarHBondContact O-CD2 3.36Å; A385-L554 HydrophobicContact CB-CD2 4.2Å; A386-L554 HydrophobicContact CB-CD2 3.89Å; A386-L554 HydrophobicContact CB-CG 3.83Å; A433-L554 CarbonylContact C-O 3.52Å; A433-L554 WeakPolarHBondContact CA-O 3.23Å; A433-L554 VanDerWaalsContact CB-O 3.29Å; A433-L554 WeakPolarHBondContact CB-O 3.48Å; F434-L554 HydrophobicContact CB-CB 4.36Å; F434-L554 HydrophobicContact CD1-CD1 4.16Å; F434-L554 PolarHBondContact N-O 2.72Å; F434-L554 WeakPolarHBondContact O-CB 3.27Å; F434-L554 PolarHBondContact O-N 3.24Å; L554-L556 HydrophobicContact CB-CD2 4.47Å; L554-L556 HydrophobicContact CD2-CD2 4.5Å
555	N	82.6	Confident	86.6	Confident	20 Å²	20	57.4 Å²	57.4	11%	0.107	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.7	168.1	-70.6	-61.8	0	0	0	109.3	A385 A433 Q511	A385-N555 VanDerWaalsContact CB-O 3.23Å; A385-N555 WeakPolarHBondContact CB-O 2.81Å; A433-N555 WeakPolarHBondContact CB-OD1 3.49Å; Q511-N555 PolarHBondContact NE2-OD1 2.84Å; Q511-N555 VanDerWaalsContact NE2-OD1 3.14Å; Q511-N555 PolarHBondContact OE1-OD1 3.11Å
556	L	78.8	Confident	86	Confident	46 Å²	46	56.9 Å²	56.9	24%	0.241	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-13.7	-170	-55.9	178.5	0	0	0	113.3	F382 A385 P427 D431 I432 L554	F382-L556 HydrophobicContact CD1-CD2 3.68Å; F382-L556 HydrophobicContact CE1-CD2 3.99Å; A385-L556 HydrophobicContact CB-CD2 3.79Å; P427-L556 HydrophobicContact CB-CD1 3.6Å; P427-L556 HydrophobicContact CB-CD2 4.47Å; P427-L556 HydrophobicContact CG-CD1 4.42Å; P427-L556 HydrophobicContact CG-CD2 4.48Å; D431-L556 HydrophobicContact CB-CD1 3.78Å; I432-L556 WeakPolarHBondContact O-CB 3.41Å; I432-L556 PolarHBondContact O-N 2.81Å; L554-L556 HydrophobicContact CB-CD2 4.47Å; L554-L556 HydrophobicContact CD2-CD2 4.5Å
557	Q	65.4	Low	85.3	Confident	136 Å²	136	50.9 Å²	50.9	64%	0.636	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	17.4	179.5	-68.5	-168	-22.5	0	0	114.4	I432	I432-Q557 HydrophobicContact CG2-CG 4.21Å
558	S	50.4	Low	84.3	Confident	109 Å²	109	53.5 Å²	53.5	76%	0.762	28%	0.279	S	S	*	.			trans	-83.6	0	-179	73.5	0	0	0	0	114	R391	R391-S558 PolarHBondContact NH1-OG 3.01Å; R391-S558 PolarHBondContact NH2-OG 3.13Å

Retrieved 558 of 558 residues in 1117.5 ms (Link to these results)

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