A0A077ZA96_TRITR Loading...

Nitric oxide-associated protein 1

AlphaFold DB , UniProt , Accession A0A077ZA96, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 653 aa.

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(Predicted Aligned Error values between residue pairs)

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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	27.2	Very low	28.4	Very low	84 Å²	84	53.3 Å²	53.3	41%	0.414	32%	0.324	S	S	.	.				0	-72.8	0	-92.3	-163.9	-93.7	0	0	113.8	S4 Y5 P393 L395	M1-S4 VanDerWaalsContact C-OG 3.24Å; M1-S4 WeakPolarHBondContact CA-OG 3.29Å; M1-S4 PolarHBondContact N-OG 3.46Å; M1-S4 CarbonylContact O-C 3.51Å; M1-S4 PolarHBondContact O-N 2.94Å; M1-S4 PolarHBondContact O-OG 3.38Å; M1-Y5 VanDerWaalsContact O-CB 3.24Å; M1-Y5 WeakPolarHBondContact O-CB 3.34Å; M1-Y5 PolarHBondContact O-N 2.84Å; M1-P393 HydrophobicContact SD-CG 3.88Å; M1-L395 HydrophobicContact CB-CD1 4.43Å; M1-L395 HydrophobicContact CE-CD2 3.86Å; M1-L395 HydrophobicContact CE-CG 4.06Å
2	L	29.5	Very low	28.1	Very low	17 Å²	17	65.5 Å²	65.5	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-68.6	-41.8	173.1	-85	169.3	0	0	0	112.5	S4 Y5 F6 I346 L394 F467	L2-S4 PolarHBondContact O-N 3.31Å; L2-Y5 HydrophobicContact CD2-CD1 4.48Å; L2-Y5 CarbonylContact O-C 3.59Å; L2-Y5 WeakPolarHBondContact O-CA 3.44Å; L2-Y5 VanDerWaalsContact O-CB 3.32Å; L2-Y5 WeakPolarHBondContact O-CB 3.41Å; L2-Y5 PolarHBondContact O-N 3.46Å; L2-F6 VanDerWaalsContact O-CD2 3.3Å; L2-F6 WeakPolarHBondContact O-CD2 3.34Å; L2-F6 PolarHBondContact O-N 3.42Å; L2-I346 VanDerWaalsContact C-CD1 3.43Å; L2-I346 HydrophobicContact CB-CD1 3.63Å; L2-I346 HydrophobicContact CB-CG1 3.75Å; L2-I346 HydrophobicContact CB-CG2 3.99Å; L2-I346 HydrophobicContact CD1-CG1 4.31Å; L2-I346 HydrophobicContact CD1-CG2 3.96Å; L2-L394 HydrophobicContact CD1-CD2 3.48Å; L2-L394 VanDerWaalsContact CD1-CD2 3.48Å; L2-L394 HydrophobicContact CD2-CD2 4.01Å; L2-L394 HydrophobicContact CG-CD2 3.73Å; L2-F467 HydrophobicContact CD2-CD2 4.12Å; L2-F467 HydrophobicContact CD2-CE2 4.17Å
3	A	27.4	Very low	27.9	Very low	46 Å²	46	74.5 Å²	74.5	38%	0.38	39%	0.394	S	S	.	.	H	α-helix	trans	-62.3	-31.4	173.7	0	0	0	0	0	110.7	F6 S7 I346	A3-F6 CarbonylContact O-C 3.55Å; A3-F6 PolarHBondContact O-N 3.37Å; A3-S7 VanDerWaalsContact O-CA 3.27Å; A3-S7 WeakPolarHBondContact O-CA 3.41Å; A3-S7 WeakPolarHBondContact O-CB 3.13Å; A3-S7 PolarHBondContact O-N 3.06Å; A3-S7 PolarHBondContact O-OG 3.47Å; A3-S7 VanDerWaalsContact O-OG 3.06Å; A3-I346 HydrophobicContact CB-CD1 4.08Å; A3-I346 VanDerWaalsContact N-CD1 3.3Å
4	S	27.5	Very low	27.5	Very low	51 Å²	51	75.5 Å²	75.5	36%	0.357	43%	0.431	S	S	.	.	H	α-helix	trans	-80	-23.4	171.4	55.3	0	0	0	0	114.3	M1 L2 F6 S7 G8 I374	M1-S4 VanDerWaalsContact C-OG 3.24Å; M1-S4 WeakPolarHBondContact CA-OG 3.29Å; M1-S4 PolarHBondContact N-OG 3.46Å; M1-S4 CarbonylContact O-C 3.51Å; M1-S4 PolarHBondContact O-N 2.94Å; M1-S4 PolarHBondContact O-OG 3.38Å; L2-S4 PolarHBondContact O-N 3.31Å; S4-F6 PolarHBondContact O-N 2.96Å; S4-S7 WeakPolarHBondContact CA-OG 3.36Å; S4-S7 PolarHBondContact O-N 3.5Å; S4-G8 PolarHBondContact O-N 3.25Å; S4-I374 WeakPolarHBondContact O-CG2 3.46Å
5	Y	32.7	Very low	27.3	Very low	27 Å²	27	77.7 Å²	77.7	11%	0.106	45%	0.451	C	S	.	.	H	α-helix	trans	-71.7	-17.4	169.4	-179.6	-91.8	0	0	0	111.8	M1 L2 I374 C375 F392 F467	M1-Y5 VanDerWaalsContact O-CB 3.24Å; M1-Y5 WeakPolarHBondContact O-CB 3.34Å; M1-Y5 PolarHBondContact O-N 2.84Å; L2-Y5 HydrophobicContact CD2-CD1 4.48Å; L2-Y5 CarbonylContact O-C 3.59Å; L2-Y5 WeakPolarHBondContact O-CA 3.44Å; L2-Y5 VanDerWaalsContact O-CB 3.32Å; L2-Y5 WeakPolarHBondContact O-CB 3.41Å; L2-Y5 PolarHBondContact O-N 3.46Å; Y5-I374 VanDerWaalsContact CA-CG2 3.49Å; Y5-I374 WeakPolarHBondContact O-CB 3.45Å; Y5-I374 WeakPolarHBondContact O-CD1 3.4Å; Y5-I374 WeakPolarHBondContact O-CG2 3.47Å; Y5-C375 VanDerWaalsContact CE2-SG 3.57Å; Y5-F392 HydrophobicContact CD2-CD2 4.08Å; Y5-F392 HydrophobicContact CD2-CE2 4.24Å; Y5-F392 HydrophobicContact CD2-CG 4.31Å; Y5-F392 AromaticContact CE2-CD2 3.79Å; Y5-F392 HydrophobicContact CE2-CD2 3.79Å; Y5-F392 AromaticContact CE2-CE2 3.66Å; Y5-F392 HydrophobicContact CE2-CE2 3.66Å; Y5-F392 HydrophobicContact CE2-CG 4.45Å; Y5-F392 HydrophobicContact CE2-CZ 4.24Å; Y5-F467 AromaticContact CE1-CE1 3.7Å; Y5-F467 HydrophobicContact CE1-CE1 3.7Å; Y5-F467 AromaticContact CE1-CZ 3.87Å; Y5-F467 HydrophobicContact CE1-CZ 3.87Å; Y5-F467 HydrophobicContact CE2-CD1 4.42Å; Y5-F467 HydrophobicContact CE2-CE1 4.17Å; Y5-F467 AromaticContact CZ-CE1 3.51Å; Y5-F467 WeakPolarHBondContact OH-CE1 3.44Å
6	F	31.6	Very low	27	Very low	13 Å²	13	86.4 Å²	86.4	6%	0.057	48%	0.482	C	S	.	.	H	α-helix	trans	-110.7	-24.1	169.1	-74.8	-79.4	0	0	0	111.9	L2 A3 S4 I334 V342 L345 I346	L2-F6 VanDerWaalsContact O-CD2 3.3Å; L2-F6 WeakPolarHBondContact O-CD2 3.34Å; L2-F6 PolarHBondContact O-N 3.42Å; A3-F6 CarbonylContact O-C 3.55Å; A3-F6 PolarHBondContact O-N 3.37Å; S4-F6 PolarHBondContact O-N 2.96Å; F6-I334 HydrophobicContact CE1-CD1 4.14Å; F6-V342 HydrophobicContact CB-CB 4.04Å; F6-V342 HydrophobicContact CB-CG1 3.16Å; F6-V342 HydrophobicContact CB-CG2 3.77Å; F6-V342 HydrophobicContact CD1-CB 4.39Å; F6-V342 HydrophobicContact CD1-CG1 4.05Å; F6-V342 HydrophobicContact CD1-CG2 3.52Å; F6-V342 HydrophobicContact CD2-CB 4.45Å; F6-V342 HydrophobicContact CD2-CG1 3.4Å; F6-V342 VanDerWaalsContact CD2-CG1 3.4Å; F6-V342 HydrophobicContact CD2-CG2 4.41Å; F6-V342 HydrophobicContact CE1-CG2 4.16Å; F6-V342 HydrophobicContact CE2-CG1 4.24Å; F6-V342 HydrophobicContact CG-CB 4.08Å; F6-V342 HydrophobicContact CG-CG1 3.28Å; F6-V342 HydrophobicContact CG-CG2 3.67Å; F6-L345 HydrophobicContact CE2-CD2 4.31Å; F6-L345 HydrophobicContact CZ-CD2 3.86Å; F6-I346 HydrophobicContact CD2-CD1 4.12Å; F6-I346 HydrophobicContact CD2-CG1 4.41Å; F6-I346 HydrophobicContact CE2-CG1 4.41Å
7	S	28	Very low	26.9	Very low	37 Å²	37	86.8 Å²	86.8	26%	0.259	49%	0.492	S	S	.	.	H	α-helix	trans	-91.8	1.1	178.5	89.8	0	0	0	0	114.2	A3 S4 C9 L10	A3-S7 VanDerWaalsContact O-CA 3.27Å; A3-S7 WeakPolarHBondContact O-CA 3.41Å; A3-S7 WeakPolarHBondContact O-CB 3.13Å; A3-S7 PolarHBondContact O-N 3.06Å; A3-S7 PolarHBondContact O-OG 3.47Å; A3-S7 VanDerWaalsContact O-OG 3.06Å; S4-S7 WeakPolarHBondContact CA-OG 3.36Å; S4-S7 PolarHBondContact O-N 3.5Å; S7-C9 PolarHBondContact O-N 3.25Å; S7-C9 VanDerWaalsContact O-N 3.15Å; S7-L10 WeakPolarHBondContact O-CA 3.42Å; S7-L10 PolarHBondContact O-N 3.35Å
8	G	28.4	Very low	26.8	Very low	43 Å²	43	88.9 Å²	88.9	44%	0.443	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.2	160.8	0	0	0	0	0	112.2	S4	S4-G8 PolarHBondContact O-N 3.25Å
9	C	28.8	Very low	26.6	Very low	37 Å²	37	91.1 Å²	91.1	25%	0.25	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.4	165.9	-95.2	0	0	0	0	115.6	S7 A336	S7-C9 PolarHBondContact O-N 3.25Å; S7-C9 VanDerWaalsContact O-N 3.15Å; C9-A336 WeakPolarHBondContact CB-O 3.35Å
10	L	26.3	Very low	26.4	Very low	80 Å²	80	94.9 Å²	94.9	42%	0.419	54%	0.544	S	S	.	.			trans	-126.1	8.3	-155.9	-97.3	158.7	0	0	0	117.8	S7 R12 G339	S7-L10 WeakPolarHBondContact O-CA 3.42Å; S7-L10 PolarHBondContact O-N 3.35Å; L10-R12 PolarHBondContact O-N 3.5Å; L10-G339 VanDerWaalsContact CD1-CA 3.49Å
11	L	24.8	Very low	26.3	Very low	151 Å²	151	97.1 Å²	97.1	79%	0.791	56%	0.559	S	S	*	*	S	Bend	trans	-92.7	26.3	178.1	-93.3	161.5	0	0	0	114.8
12	R	24.7	Very low	26.1	Very low	200 Å²	200	100.6 Å²	100.6	76%	0.755	58%	0.578	S	S	*	*	S	Bend	trans	-135.5	13.4	-175.6	-82.6	-168.2	177.3	-174.2	-0.2	118.5	L10	L10-R12 PolarHBondContact O-N 3.5Å
13	F	26	Very low	25.7	Very low	183 Å²	183	107 Å²	107	80%	0.803	61%	0.608	S	S	*	*			trans	-135.7	101.7	168.8	-78.7	-82.9	0	0	0	111.4	C15	F13-C15 PolarHBondContact O-N 3.25Å
14	G	22.3	Very low	25.6	Very low	88 Å²	88	113.7 Å²	113.7	91%	0.907	63%	0.628	S	S	*	*			trans	-76.6	112.2	162.1	0	0	0	0	0	109.3
15	C	25	Very low	25.5	Very low	108 Å²	108	115.7 Å²	115.7	73%	0.73	65%	0.648	S	S	*	*			trans	-118.9	117.2	165.5	-166.4	0	0	0	0	108.7	F13 S17	F13-C15 PolarHBondContact O-N 3.25Å; C15-S17 PolarHBondContact O-N 2.78Å
16	K	22.6	Very low	25.1	Very low	218 Å²	218	119.6 Å²	119.6	95%	0.948	68%	0.679	S	S	*	*			trans	-85.8	53.3	-175.2	-72.3	-179.1	171.3	176.6	0	112.9
17	S	24.7	Very low	24.9	Very low	93 Å²	93	129 Å²	129	65%	0.65	72%	0.721	S	S	*	*			trans	-128.3	4.9	-177.9	67.5	0	0	0	0	118.1	C15	C15-S17 PolarHBondContact O-N 2.78Å
18	C	25.3	Very low	24.9	Very low	125 Å²	125	130.6 Å²	130.6	85%	0.845	74%	0.743	S	S	*	*			trans	-114.7	72.5	175.1	-76.2	0	0	0	0	111.8
19	T	22.3	Very low	24.7	Very low	129 Å²	129	134.6 Å²	134.6	79%	0.791	76%	0.764	S	S	*	*			trans	-136.3	64.6	170.7	-42.9	0	0	0	0	109.5
20	L	22.3	Very low	24.7	Very low	168 Å²	168	137.4 Å²	137.4	88%	0.88	79%	0.79	S	S	*	*			trans	-173.7	103.6	165.3	-108	135.5	0	0	0	108.6
21	V	24.6	Very low	24.7	Very low	142 Å²	142	144.6 Å²	144.6	86%	0.861	81%	0.811	S	S	*	*				178.4	93	127.5	173.5	0	0	0	0	105.7
22	L	22.7	Very low	24.7	Very low	157 Å²	157	144.8 Å²	144.8	82%	0.822	81%	0.814	S	S	*	*			trans	-84.4	156.6	159.6	-88.5	159	0	0	0	108.7
23	Q	22.6	Very low	24.9	Very low	152 Å²	152	140.3 Å²	140.3	71%	0.71	82%	0.819	S	S	*	*			trans	112.4	132.6	149.9	-57.8	-173.3	-54.1	0	0	117.6
24	F	24.4	Very low	25	Very low	185 Å²	185	141.3 Å²	141.3	81%	0.811	82%	0.823	S	S	*	*			trans	80.5	120.9	166.1	-44.2	-69.9	0	0	0	114.7
25	A	26	Very low	25.4	Very low	93 Å²	93	141.6 Å²	141.6	77%	0.769	81%	0.812	S	S	*	*			cis	-149.5	138.5	27.1	0	0	0	0	0	112.6
26	S	23.8	Very low	25.7	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	82%	0.815	S	S	*	*			trans	-81.5	111.6	161.7	50.3	0	0	0	0	110.2
27	F	28.5	Very low	26.7	Very low	210 Å²	210	138.3 Å²	138.3	92%	0.921	80%	0.797	S	S	*	*			trans	-153.5	113.6	151.5	-89.9	-82.9	0	0	0	103.7
28	G	27	Very low	27.5	Very low	71 Å²	71	145 Å²	145	73%	0.732	81%	0.808	S	S	*	*				113	98.8	56.3	0	0	0	0	0	106
29	S	24.5	Very low	28.5	Very low	126 Å²	126	148.2 Å²	148.2	88%	0.881	80%	0.802	S	S	*	*			trans	-0.3	113.5	161.2	166.6	0	0	0	0	117.7
30	A	28.4	Very low	29.5	Very low	96 Å²	96	147.1 Å²	147.1	79%	0.793	79%	0.791	S	S	*	*			trans	-155.2	93	145.5	0	0	0	0	0	109.4
31	R	25.9	Very low	30.4	Very low	231 Å²	231	148.5 Å²	148.5	87%	0.872	79%	0.785	S	S	*	*			trans	-72	151.1	146.6	-83.1	176.1	169.4	168.6	-5.3	106.7
32	D	26.3	Very low	31.7	Very low	156 Å²	156	147.4 Å²	147.4	83%	0.834	77%	0.77	S	S	*	*			trans	86.3	77.1	174.8	-49.9	-26	0	0	0	116.4
33	A	28.3	Very low	33	Very low	105 Å²	105	144.4 Å²	144.4	87%	0.868	75%	0.754	S	S	*	*			trans	-149.9	82	147.7	0	0	0	0	0	109.1
34	F	28.4	Very low	33.9	Very low	204 Å²	204	141.7 Å²	141.7	90%	0.895	75%	0.745	S	S	*	*			trans	-67.3	142.2	165.1	-116	-99.5	0	0	0	110
35	S	30.8	Very low	35	Very low	95 Å²	95	138 Å²	138	66%	0.664	73%	0.733	S	S	*	*	S	Bend	trans	79.7	132.6	157	104.5	0	0	0	0	119.3
36	N	31.5	Very low	36.3	Very low	151 Å²	151	138.2 Å²	138.2	81%	0.807	72%	0.718	S	S	*	*			trans	72.5	54.8	148.6	-61.7	-14.9	0	0	0	120.8
37	N	41.8	Very low	37.1	Very low	106 Å²	106	141.8 Å²	141.8	57%	0.567	71%	0.714	S	S	*	*			trans	-144.4	90.2	156	-131.4	-39.3	0	0	0	114.3	R39 L40	N37-R39 PolarHBondContact O-N 3.48Å; N37-L40 HydrophobicContact CB-CB 4.18Å; N37-L40 PolarHBondContact O-N 3.31Å
38	R	41.9	Very low	37.7	Very low	234 Å²	234	136.8 Å²	136.8	88%	0.883	70%	0.697	S	S	*	*	H	α-helix	trans	-54.2	-35.7	174.8	-120.6	-178.1	-168.7	-171.1	3.4	111.9	R41 Q42	R38-R41 PolarHBondContact O-N 3.38Å; R38-Q42 PolarHBondContact O-N 3.47Å
39	R	46.1	Very low	38.2	Very low	191 Å²	191	139.8 Å²	139.8	72%	0.721	69%	0.692	S	S	*	*	H	α-helix	trans	-68.5	-36.4	-176.3	-156	173.6	-174.4	177.7	1	112.7	N37 Q42 L43	N37-R39 PolarHBondContact O-N 3.48Å; R39-Q42 PolarHBondContact O-N 3.19Å; R39-L43 WeakPolarHBondContact O-CG 3.45Å; R39-L43 PolarHBondContact O-N 2.92Å
40	L	43.3	Very low	38.8	Very low	106 Å²	106	140.3 Å²	140.3	56%	0.555	68%	0.68	S	S	*	*	H	α-helix	trans	-72.6	-32.4	179.3	-133.3	141.2	0	0	0	111.6	N37 L44	N37-L40 HydrophobicContact CB-CB 4.18Å; N37-L40 PolarHBondContact O-N 3.31Å; L40-L44 HydrophobicContact CD2-CD1 4.09Å; L40-L44 WeakPolarHBondContact O-CB 3.33Å; L40-L44 WeakPolarHBondContact O-CG 3.45Å; L40-L44 PolarHBondContact O-N 2.87Å
41	R	41.9	Very low	39	Very low	197 Å²	197	143.8 Å²	143.8	74%	0.743	67%	0.674	S	S	*	*	H	α-helix	trans	-67.5	-36.9	172.5	-141.2	179.2	-167.2	-179.7	4.6	112.1	R38 L45	R38-R41 PolarHBondContact O-N 3.38Å; R41-L45 WeakPolarHBondContact O-CG 3.39Å; R41-L45 PolarHBondContact O-N 2.79Å; R41-L45 VanDerWaalsContact O-N 3.1Å
42	Q	51.8	Low	39.5	Very low	119 Å²	119	140 Å²	140	56%	0.556	67%	0.666	S	S	*	*	H	α-helix	trans	-71.5	-44.8	177.3	-161.3	166.5	1	0	0	111.5	R38 R39 L44 L45 E46	R38-Q42 PolarHBondContact O-N 3.47Å; R39-Q42 PolarHBondContact O-N 3.19Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 3.49Å; Q42-L45 PolarHBondContact O-N 3.24Å; Q42-L45 VanDerWaalsContact O-N 3.13Å; Q42-E46 PolarHBondContact O-N 2.94Å
43	L	49.1	Very low	40.1	Very low	94 Å²	94	136.8 Å²	136.8	49%	0.492	65%	0.652	S	S	.	*	H	α-helix	trans	-62.7	-34.9	174.4	-74	166.8	0	0	0	113	R39 R47	R39-L43 WeakPolarHBondContact O-CG 3.45Å; R39-L43 PolarHBondContact O-N 2.92Å; L43-R47 WeakPolarHBondContact O-CB 3.38Å; L43-R47 PolarHBondContact O-N 3.43Å
44	L	43.4	Very low	40.3	Very low	96 Å²	96	135.9 Å²	135.9	50%	0.503	64%	0.636	S	S	.	*	H	α-helix	trans	-69.3	-37.2	173.4	-83.9	163.2	0	0	0	112.3	L40 Q42 L48	L40-L44 HydrophobicContact CD2-CD1 4.09Å; L40-L44 WeakPolarHBondContact O-CB 3.33Å; L40-L44 WeakPolarHBondContact O-CG 3.45Å; L40-L44 PolarHBondContact O-N 2.87Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 3.49Å; L44-L48 WeakPolarHBondContact O-CB 3.21Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.24Å; L44-L48 PolarHBondContact O-N 2.89Å
45	L	47.3	Very low	40.6	Very low	108 Å²	108	131.2 Å²	131.2	57%	0.565	62%	0.617	S	S	*	*	H	α-helix	trans	-68.1	-42.3	174.5	-80.3	162.6	0	0	0	111.8	R41 Q42 L48 Q49	R41-L45 WeakPolarHBondContact O-CG 3.39Å; R41-L45 PolarHBondContact O-N 2.79Å; R41-L45 VanDerWaalsContact O-N 3.1Å; Q42-L45 PolarHBondContact O-N 3.24Å; Q42-L45 VanDerWaalsContact O-N 3.13Å; L45-L48 PolarHBondContact O-N 3Å; L45-Q49 PolarHBondContact O-N 2.76Å
46	E	52.2	Low	40.9	Very low	96 Å²	96	129.2 Å²	129.2	45%	0.449	60%	0.603	S	S	.	*	H	α-helix	trans	-64	-41.6	175.3	-75.1	171.7	-178.1	0	0	111.7	Q42 Q49 Q50	Q42-E46 PolarHBondContact O-N 2.94Å; E46-Q49 PolarHBondContact O-N 3.32Å; E46-Q50 PolarHBondContact O-N 3.46Å
47	R	40.9	Very low	41.1	Very low	185 Å²	185	128.3 Å²	128.3	70%	0.698	59%	0.594	S	S	*	*	H	α-helix	trans	-67.2	-37.5	174	-81.5	-161.4	-163	-176.1	6	113.2	L43 Q50 Y51	L43-R47 WeakPolarHBondContact O-CB 3.38Å; L43-R47 PolarHBondContact O-N 3.43Å; R47-Q50 PolarHBondContact O-N 2.82Å; R47-Y51 WeakPolarHBondContact O-CB 3.32Å; R47-Y51 PolarHBondContact O-N 3.45Å
48	L	41.7	Very low	40.8	Very low	106 Å²	106	130.1 Å²	130.1	56%	0.555	60%	0.598	S	S	*	*	H	α-helix	trans	-67.3	-38.5	176.4	-77.3	167.8	0	0	0	111.5	L44 L45 Y51 E52	L44-L48 WeakPolarHBondContact O-CB 3.21Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.24Å; L44-L48 PolarHBondContact O-N 2.89Å; L45-L48 PolarHBondContact O-N 3Å; L48-Y51 PolarHBondContact O-N 2.82Å; L48-E52 PolarHBondContact O-N 2.81Å
49	Q	37.5	Very low	40.6	Very low	133 Å²	133	126.8 Å²	126.8	62%	0.621	59%	0.586	S	S	*	*	H	α-helix	trans	-63.6	-40.7	172	-79.4	-179.4	-28.5	0	0	112	L45 E46 V53	L45-Q49 PolarHBondContact O-N 2.76Å; E46-Q49 PolarHBondContact O-N 3.32Å; Q49-V53 VanDerWaalsContact O-CG2 3.26Å; Q49-V53 WeakPolarHBondContact O-CG2 3.4Å; Q49-V53 PolarHBondContact O-N 3.35Å
50	Q	36.8	Very low	40.1	Very low	138 Å²	138	121.5 Å²	121.5	65%	0.645	57%	0.571	S	S	*	*	H	α-helix	trans	-66.8	-39.9	175.1	-77.4	-178.6	-18.5	0	0	112.7	E46 R47 V53 T54	E46-Q50 PolarHBondContact O-N 3.46Å; R47-Q50 PolarHBondContact O-N 2.82Å; Q50-V53 PolarHBondContact O-N 2.83Å; Q50-T54 PolarHBondContact O-N 2.83Å; Q50-T54 VanDerWaalsContact O-N 3.11Å; Q50-T54 PolarHBondContact O-OG1 3.44Å; Q50-T54 VanDerWaalsContact O-OG1 3.08Å
51	Y	32.3	Very low	39.7	Very low	169 Å²	169	120.4 Å²	120.4	66%	0.663	57%	0.569	S	S	*	*	H	α-helix	trans	-66.8	-39.8	179.7	-127	-93.9	0	0	0	112.4	R47 L48 V53 T54 E55	R47-Y51 WeakPolarHBondContact O-CB 3.32Å; R47-Y51 PolarHBondContact O-N 3.45Å; L48-Y51 PolarHBondContact O-N 2.82Å; Y51-V53 VanDerWaalsContact C-N 3.27Å; Y51-V53 PolarHBondContact O-N 3.11Å; Y51-T54 WeakPolarHBondContact CA-OG1 3.41Å; Y51-T54 PolarHBondContact O-N 2.93Å; Y51-T54 PolarHBondContact O-OG1 3.35Å; Y51-T54 VanDerWaalsContact O-OG1 3.1Å; Y51-E55 PolarHBondContact O-N 3.29Å; Y51-E55 VanDerWaalsContact O-N 3.11Å
52	E	36.7	Very low	39.3	Very low	150 Å²	150	118.9 Å²	118.9	70%	0.701	57%	0.568	S	S	*	*	H	α-helix	trans	-63.7	-30.4	175.2	-77.7	-175.2	163.8	0	0	112.5	L48 S56	L48-E52 PolarHBondContact O-N 2.81Å; E52-S56 WeakPolarHBondContact O-CB 3.43Å; E52-S56 PolarHBondContact O-OG 2.87Å
53	V	38.8	Very low	38.6	Very low	90 Å²	90	120.1 Å²	120.1	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-76.9	-36.7	176.3	175.5	0	0	0	0	112	Q49 Q50 Y51 S56 H57	Q49-V53 VanDerWaalsContact O-CG2 3.26Å; Q49-V53 WeakPolarHBondContact O-CG2 3.4Å; Q49-V53 PolarHBondContact O-N 3.35Å; Q50-V53 PolarHBondContact O-N 2.83Å; Y51-V53 VanDerWaalsContact C-N 3.27Å; Y51-V53 PolarHBondContact O-N 3.11Å; V53-S56 PolarHBondContact O-OG 2.77Å; V53-H57 PolarHBondContact O-N 3.48Å
54	T	33	Very low	37.9	Very low	85 Å²	85	120.6 Å²	120.6	52%	0.521	58%	0.581	S	S	.	*	H	α-helix	trans	-76.6	-38.2	-179.7	39.3	0	0	0	0	114.1	Q50 Y51 S56 H57 H58	Q50-T54 PolarHBondContact O-N 2.83Å; Q50-T54 VanDerWaalsContact O-N 3.11Å; Q50-T54 PolarHBondContact O-OG1 3.44Å; Q50-T54 VanDerWaalsContact O-OG1 3.08Å; Y51-T54 WeakPolarHBondContact CA-OG1 3.41Å; Y51-T54 PolarHBondContact O-N 2.93Å; Y51-T54 PolarHBondContact O-OG1 3.35Å; Y51-T54 VanDerWaalsContact O-OG1 3.1Å; T54-S56 VanDerWaalsContact C-N 3.3Å; T54-S56 PolarHBondContact O-N 3.29Å; T54-H57 PolarHBondContact O-N 3.33Å; T54-H58 PolarHBondContact O-N 2.91Å
55	E	34.7	Very low	37.5	Very low	106 Å²	106	120 Å²	120	50%	0.495	59%	0.589	S	S	.	*	H	α-helix	trans	-71.4	-29.1	-178.8	-141	-171.1	162.2	0	0	112	Y51 R59	Y51-E55 PolarHBondContact O-N 3.29Å; Y51-E55 VanDerWaalsContact O-N 3.11Å; E55-R59 PolarHBondContact O-N 3.19Å; E55-R59 IonicContact OE1-NH2 3.73Å; E55-R59 PolarHBondContact OE1-NH2 2.9Å
56	S	37.1	Very low	36.7	Very low	53 Å²	53	122.8 Å²	122.8	37%	0.371	60%	0.599	S	S	.	*	H	α-helix	trans	-73.5	-38.6	176.1	49	0	0	0	0	112.5	E52 V53 T54 L60	E52-S56 WeakPolarHBondContact O-CB 3.43Å; E52-S56 PolarHBondContact O-OG 2.87Å; V53-S56 PolarHBondContact O-OG 2.77Å; T54-S56 VanDerWaalsContact C-N 3.3Å; T54-S56 PolarHBondContact O-N 3.29Å; S56-L60 WeakPolarHBondContact O-CB 3.46Å; S56-L60 WeakPolarHBondContact O-CD1 3.36Å; S56-L60 WeakPolarHBondContact O-CG 3.46Å; S56-L60 PolarHBondContact O-N 2.96Å
57	H	34.8	Very low	35.6	Very low	133 Å²	133	125 Å²	125	62%	0.616	61%	0.614	S	S	*	*	H	α-helix	trans	-63.7	-39.6	172.9	-100.8	-94.9	0	0	0	112.6	V53 T54 T61	V53-H57 PolarHBondContact O-N 3.48Å; T54-H57 PolarHBondContact O-N 3.33Å; H57-T61 PolarHBondContact O-N 3.44Å; H57-T61 PolarHBondContact O-OG1 2.91Å; H57-T61 VanDerWaalsContact O-OG1 3.11Å
58	H	34.6	Very low	35	Very low	144 Å²	144	121.2 Å²	121.2	67%	0.667	61%	0.613	S	S	*	*	H	α-helix	trans	-76.8	-30.4	-175	-135.4	0	0	0	0	113.7	T54 T61	T54-H58 PolarHBondContact O-N 2.91Å; H58-T61 PolarHBondContact O-OG1 2.83Å
59	R	38	Very low	34.2	Very low	164 Å²	164	124.7 Å²	124.7	62%	0.619	63%	0.631	S	S	*	*	H	α-helix	trans	-73.6	-37.5	172.4	-74.9	-172.3	-170.7	-167.1	6.4	112.9	E55 T61 K62 E63	E55-R59 PolarHBondContact O-N 3.19Å; E55-R59 IonicContact OE1-NH2 3.73Å; E55-R59 PolarHBondContact OE1-NH2 2.9Å; R59-T61 VanDerWaalsContact C-N 3.34Å; R59-T61 PolarHBondContact O-N 3.47Å; R59-K62 PolarHBondContact O-N 3.34Å; R59-E63 PolarHBondContact O-N 2.79Å; R59-E63 VanDerWaalsContact O-N 3.13Å
60	L	36.1	Very low	33.6	Very low	79 Å²	79	123.4 Å²	123.4	41%	0.414	64%	0.635	S	S	.	*	H	α-helix	trans	-67.4	-30.4	179.6	-81.7	162.1	0	0	0	113.5	S56 K62 T64	S56-L60 WeakPolarHBondContact O-CB 3.46Å; S56-L60 WeakPolarHBondContact O-CD1 3.36Å; S56-L60 WeakPolarHBondContact O-CG 3.46Å; S56-L60 PolarHBondContact O-N 2.96Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-T64 PolarHBondContact O-N 2.96Å; L60-T64 PolarHBondContact O-OG1 3.42Å
61	T	34.2	Very low	33.1	Very low	83 Å²	83	124 Å²	124	51%	0.509	65%	0.648	S	S	.	*	H	α-helix	trans	-74.6	-21.9	173.8	40.5	0	0	0	0	113.8	H57 H58 R59	H57-T61 PolarHBondContact O-N 3.44Å; H57-T61 PolarHBondContact O-OG1 2.91Å; H57-T61 VanDerWaalsContact O-OG1 3.11Å; H58-T61 PolarHBondContact O-OG1 2.83Å; R59-T61 VanDerWaalsContact C-N 3.34Å; R59-T61 PolarHBondContact O-N 3.47Å
62	K	34.8	Very low	32.9	Very low	165 Å²	165	124.8 Å²	124.8	72%	0.717	66%	0.658	S	S	*	*	H	α-helix	trans	-86.5	-37.2	176.4	-101.9	-175.5	172.5	-176.3	0	112.4	R59 L60 A65	R59-K62 PolarHBondContact O-N 3.34Å; L60-K62 VanDerWaalsContact C-N 3.35Å; K62-A65 PolarHBondContact O-N 2.72Å
63	E	35.7	Very low	32.4	Very low	146 Å²	146	129 Å²	129	68%	0.682	67%	0.668	S	S	*	*	H	α-helix	trans	-75.2	-22.3	178.2	-74.2	-179.3	162.2	0	0	113.6	R59	R59-E63 PolarHBondContact O-N 2.79Å; R59-E63 VanDerWaalsContact O-N 3.13Å
64	T	36.1	Very low	31.8	Very low	104 Å²	104	132.8 Å²	132.8	64%	0.638	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-11.1	175.1	42.7	0	0	0	0	114	L60	L60-T64 PolarHBondContact O-N 2.96Å; L60-T64 PolarHBondContact O-OG1 3.42Å
65	A	33.5	Very low	31.5	Very low	82 Å²	82	136.8 Å²	136.8	68%	0.678	70%	0.702	S	S	*	*	S	Bend	trans	-93.2	-8.7	-179	0	0	0	0	0	114.5	K62	K62-A65 PolarHBondContact O-N 2.72Å
66	E	32	Very low	31.1	Very low	167 Å²	167	141.6 Å²	141.6	78%	0.78	72%	0.721	S	S	*	*			trans	-114.4	17.3	-172.2	-67.4	-172.6	172.3	0	0	114.8
67	L	27.7	Very low	30.7	Very low	144 Å²	144	144.3 Å²	144.3	75%	0.754	74%	0.74	S	S	*	*			trans	-81.2	124.3	172.2	-92.7	156.5	0	0	0	111.3	L69	L67-L69 PolarHBondContact O-N 2.96Å
68	P	28.5	Very low	30.4	Very low	104 Å²	104	146.1 Å²	146.1	68%	0.675	75%	0.753	S	S	*	*			trans	-65.9	129.7	-177	-18.1	29.9	0	0	0	113.2	C70	P68-C70 VanDerWaalsContact C-N 3.31Å; P68-C70 PolarHBondContact O-N 3Å
69	L	25.3	Very low	30	Very low	180 Å²	180	144.7 Å²	144.7	94%	0.942	76%	0.757	S	S	*	*			trans	-64.7	78.8	163.8	-76	156.7	0	0	0	110.8	L67	L67-L69 PolarHBondContact O-N 2.96Å
70	C	24.8	Very low	29.3	Very low	105 Å²	105	141.5 Å²	141.5	71%	0.709	77%	0.765	S	S	*	*			trans	-150.6	52.2	178.6	-55.4	0	0	0	0	115.1	P68	P68-C70 VanDerWaalsContact C-N 3.31Å; P68-C70 PolarHBondContact O-N 3Å
71	V	27.1	Very low	28.9	Very low	151 Å²	151	147.7 Å²	147.7	92%	0.915	79%	0.789	S	S	*	*			trans	-151	63.2	153.5	-164.5	0	0	0	0	110.1
72	E	26.4	Very low	28.4	Very low	186 Å²	186	148.1 Å²	148.1	87%	0.869	80%	0.795	S	S	*	*			trans	-133.1	92.1	160.4	-95.3	-171	167.3	0	0	106.9
73	R	27.1	Very low	28.1	Very low	239 Å²	239	147.7 Å²	147.7	90%	0.902	80%	0.801	S	S	*	*			trans	169.7	88.8	164.5	-97	159.5	-165	163.4	5.4	106
74	D	27.3	Very low	27.5	Very low	169 Å²	169	145.3 Å²	145.3	90%	0.904	81%	0.807	S	S	*	*			trans	178.2	56.5	152.2	-84.2	-16.1	0	0	0	108.4
75	L	26.7	Very low	27	Very low	168 Å²	168	145.5 Å²	145.5	88%	0.88	81%	0.812	S	S	*	*			trans	-144.6	80.1	170.1	-98.5	161	0	0	0	105.8
76	K	26.3	Very low	26.5	Very low	208 Å²	208	147.9 Å²	147.9	90%	0.904	82%	0.818	S	S	*	*	S	Bend	trans	164.2	79.8	161	-92.4	164.2	-170.9	-174.2	0	110.1
77	S	27.7	Very low	26.1	Very low	109 Å²	109	149.6 Å²	149.6	76%	0.762	82%	0.823	S	S	*	*			trans	173.4	106.3	144.7	53.8	0	0	0	0	109.5
78	L	28.1	Very low	26	Very low	171 Å²	171	147.8 Å²	147.8	90%	0.895	82%	0.823	S	S	*	*				175.4	142.4	123.8	-88.1	153.1	0	0	0	109
79	P	27.1	Very low	25.6	Very low	115 Å²	115	152 Å²	152	75%	0.747	83%	0.833	S	S	*	*			trans	-100.1	162.1	-151.2	37.2	-31.1	0	0	0	113.9
80	A	22.4	Very low	25.6	Very low	96 Å²	96	152.9 Å²	152.9	79%	0.793	83%	0.833	S	S	*	*			trans	-56.9	138.6	169.9	0	0	0	0	0	112.7
81	K	28.6	Very low	25.5	Very low	209 Å²	209	153 Å²	153	91%	0.909	84%	0.835	S	S	*	*			trans	-154.9	130.3	144.1	-105.9	170.7	-169.9	-175.7	0	110.9
82	S	24	Very low	25.6	Very low	92 Å²	92	150.8 Å²	150.8	64%	0.643	83%	0.832	S	S	*	*			trans	-57.1	147.4	174.5	52.7	0	0	0	0	115.2
83	N	26.9	Very low	25.5	Very low	156 Å²	156	149 Å²	149	83%	0.834	83%	0.829	S	S	*	*				169.4	146.1	107.6	-85.9	-22.7	0	0	0	112.2
84	A	23.1	Very low	25.5	Very low	97 Å²	97	145.7 Å²	145.7	80%	0.802	83%	0.828	S	S	*	*			trans	-78.7	154	-177.7	0	0	0	0	0	113.4
85	S	27.1	Very low	25.3	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	83%	0.826	S	S	*	*			trans	-171.4	113.5	136.3	54.4	0	0	0	0	111.2
86	T	21.7	Very low	25.5	Very low	132 Å²	132	142.2 Å²	142.2	81%	0.81	82%	0.819	S	S	*	*			trans	-13.7	134.6	146	-4.5	0	0	0	0	116.5
87	F	25.2	Very low	25.4	Very low	203 Å²	203	137.6 Å²	137.6	89%	0.89	81%	0.812	S	S	*	*			trans	-146.9	134.4	142.2	-105	-80.5	0	0	0	110.6
88	S	23.8	Very low	25.3	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	82%	0.818	S	S	*	*			trans	-81.4	164.1	-165.3	41.8	0	0	0	0	114.7
89	E	21.7	Very low	25.2	Very low	191 Å²	191	137.1 Å²	137.1	89%	0.893	80%	0.804	S	S	*	*			trans	-53.3	143.5	170.3	-61.6	169.5	144.2	0	0	113.2
90	E	25.4	Very low	25	Very low	199 Å²	199	136.6 Å²	136.6	93%	0.93	80%	0.803	S	S	*	*			trans	-141.7	116	151.2	-110.3	176.2	-173.4	0	0	109.9
91	S	23.1	Very low	25.2	Very low	108 Å²	108	143.4 Å²	143.4	76%	0.755	81%	0.808	S	S	*	*			trans	-69.1	140.2	172	49.3	0	0	0	0	112
92	A	28.3	Very low	25.1	Very low	104 Å²	104	139.2 Å²	139.2	86%	0.86	80%	0.8	S	S	*	*			trans	-131.3	111.1	158.3	0	0	0	0	0	109.7
93	N	23.9	Very low	25.4	Very low	150 Å²	150	141 Å²	141	80%	0.802	80%	0.796	S	S	*	*			trans	-65.1	139.1	170.3	-72.9	-36.2	0	0	0	110.7
94	L	27.7	Very low	25.5	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	79%	0.792	S	S	*	*			trans	-142.1	101.3	151	-151.8	82	0	0	0	109.1
95	D	23.4	Very low	25.8	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	79%	0.794	S	S	*	*			trans	-70.5	134.1	166.2	-90.8	-36.2	0	0	0	110.2
96	S	29.6	Very low	26	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	77%	0.773	S	S	*	*			trans	-159.8	103.2	142.4	41.8	0	0	0	0	110.7
97	S	24.3	Very low	26.4	Very low	110 Å²	110	139 Å²	139	77%	0.769	76%	0.755	S	S	*	*			trans	-13	124.6	152	55.4	0	0	0	0	118.2
98	M	25.7	Very low	26.9	Very low	177 Å²	177	131.4 Å²	131.4	87%	0.872	72%	0.722	S	S	*	*				-177.7	155.9	114.2	-98.7	-152.4	85.1	0	0	111.4
99	P	25.9	Very low	27.2	Very low	93 Å²	93	130.5 Å²	130.5	60%	0.604	71%	0.711	S	S	*	*			trans	-108	150.1	-137.1	40.1	-32.8	0	0	0	114.9
100	S	23.8	Very low	27.5	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	71%	0.706	S	S	*	*			trans	42.2	110.1	140.1	63.5	0	0	0	0	119.6
101	R	26.9	Very low	27.5	Very low	239 Å²	239	124.5 Å²	124.5	90%	0.902	70%	0.699	S	S	*	*				-141.4	104.3	119.3	-72.3	-162.5	175.8	-178.9	-3	110.1
102	T	25	Very low	27.7	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	70%	0.702	S	S	*	*			trans	6.8	108.6	158	29.8	0	0	0	0	118.9
103	F	30.7	Very low	27.4	Very low	128 Å²	128	129.7 Å²	129.7	56%	0.561	70%	0.7	S	S	*	*			trans	-109.1	42.3	169.8	-127.9	-91	0	0	0	111.3	D105 F106	F103-D105 VanDerWaalsContact C-N 3.32Å; F103-D105 PolarHBondContact O-N 3.24Å; F103-F106 HydrophobicContact CD1-CB 4.27Å; F103-F106 AromaticContact CD1-CD2 3.97Å; F103-F106 HydrophobicContact CD1-CD2 3.97Å; F103-F106 HydrophobicContact CD1-CG 4.36Å; F103-F106 AromaticContact CE1-CD2 3.52Å; F103-F106 HydrophobicContact CE1-CD2 3.52Å; F103-F106 AromaticContact CE1-CE2 3.91Å; F103-F106 HydrophobicContact CE1-CE2 3.91Å; F103-F106 HydrophobicContact CE1-CG 4.18Å
104	K	28.5	Very low	27.5	Very low	173 Å²	173	129 Å²	129	75%	0.752	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-78.5	-9	-174.4	-81.4	-173	175.3	-178.6	0	114.6
105	D	29.5	Very low	27.3	Very low	155 Å²	155	127.1 Å²	127.1	83%	0.829	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-95	6.3	-174.3	-59.5	-28	0	0	0	114.3	F103 A107	F103-D105 VanDerWaalsContact C-N 3.32Å; F103-D105 PolarHBondContact O-N 3.24Å; D105-A107 VanDerWaalsContact C-N 3.27Å; D105-A107 PolarHBondContact O-N 3.49Å
106	F	31.3	Very low	27.3	Very low	71 Å²	71	128 Å²	128	31%	0.311	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-91	17.6	174.6	-111.8	-92.8	0	0	0	113.7	F103	F103-F106 HydrophobicContact CD1-CB 4.27Å; F103-F106 AromaticContact CD1-CD2 3.97Å; F103-F106 HydrophobicContact CD1-CD2 3.97Å; F103-F106 HydrophobicContact CD1-CG 4.36Å; F103-F106 AromaticContact CE1-CD2 3.52Å; F103-F106 HydrophobicContact CE1-CD2 3.52Å; F103-F106 AromaticContact CE1-CE2 3.91Å; F103-F106 HydrophobicContact CE1-CE2 3.91Å; F103-F106 HydrophobicContact CE1-CG 4.18Å
107	A	30.2	Very low	27.1	Very low	51 Å²	51	129 Å²	129	42%	0.421	70%	0.696	S	S	.	*	S	Bend	trans	-97.1	138.1	175.9	0	0	0	0	0	110.8	D105 T109	D105-A107 VanDerWaalsContact C-N 3.27Å; D105-A107 PolarHBondContact O-N 3.49Å; A107-T109 PolarHBondContact O-N 2.81Å; A107-T109 PolarHBondContact O-OG1 3.21Å
108	F	35.7	Very low	27.1	Very low	45 Å²	45	128.8 Å²	128.8	20%	0.197	70%	0.695	C	S	.	*			trans	-34.6	103.5	165.1	-64.2	-65.8	0	0	0	111.4	R517 N548 Y551 L579 W624	F108-R517 VanDerWaalsContact CE2-NH1 3.33Å; F108-N548 HydrophobicContact CD2-CB 4.45Å; F108-N548 WeakPolarHBondContact CD2-OD1 3.26Å; F108-N548 HydrophobicContact CE2-CB 4.14Å; F108-N548 WeakPolarHBondContact CE2-OD1 3.34Å; F108-Y551 HydrophobicContact CZ-CG 4.43Å; F108-L579 HydrophobicContact CE1-CB 4.22Å; F108-W624 HydrophobicContact CB-CE3 4.48Å; F108-W624 HydrophobicContact CB-CH2 3.45Å; F108-W624 VanDerWaalsContact CB-CH2 3.45Å; F108-W624 HydrophobicContact CB-CZ2 4.32Å; F108-W624 HydrophobicContact CB-CZ3 3.54Å; F108-W624 AromaticContact CD1-CD2 3.85Å; F108-W624 HydrophobicContact CD1-CD2 3.85Å; F108-W624 AromaticContact CD1-CE3 3.27Å; F108-W624 HydrophobicContact CD1-CE3 3.27Å; F108-W624 AromaticContact CD1-CH2 3.69Å; F108-W624 HydrophobicContact CD1-CH2 3.69Å; F108-W624 HydrophobicContact CD1-CZ2 4.15Å; F108-W624 AromaticContact CD1-CZ3 3.21Å; F108-W624 HydrophobicContact CD1-CZ3 3.21Å; F108-W624 HydrophobicContact CE1-CD2 4.08Å; F108-W624 AromaticContact CE1-CE3 3.85Å; F108-W624 HydrophobicContact CE1-CE3 3.85Å; F108-W624 HydrophobicContact CE1-CZ3 4.22Å; F108-W624 HydrophobicContact CG-CE3 4.25Å; F108-W624 AromaticContact CG-CH2 3.86Å; F108-W624 HydrophobicContact CG-CH2 3.86Å; F108-W624 HydrophobicContact CG-CZ2 4.39Å; F108-W624 AromaticContact CG-CZ3 3.76Å; F108-W624 HydrophobicContact CG-CZ3 3.76Å
109	T	30	Very low	27.1	Very low	87 Å²	87	124.7 Å²	124.7	53%	0.534	69%	0.689	S	S	.	*			trans	-100.8	126.8	-177.3	12.7	0	0	0	0	109.7	A107	A107-T109 PolarHBondContact O-N 2.81Å; A107-T109 PolarHBondContact O-OG1 3.21Å
110	E	27.7	Very low	27.1	Very low	169 Å²	169	126.7 Å²	126.7	79%	0.79	69%	0.694	S	S	*	*			trans	-68.9	128.7	168.8	-70.6	179.1	168.3	0	0	109.3	K112	E110-K112 PolarHBondContact O-N 2.94Å
111	A	27.4	Very low	27.3	Very low	95 Å²	95	133 Å²	133	79%	0.785	70%	0.702	S	S	*	*			trans	-69.9	98.6	178.8	0	0	0	0	0	110.7
112	K	25.8	Very low	27.3	Very low	187 Å²	187	128.7 Å²	128.7	81%	0.813	70%	0.697	S	S	*	*			trans	-80.2	128.7	157.8	-78.8	-175.2	178.4	178.2	0	109.1	E110 V114	E110-K112 PolarHBondContact O-N 2.94Å; K112-V114 PolarHBondContact O-N 2.97Å
113	V	22.7	Very low	27.5	Very low	134 Å²	134	129.2 Å²	129.2	81%	0.812	70%	0.695	S	S	*	*			trans	-50.8	123.4	173.5	179.6	0	0	0	0	109.8
114	V	26.2	Very low	27.2	Very low	136 Å²	136	132.1 Å²	132.1	82%	0.824	70%	0.702	S	S	*	*			trans	-132.4	121.2	166.1	-175.8	0	0	0	0	108.6	K112	K112-V114 PolarHBondContact O-N 2.97Å
115	D	22.9	Very low	27	Very low	130 Å²	130	124.7 Å²	124.7	70%	0.695	67%	0.674	S	S	*	*			trans	-65.1	159.3	-179.5	-82.7	-46.4	0	0	0	114
116	H	23.9	Very low	27	Very low	178 Å²	178	122.2 Å²	122.2	82%	0.824	66%	0.656	S	S	*	*			trans	-22.2	122.7	166.4	-58.5	-70.3	0	0	0	116.2
117	C	24.3	Very low	26.9	Very low	124 Å²	124	126.3 Å²	126.3	84%	0.838	68%	0.676	S	S	*	*			trans	-155.7	121.8	147.6	-109.6	0	0	0	0	112.3
118	S	25.6	Very low	26.9	Very low	107 Å²	107	127 Å²	127	75%	0.748	68%	0.675	S	S	*	*			trans	30.2	124.9	150.6	55.6	0	0	0	0	121
119	A	25	Very low	26.8	Very low	90 Å²	90	134.8 Å²	134.8	74%	0.744	70%	0.703	S	S	*	*			trans	-42.8	134.2	155.8	0	0	0	0	0	112.8
120	D	25.7	Very low	27.2	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	73%	0.725	S	S	*	*			trans	172.2	91.6	147.6	-89.4	-17.6	0	0	0	109.2
121	W	29	Very low	27.7	Very low	237 Å²	237	135 Å²	135	90%	0.898	72%	0.718	S	S	*	*			trans	-139.8	82.1	162.4	-64.7	99.8	0	0	0	110
122	L	26.2	Very low	28.2	Very low	150 Å²	150	133.6 Å²	133.6	79%	0.785	71%	0.712	S	S	*	*			trans	-71.7	137	156.7	-89.7	131.3	0	0	0	110.1
123	D	28.1	Very low	28.6	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	71%	0.706	S	S	*	*			trans	53	115.1	133.1	-150.6	14.9	0	0	0	119.5
124	R	25.8	Very low	29.1	Very low	188 Å²	188	133.5 Å²	133.5	71%	0.709	71%	0.707	S	S	*	*			trans	-151.9	87.1	159.1	-67.2	-164.4	-168.9	-175	4.1	111.8	F126	R124-F126 HydrophobicContact CB-CE2 4.17Å; R124-F126 HydrophobicContact CG-CE2 4.48Å
125	G	25	Very low	29.3	Very low	17 Å²	17	129.7 Å²	129.7	18%	0.175	68%	0.684	C	S	.	*			trans	-89.8	164.9	153.1	0	0	0	0	0	114.2	D136 E137	G125-D136 CarbonylContact C-O 3.57Å; G125-D136 VanDerWaalsContact C-O 3.27Å; G125-D136 VanDerWaalsContact CA-O 3.29Å; G125-D136 WeakPolarHBondContact CA-O 3.44Å; G125-E137 VanDerWaalsContact CA-OE1 3.26Å; G125-E137 WeakPolarHBondContact CA-OE1 3.34Å
126	F	27.8	Very low	29.7	Very low	103 Å²	103	128.8 Å²	128.8	45%	0.452	68%	0.679	S	S	.	*			trans	-172	139	-173.8	-85.3	-41.3	0	0	0	112.1	R124 V135 D136 E137	R124-F126 HydrophobicContact CB-CE2 4.17Å; R124-F126 HydrophobicContact CG-CE2 4.48Å; F126-V135 CarbonylContact C-O 3.41Å; F126-V135 VanDerWaalsContact C-O 3.28Å; F126-V135 HydrophobicContact CB-CB 3.32Å; F126-V135 HydrophobicContact CB-CG1 3.24Å; F126-V135 HydrophobicContact CD1-CB 4.11Å; F126-V135 HydrophobicContact CD1-CG1 3.23Å; F126-V135 HydrophobicContact CD2-CG1 3.71Å; F126-V135 HydrophobicContact CE1-CG1 3.99Å; F126-V135 HydrophobicContact CE2-CG1 4.39Å; F126-V135 HydrophobicContact CG-CB 3.81Å; F126-V135 HydrophobicContact CG-CG1 3.08Å; F126-V135 CarbonylContact O-C 3.48Å; F126-D136 VanDerWaalsContact CB-O 3.3Å; F126-D136 WeakPolarHBondContact CB-O 3.45Å; F126-D136 PolarHBondContact N-O 3.36Å; F126-D136 CarbonylContact O-C 3.59Å; F126-D136 WeakPolarHBondContact O-CA 3.21Å; F126-D136 PolarHBondContact O-N 3.09Å; F126-D136 VanDerWaalsContact O-N 3.15Å; F126-E137 PolarHBondContact O-N 3.09Å
127	H	29.4	Very low	30	Very low	157 Å²	157	124.8 Å²	124.8	73%	0.727	66%	0.661	S	S	*	*			trans	-121.1	149.7	-176.9	-110.9	-84.8	0	0	0	110.8	V135	H127-V135 WeakPolarHBondContact O-CB 3.47Å; H127-V135 WeakPolarHBondContact O-CG2 3.42Å
128	V	30	Very low	30.3	Very low	67 Å²	67	129 Å²	129	41%	0.406	66%	0.66	S	S	.	*			trans	-97.2	120.2	168.2	-173.2	0	0	0	0	111.4	K133 I134	V128-K133 WeakPolarHBondContact CA-O 3.49Å; V128-K133 WeakPolarHBondContact CB-O 3.47Å; V128-K133 VanDerWaalsContact CG1-C 3.45Å; V128-K133 WeakPolarHBondContact CG1-O 3.24Å; V128-K133 WeakPolarHBondContact CG2-O 3.39Å; V128-I134 HydrophobicContact CG2-CB 4.37Å
129	R	34.1	Very low	30.5	Very low	208 Å²	208	128.7 Å²	128.7	79%	0.785	65%	0.654	S	S	*	*			trans	-72.5	163.3	169.2	-82.7	179.7	168.5	159.5	-1.7	111	D131 G132	R129-D131 WeakPolarHBondContact CB-OD1 3.35Å; R129-D131 PolarHBondContact O-N 3.03Å; R129-G132 PolarHBondContact O-N 2.94Å; R129-G132 VanDerWaalsContact O-N 3.13Å
130	S	38.7	Very low	30.7	Very low	140 Å²	140	132.4 Å²	132.4	98%	0.979	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	3.8	-176	46.1	0	0	0	0	116.3
131	D	38.9	Very low	30.8	Very low	121 Å²	121	129.7 Å²	129.7	65%	0.647	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	3.6	178.9	55.9	-26.1	0	0	0	114.6	R129	R129-D131 WeakPolarHBondContact CB-OD1 3.35Å; R129-D131 PolarHBondContact O-N 3.03Å
132	G	35.9	Very low	30.8	Very low	65 Å²	65	121.4 Å²	121.4	67%	0.67	64%	0.643	S	S	*	*			trans	86.8	24.9	162.4	0	0	0	0	0	117.8	R129	R129-G132 PolarHBondContact O-N 2.94Å; R129-G132 VanDerWaalsContact O-N 3.13Å
133	K	35.4	Very low	31.2	Very low	158 Å²	158	120.6 Å²	120.6	69%	0.687	64%	0.644	S	S	*	*			trans	-106.8	121.1	174	-81.3	-177.1	176.3	175.6	0	114	V128 V135	V128-K133 WeakPolarHBondContact CA-O 3.49Å; V128-K133 WeakPolarHBondContact CB-O 3.47Å; V128-K133 VanDerWaalsContact CG1-C 3.45Å; V128-K133 WeakPolarHBondContact CG1-O 3.24Å; V128-K133 WeakPolarHBondContact CG2-O 3.39Å; K133-V135 WeakPolarHBondContact O-CG2 3.31Å
134	I	32.6	Very low	31.6	Very low	161 Å²	161	120.6 Å²	120.6	83%	0.826	64%	0.644	S	S	*	*			trans	-68.7	131	-173.3	-56.9	172.4	0	0	0	114.4	V128	V128-I134 HydrophobicContact CG2-CB 4.37Å
135	V	31.8	Very low	32.1	Very low	55 Å²	55	118.1 Å²	118.1	33%	0.333	65%	0.645	S	S	.	*			trans	-151.6	138	173.5	-124.3	0	0	0	0	107.8	F126 H127 K133	F126-V135 CarbonylContact C-O 3.41Å; F126-V135 VanDerWaalsContact C-O 3.28Å; F126-V135 HydrophobicContact CB-CB 3.32Å; F126-V135 HydrophobicContact CB-CG1 3.24Å; F126-V135 HydrophobicContact CD1-CB 4.11Å; F126-V135 HydrophobicContact CD1-CG1 3.23Å; F126-V135 HydrophobicContact CD2-CG1 3.71Å; F126-V135 HydrophobicContact CE1-CG1 3.99Å; F126-V135 HydrophobicContact CE2-CG1 4.39Å; F126-V135 HydrophobicContact CG-CB 3.81Å; F126-V135 HydrophobicContact CG-CG1 3.08Å; F126-V135 CarbonylContact O-C 3.48Å; H127-V135 WeakPolarHBondContact O-CB 3.47Å; H127-V135 WeakPolarHBondContact O-CG2 3.42Å; K133-V135 WeakPolarHBondContact O-CG2 3.31Å
136	D	30	Very low	32.5	Very low	111 Å²	111	124 Å²	124	59%	0.594	67%	0.672	S	S	*	*			trans	-109.1	125.9	-164.6	-163.2	14.6	0	0	0	118.3	G125 F126	G125-D136 CarbonylContact C-O 3.57Å; G125-D136 VanDerWaalsContact C-O 3.27Å; G125-D136 VanDerWaalsContact CA-O 3.29Å; G125-D136 WeakPolarHBondContact CA-O 3.44Å; F126-D136 VanDerWaalsContact CB-O 3.3Å; F126-D136 WeakPolarHBondContact CB-O 3.45Å; F126-D136 PolarHBondContact N-O 3.36Å; F126-D136 CarbonylContact O-C 3.59Å; F126-D136 WeakPolarHBondContact O-CA 3.21Å; F126-D136 PolarHBondContact O-N 3.09Å; F126-D136 VanDerWaalsContact O-N 3.15Å
137	E	31.6	Very low	32.5	Very low	95 Å²	95	124.7 Å²	124.7	44%	0.444	69%	0.687	S	S	.	*			trans	-135	96.8	174.6	-156.3	150.7	-150.3	0	0	113.4	G125 F126	G125-E137 VanDerWaalsContact CA-OE1 3.26Å; G125-E137 WeakPolarHBondContact CA-OE1 3.34Å; F126-E137 PolarHBondContact O-N 3.09Å
138	Y	29.1	Very low	32.8	Very low	211 Å²	211	124.8 Å²	124.8	83%	0.827	69%	0.692	S	S	*	*			trans	-90.7	99	158.5	-92.1	-91.9	0	0	0	108.9
139	T	29.8	Very low	32.7	Very low	101 Å²	101	130.3 Å²	130.3	62%	0.62	71%	0.713	S	S	*	*			trans	-96.5	125.6	170.1	0.3	0	0	0	0	109.8	G141	T139-G141 PolarHBondContact O-N 2.69Å; T139-G141 VanDerWaalsContact O-N 3.12Å
140	L	30.4	Very low	32.6	Very low	168 Å²	168	128 Å²	128	88%	0.88	72%	0.717	S	S	*	*			trans	-49.5	116.8	161.4	-98.6	141.1	0	0	0	107.9	S142	L140-S142 PolarHBondContact O-N 2.96Å
141	G	27.7	Very low	32.1	Very low	79 Å²	79	131.6 Å²	131.6	81%	0.814	71%	0.714	S	S	*	*			trans	-59	100.4	174.8	0	0	0	0	0	110.3	T139	T139-G141 PolarHBondContact O-N 2.69Å; T139-G141 VanDerWaalsContact O-N 3.12Å
142	S	29.1	Very low	31.7	Very low	62 Å²	62	133.9 Å²	133.9	43%	0.434	72%	0.721	S	S	.	*			trans	-78.6	143.7	161.4	-171.1	0	0	0	0	107.8	L140 D144	L140-S142 PolarHBondContact O-N 2.96Å; S142-D144 PolarHBondContact O-N 3.46Å; S142-D144 VanDerWaalsContact OG-CG 3.31Å; S142-D144 PolarHBondContact OG-OD2 3Å
143	T	33.4	Very low	31.4	Very low	133 Å²	133	135.4 Å²	135.4	82%	0.816	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	8.5	173.1	29.9	0	0	0	0	114.3
144	D	37	Very low	31.1	Very low	132 Å²	132	131 Å²	131	71%	0.706	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-11.4	-174.5	-59.6	-38.4	0	0	0	113.6	S142	S142-D144 PolarHBondContact O-N 3.46Å; S142-D144 VanDerWaalsContact OG-CG 3.31Å; S142-D144 PolarHBondContact OG-OD2 3Å
145	D	35.9	Very low	30.9	Very low	136 Å²	136	126.4 Å²	126.4	73%	0.727	68%	0.683	S	S	*	*	S	Bend	trans	-95.6	8.8	-175.4	-64.8	-35.3	0	0	0	114.8
146	L	33.6	Very low	30.7	Very low	141 Å²	141	128.6 Å²	128.6	74%	0.738	70%	0.697	S	S	*	*			trans	-110	115.9	177.3	-73.9	170.9	0	0	0	111.5	L148	L146-L148 PolarHBondContact O-N 3.42Å
147	P	27.5	Very low	30.6	Very low	118 Å²	118	127 Å²	127	77%	0.766	69%	0.687	S	S	*	*			trans	-84.7	81	-176.9	33.6	-32.2	0	0	0	109.7
148	L	37.2	Very low	30.4	Very low	158 Å²	158	131.6 Å²	131.6	83%	0.827	71%	0.706	S	S	*	*			trans	-140	108.3	175.1	-72.9	173.5	0	0	0	113.5	L146	L146-L148 PolarHBondContact O-N 3.42Å
149	E	27.8	Very low	30.3	Very low	184 Å²	184	126.8 Å²	126.8	86%	0.86	69%	0.69	S	S	*	*			trans	-53.6	145.6	163.7	-60.3	175.2	150.5	0	0	110.9
150	N	30.9	Very low	30.2	Very low	160 Å²	160	131.3 Å²	131.3	86%	0.856	70%	0.704	S	S	*	*			trans	89.5	88.9	179.7	-55.5	-36.3	0	0	0	116.7	E152	N150-E152 PolarHBondContact O-N 3.48Å
151	K	28.7	Very low	30.1	Very low	214 Å²	214	131.8 Å²	131.8	93%	0.93	70%	0.701	S	S	*	*			trans	-72	81.9	174.6	-69.3	177.7	174.5	176	0	112.5
152	E	29.8	Very low	30.1	Very low	169 Å²	169	133 Å²	133	79%	0.79	70%	0.695	S	S	*	*			trans	-138.7	84.7	158.3	-71	-167.2	169.1	0	0	110.6	N150 V154	N150-E152 PolarHBondContact O-N 3.48Å; E152-V154 VanDerWaalsContact C-N 3.34Å; E152-V154 PolarHBondContact O-N 2.85Å
153	S	30	Very low	29.9	Very low	97 Å²	97	139 Å²	139	68%	0.678	72%	0.715	S	S	*	*			trans	-77.9	81.2	174.4	40.6	0	0	0	0	111.1
154	V	28.3	Very low	29.8	Very low	67 Å²	67	142 Å²	142	41%	0.406	72%	0.72	S	S	.	*			trans	-74.8	123.4	173.8	178.9	0	0	0	0	110.1	E152 T156 R195	E152-V154 VanDerWaalsContact C-N 3.34Å; E152-V154 PolarHBondContact O-N 2.85Å; V154-T156 WeakPolarHBondContact CG1-OG1 3.44Å; V154-R195 PolarHBondContact O-NH1 3.19Å
155	E	28.5	Very low	29.5	Very low	63 Å²	63	140.5 Å²	140.5	29%	0.294	73%	0.727	S	S	.	*			trans	-123.5	114.4	157.3	-84.1	-174.9	171.1	0	0	108.8
156	T	27.9	Very low	28.9	Very low	102 Å²	102	140.4 Å²	140.4	63%	0.626	73%	0.731	S	S	*	*			trans	-107.4	117.9	-180	-21.7	0	0	0	0	108.7	V154	V154-T156 WeakPolarHBondContact CG1-OG1 3.44Å
157	I	28.1	Very low	28.7	Very low	76 Å²	76	139.4 Å²	139.4	39%	0.39	73%	0.731	S	S	.	*			trans	-108.8	141.2	177	-55.6	153.2	0	0	0	107	K381	I157-K381 HydrophobicContact CB-CD 3.65Å; I157-K381 HydrophobicContact CB-CG 4.32Å; I157-K381 VanDerWaalsContact CB-NZ 3.32Å; I157-K381 HydrophobicContact CD1-CD 4.21Å; I157-K381 HydrophobicContact CD1-CG 3.91Å; I157-K381 HydrophobicContact CG1-CD 4.45Å; I157-K381 HydrophobicContact CG2-CD 4.26Å; I157-K381 PolarHBondContact O-NZ 3.2Å
158	F	28.1	Very low	28.6	Very low	193 Å²	193	141 Å²	141	85%	0.846	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-95.9	142	171	-73.3	-91.3	0	0	0	111
159	F	27.1	Very low	28.2	Very low	110 Å²	110	142.4 Å²	142.4	48%	0.482	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-102	137.6	172.7	-78	-72.4	0	0	0	109.3	S379 K381	F159-S379 WeakPolarHBondContact CZ-O 2.99Å; F159-K381 HydrophobicContact CD2-CD 4.21Å; F159-K381 HydrophobicContact CE2-CD 3.62Å; F159-K381 HydrophobicContact CE2-CG 4.23Å; F159-K381 HydrophobicContact CZ-CD 4.18Å; F159-K381 HydrophobicContact CZ-CG 4.44Å
160	Q	27.4	Very low	28.1	Very low	195 Å²	195	137.4 Å²	137.4	91%	0.911	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-97.6	139.6	167.3	-74.6	-176.6	-25.6	0	0	110.4
161	H	28.2	Very low	28	Very low	179 Å²	179	136.4 Å²	136.4	83%	0.829	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-60.1	147.7	-171.8	-63.1	-84.1	0	0	0	114.5
162	P	26.7	Very low	28	Very low	105 Å²	105	134.4 Å²	134.4	68%	0.682	72%	0.724	S	S	*	*	S	Bend	trans	-72	145.8	164.6	31.5	-29.8	0	0	0	109.6
163	H	26.2	Very low	27.9	Very low	186 Å²	186	131.1 Å²	131.1	86%	0.861	73%	0.725	S	S	*	*			trans	100.1	48.3	175.9	-48.8	-65	0	0	0	119.5
164	Q	30.3	Very low	28.1	Very low	196 Å²	196	132.5 Å²	132.5	92%	0.916	73%	0.73	S	S	*	*			trans	-119.1	127.9	157.4	-80.4	-179.4	-23.6	0	0	111.8
165	A	30.2	Very low	28.4	Very low	102 Å²	102	138.5 Å²	138.5	84%	0.843	75%	0.75	S	S	*	*			trans	-66.4	148.6	-170.4	0	0	0	0	0	113.3	T167	A165-T167 PolarHBondContact O-N 2.83Å
166	T	23.6	Very low	28.8	Very low	134 Å²	134	138.9 Å²	138.9	82%	0.822	76%	0.758	S	S	*	*			trans	-81.1	109.2	171.3	46	0	0	0	0	110
167	T	29.6	Very low	29.5	Very low	119 Å²	119	138 Å²	138	73%	0.73	75%	0.749	S	S	*	*			trans	-81.4	126.5	157.1	43.9	0	0	0	0	109.2	A165 F169	A165-T167 PolarHBondContact O-N 2.83Å; T167-F169 PolarHBondContact O-N 3.49Å
168	D	24.8	Very low	30.4	Very low	152 Å²	152	142.9 Å²	142.9	81%	0.813	76%	0.763	S	S	*	*			trans	-54.8	121	176.9	-66.9	-48.4	0	0	0	112.3
169	F	29	Very low	31.3	Very low	188 Å²	188	140 Å²	140	83%	0.825	75%	0.75	S	S	*	*			trans	-143.2	123.4	158	-81	-76.9	0	0	0	110	T167 V171	T167-F169 PolarHBondContact O-N 3.49Å; F169-V171 PolarHBondContact O-N 3.02Å
170	G	26.1	Very low	32.4	Very low	78 Å²	78	139.2 Å²	139.2	80%	0.804	75%	0.751	S	S	*	*			trans	-58.1	124.7	176.8	0	0	0	0	0	111.3	Q172	G170-Q172 PolarHBondContact O-N 3.46Å; G170-Q172 VanDerWaalsContact O-N 3.09Å
171	V	30.1	Very low	33.6	Very low	139 Å²	139	132.1 Å²	132.1	84%	0.842	72%	0.717	S	S	*	*			trans	-76.7	97.7	174.3	-179.3	0	0	0	0	108	F169 A173	F169-V171 PolarHBondContact O-N 3.02Å; V171-A173 PolarHBondContact O-N 2.65Å
172	Q	27.2	Very low	35	Very low	172 Å²	172	129.3 Å²	129.3	80%	0.804	70%	0.7	S	S	*	*			trans	-59.9	123.5	154.6	-73.9	-178.1	-5.6	0	0	107.6	G170 V174	G170-Q172 PolarHBondContact O-N 3.46Å; G170-Q172 VanDerWaalsContact O-N 3.09Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-V174 PolarHBondContact O-N 3.06Å
173	A	29.2	Very low	36.7	Very low	100 Å²	100	125.3 Å²	125.3	83%	0.826	68%	0.678	S	S	*	*			trans	-68.9	90.9	174.9	0	0	0	0	0	109.5	V171 K175	V171-A173 PolarHBondContact O-N 2.65Å; A173-K175 PolarHBondContact O-N 2.84Å
174	V	33.5	Very low	39	Very low	127 Å²	127	120.3 Å²	120.3	77%	0.77	66%	0.661	S	S	*	*			trans	-69.9	113.8	168	-177.7	0	0	0	0	107.4	Q172	Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-V174 PolarHBondContact O-N 3.06Å
175	K	33.4	Very low	41.3	Very low	193 Å²	193	115.4 Å²	115.4	84%	0.839	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-58	126.6	167.1	-85.7	-179.2	176.9	176.3	0	107.6	A173 D177	A173-K175 PolarHBondContact O-N 2.84Å; K175-D177 PolarHBondContact O-N 3.32Å
176	P	36.9	Very low	43.7	Very low	71 Å²	71	112.6 Å²	112.6	46%	0.461	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-68.5	132.6	-179.5	31.8	-36.1	0	0	0	109.5	W178 F181	P176-W178 PolarHBondContact O-N 2.77Å; P176-F181 HydrophobicContact CB-CE2 3.7Å; P176-F181 HydrophobicContact CB-CZ 3.6Å; P176-F181 HydrophobicContact CG-CE2 4.16Å; P176-F181 HydrophobicContact CG-CZ 3.97Å
177	D	44.6	Very low	46.3	Very low	82 Å²	82	110.1 Å²	110.1	44%	0.439	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-72	127.8	176.5	-161.8	-4.9	0	0	0	108.2	K175 K179 D180 F181	K175-D177 PolarHBondContact O-N 3.32Å; D177-K179 PolarHBondContact O-N 3Å; D177-K179 VanDerWaalsContact O-N 3.08Å; D177-D180 WeakPolarHBondContact O-CB 3.47Å; D177-D180 PolarHBondContact O-N 3.28Å; D177-F181 WeakPolarHBondContact O-CD2 2.91Å; D177-F181 WeakPolarHBondContact O-CE2 3.27Å
178	W	46.1	Very low	48.6	Very low	179 Å²	179	109 Å²	109	68%	0.678	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-62.6	-21.1	-172.8	62.5	-84.3	0	0	0	112.3	P176 D180 F181	P176-W178 PolarHBondContact O-N 2.77Å; W178-D180 PolarHBondContact O-N 2.93Å; W178-F181 PolarHBondContact O-N 3.43Å
179	K	47.9	Very low	51.2	Low	134 Å²	134	103.2 Å²	103.2	58%	0.583	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-64.6	-22.1	174.7	-63.8	-179.8	178.8	179.8	0	113.5	D177 F181	D177-K179 PolarHBondContact O-N 3Å; D177-K179 VanDerWaalsContact O-N 3.08Å; K179-F181 PolarHBondContact O-N 3.43Å
180	D	50.1	Low	53.7	Low	92 Å²	92	99 Å²	99	49%	0.492	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-75.1	-9.3	177.2	-69.9	-20	0	0	0	113	D177 W178	D177-D180 WeakPolarHBondContact O-CB 3.47Å; D177-D180 PolarHBondContact O-N 3.28Å; W178-D180 PolarHBondContact O-N 2.93Å
181	F	51.3	Low	56.4	Low	46 Å²	46	99 Å²	99	20%	0.202	55%	0.546	C	S	.	.	S	Bend	trans	-102.8	-17.7	-170.4	-63.4	-85.9	0	0	0	114.5	P176 D177 W178 K179 R233 L237 H241	P176-F181 HydrophobicContact CB-CE2 3.7Å; P176-F181 HydrophobicContact CB-CZ 3.6Å; P176-F181 HydrophobicContact CG-CE2 4.16Å; P176-F181 HydrophobicContact CG-CZ 3.97Å; D177-F181 WeakPolarHBondContact O-CD2 2.91Å; D177-F181 WeakPolarHBondContact O-CE2 3.27Å; W178-F181 PolarHBondContact O-N 3.43Å; K179-F181 PolarHBondContact O-N 3.43Å; F181-R233 VanDerWaalsContact O-CZ 3.26Å; F181-R233 PolarHBondContact O-NE 3.37Å; F181-R233 PolarHBondContact O-NH2 3.27Å; F181-L237 HydrophobicContact CD1-CD2 3.92Å; F181-L237 HydrophobicContact CE1-CD2 3.86Å; F181-H241 AromaticContact CZ-CE1 3.97Å; F181-H241 AromaticContact CZ-NE2 4Å
182	Y	57.3	Low	58.8	Low	120 Å²	120	93.3 Å²	93.3	47%	0.471	51%	0.513	S	S	.	.			trans	-136.2	137.4	-173	-62.6	-92.1	0	0	0	110.3	E486	Y182-E486 PolarHBondContact OH-OE1 2.8Å
183	G	63.4	Low	61.3	Low	22 Å²	22	94 Å²	94	23%	0.227	52%	0.516	C	S	.	.			trans	-157.6	178.9	157.7	0	0	0	0	0	108.7	E217	G183-E217 WeakPolarHBondContact CA-OE2 3.27Å
184	T	75	Confident	63.7	Low	80 Å²	80	90.1 Å²	90.1	49%	0.491	48%	0.483	S	S	.	.			trans	-74.7	144.6	-160.2	-48.2	0	0	0	0	111.1	Y216 E217	T184-Y216 WeakPolarHBondContact O-CB 3.15Å; T184-Y216 PolarHBondContact O-N 3.34Å; T184-E217 VanDerWaalsContact CB-OE1 3.22Å; T184-E217 WeakPolarHBondContact CB-OE1 3.3Å; T184-E217 PolarHBondContact N-OE1 3.38Å; T184-E217 PolarHBondContact N-OE2 3.45Å; T184-E217 VanDerWaalsContact N-OE2 3.11Å; T184-E217 PolarHBondContact OG1-OE1 3.35Å
185	E	78.8	Confident	65.9	Low	94 Å²	94	89 Å²	89	44%	0.439	47%	0.465	S	S	.	.			trans	-93	138.4	169.4	-67.5	172.3	177.5	0	0	108.8	C205 M208 F213	E185-C205 CarbonylContact C-O 3.49Å; E185-C205 WeakPolarHBondContact CA-O 3.48Å; E185-M208 HydrophobicContact CG-CB 4.31Å; E185-M208 WeakPolarHBondContact OE1-CB 3.34Å; E185-M208 PolarHBondContact OE1-N 3.11Å; E185-M208 VanDerWaalsContact OE1-N 3.12Å; E185-F213 HydrophobicContact CG-CE2 3.85Å; E185-F213 HydrophobicContact CG-CZ 3.94Å
186	D	79.5	Confident	67.9	Low	42 Å²	42	80 Å²	80	23%	0.225	43%	0.426	C	S	.	.			trans	-143.5	108.8	172	-170.2	-8.5	0	0	0	109.4	S188 V189 C205 Y216	D186-S188 VanDerWaalsContact C-N 3.28Å; D186-S188 VanDerWaalsContact CG-OG 3.22Å; D186-S188 VanDerWaalsContact OD1-CB 3.27Å; D186-S188 WeakPolarHBondContact OD1-CB 3.23Å; D186-S188 PolarHBondContact OD1-N 2.8Å; D186-S188 PolarHBondContact OD1-OG 3.49Å; D186-S188 PolarHBondContact OD2-OG 3.15Å; D186-V189 HydrophobicContact CB-CG2 4.36Å; D186-C205 PolarHBondContact N-O 2.77Å; D186-C205 CarbonylContact O-C 3.56Å; D186-C205 PolarHBondContact O-SG 3.1Å; D186-C205 VanDerWaalsContact O-SG 3.4Å; D186-Y216 HydrophobicContact CB-CD2 3.48Å; D186-Y216 VanDerWaalsContact CB-CD2 3.48Å; D186-Y216 HydrophobicContact CB-CE2 3.77Å; D186-Y216 HydrophobicContact CB-CG 4.28Å; D186-Y216 WeakPolarHBondContact OD2-CE2 2.88Å
187	A	78.7	Confident	69.6	Low	83 Å²	83	83.2 Å²	83.2	69%	0.686	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-10.9	178.7	0	0	0	0	0	113.2	V189 A206	A187-V189 VanDerWaalsContact C-N 3.28Å; A187-V189 PolarHBondContact O-N 3.46Å; A187-A206 HydrophobicContact CB-CB 4.4Å
188	S	78	Confident	70.6	Confident	96 Å²	96	81.2 Å²	81.2	67%	0.671	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.2	179.1	72.9	0	0	0	0	113.2	D186	D186-S188 VanDerWaalsContact C-N 3.28Å; D186-S188 VanDerWaalsContact CG-OG 3.22Å; D186-S188 VanDerWaalsContact OD1-CB 3.27Å; D186-S188 WeakPolarHBondContact OD1-CB 3.23Å; D186-S188 PolarHBondContact OD1-N 2.8Å; D186-S188 PolarHBondContact OD1-OG 3.49Å; D186-S188 PolarHBondContact OD2-OG 3.15Å
189	V	80.2	Confident	71.5	Confident	30 Å²	30	74.2 Å²	74.2	18%	0.182	41%	0.411	C	S	.	.	S	Bend	trans	-91.2	126.3	-177.6	-177	0	0	0	0	110.8	D186 A187 Y216 F219	D186-V189 HydrophobicContact CB-CG2 4.36Å; A187-V189 VanDerWaalsContact C-N 3.28Å; A187-V189 PolarHBondContact O-N 3.46Å; V189-Y216 HydrophobicContact CG2-CD2 4.3Å; V189-Y216 HydrophobicContact CG2-CE2 3.82Å; V189-F219 HydrophobicContact CG1-CD1 3.91Å; V189-F219 HydrophobicContact CG1-CE1 3.43Å; V189-F219 VanDerWaalsContact CG1-CE1 3.43Å; V189-F219 HydrophobicContact CG1-CZ 4.37Å
190	P	81.3	Confident	72.6	Confident	98 Å²	98	68.4 Å²	68.4	64%	0.636	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-67.7	152.1	178.9	27.6	-34.5	0	0	0	112.2
191	P	81.6	Confident	73.6	Confident	79 Å²	79	64.8 Å²	64.8	51%	0.513	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-57.8	143.4	174.6	-21.4	31.8	0	0	0	112.1	F203 H204	P191-F203 CarbonylContact C-O 3.6Å; P191-F203 WeakPolarHBondContact CA-O 3.32Å; P191-H204 HydrophobicContact CB-CB 4.28Å; P191-H204 HydrophobicContact CG-CB 4.45Å
192	S	81.8	Confident	75.1	Confident	19 Å²	19	67.2 Å²	67.2	13%	0.133	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-72.9	154.9	175.7	84.8	0	0	0	0	111.1	S194 F203	S192-S194 PolarHBondContact O-N 3.25Å; S192-S194 PolarHBondContact OG-N 2.67Å; S192-S194 PolarHBondContact OG-O 2.84Å; S192-S194 VanDerWaalsContact OG-O 3.11Å; S192-S194 PolarHBondContact OG-OG 3Å; S192-F203 PolarHBondContact N-O 2.85Å; S192-F203 WeakPolarHBondContact OG-CB 3.38Å
193	Q	79.5	Confident	76.4	Confident	188 Å²	188	61.5 Å²	61.5	88%	0.879	36%	0.362	S	S	*	.	S	Bend	trans	-68.9	-22.5	169.9	-67.6	-169.1	-2.8	0	0	113
194	S	79.4	Confident	77.3	Confident	17 Å²	17	61.4 Å²	61.4	12%	0.119	36%	0.355	C	S	.	.			trans	-73.9	150.3	179.4	65.4	0	0	0	0	112	S192 F203 L227	S192-S194 PolarHBondContact O-N 3.25Å; S192-S194 PolarHBondContact OG-N 2.67Å; S192-S194 PolarHBondContact OG-O 2.84Å; S192-S194 VanDerWaalsContact OG-O 3.11Å; S192-S194 PolarHBondContact OG-OG 3Å; S194-F203 WeakPolarHBondContact O-CD2 3.27Å; S194-F203 PolarHBondContact O-N 3.23Å; S194-F203 VanDerWaalsContact O-N 3.1Å; S194-F203 WeakPolarHBondContact OG-CD2 3.38Å; S194-L227 WeakPolarHBondContact OG-CB 3.46Å
195	R	80	Confident	77.8	Confident	104 Å²	104	57.6 Å²	57.6	39%	0.392	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-121.2	147	-174.6	-66.6	177.6	179.6	-172.1	-4.1	111.3	V154 Q197 G200 A201 Q202 F203	V154-R195 PolarHBondContact O-NH1 3.19Å; R195-Q197 PolarHBondContact O-N 2.81Å; R195-G200 WeakPolarHBondContact CD-O 3.45Å; R195-A201 CarbonylContact C-O 3.56Å; R195-A201 WeakPolarHBondContact CA-O 3.48Å; R195-Q202 HydrophobicContact CG-CG 4.16Å; R195-F203 WeakPolarHBondContact O-CE2 3.33Å
196	C	73.8	Confident	77.7	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.027	33%	0.325	C	S	.	.			trans	-64.4	127.2	175.6	177.7	0	0	0	0	111.2	G198 G200 A201 F203 C232	C196-G198 PolarHBondContact O-N 3.3Å; C196-G198 VanDerWaalsContact O-N 3.1Å; C196-G198 PolarHBondContact SG-N 3.1Å; C196-G200 WeakPolarHBondContact O-CA 2.92Å; C196-G200 PolarHBondContact O-N 3.18Å; C196-A201 PolarHBondContact N-O 3.36Å; C196-F203 VanDerWaalsContact CA-CZ 3.42Å; C196-F203 HydrophobicContact CB-CD1 4.44Å; C196-F203 HydrophobicContact CB-CE1 3.84Å; C196-F203 HydrophobicContact CB-CE2 4.45Å; C196-F203 HydrophobicContact CB-CZ 3.87Å; C196-C232 HydrophobicContact CB-CB 4.11Å; C196-C232 PolarHBondContact SG-N 2.92Å; C196-C232 VanDerWaalsContact SG-SG 3.64Å
197	Q	72.7	Confident	77.3	Confident	139 Å²	139	55.4 Å²	55.4	65%	0.65	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.5	176.9	-164.2	-176.9	27.7	0	0	113.5	R195 L231	R195-Q197 PolarHBondContact O-N 2.81Å; Q197-L231 HydrophobicContact CB-CD2 4.2Å
198	G	66.7	Low	76.9	Confident	39 Å²	39	54.3 Å²	54.3	40%	0.402	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-57.4	-179.6	0	0	0	0	0	114	C196 C235	C196-G198 PolarHBondContact O-N 3.3Å; C196-G198 VanDerWaalsContact O-N 3.1Å; C196-G198 PolarHBondContact SG-N 3.1Å; G198-C235 VanDerWaalsContact C-SG 3.57Å
199	C	63.5	Low	76.2	Confident	32 Å²	32	53.9 Å²	53.9	22%	0.216	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-7.3	-173.2	64.4	0	0	0	0	114.8	A201 C235	C199-A201 PolarHBondContact O-N 3.36Å; C199-C235 WeakPolarHBondContact CB-SG 3.41Å; C199-C235 PolarHBondContact N-SG 3.22Å
200	G	71.6	Confident	75.4	Confident	13 Å²	13	56.8 Å²	56.8	13%	0.134	32%	0.321	C	S	.	.			trans	77.3	-10.6	-178.3	0	0	0	0	0	115.6	R195 C196	R195-G200 WeakPolarHBondContact CD-O 3.45Å; C196-G200 WeakPolarHBondContact O-CA 2.92Å; C196-G200 PolarHBondContact O-N 3.18Å
201	A	72.6	Confident	74.8	Confident	15 Å²	15	54.7 Å²	54.7	12%	0.124	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-65	145.9	177.5	0	0	0	0	0	112.3	R195 C196 C199 P211	R195-A201 CarbonylContact C-O 3.56Å; R195-A201 WeakPolarHBondContact CA-O 3.48Å; C196-A201 PolarHBondContact N-O 3.36Å; C199-A201 PolarHBondContact O-N 3.36Å; A201-P211 HydrophobicContact CB-CB 3.99Å; A201-P211 HydrophobicContact CB-CG 4.49Å; A201-P211 VanDerWaalsContact CB-O 3.32Å; A201-P211 WeakPolarHBondContact CB-O 3.24Å
202	Q	81.8	Confident	74.4	Confident	97 Å²	97	50.9 Å²	50.9	45%	0.453	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-63.9	139.6	171.7	-76.1	174.2	-31.8	0	0	110.1	R195 G212	R195-Q202 HydrophobicContact CG-CG 4.16Å; Q202-G212 WeakPolarHBondContact O-CA 3.37Å
203	F	84.2	Confident	74.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-71.5	139.4	175.9	-63.9	-79	0	0	0	111.1	P191 S192 S194 R195 C196 G212 V214 F219 L227 T230 C232	P191-F203 CarbonylContact C-O 3.6Å; P191-F203 WeakPolarHBondContact CA-O 3.32Å; S192-F203 PolarHBondContact N-O 2.85Å; S192-F203 WeakPolarHBondContact OG-CB 3.38Å; S194-F203 WeakPolarHBondContact O-CD2 3.27Å; S194-F203 PolarHBondContact O-N 3.23Å; S194-F203 VanDerWaalsContact O-N 3.1Å; S194-F203 WeakPolarHBondContact OG-CD2 3.38Å; R195-F203 WeakPolarHBondContact O-CE2 3.33Å; C196-F203 VanDerWaalsContact CA-CZ 3.42Å; C196-F203 HydrophobicContact CB-CD1 4.44Å; C196-F203 HydrophobicContact CB-CE1 3.84Å; C196-F203 HydrophobicContact CB-CE2 4.45Å; C196-F203 HydrophobicContact CB-CZ 3.87Å; F203-G212 WeakPolarHBondContact CA-O 3.3Å; F203-G212 WeakPolarHBondContact CD1-O 3.42Å; F203-V214 HydrophobicContact CD1-CB 4.45Å; F203-V214 HydrophobicContact CD1-CG2 3.35Å; F203-V214 HydrophobicContact CE1-CG2 3.66Å; F203-V214 HydrophobicContact CG-CG2 4.37Å; F203-F219 HydrophobicContact CB-CD2 4.37Å; F203-F219 HydrophobicContact CB-CE2 3.97Å; F203-F219 WeakPolarHBondContact O-CE2 3.48Å; F203-L227 HydrophobicContact CB-CD2 3.39Å; F203-L227 HydrophobicContact CD1-CD2 4.14Å; F203-L227 HydrophobicContact CD2-CB 3.92Å; F203-L227 HydrophobicContact CD2-CD2 3.41Å; F203-L227 VanDerWaalsContact CD2-CD2 3.41Å; F203-L227 HydrophobicContact CD2-CG 4.2Å; F203-L227 HydrophobicContact CE2-CB 3.87Å; F203-L227 HydrophobicContact CE2-CD2 4.06Å; F203-L227 HydrophobicContact CE2-CG 4.42Å; F203-L227 WeakPolarHBondContact CE2-O 3.32Å; F203-L227 HydrophobicContact CG-CD2 3.42Å; F203-L227 VanDerWaalsContact CG-CD2 3.42Å; F203-L227 WeakPolarHBondContact CZ-O 3.48Å; F203-T230 WeakPolarHBondContact CZ-O 3.26Å; F203-T230 VanDerWaalsContact CZ-OG1 3.3Å; F203-T230 WeakPolarHBondContact CZ-OG1 3.3Å; F203-C232 HydrophobicContact CD1-CB 4.27Å; F203-C232 HydrophobicContact CE1-CB 4.08Å
204	H	82.9	Confident	74.6	Confident	20 Å²	20	41.3 Å²	41.3	9%	0.093	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-147.8	160.7	174.8	66	88.1	0	0	0	109.1	P191 A206 D207 P211 G212 F213 V214	P191-H204 HydrophobicContact CB-CB 4.28Å; P191-H204 HydrophobicContact CG-CB 4.45Å; H204-A206 PolarHBondContact ND1-N 2.66Å; H204-D207 PolarHBondContact CE1-O 2.94Å; H204-D207 VanDerWaalsContact CE1-O 3.22Å; H204-P211 PolarHBondContact NE2-O 3.02Å; H204-G212 PolarHBondContact N-O 3.13Å; H204-F213 PolarHBondContact NE2-N 3.04Å; H204-F213 CarbonylContact O-C 3.6Å; H204-F213 VanDerWaalsContact O-CA 3.26Å; H204-F213 WeakPolarHBondContact O-CA 3.13Å; H204-V214 PolarHBondContact O-N 3.11Å
205	C	84.8	Confident	74.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-115	12.9	171.8	56.3	0	0	0	0	112.8	E185 D186 V214 F219	E185-C205 CarbonylContact C-O 3.49Å; E185-C205 WeakPolarHBondContact CA-O 3.48Å; D186-C205 PolarHBondContact N-O 2.77Å; D186-C205 CarbonylContact O-C 3.56Å; D186-C205 PolarHBondContact O-SG 3.1Å; D186-C205 VanDerWaalsContact O-SG 3.4Å; C205-V214 WeakPolarHBondContact CA-O 3.36Å; C205-V214 WeakPolarHBondContact CB-O 3.4Å; C205-F219 HydrophobicContact CB-CB 4.05Å; C205-F219 HydrophobicContact CB-CD2 4.43Å; C205-F219 HydrophobicContact CB-CG 4.09Å
206	A	77.5	Confident	75.1	Confident	36 Å²	36	40 Å²	40	30%	0.298	23%	0.232	S	C	.	.	S	Bend	trans	-70.3	-45.3	-174.9	0	0	0	0	0	115	A187 H204	A187-A206 HydrophobicContact CB-CB 4.4Å; H204-A206 PolarHBondContact ND1-N 2.66Å
207	D	70.4	Confident	75.4	Confident	55 Å²	55	43.4 Å²	43.4	29%	0.294	25%	0.247	S	C	.	.			trans	-146.6	124.4	-173.6	178.6	-6.9	0	0	0	110.6	H204 S209 L210 F213	H204-D207 PolarHBondContact CE1-O 2.94Å; H204-D207 VanDerWaalsContact CE1-O 3.22Å; D207-S209 PolarHBondContact O-N 3.25Å; D207-S209 VanDerWaalsContact OD1-CB 3.22Å; D207-S209 WeakPolarHBondContact OD1-CB 3.37Å; D207-S209 PolarHBondContact OD1-N 3.39Å; D207-S209 PolarHBondContact OD1-OG 3.27Å; D207-S209 PolarHBondContact OD2-OG 3.28Å; D207-L210 HydrophobicContact CB-CB 4.49Å; D207-L210 HydrophobicContact CB-CD1 3.97Å; D207-L210 HydrophobicContact CB-CG 4.06Å; D207-L210 PolarHBondContact O-N 3.13Å; D207-F213 WeakPolarHBondContact O-CB 3.1Å; D207-F213 WeakPolarHBondContact O-CD2 3.37Å; D207-F213 WeakPolarHBondContact O-CG 3.38Å
208	M	71.8	Confident	75.6	Confident	59 Å²	59	40.6 Å²	40.6	29%	0.291	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.2	179.6	-177.5	171.8	59.6	0	0	114.9	E185 F213 R233	E185-M208 HydrophobicContact CG-CB 4.31Å; E185-M208 WeakPolarHBondContact OE1-CB 3.34Å; E185-M208 PolarHBondContact OE1-N 3.11Å; E185-M208 VanDerWaalsContact OE1-N 3.12Å; M208-F213 VanDerWaalsContact CA-CG 3.46Å; M208-F213 HydrophobicContact CB-CD1 4.08Å; M208-F213 HydrophobicContact CB-CD2 4.42Å; M208-F213 HydrophobicContact CB-CE1 3.88Å; M208-F213 HydrophobicContact CB-CE2 4.23Å; M208-F213 HydrophobicContact CB-CG 4.34Å; M208-F213 HydrophobicContact CB-CZ 3.95Å; M208-F213 HydrophobicContact CG-CD1 4.04Å; M208-F213 HydrophobicContact CG-CE1 3.86Å; M208-F213 HydrophobicContact CG-CZ 4.39Å; M208-R233 VanDerWaalsContact CG-CZ 3.47Å; M208-R233 PolarHBondContact SD-NH1 3.42Å; M208-R233 PolarHBondContact SD-NH2 3.09Å
209	S	61.3	Low	76.4	Confident	87 Å²	87	39.8 Å²	39.8	61%	0.608	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-25	-179.9	86.7	0	0	0	0	113.4	D207	D207-S209 PolarHBondContact O-N 3.25Å; D207-S209 VanDerWaalsContact OD1-CB 3.22Å; D207-S209 WeakPolarHBondContact OD1-CB 3.37Å; D207-S209 PolarHBondContact OD1-N 3.39Å; D207-S209 PolarHBondContact OD1-OG 3.27Å; D207-S209 PolarHBondContact OD2-OG 3.28Å
210	L	64.6	Low	77	Confident	91 Å²	91	42.8 Å²	42.8	48%	0.476	24%	0.235	S	C	.	.	S	Bend	trans	-85.2	147.6	-174.5	-65.9	177.7	0	0	0	112.7	D207 G212 F213	D207-L210 HydrophobicContact CB-CB 4.49Å; D207-L210 HydrophobicContact CB-CD1 3.97Å; D207-L210 HydrophobicContact CB-CG 4.06Å; D207-L210 PolarHBondContact O-N 3.13Å; L210-G212 PolarHBondContact O-N 3.45Å; L210-F213 PolarHBondContact O-N 3.28Å
211	P	68.1	Low	76.8	Confident	54 Å²	54	48.7 Å²	48.7	35%	0.351	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	132.9	176.7	29.1	-33.6	0	0	0	110.6	A201 H204	A201-P211 HydrophobicContact CB-CB 3.99Å; A201-P211 HydrophobicContact CB-CG 4.49Å; A201-P211 VanDerWaalsContact CB-O 3.32Å; A201-P211 WeakPolarHBondContact CB-O 3.24Å; H204-P211 PolarHBondContact NE2-O 3.02Å
212	G	73.4	Confident	76.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.6	-12	-174.3	0	0	0	0	0	113	Q202 F203 H204 L210 V214	Q202-G212 WeakPolarHBondContact O-CA 3.37Å; F203-G212 WeakPolarHBondContact CA-O 3.3Å; F203-G212 WeakPolarHBondContact CD1-O 3.42Å; H204-G212 PolarHBondContact N-O 3.13Å; L210-G212 PolarHBondContact O-N 3.45Å; G212-V214 PolarHBondContact O-N 3.17Å
213	F	81.2	Confident	75.2	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.009	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-55.8	130.1	179.7	-176.9	-102.5	0	0	0	113.3	E185 H204 D207 M208 L210 P215 C232 R233	E185-F213 HydrophobicContact CG-CE2 3.85Å; E185-F213 HydrophobicContact CG-CZ 3.94Å; H204-F213 PolarHBondContact NE2-N 3.04Å; H204-F213 CarbonylContact O-C 3.6Å; H204-F213 VanDerWaalsContact O-CA 3.26Å; H204-F213 WeakPolarHBondContact O-CA 3.13Å; D207-F213 WeakPolarHBondContact O-CB 3.1Å; D207-F213 WeakPolarHBondContact O-CD2 3.37Å; D207-F213 WeakPolarHBondContact O-CG 3.38Å; M208-F213 VanDerWaalsContact CA-CG 3.46Å; M208-F213 HydrophobicContact CB-CD1 4.08Å; M208-F213 HydrophobicContact CB-CD2 4.42Å; M208-F213 HydrophobicContact CB-CE1 3.88Å; M208-F213 HydrophobicContact CB-CE2 4.23Å; M208-F213 HydrophobicContact CB-CG 4.34Å; M208-F213 HydrophobicContact CB-CZ 3.95Å; M208-F213 HydrophobicContact CG-CD1 4.04Å; M208-F213 HydrophobicContact CG-CE1 3.86Å; M208-F213 HydrophobicContact CG-CZ 4.39Å; L210-F213 PolarHBondContact O-N 3.28Å; F213-P215 HydrophobicContact CE1-CG 4.24Å; F213-C232 CarbonylContact O-C 3.53Å; F213-C232 WeakPolarHBondContact O-CA 3.27Å; F213-C232 WeakPolarHBondContact O-CB 3.3Å; F213-R233 HydrophobicContact CD1-CB 3.99Å; F213-R233 WeakPolarHBondContact O-CB 3.32Å; F213-R233 PolarHBondContact O-N 3.16Å
214	V	84.6	Confident	74	Confident	4 Å²	4	57 Å²	57	2%	0.024	31%	0.31	C	S	.	.			trans	-131.7	134.5	167.8	169.6	0	0	0	0	106.5	F203 H204 C205 G212 Y216 I218 F219	F203-V214 HydrophobicContact CD1-CB 4.45Å; F203-V214 HydrophobicContact CD1-CG2 3.35Å; F203-V214 HydrophobicContact CE1-CG2 3.66Å; F203-V214 HydrophobicContact CG-CG2 4.37Å; H204-V214 PolarHBondContact O-N 3.11Å; C205-V214 WeakPolarHBondContact CA-O 3.36Å; C205-V214 WeakPolarHBondContact CB-O 3.4Å; G212-V214 PolarHBondContact O-N 3.17Å; V214-Y216 PolarHBondContact O-N 2.8Å; V214-I218 HydrophobicContact CG1-CB 3.49Å; V214-I218 VanDerWaalsContact CG1-CB 3.49Å; V214-I218 HydrophobicContact CG1-CG2 3.37Å; V214-F219 HydrophobicContact CG1-CB 4.41Å
215	P	84.8	Confident	72.9	Confident	19 Å²	19	63.1 Å²	63.1	12%	0.123	34%	0.343	C	S	.	.			trans	-47.3	139.9	174.7	-31.1	36.5	0	0	0	112.8	F213 E217 I218 F219	F213-P215 HydrophobicContact CE1-CG 4.24Å; P215-E217 VanDerWaalsContact CB-OE2 3.3Å; P215-E217 WeakPolarHBondContact CB-OE2 3.4Å; P215-E217 PolarHBondContact O-N 2.98Å; P215-E217 VanDerWaalsContact O-N 3.13Å; P215-I218 HydrophobicContact CB-CB 4.48Å; P215-I218 HydrophobicContact CB-CD1 4.22Å; P215-I218 HydrophobicContact CB-CG1 4.25Å; P215-I218 HydrophobicContact CG-CD1 3.99Å; P215-I218 CarbonylContact O-C 3.59Å; P215-I218 WeakPolarHBondContact O-CA 3.28Å; P215-I218 PolarHBondContact O-N 2.96Å; P215-F219 PolarHBondContact O-N 3.35Å
216	Y	84	Confident	71.8	Confident	74 Å²	74	70.2 Å²	70.2	29%	0.29	37%	0.374	S	S	.	.	H	α-helix	trans	-48.9	-41.2	-178.9	175.1	-100.3	0	0	0	113.2	T184 D186 V189 V214 I218 F219 L220	T184-Y216 WeakPolarHBondContact O-CB 3.15Å; T184-Y216 PolarHBondContact O-N 3.34Å; D186-Y216 HydrophobicContact CB-CD2 3.48Å; D186-Y216 VanDerWaalsContact CB-CD2 3.48Å; D186-Y216 HydrophobicContact CB-CE2 3.77Å; D186-Y216 HydrophobicContact CB-CG 4.28Å; D186-Y216 WeakPolarHBondContact OD2-CE2 2.88Å; V189-Y216 HydrophobicContact CG2-CD2 4.3Å; V189-Y216 HydrophobicContact CG2-CE2 3.82Å; V214-Y216 PolarHBondContact O-N 2.8Å; Y216-I218 VanDerWaalsContact C-N 3.3Å; Y216-I218 PolarHBondContact O-N 2.9Å; Y216-F219 PolarHBondContact O-N 2.81Å; Y216-L220 HydrophobicContact CD1-CD1 4.15Å; Y216-L220 HydrophobicContact CD2-CD1 4.48Å; Y216-L220 HydrophobicContact CE1-CD1 3.43Å; Y216-L220 VanDerWaalsContact CE1-CD1 3.43Å; Y216-L220 HydrophobicContact CE1-CG 4.4Å; Y216-L220 HydrophobicContact CE2-CD1 3.86Å; Y216-L220 HydrophobicContact CE2-CG 4.23Å; Y216-L220 PolarHBondContact O-N 3.25Å; Y216-L220 WeakPolarHBondContact OH-CD1 3.34Å
217	E	80.4	Confident	71.2	Confident	76 Å²	76	68.6 Å²	68.6	36%	0.355	36%	0.361	S	S	.	.	H	α-helix	trans	-61	-42.1	179.4	-53.7	80.2	-175.4	0	0	111.2	G183 T184 P215 D221	G183-E217 WeakPolarHBondContact CA-OE2 3.27Å; T184-E217 VanDerWaalsContact CB-OE1 3.22Å; T184-E217 WeakPolarHBondContact CB-OE1 3.3Å; T184-E217 PolarHBondContact N-OE1 3.38Å; T184-E217 PolarHBondContact N-OE2 3.45Å; T184-E217 VanDerWaalsContact N-OE2 3.11Å; T184-E217 PolarHBondContact OG1-OE1 3.35Å; P215-E217 VanDerWaalsContact CB-OE2 3.3Å; P215-E217 WeakPolarHBondContact CB-OE2 3.4Å; P215-E217 PolarHBondContact O-N 2.98Å; P215-E217 VanDerWaalsContact O-N 3.13Å; E217-D221 VanDerWaalsContact O-CB 3.3Å; E217-D221 WeakPolarHBondContact O-CB 2.91Å; E217-D221 VanDerWaalsContact O-CG 3.25Å; E217-D221 PolarHBondContact O-N 2.82Å; E217-D221 VanDerWaalsContact O-N 3.13Å
218	I	78.5	Confident	70.8	Confident	79 Å²	79	69 Å²	69	41%	0.405	37%	0.371	S	S	.	.	H	α-helix	trans	-76.7	-32.9	179	-58.7	178.2	0	0	0	110.7	V214 P215 Y216 L222	V214-I218 HydrophobicContact CG1-CB 3.49Å; V214-I218 VanDerWaalsContact CG1-CB 3.49Å; V214-I218 HydrophobicContact CG1-CG2 3.37Å; P215-I218 HydrophobicContact CB-CB 4.48Å; P215-I218 HydrophobicContact CB-CD1 4.22Å; P215-I218 HydrophobicContact CB-CG1 4.25Å; P215-I218 HydrophobicContact CG-CD1 3.99Å; P215-I218 CarbonylContact O-C 3.59Å; P215-I218 WeakPolarHBondContact O-CA 3.28Å; P215-I218 PolarHBondContact O-N 2.96Å; Y216-I218 VanDerWaalsContact C-N 3.3Å; Y216-I218 PolarHBondContact O-N 2.9Å; I218-L222 HydrophobicContact CG2-CD1 3.51Å; I218-L222 HydrophobicContact CG2-CG 4.27Å; I218-L222 WeakPolarHBondContact O-CB 3.46Å; I218-L222 WeakPolarHBondContact O-CG 3.3Å; I218-L222 PolarHBondContact O-N 3.42Å
219	F	82.1	Confident	70.7	Confident	23 Å²	23	68.8 Å²	68.8	10%	0.101	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-37	179.4	-168.1	-90.2	0	0	0	111.9	V189 F203 C205 V214 P215 Y216 L227	V189-F219 HydrophobicContact CG1-CD1 3.91Å; V189-F219 HydrophobicContact CG1-CE1 3.43Å; V189-F219 VanDerWaalsContact CG1-CE1 3.43Å; V189-F219 HydrophobicContact CG1-CZ 4.37Å; F203-F219 HydrophobicContact CB-CD2 4.37Å; F203-F219 HydrophobicContact CB-CE2 3.97Å; F203-F219 WeakPolarHBondContact O-CE2 3.48Å; C205-F219 HydrophobicContact CB-CB 4.05Å; C205-F219 HydrophobicContact CB-CD2 4.43Å; C205-F219 HydrophobicContact CB-CG 4.09Å; V214-F219 HydrophobicContact CG1-CB 4.41Å; P215-F219 PolarHBondContact O-N 3.35Å; Y216-F219 PolarHBondContact O-N 2.81Å; F219-L227 HydrophobicContact CD2-CD2 4.29Å; F219-L227 HydrophobicContact CE2-CD2 4.37Å
220	L	76.5	Confident	71.4	Confident	95 Å²	95	66.5 Å²	66.5	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-80.7	-42.9	175.5	-73.6	-179.3	0	0	0	113.8	Y216 L222	Y216-L220 HydrophobicContact CD1-CD1 4.15Å; Y216-L220 HydrophobicContact CD2-CD1 4.48Å; Y216-L220 HydrophobicContact CE1-CD1 3.43Å; Y216-L220 VanDerWaalsContact CE1-CD1 3.43Å; Y216-L220 HydrophobicContact CE1-CG 4.4Å; Y216-L220 HydrophobicContact CE2-CD1 3.86Å; Y216-L220 HydrophobicContact CE2-CG 4.23Å; Y216-L220 PolarHBondContact O-N 3.25Å; Y216-L220 WeakPolarHBondContact OH-CD1 3.34Å; L220-L222 PolarHBondContact O-N 3.26Å
221	D	67.2	Low	72.2	Confident	137 Å²	137	63.9 Å²	63.9	73%	0.733	35%	0.353	S	S	*	.	H	α-helix	trans	-66	-26.6	-176.2	-81.1	-11.9	0	0	0	112.7	E217	E217-D221 VanDerWaalsContact O-CB 3.3Å; E217-D221 WeakPolarHBondContact O-CB 2.91Å; E217-D221 VanDerWaalsContact O-CG 3.25Å; E217-D221 PolarHBondContact O-N 2.82Å; E217-D221 VanDerWaalsContact O-N 3.13Å
222	L	62.4	Low	72.7	Confident	39 Å²	39	61.3 Å²	61.3	20%	0.204	34%	0.336	C	S	.	.	S	Bend	trans	-94.9	99.3	175.5	-60.7	173	0	0	0	108.6	I218 L220 K226 L227 T230	I218-L222 HydrophobicContact CG2-CD1 3.51Å; I218-L222 HydrophobicContact CG2-CG 4.27Å; I218-L222 WeakPolarHBondContact O-CB 3.46Å; I218-L222 WeakPolarHBondContact O-CG 3.3Å; I218-L222 PolarHBondContact O-N 3.42Å; L220-L222 PolarHBondContact O-N 3.26Å; L222-K226 HydrophobicContact CB-CB 4.31Å; L222-K226 HydrophobicContact CD2-CB 3.79Å; L222-K226 HydrophobicContact CD2-CD 4.2Å; L222-L227 HydrophobicContact CB-CD1 3.4Å; L222-L227 HydrophobicContact CB-CG 4.11Å; L222-L227 HydrophobicContact CD1-CG 4.44Å; L222-L227 WeakPolarHBondContact O-CD1 3.29Å; L222-T230 HydrophobicContact CD1-CG2 3.82Å
223	Q	59.1	Low	72.7	Confident	161 Å²	161	63.4 Å²	63.4	75%	0.752	34%	0.344	S	S	*	.			trans	-52.7	147.9	161.7	-69.3	-177.4	-11.6	0	0	109.7	D225 K226	Q223-D225 PolarHBondContact O-N 3.43Å; Q223-K226 PolarHBondContact O-N 3.05Å
224	S	57.7	Low	72.1	Confident	86 Å²	86	65.8 Å²	65.8	60%	0.601	35%	0.353	S	S	*	.	H	α-helix	trans	-38	-39.3	-169.7	-29.8	0	0	0	0	115.3	K226 L227	S224-K226 PolarHBondContact O-N 3.43Å; S224-L227 PolarHBondContact O-N 3.49Å
225	D	59.7	Low	71.4	Confident	148 Å²	148	66.1 Å²	66.1	79%	0.791	36%	0.355	S	S	*	.	H	α-helix	trans	-69.8	-29.8	-176.2	-66.7	-20	0	0	0	113.6	Q223	Q223-D225 PolarHBondContact O-N 3.43Å
226	K	62.3	Low	70.9	Confident	149 Å²	149	67.8 Å²	67.8	65%	0.648	36%	0.361	S	S	*	.	H	α-helix	trans	-83.6	-20.7	177.8	-69.3	-174.5	-179.7	173.9	0	113.1	L222 Q223 S224 A228	L222-K226 HydrophobicContact CB-CB 4.31Å; L222-K226 HydrophobicContact CD2-CB 3.79Å; L222-K226 HydrophobicContact CD2-CD 4.2Å; Q223-K226 PolarHBondContact O-N 3.05Å; S224-K226 PolarHBondContact O-N 3.43Å; K226-A228 VanDerWaalsContact C-N 3.28Å; K226-A228 PolarHBondContact O-N 3.33Å
227	L	66.1	Low	70.2	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-67.8	-28	174.2	-89.5	96.6	0	0	0	112.6	S194 F203 F219 L222 S224 G229 T230	S194-L227 WeakPolarHBondContact OG-CB 3.46Å; F203-L227 HydrophobicContact CB-CD2 3.39Å; F203-L227 HydrophobicContact CD1-CD2 4.14Å; F203-L227 HydrophobicContact CD2-CB 3.92Å; F203-L227 HydrophobicContact CD2-CD2 3.41Å; F203-L227 VanDerWaalsContact CD2-CD2 3.41Å; F203-L227 HydrophobicContact CD2-CG 4.2Å; F203-L227 HydrophobicContact CE2-CB 3.87Å; F203-L227 HydrophobicContact CE2-CD2 4.06Å; F203-L227 HydrophobicContact CE2-CG 4.42Å; F203-L227 WeakPolarHBondContact CE2-O 3.32Å; F203-L227 HydrophobicContact CG-CD2 3.42Å; F203-L227 VanDerWaalsContact CG-CD2 3.42Å; F203-L227 WeakPolarHBondContact CZ-O 3.48Å; F219-L227 HydrophobicContact CD2-CD2 4.29Å; F219-L227 HydrophobicContact CE2-CD2 4.37Å; L222-L227 HydrophobicContact CB-CD1 3.4Å; L222-L227 HydrophobicContact CB-CG 4.11Å; L222-L227 HydrophobicContact CD1-CG 4.44Å; L222-L227 WeakPolarHBondContact O-CD1 3.29Å; S224-L227 PolarHBondContact O-N 3.49Å; L227-G229 PolarHBondContact O-N 2.91Å; L227-T230 PolarHBondContact O-N 3.38Å; L227-T230 PolarHBondContact O-OG1 3.06Å
228	A	61.9	Low	69.5	Low	62 Å²	62	63.7 Å²	63.7	51%	0.512	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.5	-178.1	0	0	0	0	0	113.9	K226	K226-A228 VanDerWaalsContact C-N 3.28Å; K226-A228 PolarHBondContact O-N 3.33Å
229	G	69.4	Low	68.8	Low	55 Å²	55	67.1 Å²	67.1	57%	0.567	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-1.3	176.9	0	0	0	0	0	115.5	L227	L227-G229 PolarHBondContact O-N 2.91Å
230	T	76.3	Confident	68	Low	39 Å²	39	72.5 Å²	72.5	24%	0.239	38%	0.381	C	S	.	.			trans	-95.8	168	-175.3	61	0	0	0	0	112.7	F203 L222 L227	F203-T230 WeakPolarHBondContact CZ-O 3.26Å; F203-T230 VanDerWaalsContact CZ-OG1 3.3Å; F203-T230 WeakPolarHBondContact CZ-OG1 3.3Å; L222-T230 HydrophobicContact CD1-CG2 3.82Å; L227-T230 PolarHBondContact O-N 3.38Å; L227-T230 PolarHBondContact O-OG1 3.06Å
231	L	79.9	Confident	67	Low	36 Å²	36	71.2 Å²	71.2	19%	0.188	37%	0.372	C	S	.	.			trans	-110.6	137.7	174.9	-61.5	175.1	0	0	0	108.1	Q197 C235 F236 K239	Q197-L231 HydrophobicContact CB-CD2 4.2Å; L231-C235 HydrophobicContact CB-CB 3.92Å; L231-C235 HydrophobicContact CD2-CB 4.08Å; L231-C235 HydrophobicContact CG-CB 4.45Å; L231-F236 HydrophobicContact CB-CB 4.11Å; L231-K239 HydrophobicContact CD1-CB 4.01Å; L231-K239 HydrophobicContact CD1-CD 3.35Å; L231-K239 HydrophobicContact CD1-CG 4.32Å
232	C	79.5	Confident	66.1	Low	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.356	C	S	.	.			trans	-62.4	160.9	168.7	69.2	0	0	0	0	109.1	C196 F203 F213 R234 C235 F236	C196-C232 HydrophobicContact CB-CB 4.11Å; C196-C232 PolarHBondContact SG-N 2.92Å; C196-C232 VanDerWaalsContact SG-SG 3.64Å; F203-C232 HydrophobicContact CD1-CB 4.27Å; F203-C232 HydrophobicContact CE1-CB 4.08Å; F213-C232 CarbonylContact O-C 3.53Å; F213-C232 WeakPolarHBondContact O-CA 3.27Å; F213-C232 WeakPolarHBondContact O-CB 3.3Å; C232-R234 PolarHBondContact O-N 2.88Å; C232-R234 VanDerWaalsContact O-N 3.13Å; C232-C235 CarbonylContact O-C 3.52Å; C232-C235 PolarHBondContact O-N 3.49Å; C232-C235 PolarHBondContact SG-N 2.97Å; C232-C235 VanDerWaalsContact SG-N 3.37Å; C232-C235 VanDerWaalsContact SG-SG 3.61Å; C232-F236 WeakPolarHBondContact O-CB 3.48Å; C232-F236 PolarHBondContact O-N 3.43Å
233	R	73.8	Confident	65.3	Low	45 Å²	45	68.1 Å²	68.1	17%	0.17	35%	0.354	C	S	.	.	H	α-helix	trans	-48.2	-46.1	179.6	-176.4	175.8	-177	-116.2	11.8	111.5	F181 M208 F213 C235 F236 L237	F181-R233 VanDerWaalsContact O-CZ 3.26Å; F181-R233 PolarHBondContact O-NE 3.37Å; F181-R233 PolarHBondContact O-NH2 3.27Å; M208-R233 VanDerWaalsContact CG-CZ 3.47Å; M208-R233 PolarHBondContact SD-NH1 3.42Å; M208-R233 PolarHBondContact SD-NH2 3.09Å; F213-R233 HydrophobicContact CD1-CB 3.99Å; F213-R233 WeakPolarHBondContact O-CB 3.32Å; F213-R233 PolarHBondContact O-N 3.16Å; R233-C235 PolarHBondContact O-N 3.27Å; R233-F236 PolarHBondContact O-N 2.83Å; R233-L237 HydrophobicContact CG-CD1 3.93Å; R233-L237 HydrophobicContact CG-CG 4.36Å; R233-L237 VanDerWaalsContact O-CB 3.25Å; R233-L237 WeakPolarHBondContact O-CB 3.46Å; R233-L237 WeakPolarHBondContact O-CG 2.85Å; R233-L237 PolarHBondContact O-N 3.02Å
234	R	68.7	Low	64.8	Low	52 Å²	52	63.4 Å²	63.4	20%	0.196	33%	0.334	C	S	.	.	H	α-helix	trans	-55.9	-52.1	175	173.1	171.3	-173	-169.6	5.9	112.5	C232 L237 L238 V245	C232-R234 PolarHBondContact O-N 2.88Å; C232-R234 VanDerWaalsContact O-N 3.13Å; R234-L237 PolarHBondContact O-N 2.99Å; R234-L238 HydrophobicContact CG-CD1 3.99Å; R234-L238 WeakPolarHBondContact O-CB 3.01Å; R234-L238 WeakPolarHBondContact O-CD1 3.4Å; R234-L238 WeakPolarHBondContact O-CG 3.27Å; R234-L238 PolarHBondContact O-N 3.27Å; R234-V245 HydrophobicContact CB-CG2 4.07Å; R234-V245 HydrophobicContact CG-CB 3.9Å; R234-V245 HydrophobicContact CG-CG2 3.64Å; R234-V245 PolarHBondContact NH2-O 2.88Å
235	C	69	Low	64.1	Low	10 Å²	10	61.4 Å²	61.4	7%	0.068	32%	0.318	C	S	.	.	H	α-helix	trans	-71.1	-31.8	-178.9	-72.4	0	0	0	0	113.5	G198 C199 L231 C232 R233 L238 K239	G198-C235 VanDerWaalsContact C-SG 3.57Å; C199-C235 WeakPolarHBondContact CB-SG 3.41Å; C199-C235 PolarHBondContact N-SG 3.22Å; L231-C235 HydrophobicContact CB-CB 3.92Å; L231-C235 HydrophobicContact CD2-CB 4.08Å; L231-C235 HydrophobicContact CG-CB 4.45Å; C232-C235 CarbonylContact O-C 3.52Å; C232-C235 PolarHBondContact O-N 3.49Å; C232-C235 PolarHBondContact SG-N 2.97Å; C232-C235 VanDerWaalsContact SG-N 3.37Å; C232-C235 VanDerWaalsContact SG-SG 3.61Å; R233-C235 PolarHBondContact O-N 3.27Å; C235-L238 WeakPolarHBondContact O-CB 3.34Å; C235-L238 PolarHBondContact O-N 2.97Å; C235-K239 VanDerWaalsContact O-CB 3.27Å; C235-K239 WeakPolarHBondContact O-CB 3.43Å; C235-K239 PolarHBondContact O-N 2.77Å
236	F	75.4	Confident	63.3	Low	55 Å²	55	57.5 Å²	57.5	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-47.1	173.4	179.1	-93.1	0	0	0	111	L231 C232 R233 L238 K239 K240	L231-F236 HydrophobicContact CB-CB 4.11Å; C232-F236 WeakPolarHBondContact O-CB 3.48Å; C232-F236 PolarHBondContact O-N 3.43Å; R233-F236 PolarHBondContact O-N 2.83Å; F236-L238 VanDerWaalsContact C-N 3.32Å; F236-L238 PolarHBondContact O-N 3.2Å; F236-K239 PolarHBondContact O-N 2.78Å; F236-K240 HydrophobicContact CD2-CD 4.3Å; F236-K240 HydrophobicContact CD2-CG 4.42Å; F236-K240 HydrophobicContact CE1-CD 4.06Å; F236-K240 HydrophobicContact CE2-CD 3.56Å; F236-K240 HydrophobicContact CE2-CG 4.15Å; F236-K240 HydrophobicContact CZ-CD 3.44Å; F236-K240 VanDerWaalsContact CZ-CD 3.44Å; F236-K240 HydrophobicContact CZ-CG 4.28Å; F236-K240 WeakPolarHBondContact O-CB 3.32Å; F236-K240 PolarHBondContact O-N 3.37Å
237	L	67.8	Low	62.4	Low	11 Å²	11	53.4 Å²	53.4	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-42.4	174	-74.5	175.3	0	0	0	111.5	F181 R233 R234 H241 N242 F243	F181-L237 HydrophobicContact CD1-CD2 3.92Å; F181-L237 HydrophobicContact CE1-CD2 3.86Å; R233-L237 HydrophobicContact CG-CD1 3.93Å; R233-L237 HydrophobicContact CG-CG 4.36Å; R233-L237 VanDerWaalsContact O-CB 3.25Å; R233-L237 WeakPolarHBondContact O-CB 3.46Å; R233-L237 WeakPolarHBondContact O-CG 2.85Å; R233-L237 PolarHBondContact O-N 3.02Å; R234-L237 PolarHBondContact O-N 2.99Å; L237-H241 CarbonylContact O-C 3.53Å; L237-H241 WeakPolarHBondContact O-CA 3.36Å; L237-H241 WeakPolarHBondContact O-CB 3.46Å; L237-H241 PolarHBondContact O-N 2.88Å; L237-N242 PolarHBondContact O-N 3.31Å; L237-F243 HydrophobicContact CB-CB 4.13Å; L237-F243 HydrophobicContact CB-CD1 4.32Å; L237-F243 HydrophobicContact CD1-CD1 4.36Å; L237-F243 WeakPolarHBondContact O-CB 3.49Å; L237-F243 PolarHBondContact O-N 3.27Å
238	L	65.6	Low	61.2	Low	52 Å²	52	57.3 Å²	57.3	27%	0.272	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-48.2	172.5	-77.4	166.2	0	0	0	112.1	R234 C235 F236 N242 F243 L244	R234-L238 HydrophobicContact CG-CD1 3.99Å; R234-L238 WeakPolarHBondContact O-CB 3.01Å; R234-L238 WeakPolarHBondContact O-CD1 3.4Å; R234-L238 WeakPolarHBondContact O-CG 3.27Å; R234-L238 PolarHBondContact O-N 3.27Å; C235-L238 WeakPolarHBondContact O-CB 3.34Å; C235-L238 PolarHBondContact O-N 2.97Å; F236-L238 VanDerWaalsContact C-N 3.32Å; F236-L238 PolarHBondContact O-N 3.2Å; L238-N242 VanDerWaalsContact O-CA 3.32Å; L238-N242 WeakPolarHBondContact O-CA 3.19Å; L238-N242 PolarHBondContact O-N 3.28Å; L238-F243 WeakPolarHBondContact CD2-O 3.13Å; L238-F243 WeakPolarHBondContact CG-O 3.22Å; L238-F243 PolarHBondContact N-O 2.98Å; L238-L244 HydrophobicContact CD2-CB 4.12Å; L238-L244 HydrophobicContact CD2-CD2 3.32Å; L238-L244 HydrophobicContact CD2-CG 3.57Å
239	K	64.8	Low	60.7	Low	152 Å²	152	55.3 Å²	55.3	66%	0.661	29%	0.29	S	S	*	.	H	α-helix	trans	-76.2	-44.7	-173.2	-172.7	178.5	-178.4	179.4	0	113.4	L231 C235 F236	L231-K239 HydrophobicContact CD1-CB 4.01Å; L231-K239 HydrophobicContact CD1-CD 3.35Å; L231-K239 HydrophobicContact CD1-CG 4.32Å; C235-K239 VanDerWaalsContact O-CB 3.27Å; C235-K239 WeakPolarHBondContact O-CB 3.43Å; C235-K239 PolarHBondContact O-N 2.77Å; F236-K239 PolarHBondContact O-N 2.78Å
240	K	64.6	Low	60	Low	136 Å²	136	54.8 Å²	54.8	59%	0.591	28%	0.28	S	S	*	.	H	α-helix	trans	-88.3	-38.6	-176.1	-75.6	-155.6	-176.3	175.3	0	113	F236	F236-K240 HydrophobicContact CD2-CD 4.3Å; F236-K240 HydrophobicContact CD2-CG 4.42Å; F236-K240 HydrophobicContact CE1-CD 4.06Å; F236-K240 HydrophobicContact CE2-CD 3.56Å; F236-K240 HydrophobicContact CE2-CG 4.15Å; F236-K240 HydrophobicContact CZ-CD 3.44Å; F236-K240 VanDerWaalsContact CZ-CD 3.44Å; F236-K240 HydrophobicContact CZ-CG 4.28Å; F236-K240 WeakPolarHBondContact O-CB 3.32Å; F236-K240 PolarHBondContact O-N 3.37Å
241	H	55.2	Low	59.4	Low	67 Å²	67	56.8 Å²	56.8	31%	0.31	29%	0.294	S	S	.	.	H	α-helix	trans	-107.6	2.2	-171.8	-60.8	-69.8	0	0	0	113.7	F181 L237 F243	F181-H241 AromaticContact CZ-CE1 3.97Å; F181-H241 AromaticContact CZ-NE2 4Å; L237-H241 CarbonylContact O-C 3.53Å; L237-H241 WeakPolarHBondContact O-CA 3.36Å; L237-H241 WeakPolarHBondContact O-CB 3.46Å; L237-H241 PolarHBondContact O-N 2.88Å; H241-F243 HydrophobicContact CB-CB 3.89Å; H241-F243 PolarHBondContact O-N 3.18Å
242	N	49.8	Very low	58.8	Low	72 Å²	72	60.6 Å²	60.6	39%	0.385	31%	0.313	S	S	.	.			trans	48.2	37.4	-169.4	-71	-40.9	0	0	0	111.6	L237 L238 F653	L237-N242 PolarHBondContact O-N 3.31Å; L238-N242 VanDerWaalsContact O-CA 3.32Å; L238-N242 WeakPolarHBondContact O-CA 3.19Å; L238-N242 PolarHBondContact O-N 3.28Å; N242-F653 WeakPolarHBondContact ND2-CD1 3.07Å
243	F	45.7	Very low	58.2	Low	39 Å²	39	63.5 Å²	63.5	17%	0.171	33%	0.329	C	S	.	.			trans	-102.5	101.4	-169.5	-167.6	-89.6	0	0	0	109.2	L237 L238 H241 V245 L485 I489	L237-F243 HydrophobicContact CB-CB 4.13Å; L237-F243 HydrophobicContact CB-CD1 4.32Å; L237-F243 HydrophobicContact CD1-CD1 4.36Å; L237-F243 WeakPolarHBondContact O-CB 3.49Å; L237-F243 PolarHBondContact O-N 3.27Å; L238-F243 WeakPolarHBondContact CD2-O 3.13Å; L238-F243 WeakPolarHBondContact CG-O 3.22Å; L238-F243 PolarHBondContact N-O 2.98Å; H241-F243 HydrophobicContact CB-CB 3.89Å; H241-F243 PolarHBondContact O-N 3.18Å; F243-V245 PolarHBondContact O-N 3.18Å; F243-L485 HydrophobicContact CD1-CD2 4.49Å; F243-L485 HydrophobicContact CE1-CD1 3.46Å; F243-L485 VanDerWaalsContact CE1-CD1 3.46Å; F243-L485 HydrophobicContact CE1-CD2 3.36Å; F243-L485 HydrophobicContact CE1-CG 3.56Å; F243-L485 HydrophobicContact CZ-CD1 3.25Å; F243-L485 HydrophobicContact CZ-CD2 3.74Å; F243-L485 HydrophobicContact CZ-CG 3.37Å; F243-I489 HydrophobicContact CD2-CD1 4.42Å; F243-I489 HydrophobicContact CE2-CD1 3.54Å; F243-I489 HydrophobicContact CE2-CG1 3.52Å; F243-I489 HydrophobicContact CZ-CD1 3.83Å; F243-I489 HydrophobicContact CZ-CG1 4.02Å
244	L	47.8	Very low	57.8	Low	63 Å²	63	62 Å²	62	33%	0.33	32%	0.323	S	S	.	.			trans	-79.6	114.6	-179.4	-79.9	150.8	0	0	0	110.9	L238 N246 R373	L238-L244 HydrophobicContact CD2-CB 4.12Å; L238-L244 HydrophobicContact CD2-CD2 3.32Å; L238-L244 HydrophobicContact CD2-CG 3.57Å; L244-N246 PolarHBondContact O-N 3.5Å; L244-R373 HydrophobicContact CD1-CG 3.58Å
245	V	42.4	Very low	57.9	Low	43 Å²	43	61.9 Å²	61.9	26%	0.261	33%	0.329	S	S	.	.			trans	-68	112.4	162.5	177.4	0	0	0	0	107.7	R234 F243 V247	R234-V245 HydrophobicContact CB-CG2 4.07Å; R234-V245 HydrophobicContact CG-CB 3.9Å; R234-V245 HydrophobicContact CG-CG2 3.64Å; R234-V245 PolarHBondContact NH2-O 2.88Å; F243-V245 PolarHBondContact O-N 3.18Å; V245-V247 PolarHBondContact O-N 3.46Å
246	N	42.4	Very low	58.1	Low	67 Å²	67	67.1 Å²	67.1	36%	0.358	35%	0.35	S	S	.	.			trans	-61.7	121.9	178.3	-75.5	-25.5	0	0	0	109.9	L244 T248	L244-N246 PolarHBondContact O-N 3.5Å; N246-T248 PolarHBondContact O-N 2.93Å
247	V	43.7	Very low	57.8	Low	63 Å²	63	66 Å²	66	38%	0.382	35%	0.346	S	S	.	.			trans	-81.5	104.6	164.6	-177.2	0	0	0	0	106.4	V245	V245-V247 PolarHBondContact O-N 3.46Å
248	T	42	Very low	58.1	Low	85 Å²	85	65.5 Å²	65.5	52%	0.521	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-86.4	120.3	169.5	46.4	0	0	0	0	108.3	N246	N246-T248 PolarHBondContact O-N 2.93Å
249	V	50.4	Low	58.7	Low	19 Å²	19	65.1 Å²	65.1	12%	0.115	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-87.9	136.1	169.8	-179.1	0	0	0	0	107.4	D253 L387 P471 I474	V249-D253 HydrophobicContact CG1-CB 3.57Å; V249-L387 HydrophobicContact CG1-CD2 3.93Å; V249-L387 HydrophobicContact CG2-CD2 3.97Å; V249-P471 HydrophobicContact CG2-CB 4.21Å; V249-P471 HydrophobicContact CG2-CG 4.47Å; V249-I474 WeakPolarHBondContact O-CD1 3.39Å
250	A	55.4	Low	59.3	Low	44 Å²	44	63.4 Å²	63.4	36%	0.364	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-57.4	143.9	176	0	0	0	0	0	110.4	I252 D253 Y254	A250-I252 PolarHBondContact O-N 2.85Å; A250-I252 VanDerWaalsContact O-N 3.1Å; A250-D253 PolarHBondContact O-N 3.38Å; A250-Y254 PolarHBondContact O-N 3.23Å
251	P	62.6	Low	59.9	Low	81 Å²	81	57.5 Å²	57.5	53%	0.526	31%	0.314	S	S	.	.	H	α-helix	trans	-53.3	-35.9	-177.5	-28.1	34.7	0	0	0	113.8	D253 Y254 T255	P251-D253 PolarHBondContact O-N 2.78Å; P251-Y254 WeakPolarHBondContact O-CB 3.38Å; P251-Y254 PolarHBondContact O-N 2.91Å; P251-T255 WeakPolarHBondContact O-CG2 3.46Å; P251-T255 PolarHBondContact O-N 2.8Å
252	I	68	Low	61.1	Low	117 Å²	117	59 Å²	59	60%	0.6	32%	0.32	S	S	*	.	H	α-helix	trans	-60.7	-44.2	179.5	-63	161.9	0	0	0	110.9	A250 T255 K256	A250-I252 PolarHBondContact O-N 2.85Å; A250-I252 VanDerWaalsContact O-N 3.1Å; I252-T255 PolarHBondContact O-N 3.13Å; I252-T255 PolarHBondContact O-OG1 3Å; I252-K256 PolarHBondContact O-N 3.47Å
253	D	67	Low	62.6	Low	60 Å²	60	62.2 Å²	62.2	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-73.6	-32	-178.3	-63.2	-35.8	0	0	0	111.8	V249 A250 P251 T255 K256 I257	V249-D253 HydrophobicContact CG1-CB 3.57Å; A250-D253 PolarHBondContact O-N 3.38Å; P251-D253 PolarHBondContact O-N 2.78Å; D253-T255 PolarHBondContact O-N 3.49Å; D253-K256 PolarHBondContact O-N 2.92Å; D253-K256 IonicContact OD1-NZ 3.58Å; D253-I257 VanDerWaalsContact O-CG1 3.27Å; D253-I257 WeakPolarHBondContact O-CG1 3.47Å; D253-I257 PolarHBondContact O-N 3.37Å
254	Y	66	Low	64	Low	13 Å²	13	62.5 Å²	62.5	5%	0.051	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-45.8	173.4	-178.4	-97.8	0	0	0	112	A250 P251 K256 I257 I258 P471 V473	A250-Y254 PolarHBondContact O-N 3.23Å; P251-Y254 WeakPolarHBondContact O-CB 3.38Å; P251-Y254 PolarHBondContact O-N 2.91Å; Y254-K256 VanDerWaalsContact C-N 3.33Å; Y254-K256 PolarHBondContact O-N 3.19Å; Y254-I257 PolarHBondContact O-N 3.42Å; Y254-I258 HydrophobicContact CD1-CD1 4.09Å; Y254-I258 HydrophobicContact CD2-CD1 3.99Å; Y254-I258 HydrophobicContact CE1-CD1 3.39Å; Y254-I258 HydrophobicContact CE2-CD1 3.26Å; Y254-I258 HydrophobicContact CE2-CG1 4.34Å; Y254-I258 HydrophobicContact CG-CD1 4.34Å; Y254-I258 PolarHBondContact O-N 3.06Å; Y254-I258 WeakPolarHBondContact OH-CD1 3.36Å; Y254-P471 HydrophobicContact CD2-CB 4.36Å; Y254-P471 WeakPolarHBondContact CE2-O 3.49Å; Y254-V473 HydrophobicContact CD1-CG1 4.43Å; Y254-V473 HydrophobicContact CE1-CB 4.25Å; Y254-V473 HydrophobicContact CE1-CG1 3.67Å; Y254-V473 HydrophobicContact CE1-CG2 4.21Å; Y254-V473 HydrophobicContact CE2-CB 4.33Å; Y254-V473 HydrophobicContact CE2-CG2 4.22Å; Y254-V473 VanDerWaalsContact CZ-CG2 3.49Å; Y254-V473 WeakPolarHBondContact OH-CG2 3.17Å
255	T	70.2	Confident	65	Low	51 Å²	51	68.2 Å²	68.2	31%	0.313	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-41.2	178.3	66.9	0	0	0	0	112	P251 I252 D253 S259 F289	P251-T255 WeakPolarHBondContact O-CG2 3.46Å; P251-T255 PolarHBondContact O-N 2.8Å; I252-T255 PolarHBondContact O-N 3.13Å; I252-T255 PolarHBondContact O-OG1 3Å; D253-T255 PolarHBondContact O-N 3.49Å; T255-S259 WeakPolarHBondContact O-CB 3.43Å; T255-S259 PolarHBondContact O-N 3.3Å; T255-S259 PolarHBondContact O-OG 2.85Å; T255-F289 HydrophobicContact CG2-CD1 4.05Å; T255-F289 HydrophobicContact CG2-CE1 3.38Å; T255-F289 HydrophobicContact CG2-CZ 4.03Å
256	K	73	Confident	66.5	Low	119 Å²	119	70.6 Å²	70.6	52%	0.517	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-49.5	175.1	-68	175.9	-174.6	167.4	0	110.5	I252 D253 Y254 I258 S259 H260	I252-K256 PolarHBondContact O-N 3.47Å; D253-K256 PolarHBondContact O-N 2.92Å; D253-K256 IonicContact OD1-NZ 3.58Å; Y254-K256 VanDerWaalsContact C-N 3.33Å; Y254-K256 PolarHBondContact O-N 3.19Å; K256-I258 VanDerWaalsContact C-N 3.34Å; K256-I258 PolarHBondContact O-N 3.35Å; K256-S259 PolarHBondContact O-N 2.81Å; K256-S259 PolarHBondContact O-OG 3.19Å; K256-H260 PolarHBondContact O-CE1 3.02Å; K256-H260 VanDerWaalsContact O-CE1 3.26Å; K256-H260 PolarHBondContact O-ND1 3.38Å
257	I	70	Confident	68.2	Low	31 Å²	31	67.6 Å²	67.6	16%	0.159	36%	0.357	C	S	.	.	H	α-helix	trans	-59.9	-44.4	-178.1	-67.5	165	0	0	0	111.2	D253 Y254 H260 L389 P471	D253-I257 VanDerWaalsContact O-CG1 3.27Å; D253-I257 WeakPolarHBondContact O-CG1 3.47Å; D253-I257 PolarHBondContact O-N 3.37Å; Y254-I257 PolarHBondContact O-N 3.42Å; I257-H260 WeakPolarHBondContact O-CB 3.45Å; I257-H260 PolarHBondContact O-ND1 3.13Å; I257-L389 HydrophobicContact CG2-CD1 4.07Å; I257-L389 HydrophobicContact CG2-CD2 3.95Å; I257-L389 HydrophobicContact CG2-CG 4.07Å; I257-P471 HydrophobicContact CD1-CG 4.23Å
258	I	74.4	Confident	70.1	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-83.4	-28	-173.9	-72	178.2	0	0	0	113.6	Y254 K256 H260 L261 F289 I290 L365	Y254-I258 HydrophobicContact CD1-CD1 4.09Å; Y254-I258 HydrophobicContact CD2-CD1 3.99Å; Y254-I258 HydrophobicContact CE1-CD1 3.39Å; Y254-I258 HydrophobicContact CE2-CD1 3.26Å; Y254-I258 HydrophobicContact CE2-CG1 4.34Å; Y254-I258 HydrophobicContact CG-CD1 4.34Å; Y254-I258 PolarHBondContact O-N 3.06Å; Y254-I258 WeakPolarHBondContact OH-CD1 3.36Å; K256-I258 VanDerWaalsContact C-N 3.34Å; K256-I258 PolarHBondContact O-N 3.35Å; I258-H260 PolarHBondContact O-N 3.29Å; I258-L261 HydrophobicContact CG2-CD1 4.22Å; I258-L261 WeakPolarHBondContact O-CA 3.37Å; I258-L261 VanDerWaalsContact O-CB 3.24Å; I258-L261 WeakPolarHBondContact O-CB 3.32Å; I258-L261 PolarHBondContact O-N 3.02Å; I258-F289 HydrophobicContact CB-CB 4.45Å; I258-F289 HydrophobicContact CG2-CB 3.59Å; I258-I290 HydrophobicContact CG2-CG2 3.89Å; I258-L365 HydrophobicContact CD1-CD2 3.58Å; I258-L365 HydrophobicContact CG1-CD2 4.39Å
259	S	77.5	Confident	72.1	Confident	45 Å²	45	60.6 Å²	60.6	32%	0.315	31%	0.314	S	S	.	.	H	α-helix	trans	-56.9	-24.2	174.1	65.6	0	0	0	0	112.4	T255 K256 L261 K262	T255-S259 WeakPolarHBondContact O-CB 3.43Å; T255-S259 PolarHBondContact O-N 3.3Å; T255-S259 PolarHBondContact O-OG 2.85Å; K256-S259 PolarHBondContact O-N 2.81Å; K256-S259 PolarHBondContact O-OG 3.19Å; S259-L261 PolarHBondContact O-N 3.35Å; S259-K262 VanDerWaalsContact O-CB 3.23Å; S259-K262 WeakPolarHBondContact O-CB 3.4Å; S259-K262 WeakPolarHBondContact O-CG 3.47Å; S259-K262 PolarHBondContact O-N 3.34Å
260	H	76.9	Confident	73.7	Confident	115 Å²	115	59.7 Å²	59.7	53%	0.532	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-28.6	170.5	-66.8	84.3	0	0	0	113.3	K256 I257 I258 K262 L263	K256-H260 PolarHBondContact O-CE1 3.02Å; K256-H260 VanDerWaalsContact O-CE1 3.26Å; K256-H260 PolarHBondContact O-ND1 3.38Å; I257-H260 WeakPolarHBondContact O-CB 3.45Å; I257-H260 PolarHBondContact O-ND1 3.13Å; I258-H260 PolarHBondContact O-N 3.29Å; H260-K262 VanDerWaalsContact C-N 3.25Å; H260-K262 PolarHBondContact O-N 2.97Å; H260-L263 PolarHBondContact O-N 2.92Å
261	L	77.4	Confident	75.1	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-26	175.6	-60.2	-177.2	0	0	0	112.4	I258 S259 L263 L264 I290 K294 L365	I258-L261 HydrophobicContact CG2-CD1 4.22Å; I258-L261 WeakPolarHBondContact O-CA 3.37Å; I258-L261 VanDerWaalsContact O-CB 3.24Å; I258-L261 WeakPolarHBondContact O-CB 3.32Å; I258-L261 PolarHBondContact O-N 3.02Å; S259-L261 PolarHBondContact O-N 3.35Å; L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 PolarHBondContact O-N 2.9Å; L261-L264 HydrophobicContact CD2-CD1 4.13Å; L261-L264 PolarHBondContact O-N 2.97Å; L261-I290 HydrophobicContact CD1-CG2 4.34Å; L261-K294 WeakPolarHBondContact O-CE 3.3Å; L261-K294 PolarHBondContact O-NZ 2.72Å; L261-L365 HydrophobicContact CD1-CD1 4.05Å
262	K	80.9	Confident	76.1	Confident	98 Å²	98	54.7 Å²	54.7	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-44.6	175	-61	-175.9	176.8	-175.1	0	111.1	S259 H260 L264 D288 F289 I290 K294	S259-K262 VanDerWaalsContact O-CB 3.23Å; S259-K262 WeakPolarHBondContact O-CB 3.4Å; S259-K262 WeakPolarHBondContact O-CG 3.47Å; S259-K262 PolarHBondContact O-N 3.34Å; H260-K262 VanDerWaalsContact C-N 3.25Å; H260-K262 PolarHBondContact O-N 2.97Å; K262-L264 PolarHBondContact O-N 3.38Å; K262-D288 WeakPolarHBondContact CE-O 3.15Å; K262-D288 PolarHBondContact NZ-O 3.01Å; K262-F289 WeakPolarHBondContact CE-O 3.36Å; K262-F289 WeakPolarHBondContact CG-O 3.45Å; K262-I290 WeakPolarHBondContact CA-O 3.5Å; K262-K294 PolarHBondContact O-NZ 3.38Å
263	L	80.3	Confident	76.8	Confident	141 Å²	141	49.1 Å²	49.1	74%	0.738	24%	0.243	S	C	*	.	H	α-helix	trans	-65.8	-24.4	-175.9	-57.5	175.5	0	0	0	112.8	H260 L261 Q265	H260-L263 PolarHBondContact O-N 2.92Å; L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 PolarHBondContact O-N 2.9Å; L263-Q265 PolarHBondContact O-N 3.1Å
264	L	75.8	Confident	77.4	Confident	45 Å²	45	46.7 Å²	46.7	24%	0.236	23%	0.23	C	C	.	.			trans	-88.8	108.9	-173.5	-58.9	175.1	0	0	0	111.5	L261 K262 V267 K294	L261-L264 HydrophobicContact CD2-CD1 4.13Å; L261-L264 PolarHBondContact O-N 2.97Å; K262-L264 PolarHBondContact O-N 3.38Å; L264-V267 HydrophobicContact CB-CG2 3.24Å; L264-V267 HydrophobicContact CD1-CG2 3.8Å; L264-V267 HydrophobicContact CG-CG2 4.17Å; L264-K294 PolarHBondContact O-NZ 3.11Å
265	Q	69.6	Low	78.1	Confident	182 Å²	182	46.6 Å²	46.6	85%	0.85	23%	0.23	S	C	*	.	S	Bend	trans	-68.8	-38.1	-177.5	-67.8	-178.9	-17.7	0	0	113.5	L263	L263-Q265 PolarHBondContact O-N 3.1Å
266	E	73.3	Confident	78.6	Confident	94 Å²	94	45.1 Å²	45.1	44%	0.439	22%	0.22	S	C	.	.	S	Bend	trans	-104.7	70.6	-176.4	-62.1	-166.4	151.2	0	0	112.9	R361	E266-R361 PolarHBondContact O-N 3.08Å
267	V	78.3	Confident	78.9	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.3	177	-175.8	0	0	0	0	111.3	L264 I269 R361	L264-V267 HydrophobicContact CB-CG2 3.24Å; L264-V267 HydrophobicContact CD1-CG2 3.8Å; L264-V267 HydrophobicContact CG-CG2 4.17Å; V267-I269 HydrophobicContact CG1-CG1 4.15Å; V267-R361 WeakPolarHBondContact CA-O 2.82Å; V267-R361 HydrophobicContact CG2-CB 4.27Å
268	L	83	Confident	79.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.9	163.2	178.1	59.8	0	0	0	109	I270 I297 I329 I349 W353 R361 I362 S363	L268-I270 HydrophobicContact CG-CG1 4.45Å; L268-I297 HydrophobicContact CD1-CD1 3.87Å; L268-I297 HydrophobicContact CD1-CG1 3.9Å; L268-I297 HydrophobicContact CD2-CD1 3.94Å; L268-I297 HydrophobicContact CG-CD1 4.37Å; L268-I329 HydrophobicContact CD1-CD1 4.18Å; L268-I349 HydrophobicContact CD2-CG1 4.32Å; L268-I349 HydrophobicContact CD2-CG2 4.26Å; L268-W353 HydrophobicContact CB-CD2 3.86Å; L268-W353 HydrophobicContact CB-CE3 4.02Å; L268-W353 HydrophobicContact CB-CH2 3.85Å; L268-W353 HydrophobicContact CB-CZ2 3.72Å; L268-W353 HydrophobicContact CB-CZ3 4Å; L268-W353 HydrophobicContact CD1-CD2 4.49Å; L268-W353 HydrophobicContact CD1-CZ2 3.71Å; L268-W353 HydrophobicContact CD2-CD2 4.05Å; L268-W353 HydrophobicContact CD2-CG 3.88Å; L268-W353 HydrophobicContact CG-CD2 4.35Å; L268-W353 HydrophobicContact CG-CZ2 4.21Å; L268-R361 PolarHBondContact N-O 3.44Å; L268-I362 HydrophobicContact CB-CG1 4.25Å; L268-I362 HydrophobicContact CD2-CD1 4.17Å; L268-I362 HydrophobicContact CD2-CG1 4.3Å; L268-I362 HydrophobicContact CD2-CG2 4.31Å; L268-I362 HydrophobicContact CG-CG2 4.48Å; L268-I362 CarbonylContact O-C 3.56Å; L268-I362 WeakPolarHBondContact O-CA 3.43Å; L268-S363 PolarHBondContact O-N 3.21Å
269	I	84.3	Confident	80.1	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.4	174.4	-66.8	170	0	0	0	108.6	V267 I290 K294 S295 V296 I297 L365	V267-I269 HydrophobicContact CG1-CG1 4.15Å; I269-I290 HydrophobicContact CD1-CB 3.73Å; I269-I290 HydrophobicContact CD1-CD1 3.61Å; I269-I290 HydrophobicContact CD1-CG1 4.06Å; I269-I290 HydrophobicContact CD1-CG2 4.08Å; I269-K294 HydrophobicContact CD1-CB 3.78Å; I269-K294 HydrophobicContact CD1-CG 4.14Å; I269-S295 PolarHBondContact N-O 2.87Å; I269-V296 HydrophobicContact CB-CG2 4.13Å; I269-V296 HydrophobicContact CG2-CG1 4.26Å; I269-V296 HydrophobicContact CG2-CG2 4.3Å; I269-V296 CarbonylContact O-C 3.03Å; I269-V296 VanDerWaalsContact O-CA 3.31Å; I269-V296 WeakPolarHBondContact O-CA 3.12Å; I269-I297 PolarHBondContact O-N 2.79Å; I269-L365 HydrophobicContact CD1-CD1 4.46Å; I269-L365 HydrophobicContact CG1-CD1 4.38Å; I269-L365 HydrophobicContact CG2-CD1 3.51Å
270	I	84.1	Confident	80.1	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	106.5	171.2	-61.1	-179.7	0	0	0	107.2	L268 I297 L299 I349 I362 S363 L364 L365 F467	L268-I270 HydrophobicContact CG-CG1 4.45Å; I270-I297 CarbonylContact C-O 3.46Å; I270-I297 WeakPolarHBondContact CA-O 3.43Å; I270-L299 HydrophobicContact CG2-CD1 3.2Å; I270-L299 HydrophobicContact CG2-CG 3.73Å; I270-I349 HydrophobicContact CD1-CD1 3.72Å; I270-I362 HydrophobicContact CD1-CG2 3.45Å; I270-I362 VanDerWaalsContact CD1-CG2 3.45Å; I270-I362 HydrophobicContact CG1-CG2 3.89Å; I270-S363 PolarHBondContact N-O 3.32Å; I270-L364 HydrophobicContact CB-CD1 4.17Å; I270-L364 HydrophobicContact CB-CG 4.38Å; I270-L364 HydrophobicContact CG2-CD1 3.74Å; I270-L364 HydrophobicContact CG2-CG 4.26Å; I270-L364 WeakPolarHBondContact O-CA 3.41Å; I270-L365 PolarHBondContact O-N 3.25Å; I270-F467 HydrophobicContact CD1-CE2 3.72Å; I270-F467 HydrophobicContact CD1-CZ 4.24Å
271	L	85.5	Confident	79.8	Confident	6 Å²	6	30.8 Å²	30.8	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109.2	177.4	179.1	61.8	0	0	0	109.3	V273 F282 L286 V296 I297 V298 L299 L365	L271-V273 HydrophobicContact CD2-CG2 4.31Å; L271-V273 HydrophobicContact CG-CG2 4.06Å; L271-F282 HydrophobicContact CD2-CE2 4.45Å; L271-L286 HydrophobicContact CD1-CD2 3.8Å; L271-L286 HydrophobicContact CD2-CD2 4.17Å; L271-V296 HydrophobicContact CB-CG1 4.04Å; L271-I297 PolarHBondContact N-O 2.86Å; L271-V298 HydrophobicContact CD2-CG2 4.46Å; L271-V298 WeakPolarHBondContact O-CA 3.16Å; L271-L299 PolarHBondContact O-N 2.89Å; L271-L365 WeakPolarHBondContact CA-O 3.32Å; L271-L365 HydrophobicContact CD1-CB 4.44Å
272	L	82.5	Confident	79.8	Confident	13 Å²	13	30.6 Å²	30.6	7%	0.068	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.5	175.6	-169.7	69.2	0	0	0	110	L299 N301 I334 L365 S367	L272-L299 WeakPolarHBondContact CA-O 3.36Å; L272-L299 HydrophobicContact CD1-CB 3.73Å; L272-L299 HydrophobicContact CD1-CD1 4.47Å; L272-N301 HydrophobicContact CD1-CB 3.9Å; L272-N301 HydrophobicContact CG-CB 4.38Å; L272-I334 HydrophobicContact CD1-CD1 3.89Å; L272-L365 PolarHBondContact N-O 3.45Å; L272-S367 PolarHBondContact O-N 3.31Å; L272-S367 VanDerWaalsContact O-N 3.08Å; L272-S367 PolarHBondContact O-OG 2.9Å
273	V	82.7	Confident	79.6	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.8	179.6	179	0	0	0	0	109.3	L271 F278 V298 L299 N301	L271-V273 HydrophobicContact CD2-CG2 4.31Å; L271-V273 HydrophobicContact CG-CG2 4.06Å; V273-F278 HydrophobicContact CG1-CB 4.01Å; V273-F278 HydrophobicContact CG1-CD2 3.21Å; V273-F278 HydrophobicContact CG1-CE2 3.87Å; V273-F278 HydrophobicContact CG1-CG 3.83Å; V273-V298 HydrophobicContact CG2-CG1 3.99Å; V273-L299 PolarHBondContact N-O 2.76Å; V273-N301 PolarHBondContact O-N 2.65Å
274	D	79	Confident	79.5	Confident	10 Å²	10	24.9 Å²	24.9	5%	0.053	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.5	172.5	-178.8	5.2	0	0	0	110.7	L276 D277 F278 K302 T368	D274-L276 PolarHBondContact O-N 3.38Å; D274-L276 PolarHBondContact OD1-N 3.27Å; D274-L276 VanDerWaalsContact OD1-N 3.14Å; D274-D277 PolarHBondContact O-N 3.11Å; D274-F278 WeakPolarHBondContact O-CB 3.44Å; D274-F278 PolarHBondContact O-N 2.98Å; D274-K302 VanDerWaalsContact CG-CE 3.47Å; D274-K302 WeakPolarHBondContact OD1-CD 3.48Å; D274-K302 WeakPolarHBondContact OD1-CE 3.42Å; D274-K302 IonicContact OD1-NZ 3.16Å; D274-K302 PolarHBondContact OD1-NZ 3.38Å; D274-K302 WeakPolarHBondContact OD2-CE 3.17Å; D274-K302 IonicContact OD2-NZ 3.49Å; D274-K302 PolarHBondContact OD2-NZ 3.47Å; D274-T368 HydrophobicContact CB-CG2 3.39Å
275	L	81.9	Confident	79.6	Confident	11 Å²	11	24.5 Å²	24.5	6%	0.058	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-58.6	-34.4	-178.3	-176.1	60.8	0	0	0	113	D277 F278 V300 N301 V303 V309 R634 F637	L275-D277 VanDerWaalsContact C-N 3.34Å; L275-D277 PolarHBondContact O-N 3.34Å; L275-F278 PolarHBondContact O-N 2.72Å; L275-V300 HydrophobicContact CB-CG1 3.87Å; L275-V300 HydrophobicContact CD1-CG1 3.96Å; L275-V300 HydrophobicContact CG-CG1 4.39Å; L275-N301 VanDerWaalsContact CB-O 3.29Å; L275-N301 WeakPolarHBondContact CB-O 3.39Å; L275-N301 PolarHBondContact N-O 3.06Å; L275-V303 HydrophobicContact CB-CG2 4.01Å; L275-V303 HydrophobicContact CD2-CB 4.15Å; L275-V303 HydrophobicContact CD2-CG1 4.05Å; L275-V303 HydrophobicContact CD2-CG2 3.41Å; L275-V303 VanDerWaalsContact CD2-CG2 3.41Å; L275-V303 HydrophobicContact CG-CG2 4.24Å; L275-V309 HydrophobicContact CD1-CB 4.47Å; L275-V309 HydrophobicContact CD1-CG1 3.36Å; L275-V309 HydrophobicContact CD1-CG2 4.26Å; L275-V309 HydrophobicContact CD2-CG1 4.14Å; L275-V309 HydrophobicContact CD2-CG2 4.1Å; L275-V309 HydrophobicContact CG-CG1 4.37Å; L275-R634 PolarHBondContact O-NH1 2.99Å; L275-F637 HydrophobicContact CD1-CD2 3.93Å; L275-F637 HydrophobicContact CD1-CE2 3.31Å; L275-F637 HydrophobicContact CD1-CZ 3.81Å; L275-F637 HydrophobicContact CD2-CD2 4.29Å; L275-F637 HydrophobicContact CD2-CE2 4.49Å; L275-F637 HydrophobicContact CG-CD2 4.18Å; L275-F637 HydrophobicContact CG-CE2 3.96Å
276	L	80.4	Confident	80.2	Confident	20 Å²	20	16.1 Å²	16.1	11%	0.105	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-71	-34.9	-171.7	-53.8	-177.8	0	0	0	112.1	D274 K302 W607 I648	D274-L276 PolarHBondContact O-N 3.38Å; D274-L276 PolarHBondContact OD1-N 3.27Å; D274-L276 VanDerWaalsContact OD1-N 3.14Å; L276-K302 HydrophobicContact CD1-CD 3.66Å; L276-K302 HydrophobicContact CG-CB 4.44Å; L276-K302 HydrophobicContact CG-CD 3.97Å; L276-W607 HydrophobicContact CB-CZ3 4.3Å; L276-W607 HydrophobicContact CD2-CH2 4Å; L276-W607 HydrophobicContact CD2-CZ3 4Å; L276-I648 HydrophobicContact CD1-CD1 4.09Å; L276-I648 HydrophobicContact CD1-CG2 3.51Å; L276-I648 HydrophobicContact CD2-CD1 3.26Å; L276-I648 HydrophobicContact CD2-CG1 4.04Å; L276-I648 HydrophobicContact CD2-CG2 4.09Å; L276-I648 HydrophobicContact CG-CD1 4.3Å; L276-I648 HydrophobicContact CG-CG2 4.32Å
277	D	79.9	Confident	80.7	Confident	4 Å²	4	11.8 Å²	11.8	2%	0.021	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-104.8	10.6	-179.1	-168.3	44.9	0	0	0	112.2	D274 L275 P279 C280 S281 Q478 S603 S604	D274-D277 PolarHBondContact O-N 3.11Å; L275-D277 VanDerWaalsContact C-N 3.34Å; L275-D277 PolarHBondContact O-N 3.34Å; D277-P279 CarbonylContact O-C 3.59Å; D277-C280 CarbonylContact O-C 3.56Å; D277-C280 WeakPolarHBondContact O-CA 3.42Å; D277-C280 VanDerWaalsContact O-CB 3.28Å; D277-C280 WeakPolarHBondContact O-CB 3.47Å; D277-C280 PolarHBondContact O-N 3.06Å; D277-S281 PolarHBondContact O-N 3.39Å; D277-Q478 PolarHBondContact OD2-NE2 3.34Å; D277-S603 WeakPolarHBondContact OD1-CA 3.45Å; D277-S603 WeakPolarHBondContact OD1-CB 3.41Å; D277-S603 PolarHBondContact OD1-OG 3.11Å; D277-S604 PolarHBondContact OD1-N 2.65Å; D277-S604 PolarHBondContact OD1-OG 3.42Å; D277-S604 PolarHBondContact OD2-OG 3.23Å
278	F	84.2	Confident	81	Confident	1 Å²	1	15.1 Å²	15.1	0%	0.004	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	132.1	175.9	-173.3	-99.1	0	0	0	110.6	V273 D274 L275 F282 Y312 V313 F316 R634	V273-F278 HydrophobicContact CG1-CB 4.01Å; V273-F278 HydrophobicContact CG1-CD2 3.21Å; V273-F278 HydrophobicContact CG1-CE2 3.87Å; V273-F278 HydrophobicContact CG1-CG 3.83Å; D274-F278 WeakPolarHBondContact O-CB 3.44Å; D274-F278 PolarHBondContact O-N 2.98Å; L275-F278 PolarHBondContact O-N 2.72Å; F278-F282 HydrophobicContact CD2-CB 4.38Å; F278-F282 HydrophobicContact CE2-CB 4.07Å; F278-F282 HydrophobicContact CE2-CD2 4.35Å; F278-F282 HydrophobicContact CE2-CG 4.36Å; F278-Y312 HydrophobicContact CD1-CD1 4.29Å; F278-Y312 AromaticContact CD1-CE1 3.75Å; F278-Y312 HydrophobicContact CD1-CE1 3.75Å; F278-Y312 HydrophobicContact CE1-CD1 4.04Å; F278-Y312 AromaticContact CE1-CE1 3.57Å; F278-Y312 HydrophobicContact CE1-CE1 3.57Å; F278-V313 HydrophobicContact CD1-CG2 4.05Å; F278-V313 HydrophobicContact CE1-CB 4.36Å; F278-V313 HydrophobicContact CE1-CG2 3.8Å; F278-V313 HydrophobicContact CZ-CB 4.38Å; F278-V313 HydrophobicContact CZ-CG1 4.12Å; F278-V313 HydrophobicContact CZ-CG2 4.17Å; F278-F316 HydrophobicContact CE1-CB 4.04Å; F278-F316 HydrophobicContact CE1-CD1 4.18Å; F278-F316 HydrophobicContact CE1-CD2 4.48Å; F278-F316 AromaticContact CE1-CG 3.97Å; F278-F316 HydrophobicContact CE1-CG 3.97Å; F278-F316 HydrophobicContact CE2-CD1 4.14Å; F278-F316 HydrophobicContact CE2-CE1 4.49Å; F278-F316 HydrophobicContact CZ-CB 3.87Å; F278-F316 AromaticContact CZ-CD1 3.44Å; F278-F316 HydrophobicContact CZ-CD1 3.44Å; F278-F316 VanDerWaalsContact CZ-CD1 3.44Å; F278-F316 HydrophobicContact CZ-CE1 4.12Å; F278-F316 AromaticContact CZ-CG 3.67Å; F278-F316 HydrophobicContact CZ-CG 3.67Å; F278-R634 PolarHBondContact O-NH1 2.78Å
279	P	84.7	Confident	80.8	Confident	3 Å²	3	17.1 Å²	17.1	2%	0.019	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92	-0.2	12.1	35.6	-36.8	0	0	0	116.1	D277 S281 F282 F316 Y632	D277-P279 CarbonylContact O-C 3.59Å; P279-S281 PolarHBondContact O-N 3.34Å; P279-S281 VanDerWaalsContact O-N 3.15Å; P279-F282 WeakPolarHBondContact O-CB 3.37Å; P279-F282 PolarHBondContact O-N 2.86Å; P279-F316 HydrophobicContact CB-CD1 4.4Å; P279-F316 HydrophobicContact CB-CD2 4.15Å; P279-F316 HydrophobicContact CB-CE1 3.74Å; P279-F316 HydrophobicContact CB-CE2 3.45Å; P279-F316 VanDerWaalsContact CB-CE2 3.45Å; P279-F316 HydrophobicContact CB-CZ 3.21Å; P279-F316 HydrophobicContact CG-CE2 3.81Å; P279-F316 HydrophobicContact CG-CZ 3.97Å; P279-Y632 HydrophobicContact CG-CD1 3.61Å; P279-Y632 HydrophobicContact CG-CD2 4.3Å; P279-Y632 HydrophobicContact CG-CE1 4.34Å; P279-Y632 HydrophobicContact CG-CG 3.58Å
280	C	77.7	Confident	80.7	Confident	1 Å²	1	17.1 Å²	17.1	1%	0.007	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.3	-174.9	-47.4	0	0	0	0	114.5	D277 F282 N475 S603 G630 Y632	D277-C280 CarbonylContact O-C 3.56Å; D277-C280 WeakPolarHBondContact O-CA 3.42Å; D277-C280 VanDerWaalsContact O-CB 3.28Å; D277-C280 WeakPolarHBondContact O-CB 3.47Å; D277-C280 PolarHBondContact O-N 3.06Å; C280-F282 PolarHBondContact O-N 3.22Å; C280-N475 PolarHBondContact O-ND2 2.69Å; C280-S603 VanDerWaalsContact CB-CB 3.41Å; C280-S603 WeakPolarHBondContact CB-OG 3.4Å; C280-G630 PolarHBondContact SG-O 2.91Å; C280-G630 VanDerWaalsContact SG-O 3.36Å; C280-Y632 HydrophobicContact CB-CD2 4.35Å; C280-Y632 HydrophobicContact CB-CE2 4.37Å; C280-Y632 WeakPolarHBondContact SG-CD2 3.34Å
281	S	70.6	Confident	80.6	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.7	174.9	61.1	0	0	0	0	114.5	D277 P279 S367	D277-S281 PolarHBondContact O-N 3.39Å; P279-S281 PolarHBondContact O-N 3.34Å; P279-S281 VanDerWaalsContact O-N 3.15Å; S281-S367 VanDerWaalsContact O-CB 3.23Å; S281-S367 WeakPolarHBondContact O-CB 3.46Å; S281-S367 PolarHBondContact O-OG 3.04Å
282	F	78	Confident	80.6	Confident	9 Å²	9	22.8 Å²	22.8	4%	0.039	12%	0.12	C	C	.	.			trans	-79.2	134	-176.2	-176.3	-108.8	0	0	0	111.6	L271 F278 P279 C280 N284 F316 L317 H320 F322 N475	L271-F282 HydrophobicContact CD2-CE2 4.45Å; F278-F282 HydrophobicContact CD2-CB 4.38Å; F278-F282 HydrophobicContact CE2-CB 4.07Å; F278-F282 HydrophobicContact CE2-CD2 4.35Å; F278-F282 HydrophobicContact CE2-CG 4.36Å; P279-F282 WeakPolarHBondContact O-CB 3.37Å; P279-F282 PolarHBondContact O-N 2.86Å; C280-F282 PolarHBondContact O-N 3.22Å; F282-N284 WeakPolarHBondContact CD1-OD1 3.48Å; F282-N284 WeakPolarHBondContact CE1-OD1 3.45Å; F282-F316 HydrophobicContact CB-CE1 4.42Å; F282-F316 HydrophobicContact CD1-CD1 4.39Å; F282-F316 AromaticContact CD1-CE1 3.61Å; F282-F316 HydrophobicContact CD1-CE1 3.61Å; F282-F316 HydrophobicContact CE1-CD1 4.48Å; F282-F316 AromaticContact CE1-CE1 3.97Å; F282-F316 HydrophobicContact CE1-CE1 3.97Å; F282-F316 HydrophobicContact CG-CE1 4.12Å; F282-L317 HydrophobicContact CD2-CD2 4.11Å; F282-L317 HydrophobicContact CE1-CD2 4.47Å; F282-L317 HydrophobicContact CE2-CD2 3.15Å; F282-L317 HydrophobicContact CZ-CD2 3.33Å; F282-H320 HydrophobicContact CE1-CB 4.17Å; F282-F322 HydrophobicContact CE1-CD2 4.1Å; F282-F322 HydrophobicContact CE1-CE1 4.48Å; F282-F322 AromaticContact CE1-CE2 3.53Å; F282-F322 HydrophobicContact CE1-CE2 3.53Å; F282-F322 AromaticContact CE1-CZ 3.74Å; F282-F322 HydrophobicContact CE1-CZ 3.74Å; F282-F322 HydrophobicContact CE2-CD1 4.07Å; F282-F322 AromaticContact CE2-CE1 3.57Å; F282-F322 HydrophobicContact CE2-CE1 3.57Å; F282-F322 HydrophobicContact CE2-CE2 4.12Å; F282-F322 AromaticContact CE2-CZ 3.6Å; F282-F322 HydrophobicContact CE2-CZ 3.6Å; F282-F322 AromaticContact CZ-CD1 3.78Å; F282-F322 HydrophobicContact CZ-CD1 3.78Å; F282-F322 AromaticContact CZ-CD2 3.51Å; F282-F322 HydrophobicContact CZ-CD2 3.51Å; F282-F322 AromaticContact CZ-CE1 3.4Å; F282-F322 HydrophobicContact CZ-CE1 3.4Å; F282-F322 VanDerWaalsContact CZ-CE1 3.4Å; F282-F322 AromaticContact CZ-CE2 3.12Å; F282-F322 HydrophobicContact CZ-CE2 3.12Å; F282-F322 AromaticContact CZ-CG 3.82Å; F282-F322 HydrophobicContact CZ-CG 3.82Å; F282-F322 AromaticContact CZ-CZ 3.05Å; F282-F322 HydrophobicContact CZ-CZ 3.05Å; F282-N475 PolarHBondContact O-ND2 2.97Å
283	F	76	Confident	80.7	Confident	36 Å²	36	28.4 Å²	28.4	16%	0.158	15%	0.15	C	C	.	.			trans	-107.2	101.2	-176.8	-174.9	-124.2	0	0	0	110.1	S285 L286 F289 F322 V473	F283-S285 VanDerWaalsContact C-N 3.26Å; F283-S285 WeakPolarHBondContact CE1-OG 3.33Å; F283-S285 VanDerWaalsContact CE2-OG 3.3Å; F283-S285 WeakPolarHBondContact CE2-OG 3.39Å; F283-S285 WeakPolarHBondContact CZ-OG 3.41Å; F283-S285 PolarHBondContact O-N 3.46Å; F283-L286 HydrophobicContact CD1-CB 4.02Å; F283-L286 HydrophobicContact CD1-CD1 4.39Å; F283-L286 VanDerWaalsContact O-CB 3.26Å; F283-L286 WeakPolarHBondContact O-CB 3.49Å; F283-L286 PolarHBondContact O-N 3.01Å; F283-F289 HydrophobicContact CD1-CD2 4.37Å; F283-F289 HydrophobicContact CD1-CE2 4.41Å; F283-F289 AromaticContact CE1-CD2 3.41Å; F283-F289 HydrophobicContact CE1-CD2 3.41Å; F283-F289 VanDerWaalsContact CE1-CD2 3.41Å; F283-F289 AromaticContact CE1-CE2 3.21Å; F283-F289 HydrophobicContact CE1-CE2 3.21Å; F283-F289 HydrophobicContact CE1-CZ 4.29Å; F283-F289 HydrophobicContact CZ-CD2 4.08Å; F283-F289 AromaticContact CZ-CE2 3.39Å; F283-F289 HydrophobicContact CZ-CE2 3.39Å; F283-F289 HydrophobicContact CZ-CZ 4.15Å; F283-F322 WeakPolarHBondContact O-CZ 3.44Å; F283-V473 HydrophobicContact CB-CG1 4.37Å; F283-V473 HydrophobicContact CD1-CG1 3.97Å; F283-V473 HydrophobicContact CD2-CG1 4.16Å; F283-V473 HydrophobicContact CE1-CG1 4.16Å; F283-V473 HydrophobicContact CE2-CG1 4.4Å; F283-V473 HydrophobicContact CG-CG1 3.94Å; F283-V473 HydrophobicContact CZ-CG1 4.38Å
284	N	77.9	Confident	80.8	Confident	83 Å²	83	29.3 Å²	29.3	44%	0.444	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.3	-171.9	-70.4	-10.7	0	0	0	113.7	F282 L286 P287 F322	F282-N284 WeakPolarHBondContact CD1-OD1 3.48Å; F282-N284 WeakPolarHBondContact CE1-OD1 3.45Å; N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 3.37Å; N284-P287 VanDerWaalsContact O-CD 3.27Å; N284-P287 WeakPolarHBondContact O-CD 3.44Å; N284-F322 VanDerWaalsContact O-CE2 3.26Å; N284-F322 WeakPolarHBondContact O-CE2 3.31Å
285	S	78.3	Confident	81.2	Confident	37 Å²	37	29.4 Å²	29.4	26%	0.259	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	7.5	-179.7	47.2	0	0	0	0	113.6	F283 P287 D288 F289	F283-S285 VanDerWaalsContact C-N 3.26Å; F283-S285 WeakPolarHBondContact CE1-OG 3.33Å; F283-S285 VanDerWaalsContact CE2-OG 3.3Å; F283-S285 WeakPolarHBondContact CE2-OG 3.39Å; F283-S285 WeakPolarHBondContact CZ-OG 3.41Å; F283-S285 PolarHBondContact O-N 3.46Å; S285-P287 VanDerWaalsContact C-N 3.32Å; S285-D288 WeakPolarHBondContact CA-OD2 3.25Å; S285-D288 WeakPolarHBondContact CB-OD2 3.37Å; S285-D288 WeakPolarHBondContact O-CA 3.37Å; S285-D288 VanDerWaalsContact O-CB 3.27Å; S285-D288 WeakPolarHBondContact O-CB 3.4Å; S285-D288 PolarHBondContact O-N 2.98Å; S285-F289 WeakPolarHBondContact O-CD2 3.37Å; S285-F289 WeakPolarHBondContact O-CE2 3.45Å; S285-F289 PolarHBondContact O-N 3.27Å
286	L	81.7	Confident	81.4	Confident	6 Å²	6	29.1 Å²	29.1	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-49.1	-44.7	175.6	-173.4	70.8	0	0	0	113.6	L271 F283 N284 D288 F289 I290 F322 L365	L271-L286 HydrophobicContact CD1-CD2 3.8Å; L271-L286 HydrophobicContact CD2-CD2 4.17Å; F283-L286 HydrophobicContact CD1-CB 4.02Å; F283-L286 HydrophobicContact CD1-CD1 4.39Å; F283-L286 VanDerWaalsContact O-CB 3.26Å; F283-L286 WeakPolarHBondContact O-CB 3.49Å; F283-L286 PolarHBondContact O-N 3.01Å; N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 3.37Å; L286-D288 PolarHBondContact O-N 2.8Å; L286-F289 PolarHBondContact O-N 3.34Å; L286-I290 HydrophobicContact CD1-CG2 4.04Å; L286-I290 HydrophobicContact CD2-CD1 4.45Å; L286-I290 HydrophobicContact CG-CD1 4.18Å; L286-I290 HydrophobicContact CG-CG2 4.23Å; L286-I290 WeakPolarHBondContact O-CG1 3.45Å; L286-I290 PolarHBondContact O-N 2.89Å; L286-I290 VanDerWaalsContact O-N 3.07Å; L286-F322 HydrophobicContact CB-CE1 4.01Å; L286-F322 HydrophobicContact CB-CZ 3.94Å; L286-F322 HydrophobicContact CD2-CE1 4.14Å; L286-L365 HydrophobicContact CD1-CD2 4.37Å
287	P	84.5	Confident	81.8	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.013	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-32.5	178.8	-17.8	30.9	0	0	0	112.3	N284 S285 F289 G291 F322 R325 L326	N284-P287 VanDerWaalsContact O-CD 3.27Å; N284-P287 WeakPolarHBondContact O-CD 3.44Å; S285-P287 VanDerWaalsContact C-N 3.32Å; P287-F289 PolarHBondContact O-N 3.23Å; P287-G291 WeakPolarHBondContact O-CA 3.37Å; P287-G291 PolarHBondContact O-N 2.88Å; P287-F322 VanDerWaalsContact CD-CZ 3.44Å; P287-F322 HydrophobicContact CG-CD1 4.17Å; P287-F322 HydrophobicContact CG-CD2 4.09Å; P287-F322 HydrophobicContact CG-CE1 3.92Å; P287-F322 HydrophobicContact CG-CE2 3.81Å; P287-F322 HydrophobicContact CG-CG 4.25Å; P287-F322 HydrophobicContact CG-CZ 3.73Å; P287-R325 HydrophobicContact CB-CB 4.18Å; P287-L326 HydrophobicContact CB-CD1 4.14Å; P287-L326 HydrophobicContact CB-CD2 4.43Å; P287-L326 HydrophobicContact CB-CG 4.24Å; P287-L326 HydrophobicContact CG-CD1 3.91Å; P287-L326 HydrophobicContact CG-CG 4.42Å
288	D	83.9	Confident	82.2	Confident	73 Å²	73	28 Å²	28	39%	0.39	15%	0.148	S	C	.	.	H	α-helix	trans	-66.6	-24.1	177	-58.2	-46	0	0	0	112.5	K262 S285 L286 R325	K262-D288 WeakPolarHBondContact CE-O 3.15Å; K262-D288 PolarHBondContact NZ-O 3.01Å; S285-D288 WeakPolarHBondContact CA-OD2 3.25Å; S285-D288 WeakPolarHBondContact CB-OD2 3.37Å; S285-D288 WeakPolarHBondContact O-CA 3.37Å; S285-D288 VanDerWaalsContact O-CB 3.27Å; S285-D288 WeakPolarHBondContact O-CB 3.4Å; S285-D288 PolarHBondContact O-N 2.98Å; L286-D288 PolarHBondContact O-N 2.8Å; D288-R325 IonicContact OD1-CZ 3.92Å; D288-R325 IonicContact OD1-NH1 2.79Å; D288-R325 PolarHBondContact OD1-NH1 3.13Å; D288-R325 IonicContact OD1-NH2 3.78Å; D288-R325 PolarHBondContact OD1-NH2 3.1Å; D288-R325 IonicContact OD2-NH1 3.57Å
289	F	79.3	Confident	82.3	Confident	43 Å²	43	27.9 Å²	27.9	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-95.6	-36.8	179.1	-60.7	-73.9	0	0	0	113.2	T255 I258 K262 F283 S285 L286 P287	T255-F289 HydrophobicContact CG2-CD1 4.05Å; T255-F289 HydrophobicContact CG2-CE1 3.38Å; T255-F289 HydrophobicContact CG2-CZ 4.03Å; I258-F289 HydrophobicContact CB-CB 4.45Å; I258-F289 HydrophobicContact CG2-CB 3.59Å; K262-F289 WeakPolarHBondContact CE-O 3.36Å; K262-F289 WeakPolarHBondContact CG-O 3.45Å; F283-F289 HydrophobicContact CD1-CD2 4.37Å; F283-F289 HydrophobicContact CD1-CE2 4.41Å; F283-F289 AromaticContact CE1-CD2 3.41Å; F283-F289 HydrophobicContact CE1-CD2 3.41Å; F283-F289 VanDerWaalsContact CE1-CD2 3.41Å; F283-F289 AromaticContact CE1-CE2 3.21Å; F283-F289 HydrophobicContact CE1-CE2 3.21Å; F283-F289 HydrophobicContact CE1-CZ 4.29Å; F283-F289 HydrophobicContact CZ-CD2 4.08Å; F283-F289 AromaticContact CZ-CE2 3.39Å; F283-F289 HydrophobicContact CZ-CE2 3.39Å; F283-F289 HydrophobicContact CZ-CZ 4.15Å; S285-F289 WeakPolarHBondContact O-CD2 3.37Å; S285-F289 WeakPolarHBondContact O-CE2 3.45Å; S285-F289 PolarHBondContact O-N 3.27Å; L286-F289 PolarHBondContact O-N 3.34Å; P287-F289 PolarHBondContact O-N 3.23Å
290	I	81.6	Confident	82.4	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-85.7	-21	-178.1	66.9	-177.3	0	0	0	113.1	I258 L261 K262 I269 L286 K294 L326 L365	I258-I290 HydrophobicContact CG2-CG2 3.89Å; L261-I290 HydrophobicContact CD1-CG2 4.34Å; K262-I290 WeakPolarHBondContact CA-O 3.5Å; I269-I290 HydrophobicContact CD1-CB 3.73Å; I269-I290 HydrophobicContact CD1-CD1 3.61Å; I269-I290 HydrophobicContact CD1-CG1 4.06Å; I269-I290 HydrophobicContact CD1-CG2 4.08Å; L286-I290 HydrophobicContact CD1-CG2 4.04Å; L286-I290 HydrophobicContact CD2-CD1 4.45Å; L286-I290 HydrophobicContact CG-CD1 4.18Å; L286-I290 HydrophobicContact CG-CG2 4.23Å; L286-I290 WeakPolarHBondContact O-CG1 3.45Å; L286-I290 PolarHBondContact O-N 2.89Å; L286-I290 VanDerWaalsContact O-N 3.07Å; I290-K294 WeakPolarHBondContact O-CE 3.18Å; I290-L326 HydrophobicContact CD1-CD1 3.71Å; I290-L326 HydrophobicContact CD1-CD2 3.56Å; I290-L326 HydrophobicContact CD1-CG 4.3Å; I290-L326 HydrophobicContact CG1-CD2 4.03Å; I290-L365 HydrophobicContact CG2-CD1 3.77Å
291	G	82.6	Confident	82.5	Confident	13 Å²	13	28.1 Å²	28.1	13%	0.134	15%	0.149	C	C	.	.			trans	91	165.6	-175.2	0	0	0	0	0	113.1	P287 K294 L326	P287-G291 WeakPolarHBondContact O-CA 3.37Å; P287-G291 PolarHBondContact O-N 2.88Å; G291-K294 WeakPolarHBondContact O-CG 3.32Å; G291-L326 WeakPolarHBondContact O-CD2 3.29Å
292	E	85.5	Confident	82.6	Confident	112 Å²	112	28.9 Å²	28.9	52%	0.523	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	161.6	-174.9	-56.8	-170.3	162.2	0	0	112.4	K294 R325	E292-K294 PolarHBondContact O-N 3.04Å; E292-R325 CarbonylContact C-O 3.59Å; E292-R325 WeakPolarHBondContact CA-O 3.12Å; E292-R325 IonicContact OE1-CZ 2.65Å; E292-R325 IonicContact OE1-NE 3.73Å; E292-R325 PolarHBondContact OE1-NE 2.89Å; E292-R325 VanDerWaalsContact OE1-NE 3.17Å; E292-R325 IonicContact OE1-NH2 3.71Å; E292-R325 PolarHBondContact OE1-NH2 2.95Å; E292-R325 VanDerWaalsContact OE1-NH2 3.12Å
293	N	84.6	Confident	82	Confident	131 Å²	131	28.9 Å²	28.9	70%	0.701	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	16.4	177.9	-62.5	-49.6	0	0	0	115.3	R325	N293-R325 PolarHBondContact N-O 2.99Å
294	K	84.2	Confident	81.2	Confident	19 Å²	19	29.5 Å²	29.5	8%	0.083	16%	0.162	C	C	.	.			trans	-71.3	146.7	173.5	-57.3	-61.8	-175.8	-172.2	0	110.7	L261 K262 L264 I269 I290 G291 E292 L326 N327	L261-K294 WeakPolarHBondContact O-CE 3.3Å; L261-K294 PolarHBondContact O-NZ 2.72Å; K262-K294 PolarHBondContact O-NZ 3.38Å; L264-K294 PolarHBondContact O-NZ 3.11Å; I269-K294 HydrophobicContact CD1-CB 3.78Å; I269-K294 HydrophobicContact CD1-CG 4.14Å; I290-K294 WeakPolarHBondContact O-CE 3.18Å; G291-K294 WeakPolarHBondContact O-CG 3.32Å; E292-K294 PolarHBondContact O-N 3.04Å; K294-L326 HydrophobicContact CB-CD2 4.18Å; K294-N327 PolarHBondContact O-N 2.81Å
295	S	87.2	Confident	80.1	Confident	13 Å²	13	27.2 Å²	27.2	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.8	176.2	-75.1	0	0	0	0	110.9	I269 W353	I269-S295 PolarHBondContact N-O 2.87Å; S295-W353 VanDerWaalsContact CB-CZ2 3.48Å
296	V	87	Confident	78.9	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.8	-174.8	-175.7	0	0	0	0	111	I269 L271 V298 L326 N327 I328 I329	I269-V296 HydrophobicContact CB-CG2 4.13Å; I269-V296 HydrophobicContact CG2-CG1 4.26Å; I269-V296 HydrophobicContact CG2-CG2 4.3Å; I269-V296 CarbonylContact O-C 3.03Å; I269-V296 VanDerWaalsContact O-CA 3.31Å; I269-V296 WeakPolarHBondContact O-CA 3.12Å; L271-V296 HydrophobicContact CB-CG1 4.04Å; V296-V298 HydrophobicContact CG1-CG2 4.13Å; V296-L326 HydrophobicContact CG2-CB 4.07Å; V296-L326 HydrophobicContact CG2-CD1 4.14Å; V296-L326 HydrophobicContact CG2-CD2 4.45Å; V296-L326 HydrophobicContact CG2-CG 4.46Å; V296-N327 PolarHBondContact N-O 3.01Å; V296-I328 CarbonylContact O-C 3.28Å; V296-I328 WeakPolarHBondContact O-CA 3.5Å; V296-I329 PolarHBondContact O-N 2.86Å
297	I	88	Confident	78	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.5	164	-65.7	172.5	0	0	0	107.5	L268 I269 I270 L271 L299 I329 L330 L345 F348 I349	L268-I297 HydrophobicContact CD1-CD1 3.87Å; L268-I297 HydrophobicContact CD1-CG1 3.9Å; L268-I297 HydrophobicContact CD2-CD1 3.94Å; L268-I297 HydrophobicContact CG-CD1 4.37Å; I269-I297 PolarHBondContact O-N 2.79Å; I270-I297 CarbonylContact C-O 3.46Å; I270-I297 WeakPolarHBondContact CA-O 3.43Å; L271-I297 PolarHBondContact N-O 2.86Å; I297-L299 HydrophobicContact CG2-CD2 3.78Å; I297-L299 HydrophobicContact CG2-CG 4.28Å; I297-I329 HydrophobicContact CG1-CB 4.27Å; I297-L330 WeakPolarHBondContact CA-O 3.43Å; I297-L330 HydrophobicContact CG1-CB 4.48Å; I297-L330 HydrophobicContact CG2-CB 4.43Å; I297-L330 HydrophobicContact CG2-CD2 4.5Å; I297-L345 HydrophobicContact CG2-CD1 4.24Å; I297-F348 HydrophobicContact CD1-CD1 4.06Å; I297-F348 HydrophobicContact CD1-CE1 3.76Å; I297-F348 HydrophobicContact CG1-CE1 4.43Å; I297-I349 HydrophobicContact CD1-CG1 4.2Å
298	V	88.3	Confident	77.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.1	178.5	-176.8	0	0	0	0	108.7	L271 V273 V296 V313 L317 I328 L330 T331 K332	L271-V298 HydrophobicContact CD2-CG2 4.46Å; L271-V298 WeakPolarHBondContact O-CA 3.16Å; V273-V298 HydrophobicContact CG2-CG1 3.99Å; V296-V298 HydrophobicContact CG1-CG2 4.13Å; V298-V313 HydrophobicContact CG1-CG1 3.98Å; V298-L317 HydrophobicContact CB-CD1 4.43Å; V298-L317 HydrophobicContact CG1-CD1 4.21Å; V298-L317 HydrophobicContact CG2-CD1 3.67Å; V298-I328 HydrophobicContact CG2-CG2 4.13Å; V298-L330 PolarHBondContact N-O 2.87Å; V298-T331 HydrophobicContact CB-CG2 4.14Å; V298-T331 HydrophobicContact CG1-CG2 4.16Å; V298-T331 CarbonylContact O-C 3.6Å; V298-T331 VanDerWaalsContact O-CA 3.31Å; V298-T331 WeakPolarHBondContact O-CA 3.25Å; V298-K332 PolarHBondContact O-N 2.94Å
299	L	87.1	Confident	77.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.6	177.7	-60.4	-177.1	0	0	0	109.5	I270 L271 L272 V273 I297 K332 I334 L345	I270-L299 HydrophobicContact CG2-CD1 3.2Å; I270-L299 HydrophobicContact CG2-CG 3.73Å; L271-L299 PolarHBondContact O-N 2.89Å; L272-L299 WeakPolarHBondContact CA-O 3.36Å; L272-L299 HydrophobicContact CD1-CB 3.73Å; L272-L299 HydrophobicContact CD1-CD1 4.47Å; V273-L299 PolarHBondContact N-O 2.76Å; I297-L299 HydrophobicContact CG2-CD2 3.78Å; I297-L299 HydrophobicContact CG2-CG 4.28Å; L299-K332 CarbonylContact C-O 3.46Å; L299-K332 WeakPolarHBondContact CA-O 3.41Å; L299-K332 HydrophobicContact CD2-CB 4.24Å; L299-I334 HydrophobicContact CB-CD1 4.16Å; L299-I334 HydrophobicContact CB-CG1 4.33Å; L299-I334 HydrophobicContact CD1-CD1 4.05Å; L299-I334 HydrophobicContact CD2-CG2 4.45Å; L299-L345 HydrophobicContact CD1-CD1 4.5Å; L299-L345 HydrophobicContact CD1-CD2 3.36Å; L299-L345 HydrophobicContact CD2-CD1 3.7Å; L299-L345 HydrophobicContact CD2-CD2 3.76Å; L299-L345 HydrophobicContact CD2-CG 4.31Å; L299-L345 HydrophobicContact CG-CD2 4.22Å
300	V	85.5	Confident	77.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	110	176	-172.6	0	0	0	0	108.2	L275 V303 V309 V313 T331 K332 V333 I334	L275-V300 HydrophobicContact CB-CG1 3.87Å; L275-V300 HydrophobicContact CD1-CG1 3.96Å; L275-V300 HydrophobicContact CG-CG1 4.39Å; V300-V303 HydrophobicContact CB-CG2 4.49Å; V300-V303 HydrophobicContact CG1-CG2 3.79Å; V300-V309 HydrophobicContact CG1-CG1 3.78Å; V300-V313 HydrophobicContact CG2-CB 4.3Å; V300-V313 HydrophobicContact CG2-CG1 4.19Å; V300-V313 HydrophobicContact CG2-CG2 3.93Å; V300-T331 HydrophobicContact CG2-CG2 4.11Å; V300-K332 PolarHBondContact N-O 3.43Å; V300-V333 WeakPolarHBondContact O-CA 3.49Å; V300-I334 PolarHBondContact O-N 3.46Å; V300-I334 VanDerWaalsContact O-O 3.11Å
301	N	81.4	Confident	77.7	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	165	-178.4	-162.9	14.1	0	0	0	112.2	L272 V273 L275 V303 I334 A336	L272-N301 HydrophobicContact CD1-CB 3.9Å; L272-N301 HydrophobicContact CG-CB 4.38Å; V273-N301 PolarHBondContact O-N 2.65Å; L275-N301 VanDerWaalsContact CB-O 3.29Å; L275-N301 WeakPolarHBondContact CB-O 3.39Å; L275-N301 PolarHBondContact N-O 3.06Å; N301-V303 PolarHBondContact O-N 2.77Å; N301-I334 CarbonylContact C-O 3.56Å; N301-I334 WeakPolarHBondContact CA-O 3.36Å; N301-A336 WeakPolarHBondContact OD1-CB 3.19Å; N301-A336 PolarHBondContact OD1-N 2.79Å
302	K	72.3	Confident	77.9	Confident	16 Å²	16	42.9 Å²	42.9	7%	0.07	22%	0.221	C	C	.	.	S	Bend	trans	65.3	27.3	173.1	-50.1	-172.5	-161.4	163.7	0	116	D274 L276 I334 F370	D274-K302 VanDerWaalsContact CG-CE 3.47Å; D274-K302 WeakPolarHBondContact OD1-CD 3.48Å; D274-K302 WeakPolarHBondContact OD1-CE 3.42Å; D274-K302 IonicContact OD1-NZ 3.16Å; D274-K302 PolarHBondContact OD1-NZ 3.38Å; D274-K302 WeakPolarHBondContact OD2-CE 3.17Å; D274-K302 IonicContact OD2-NZ 3.49Å; D274-K302 PolarHBondContact OD2-NZ 3.47Å; L276-K302 HydrophobicContact CD1-CD 3.66Å; L276-K302 HydrophobicContact CG-CB 4.44Å; L276-K302 HydrophobicContact CG-CD 3.97Å; K302-I334 PolarHBondContact N-O 3.28Å; K302-F370 HydrophobicContact CD-CE1 4.37Å; K302-F370 HydrophobicContact CD-CZ 4.14Å; K302-F370 VanDerWaalsContact CE-CE2 3.48Å
303	V	65.1	Low	78	Confident	9 Å²	9	37.6 Å²	37.6	6%	0.055	20%	0.196	C	C	.	.			trans	-102.1	131.8	179	-167.2	0	0	0	0	109.4	L275 V300 N301 L305 V333	L275-V303 HydrophobicContact CB-CG2 4.01Å; L275-V303 HydrophobicContact CD2-CB 4.15Å; L275-V303 HydrophobicContact CD2-CG1 4.05Å; L275-V303 HydrophobicContact CD2-CG2 3.41Å; L275-V303 VanDerWaalsContact CD2-CG2 3.41Å; L275-V303 HydrophobicContact CG-CG2 4.24Å; V300-V303 HydrophobicContact CB-CG2 4.49Å; V300-V303 HydrophobicContact CG1-CG2 3.79Å; N301-V303 PolarHBondContact O-N 2.77Å; V303-L305 WeakPolarHBondContact CG1-O 3.49Å; V303-V333 HydrophobicContact CB-CG1 3.14Å; V303-V333 HydrophobicContact CG1-CG1 3.61Å; V303-V333 HydrophobicContact CG2-CG1 3.3Å
304	C	58.9	Low	78.2	Confident	50 Å²	50	36.4 Å²	36.4	34%	0.338	18%	0.182	S	C	.	.			trans	-117.9	-3.6	173.3	-59.7	0	0	0	0	113.4	V647 F649	C304-V647 HydrophobicContact CB-CB 4.32Å; C304-V647 WeakPolarHBondContact CB-O 3.32Å; C304-V647 PolarHBondContact SG-O 3.28Å; C304-F649 VanDerWaalsContact SG-CD2 3.6Å
305	L	56	Low	78.4	Confident	34 Å²	34	36.2 Å²	36.2	18%	0.178	19%	0.186	C	C	.	.	S	Bend	trans	-125.4	133.9	-176.8	-66.4	177.5	0	0	0	111.4	V303 L307 L638 K643 L646	V303-L305 WeakPolarHBondContact CG1-O 3.49Å; L305-L307 HydrophobicContact CB-CD1 3.94Å; L305-L307 HydrophobicContact CB-CG 4.33Å; L305-L307 PolarHBondContact O-N 2.82Å; L305-L638 HydrophobicContact CD1-CD2 4.48Å; L305-K643 HydrophobicContact CD1-CD 4.31Å; L305-K643 HydrophobicContact CD2-CD 3.81Å; L305-L646 HydrophobicContact CD1-CD1 4.08Å
306	F	53.1	Low	78.5	Confident	184 Å²	184	36.2 Å²	36.2	81%	0.807	19%	0.185	S	C	*	.			trans	-65.5	99.3	172	-79.6	-90.3	0	0	0	109.5	W340	F306-W340 HydrophobicContact CE2-CZ2 4.14Å; F306-W340 HydrophobicContact CZ-CH2 4.2Å; F306-W340 AromaticContact CZ-CZ2 3.79Å; F306-W340 HydrophobicContact CZ-CZ2 3.79Å
307	L	62.7	Low	78.6	Confident	40 Å²	40	36.1 Å²	36.1	21%	0.209	18%	0.184	C	C	.	.			trans	-131.2	158.3	175.9	-70	155.8	0	0	0	106.9	L305 V309 F637	L305-L307 HydrophobicContact CB-CD1 3.94Å; L305-L307 HydrophobicContact CB-CG 4.33Å; L305-L307 PolarHBondContact O-N 2.82Å; L307-V309 HydrophobicContact CB-CG2 3.75Å; L307-V309 PolarHBondContact O-N 3.02Å; L307-F637 HydrophobicContact CD1-CB 4.08Å; L307-F637 WeakPolarHBondContact CD1-O 3.26Å; L307-F637 WeakPolarHBondContact CD2-O 3.3Å; L307-F637 WeakPolarHBondContact CG-O 3.4Å
308	P	72.8	Confident	78.7	Confident	83 Å²	83	42.4 Å²	42.4	54%	0.539	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	33.7	177.3	31	-35.7	0	0	0	112.9	C310 Q311 Y312	P308-C310 VanDerWaalsContact C-N 3.31Å; P308-C310 PolarHBondContact O-N 3.44Å; P308-Q311 HydrophobicContact CB-CB 4.44Å; P308-Q311 VanDerWaalsContact CB-OE1 3.27Å; P308-Q311 WeakPolarHBondContact O-CB 3.22Å; P308-Q311 PolarHBondContact O-N 3.36Å; P308-Q311 VanDerWaalsContact O-N 3.11Å; P308-Y312 PolarHBondContact O-N 3.44Å
309	V	81.6	Confident	78.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-42.6	178.5	170	0	0	0	0	111	L275 V300 L307 Q311 Y312 V313 F637	L275-V309 HydrophobicContact CD1-CB 4.47Å; L275-V309 HydrophobicContact CD1-CG1 3.36Å; L275-V309 HydrophobicContact CD1-CG2 4.26Å; L275-V309 HydrophobicContact CD2-CG1 4.14Å; L275-V309 HydrophobicContact CD2-CG2 4.1Å; L275-V309 HydrophobicContact CG-CG1 4.37Å; V300-V309 HydrophobicContact CG1-CG1 3.78Å; L307-V309 HydrophobicContact CB-CG2 3.75Å; L307-V309 PolarHBondContact O-N 3.02Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 2.86Å; V309-Y312 PolarHBondContact O-N 3.01Å; V309-V313 HydrophobicContact CG1-CG2 4.24Å; V309-V313 WeakPolarHBondContact O-CB 3.4Å; V309-V313 VanDerWaalsContact O-CG2 3.31Å; V309-V313 WeakPolarHBondContact O-CG2 3.12Å; V309-V313 PolarHBondContact O-N 2.98Å; V309-F637 HydrophobicContact CG2-CD1 3.94Å; V309-F637 HydrophobicContact CG2-CE1 4.17Å; V309-F637 HydrophobicContact CG2-CG 4.19Å
310	C	83.5	Confident	78.6	Confident	32 Å²	32	50.2 Å²	50.2	22%	0.216	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-38.6	177.3	-76.2	0	0	0	0	112.7	P308 Y314 T331 V333	P308-C310 VanDerWaalsContact C-N 3.31Å; P308-C310 PolarHBondContact O-N 3.44Å; C310-Y314 WeakPolarHBondContact O-CB 3.36Å; C310-Y314 PolarHBondContact O-N 3.48Å; C310-T331 HydrophobicContact CB-CG2 4.06Å; C310-V333 WeakPolarHBondContact SG-CG2 3.07Å
311	Q	84.5	Confident	78.7	Confident	147 Å²	147	51 Å²	51	69%	0.687	26%	0.256	S	S	*	.	H	α-helix	trans	-67.9	-43.3	178	-68.8	173	-23.1	0	0	110.3	P308 V309 Y314 G315	P308-Q311 HydrophobicContact CB-CB 4.44Å; P308-Q311 VanDerWaalsContact CB-OE1 3.27Å; P308-Q311 WeakPolarHBondContact O-CB 3.22Å; P308-Q311 PolarHBondContact O-N 3.36Å; P308-Q311 VanDerWaalsContact O-N 3.11Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 2.86Å; Q311-Y314 PolarHBondContact O-N 3.33Å; Q311-G315 PolarHBondContact O-N 3.08Å
312	Y	86.9	Confident	79	Confident	19 Å²	19	50.9 Å²	50.9	8%	0.075	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-50.1	175	174.7	-103.8	0	0	0	112.3	F278 P308 V309 Y314 G315 F316 L591 R634 P635 F637	F278-Y312 HydrophobicContact CD1-CD1 4.29Å; F278-Y312 AromaticContact CD1-CE1 3.75Å; F278-Y312 HydrophobicContact CD1-CE1 3.75Å; F278-Y312 HydrophobicContact CE1-CD1 4.04Å; F278-Y312 AromaticContact CE1-CE1 3.57Å; F278-Y312 HydrophobicContact CE1-CE1 3.57Å; P308-Y312 PolarHBondContact O-N 3.44Å; V309-Y312 PolarHBondContact O-N 3.01Å; Y312-Y314 VanDerWaalsContact C-N 3.33Å; Y312-Y314 PolarHBondContact O-N 3.21Å; Y312-G315 PolarHBondContact O-N 3.21Å; Y312-F316 WeakPolarHBondContact O-CB 3.38Å; Y312-F316 PolarHBondContact O-N 3.5Å; Y312-L591 HydrophobicContact CD2-CB 4.03Å; Y312-L591 HydrophobicContact CD2-CD1 4.01Å; Y312-L591 HydrophobicContact CD2-CG 4.49Å; Y312-L591 HydrophobicContact CE2-CB 3.67Å; Y312-L591 HydrophobicContact CE2-CD1 3.52Å; Y312-L591 HydrophobicContact CE2-CG 4.19Å; Y312-R634 HydrophobicContact CE1-CB 3.96Å; Y312-R634 HydrophobicContact CE2-CB 4.14Å; Y312-R634 VanDerWaalsContact CZ-CB 3.49Å; Y312-R634 WeakPolarHBondContact OH-CB 3.39Å; Y312-P635 VanDerWaalsContact CD2-CD 3.45Å; Y312-P635 HydrophobicContact CD2-CG 3.81Å; Y312-P635 HydrophobicContact CE2-CG 3.98Å; Y312-F637 AromaticContact CD1-CE1 3.8Å; Y312-F637 HydrophobicContact CD1-CE1 3.8Å; Y312-F637 AromaticContact CD1-CZ 3.63Å; Y312-F637 HydrophobicContact CD1-CZ 3.63Å; Y312-F637 HydrophobicContact CE1-CE1 4.37Å; Y312-F637 AromaticContact CE1-CZ 3.92Å; Y312-F637 HydrophobicContact CE1-CZ 3.92Å; Y312-F637 HydrophobicContact CG-CE1 4.16Å; Y312-F637 HydrophobicContact CG-CZ 4.44Å
313	V	87.4	Confident	79.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-44.5	178.4	172.2	0	0	0	0	110.5	F278 V298 V300 V309 F316 L317 T331	F278-V313 HydrophobicContact CD1-CG2 4.05Å; F278-V313 HydrophobicContact CE1-CB 4.36Å; F278-V313 HydrophobicContact CE1-CG2 3.8Å; F278-V313 HydrophobicContact CZ-CB 4.38Å; F278-V313 HydrophobicContact CZ-CG1 4.12Å; F278-V313 HydrophobicContact CZ-CG2 4.17Å; V298-V313 HydrophobicContact CG1-CG1 3.98Å; V300-V313 HydrophobicContact CG2-CB 4.3Å; V300-V313 HydrophobicContact CG2-CG1 4.19Å; V300-V313 HydrophobicContact CG2-CG2 3.93Å; V309-V313 HydrophobicContact CG1-CG2 4.24Å; V309-V313 WeakPolarHBondContact O-CB 3.4Å; V309-V313 VanDerWaalsContact O-CG2 3.31Å; V309-V313 WeakPolarHBondContact O-CG2 3.12Å; V309-V313 PolarHBondContact O-N 2.98Å; V313-F316 PolarHBondContact O-N 3.48Å; V313-L317 HydrophobicContact CG1-CD1 4.18Å; V313-L317 VanDerWaalsContact O-CG 3.23Å; V313-L317 WeakPolarHBondContact O-CG 3.49Å; V313-L317 PolarHBondContact O-N 3.35Å; V313-T331 HydrophobicContact CB-CG2 4.48Å; V313-T331 HydrophobicContact CG1-CG2 4.3Å
314	Y	88.9	Confident	80.7	Confident	106 Å²	106	57.4 Å²	57.4	42%	0.416	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-42.7	176.8	-177.4	-97	0	0	0	112.5	C310 Q311 Y312 F316 L317 K318 I328	C310-Y314 WeakPolarHBondContact O-CB 3.36Å; C310-Y314 PolarHBondContact O-N 3.48Å; Q311-Y314 PolarHBondContact O-N 3.33Å; Y312-Y314 VanDerWaalsContact C-N 3.33Å; Y312-Y314 PolarHBondContact O-N 3.21Å; Y314-F316 VanDerWaalsContact C-N 3.34Å; Y314-F316 PolarHBondContact O-N 3.32Å; Y314-L317 PolarHBondContact O-N 3.24Å; Y314-K318 PolarHBondContact O-N 2.94Å; Y314-I328 HydrophobicContact CD2-CG2 4.26Å; Y314-I328 HydrophobicContact CE2-CB 4.45Å; Y314-I328 HydrophobicContact CE2-CG2 4.21Å
315	G	88.7	Confident	82.2	Confident	16 Å²	16	58.4 Å²	58.4	17%	0.165	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-44.6	174.4	0	0	0	0	0	112	Q311 Y312 L317 K318 E319	Q311-G315 PolarHBondContact O-N 3.08Å; Y312-G315 PolarHBondContact O-N 3.21Å; G315-L317 PolarHBondContact O-N 3.48Å; G315-K318 WeakPolarHBondContact O-CB 3.47Å; G315-K318 PolarHBondContact O-N 3.22Å; G315-K318 VanDerWaalsContact O-N 3.15Å; G315-E319 WeakPolarHBondContact O-CG 3.2Å; G315-E319 PolarHBondContact O-N 3.45Å
316	F	89.2	Confident	83.7	Confident	13 Å²	13	57.1 Å²	57.1	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-44.8	175.5	-171.5	-85.3	0	0	0	112.4	F278 P279 F282 Y312 V313 Y314 K318 E319 H320 L591	F278-F316 HydrophobicContact CE1-CB 4.04Å; F278-F316 HydrophobicContact CE1-CD1 4.18Å; F278-F316 HydrophobicContact CE1-CD2 4.48Å; F278-F316 AromaticContact CE1-CG 3.97Å; F278-F316 HydrophobicContact CE1-CG 3.97Å; F278-F316 HydrophobicContact CE2-CD1 4.14Å; F278-F316 HydrophobicContact CE2-CE1 4.49Å; F278-F316 HydrophobicContact CZ-CB 3.87Å; F278-F316 AromaticContact CZ-CD1 3.44Å; F278-F316 HydrophobicContact CZ-CD1 3.44Å; F278-F316 VanDerWaalsContact CZ-CD1 3.44Å; F278-F316 HydrophobicContact CZ-CE1 4.12Å; F278-F316 AromaticContact CZ-CG 3.67Å; F278-F316 HydrophobicContact CZ-CG 3.67Å; P279-F316 HydrophobicContact CB-CD1 4.4Å; P279-F316 HydrophobicContact CB-CD2 4.15Å; P279-F316 HydrophobicContact CB-CE1 3.74Å; P279-F316 HydrophobicContact CB-CE2 3.45Å; P279-F316 VanDerWaalsContact CB-CE2 3.45Å; P279-F316 HydrophobicContact CB-CZ 3.21Å; P279-F316 HydrophobicContact CG-CE2 3.81Å; P279-F316 HydrophobicContact CG-CZ 3.97Å; F282-F316 HydrophobicContact CB-CE1 4.42Å; F282-F316 HydrophobicContact CD1-CD1 4.39Å; F282-F316 AromaticContact CD1-CE1 3.61Å; F282-F316 HydrophobicContact CD1-CE1 3.61Å; F282-F316 HydrophobicContact CE1-CD1 4.48Å; F282-F316 AromaticContact CE1-CE1 3.97Å; F282-F316 HydrophobicContact CE1-CE1 3.97Å; F282-F316 HydrophobicContact CG-CE1 4.12Å; Y312-F316 WeakPolarHBondContact O-CB 3.38Å; Y312-F316 PolarHBondContact O-N 3.5Å; V313-F316 PolarHBondContact O-N 3.48Å; Y314-F316 VanDerWaalsContact C-N 3.34Å; Y314-F316 PolarHBondContact O-N 3.32Å; F316-K318 VanDerWaalsContact C-N 3.28Å; F316-K318 PolarHBondContact O-N 3.06Å; F316-E319 PolarHBondContact O-N 3.11Å; F316-H320 AromaticContact CD1-ND1 3.71Å; F316-H320 AromaticContact CD2-CE1 3.83Å; F316-H320 AromaticContact CE1-CE1 3.48Å; F316-H320 VanDerWaalsContact CE1-CE1 3.48Å; F316-H320 WeakPolarHBondContact CE1-CE1 3.41Å; F316-H320 AromaticContact CE1-CG 3.99Å; F316-H320 AromaticContact CE1-ND1 3.5Å; F316-H320 AromaticContact CE1-NE2 3.89Å; F316-H320 AromaticContact CE2-CE1 3.28Å; F316-H320 WeakPolarHBondContact CE2-CE1 3.43Å; F316-H320 AromaticContact CE2-ND1 3.95Å; F316-H320 AromaticContact CE2-NE2 3.98Å; F316-H320 AromaticContact CZ-CE1 3.07Å; F316-H320 WeakPolarHBondContact CZ-CE1 3.26Å; F316-H320 AromaticContact CZ-ND1 3.62Å; F316-H320 AromaticContact CZ-NE2 3.42Å; F316-H320 WeakPolarHBondContact CZ-NE2 3.36Å; F316-H320 PolarHBondContact O-N 2.93Å; F316-H320 VanDerWaalsContact O-N 3.14Å; F316-H320 PolarHBondContact O-ND1 2.59Å; F316-L591 HydrophobicContact CB-CD1 3.79Å; F316-L591 HydrophobicContact CD2-CD1 3.92Å; F316-L591 HydrophobicContact CG-CD1 4.36Å
317	L	89	Confident	85.4	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-38.2	175.3	-67.9	173.1	0	0	0	112	F282 V298 V313 Y314 G315 H320 G321 F322 I328	F282-L317 HydrophobicContact CD2-CD2 4.11Å; F282-L317 HydrophobicContact CE1-CD2 4.47Å; F282-L317 HydrophobicContact CE2-CD2 3.15Å; F282-L317 HydrophobicContact CZ-CD2 3.33Å; V298-L317 HydrophobicContact CB-CD1 4.43Å; V298-L317 HydrophobicContact CG1-CD1 4.21Å; V298-L317 HydrophobicContact CG2-CD1 3.67Å; V313-L317 HydrophobicContact CG1-CD1 4.18Å; V313-L317 VanDerWaalsContact O-CG 3.23Å; V313-L317 WeakPolarHBondContact O-CG 3.49Å; V313-L317 PolarHBondContact O-N 3.35Å; Y314-L317 PolarHBondContact O-N 3.24Å; G315-L317 PolarHBondContact O-N 3.48Å; L317-H320 PolarHBondContact O-N 2.91Å; L317-G321 PolarHBondContact O-N 3.18Å; L317-F322 HydrophobicContact CB-CB 4.15Å; L317-F322 HydrophobicContact CD2-CB 4.3Å; L317-F322 HydrophobicContact CD2-CD1 4.01Å; L317-F322 HydrophobicContact CD2-CG 4.12Å; L317-F322 WeakPolarHBondContact O-CB 3.23Å; L317-F322 PolarHBondContact O-N 3.4Å; L317-I328 HydrophobicContact CB-CD1 4Å; L317-I328 HydrophobicContact CD1-CD1 3.83Å; L317-I328 HydrophobicContact CG-CD1 4.48Å
318	K	89.8	Confident	86.6	Confident	132 Å²	132	51.9 Å²	51.9	57%	0.574	26%	0.263	S	S	*	.	H	α-helix	trans	-65.7	-45.6	177	-171.4	-179.1	177.1	-174.6	0	111.6	Y314 G315 F316 H320 G321 C323	Y314-K318 PolarHBondContact O-N 2.94Å; G315-K318 WeakPolarHBondContact O-CB 3.47Å; G315-K318 PolarHBondContact O-N 3.22Å; G315-K318 VanDerWaalsContact O-N 3.15Å; F316-K318 VanDerWaalsContact C-N 3.28Å; F316-K318 PolarHBondContact O-N 3.06Å; K318-H320 PolarHBondContact O-N 2.85Å; K318-G321 PolarHBondContact O-N 3.48Å; K318-G321 VanDerWaalsContact O-N 3.12Å; K318-C323 HydrophobicContact CB-CB 4.5Å; K318-C323 HydrophobicContact CG-CB 4.38Å
319	E	87.2	Confident	87.3	Confident	93 Å²	93	49.8 Å²	49.8	44%	0.435	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-29.9	178.5	-72.6	176.8	177.6	0	0	113.3	G315 F316 G321 T590 L591	G315-E319 WeakPolarHBondContact O-CG 3.2Å; G315-E319 PolarHBondContact O-N 3.45Å; F316-E319 PolarHBondContact O-N 3.11Å; E319-G321 VanDerWaalsContact C-N 3.31Å; E319-T590 VanDerWaalsContact OE1-CB 3.24Å; E319-T590 WeakPolarHBondContact OE1-CB 3.17Å; E319-T590 PolarHBondContact OE1-OG1 2.92Å; E319-T590 PolarHBondContact OE2-OG1 3.45Å; E319-L591 VanDerWaalsContact OE1-CD2 3.23Å; E319-L591 WeakPolarHBondContact OE1-CD2 3.4Å; E319-L591 VanDerWaalsContact OE1-CG 3.26Å; E319-L591 WeakPolarHBondContact OE1-CG 3.29Å; E319-L591 WeakPolarHBondContact OE2-CD1 3.24Å; E319-L591 VanDerWaalsContact OE2-CG 3.29Å; E319-L591 WeakPolarHBondContact OE2-CG 3.26Å
320	H	86.9	Confident	87.6	Confident	71 Å²	71	51.5 Å²	51.5	33%	0.329	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	13.7	177.5	-66.8	71.5	0	0	0	113.2	F282 F316 L317 K318 F322	F282-H320 HydrophobicContact CE1-CB 4.17Å; F316-H320 AromaticContact CD1-ND1 3.71Å; F316-H320 AromaticContact CD2-CE1 3.83Å; F316-H320 AromaticContact CE1-CE1 3.48Å; F316-H320 VanDerWaalsContact CE1-CE1 3.48Å; F316-H320 WeakPolarHBondContact CE1-CE1 3.41Å; F316-H320 AromaticContact CE1-CG 3.99Å; F316-H320 AromaticContact CE1-ND1 3.5Å; F316-H320 AromaticContact CE1-NE2 3.89Å; F316-H320 AromaticContact CE2-CE1 3.28Å; F316-H320 WeakPolarHBondContact CE2-CE1 3.43Å; F316-H320 AromaticContact CE2-ND1 3.95Å; F316-H320 AromaticContact CE2-NE2 3.98Å; F316-H320 AromaticContact CZ-CE1 3.07Å; F316-H320 WeakPolarHBondContact CZ-CE1 3.26Å; F316-H320 AromaticContact CZ-ND1 3.62Å; F316-H320 AromaticContact CZ-NE2 3.42Å; F316-H320 WeakPolarHBondContact CZ-NE2 3.36Å; F316-H320 PolarHBondContact O-N 2.93Å; F316-H320 VanDerWaalsContact O-N 3.14Å; F316-H320 PolarHBondContact O-ND1 2.59Å; L317-H320 PolarHBondContact O-N 2.91Å; K318-H320 PolarHBondContact O-N 2.85Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 HydrophobicContact CB-CD2 4.32Å; H320-F322 PolarHBondContact O-N 3.34Å
321	G	86.2	Confident	87.8	Confident	18 Å²	18	51 Å²	51	19%	0.186	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	10.5	174.4	0	0	0	0	0	115.5	L317 K318 E319 C323 D324 R325	L317-G321 PolarHBondContact O-N 3.18Å; K318-G321 PolarHBondContact O-N 3.48Å; K318-G321 VanDerWaalsContact O-N 3.12Å; E319-G321 VanDerWaalsContact C-N 3.31Å; G321-C323 VanDerWaalsContact C-N 3.32Å; G321-C323 PolarHBondContact O-N 3.25Å; G321-D324 PolarHBondContact O-N 3.2Å; G321-R325 PolarHBondContact O-N 2.98Å
322	F	87.4	Confident	87.8	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-35.7	179.3	-87.7	-124.6	0	0	0	111.8	F282 F283 N284 L286 P287 L317 H320 D324 R325 L326 I328	F282-F322 HydrophobicContact CE1-CD2 4.1Å; F282-F322 HydrophobicContact CE1-CE1 4.48Å; F282-F322 AromaticContact CE1-CE2 3.53Å; F282-F322 HydrophobicContact CE1-CE2 3.53Å; F282-F322 AromaticContact CE1-CZ 3.74Å; F282-F322 HydrophobicContact CE1-CZ 3.74Å; F282-F322 HydrophobicContact CE2-CD1 4.07Å; F282-F322 AromaticContact CE2-CE1 3.57Å; F282-F322 HydrophobicContact CE2-CE1 3.57Å; F282-F322 HydrophobicContact CE2-CE2 4.12Å; F282-F322 AromaticContact CE2-CZ 3.6Å; F282-F322 HydrophobicContact CE2-CZ 3.6Å; F282-F322 AromaticContact CZ-CD1 3.78Å; F282-F322 HydrophobicContact CZ-CD1 3.78Å; F282-F322 AromaticContact CZ-CD2 3.51Å; F282-F322 HydrophobicContact CZ-CD2 3.51Å; F282-F322 AromaticContact CZ-CE1 3.4Å; F282-F322 HydrophobicContact CZ-CE1 3.4Å; F282-F322 VanDerWaalsContact CZ-CE1 3.4Å; F282-F322 AromaticContact CZ-CE2 3.12Å; F282-F322 HydrophobicContact CZ-CE2 3.12Å; F282-F322 AromaticContact CZ-CG 3.82Å; F282-F322 HydrophobicContact CZ-CG 3.82Å; F282-F322 AromaticContact CZ-CZ 3.05Å; F282-F322 HydrophobicContact CZ-CZ 3.05Å; F283-F322 WeakPolarHBondContact O-CZ 3.44Å; N284-F322 VanDerWaalsContact O-CE2 3.26Å; N284-F322 WeakPolarHBondContact O-CE2 3.31Å; L286-F322 HydrophobicContact CB-CE1 4.01Å; L286-F322 HydrophobicContact CB-CZ 3.94Å; L286-F322 HydrophobicContact CD2-CE1 4.14Å; P287-F322 VanDerWaalsContact CD-CZ 3.44Å; P287-F322 HydrophobicContact CG-CD1 4.17Å; P287-F322 HydrophobicContact CG-CD2 4.09Å; P287-F322 HydrophobicContact CG-CE1 3.92Å; P287-F322 HydrophobicContact CG-CE2 3.81Å; P287-F322 HydrophobicContact CG-CG 4.25Å; P287-F322 HydrophobicContact CG-CZ 3.73Å; L317-F322 HydrophobicContact CB-CB 4.15Å; L317-F322 HydrophobicContact CD2-CB 4.3Å; L317-F322 HydrophobicContact CD2-CD1 4.01Å; L317-F322 HydrophobicContact CD2-CG 4.12Å; L317-F322 WeakPolarHBondContact O-CB 3.23Å; L317-F322 PolarHBondContact O-N 3.4Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 HydrophobicContact CB-CD2 4.32Å; H320-F322 PolarHBondContact O-N 3.34Å; F322-D324 PolarHBondContact O-N 3.45Å; F322-R325 PolarHBondContact O-N 3.4Å; F322-L326 HydrophobicContact CD1-CD1 3.7Å; F322-L326 HydrophobicContact CE1-CD1 4.17Å; F322-L326 HydrophobicContact CG-CD1 4.41Å; F322-L326 WeakPolarHBondContact O-CA 3.35Å; F322-L326 WeakPolarHBondContact O-CB 3.35Å; F322-L326 PolarHBondContact O-N 3.29Å; F322-I328 HydrophobicContact CB-CD1 4.32Å
323	C	86.4	Confident	87.7	Confident	33 Å²	33	47.2 Å²	47.2	22%	0.223	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-24.2	178.6	-64.8	0	0	0	0	112.6	K318 G321	K318-C323 HydrophobicContact CB-CB 4.5Å; K318-C323 HydrophobicContact CG-CB 4.38Å; G321-C323 VanDerWaalsContact C-N 3.32Å; G321-C323 PolarHBondContact O-N 3.25Å
324	D	88.1	Confident	87.3	Confident	129 Å²	129	47.2 Å²	47.2	69%	0.69	24%	0.236	S	C	*	.	H	α-helix	trans	-83.1	-30.8	-179.2	-54.6	-35	0	0	0	111.3	G321 F322	G321-D324 PolarHBondContact O-N 3.2Å; F322-D324 PolarHBondContact O-N 3.45Å
325	R	89.4	Confident	86.6	Confident	72 Å²	72	42.3 Å²	42.3	27%	0.272	22%	0.217	S	C	.	.	H	α-helix	trans	-99.7	-23	-176.6	-59.6	-176.2	70.7	-165.9	0.8	113.9	P287 D288 E292 N293 G321 F322	P287-R325 HydrophobicContact CB-CB 4.18Å; D288-R325 IonicContact OD1-CZ 3.92Å; D288-R325 IonicContact OD1-NH1 2.79Å; D288-R325 PolarHBondContact OD1-NH1 3.13Å; D288-R325 IonicContact OD1-NH2 3.78Å; D288-R325 PolarHBondContact OD1-NH2 3.1Å; D288-R325 IonicContact OD2-NH1 3.57Å; E292-R325 CarbonylContact C-O 3.59Å; E292-R325 WeakPolarHBondContact CA-O 3.12Å; E292-R325 IonicContact OE1-CZ 2.65Å; E292-R325 IonicContact OE1-NE 3.73Å; E292-R325 PolarHBondContact OE1-NE 2.89Å; E292-R325 VanDerWaalsContact OE1-NE 3.17Å; E292-R325 IonicContact OE1-NH2 3.71Å; E292-R325 PolarHBondContact OE1-NH2 2.95Å; E292-R325 VanDerWaalsContact OE1-NH2 3.12Å; N293-R325 PolarHBondContact N-O 2.99Å; G321-R325 PolarHBondContact O-N 2.98Å; F322-R325 PolarHBondContact O-N 3.4Å
326	L	88.2	Confident	85.7	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-131.2	146.1	-173.7	-57.3	169.9	0	0	0	111.3	P287 I290 G291 K294 V296 F322 I328	P287-L326 HydrophobicContact CB-CD1 4.14Å; P287-L326 HydrophobicContact CB-CD2 4.43Å; P287-L326 HydrophobicContact CB-CG 4.24Å; P287-L326 HydrophobicContact CG-CD1 3.91Å; P287-L326 HydrophobicContact CG-CG 4.42Å; I290-L326 HydrophobicContact CD1-CD1 3.71Å; I290-L326 HydrophobicContact CD1-CD2 3.56Å; I290-L326 HydrophobicContact CD1-CG 4.3Å; I290-L326 HydrophobicContact CG1-CD2 4.03Å; G291-L326 WeakPolarHBondContact O-CD2 3.29Å; K294-L326 HydrophobicContact CB-CD2 4.18Å; V296-L326 HydrophobicContact CG2-CB 4.07Å; V296-L326 HydrophobicContact CG2-CD1 4.14Å; V296-L326 HydrophobicContact CG2-CD2 4.45Å; V296-L326 HydrophobicContact CG2-CG 4.46Å; F322-L326 HydrophobicContact CD1-CD1 3.7Å; F322-L326 HydrophobicContact CE1-CD1 4.17Å; F322-L326 HydrophobicContact CG-CD1 4.41Å; F322-L326 WeakPolarHBondContact O-CA 3.35Å; F322-L326 WeakPolarHBondContact O-CB 3.35Å; F322-L326 PolarHBondContact O-N 3.29Å; L326-I328 PolarHBondContact O-N 2.81Å
327	N	88.5	Confident	84.5	Confident	87 Å²	87	44.2 Å²	44.2	47%	0.465	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	89.8	175.8	-175.8	1.1	0	0	0	110.2	K294 V296 I329	K294-N327 PolarHBondContact O-N 2.81Å; V296-N327 PolarHBondContact N-O 3.01Å; N327-I329 PolarHBondContact O-N 2.81Å; N327-I329 VanDerWaalsContact O-N 3.11Å
328	I	88.7	Confident	83.4	Confident	26 Å²	26	46.7 Å²	46.7	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	102.5	174.9	-61.6	167.1	0	0	0	109.1	V296 V298 Y314 L317 F322 L326	V296-I328 CarbonylContact O-C 3.28Å; V296-I328 WeakPolarHBondContact O-CA 3.5Å; V298-I328 HydrophobicContact CG2-CG2 4.13Å; Y314-I328 HydrophobicContact CD2-CG2 4.26Å; Y314-I328 HydrophobicContact CE2-CB 4.45Å; Y314-I328 HydrophobicContact CE2-CG2 4.21Å; L317-I328 HydrophobicContact CB-CD1 4Å; L317-I328 HydrophobicContact CD1-CD1 3.83Å; L317-I328 HydrophobicContact CG-CD1 4.48Å; F322-I328 HydrophobicContact CB-CD1 4.32Å; L326-I328 PolarHBondContact O-N 2.81Å
329	I	86.8	Confident	82.4	Confident	39 Å²	39	41 Å²	41	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-38.5	-177.4	-65	177.5	0	0	0	111.3	L268 V296 I297 N327 F348 K352 W353	L268-I329 HydrophobicContact CD1-CD1 4.18Å; V296-I329 PolarHBondContact O-N 2.86Å; I297-I329 HydrophobicContact CG1-CB 4.27Å; N327-I329 PolarHBondContact O-N 2.81Å; N327-I329 VanDerWaalsContact O-N 3.11Å; I329-F348 HydrophobicContact CG2-CE1 4.12Å; I329-F348 HydrophobicContact CG2-CZ 3.89Å; I329-K352 HydrophobicContact CG2-CD 4.09Å; I329-W353 HydrophobicContact CD1-CZ2 4.22Å
330	L	88.2	Confident	81.8	Confident	37 Å²	37	42.7 Å²	42.7	19%	0.194	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	136.6	-167.4	177	66.9	0	0	0	110.6	I297 V298 K332 F348	I297-L330 WeakPolarHBondContact CA-O 3.43Å; I297-L330 HydrophobicContact CG1-CB 4.48Å; I297-L330 HydrophobicContact CG2-CB 4.43Å; I297-L330 HydrophobicContact CG2-CD2 4.5Å; V298-L330 PolarHBondContact N-O 2.87Å; L330-K332 HydrophobicContact CD1-CD 4.47Å; L330-K332 HydrophobicContact CD1-CG 3.92Å; L330-K332 HydrophobicContact CD2-CD 3.64Å; L330-K332 VanDerWaalsContact CD2-CE 3.48Å; L330-K332 HydrophobicContact CD2-CG 3.74Å; L330-K332 HydrophobicContact CG-CB 4.5Å; L330-K332 HydrophobicContact CG-CD 4.28Å; L330-K332 HydrophobicContact CG-CG 3.8Å; L330-F348 HydrophobicContact CB-CE1 4.14Å; L330-F348 HydrophobicContact CB-CZ 3.96Å; L330-F348 HydrophobicContact CD2-CD1 3.67Å; L330-F348 HydrophobicContact CD2-CD2 4.08Å; L330-F348 HydrophobicContact CD2-CE1 3.38Å; L330-F348 HydrophobicContact CD2-CE2 3.8Å; L330-F348 HydrophobicContact CD2-CG 3.99Å; L330-F348 HydrophobicContact CD2-CZ 3.42Å; L330-F348 VanDerWaalsContact CD2-CZ 3.42Å; L330-F348 HydrophobicContact CG-CE1 4.42Å; L330-F348 HydrophobicContact CG-CZ 4.23Å
331	T	88	Confident	81.2	Confident	21 Å²	21	40 Å²	40	13%	0.129	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.3	163.8	-53.5	0	0	0	0	108.1	V298 V300 C310 V313	V298-T331 HydrophobicContact CB-CG2 4.14Å; V298-T331 HydrophobicContact CG1-CG2 4.16Å; V298-T331 CarbonylContact O-C 3.6Å; V298-T331 VanDerWaalsContact O-CA 3.31Å; V298-T331 WeakPolarHBondContact O-CA 3.25Å; V300-T331 HydrophobicContact CG2-CG2 4.11Å; C310-T331 HydrophobicContact CB-CG2 4.06Å; V313-T331 HydrophobicContact CB-CG2 4.48Å; V313-T331 HydrophobicContact CG1-CG2 4.3Å
332	K	84.8	Confident	80.7	Confident	58 Å²	58	39.3 Å²	39.3	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	149	177.1	-89.8	-168.9	-174.2	-179.6	0	111.7	V298 L299 V300 L330	V298-K332 PolarHBondContact O-N 2.94Å; L299-K332 CarbonylContact C-O 3.46Å; L299-K332 WeakPolarHBondContact CA-O 3.41Å; L299-K332 HydrophobicContact CD2-CB 4.24Å; V300-K332 PolarHBondContact N-O 3.43Å; L330-K332 HydrophobicContact CD1-CD 4.47Å; L330-K332 HydrophobicContact CD1-CG 3.92Å; L330-K332 HydrophobicContact CD2-CD 3.64Å; L330-K332 VanDerWaalsContact CD2-CE 3.48Å; L330-K332 HydrophobicContact CD2-CG 3.74Å; L330-K332 HydrophobicContact CG-CB 4.5Å; L330-K332 HydrophobicContact CG-CD 4.28Å; L330-K332 HydrophobicContact CG-CG 3.8Å
333	V	84.5	Confident	80	Confident	29 Å²	29	45.6 Å²	45.6	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	138	171.6	-166.9	0	0	0	0	109.5	V300 V303 C310 W340	V300-V333 WeakPolarHBondContact O-CA 3.49Å; V303-V333 HydrophobicContact CB-CG1 3.14Å; V303-V333 HydrophobicContact CG1-CG1 3.61Å; V303-V333 HydrophobicContact CG2-CG1 3.3Å; C310-V333 WeakPolarHBondContact SG-CG2 3.07Å; V333-W340 HydrophobicContact CB-CZ3 4.05Å; V333-W340 HydrophobicContact CG1-CZ3 4.18Å; V333-W340 WeakPolarHBondContact O-CZ3 3.49Å
334	I	78.8	Confident	79.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	C	.	.			trans	-137.3	159.2	170.8	62.5	165.2	0	0	0	110.4	F6 L272 L299 V300 N301 K302 W340	F6-I334 HydrophobicContact CE1-CD1 4.14Å; L272-I334 HydrophobicContact CD1-CD1 3.89Å; L299-I334 HydrophobicContact CB-CD1 4.16Å; L299-I334 HydrophobicContact CB-CG1 4.33Å; L299-I334 HydrophobicContact CD1-CD1 4.05Å; L299-I334 HydrophobicContact CD2-CG2 4.45Å; V300-I334 PolarHBondContact O-N 3.46Å; V300-I334 VanDerWaalsContact O-O 3.11Å; N301-I334 CarbonylContact C-O 3.56Å; N301-I334 WeakPolarHBondContact CA-O 3.36Å; K302-I334 PolarHBondContact N-O 3.28Å; I334-W340 WeakPolarHBondContact CA-O 2.75Å
335	S	73.7	Confident	79.1	Confident	2 Å²	2	43 Å²	43	1%	0.014	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-121.8	102.6	162.5	167	0	0	0	0	107.5	K337 T338 G339 W340	S335-K337 PolarHBondContact O-N 2.83Å; S335-T338 WeakPolarHBondContact CB-OG1 3.09Å; S335-T338 PolarHBondContact O-N 3.33Å; S335-T338 PolarHBondContact OG-N 2.81Å; S335-T338 PolarHBondContact OG-OG1 2.84Å; S335-G339 CarbonylContact O-C 3.6Å; S335-G339 VanDerWaalsContact O-CA 3.27Å; S335-G339 WeakPolarHBondContact O-CA 3.23Å; S335-G339 PolarHBondContact O-N 2.82Å; S335-W340 PolarHBondContact N-O 3.46Å; S335-W340 PolarHBondContact O-N 2.82Å
336	A	71	Confident	78.3	Confident	14 Å²	14	40.5 Å²	40.5	12%	0.116	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.3	177.9	0	0	0	0	0	111.7	C9 N301	C9-A336 WeakPolarHBondContact CB-O 3.35Å; N301-A336 WeakPolarHBondContact OD1-CB 3.19Å; N301-A336 PolarHBondContact OD1-N 2.79Å
337	K	64	Low	77.7	Confident	55 Å²	55	43 Å²	43	24%	0.239	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-37.9	-179.7	178.4	148	153.4	-168.3	0	113.2	S335 F649 S650 T652	S335-K337 PolarHBondContact O-N 2.83Å; K337-F649 HydrophobicContact CB-CB 4.05Å; K337-F649 HydrophobicContact CD-CB 3.58Å; K337-F649 HydrophobicContact CD-CD1 4.46Å; K337-F649 HydrophobicContact CD-CG 4.32Å; K337-F649 HydrophobicContact CG-CB 3.8Å; K337-F649 HydrophobicContact CG-CG 4.26Å; K337-S650 PolarHBondContact NZ-O 3.43Å; K337-T652 PolarHBondContact NZ-OG1 3.33Å
338	T	65.5	Low	77.3	Confident	54 Å²	54	40.7 Å²	40.7	33%	0.331	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.8	178	61.3	0	0	0	0	113.2	S335 W340 F649	S335-T338 WeakPolarHBondContact CB-OG1 3.09Å; S335-T338 PolarHBondContact O-N 3.33Å; S335-T338 PolarHBondContact OG-N 2.81Å; S335-T338 PolarHBondContact OG-OG1 2.84Å; T338-W340 PolarHBondContact O-N 2.79Å; T338-W340 WeakPolarHBondContact OG1-CB 2.84Å; T338-W340 PolarHBondContact OG1-N 2.66Å; T338-F649 HydrophobicContact CG2-CD2 3.44Å; T338-F649 VanDerWaalsContact CG2-CD2 3.44Å; T338-F649 HydrophobicContact CG2-CE2 3.37Å; T338-F649 HydrophobicContact CG2-CG 4.19Å; T338-F649 HydrophobicContact CG2-CZ 4.04Å
339	G	68.2	Low	76.7	Confident	13 Å²	13	39.7 Å²	39.7	13%	0.134	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	11.8	-168.4	0	0	0	0	0	114.6	L10 S335 G341 V342	L10-G339 VanDerWaalsContact CD1-CA 3.49Å; S335-G339 CarbonylContact O-C 3.6Å; S335-G339 VanDerWaalsContact O-CA 3.27Å; S335-G339 WeakPolarHBondContact O-CA 3.23Å; S335-G339 PolarHBondContact O-N 2.82Å; G339-G341 PolarHBondContact O-N 2.85Å; G339-V342 VanDerWaalsContact O-CB 3.3Å; G339-V342 WeakPolarHBondContact O-CB 2.97Å; G339-V342 PolarHBondContact O-N 2.81Å
340	W	74.8	Confident	76.1	Confident	127 Å²	127	40.5 Å²	40.5	48%	0.481	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-65.3	136.7	178.5	-174.3	92.4	0	0	0	110.9	F306 V333 I334 S335 T338 V342	F306-W340 HydrophobicContact CE2-CZ2 4.14Å; F306-W340 HydrophobicContact CZ-CH2 4.2Å; F306-W340 AromaticContact CZ-CZ2 3.79Å; F306-W340 HydrophobicContact CZ-CZ2 3.79Å; V333-W340 HydrophobicContact CB-CZ3 4.05Å; V333-W340 HydrophobicContact CG1-CZ3 4.18Å; V333-W340 WeakPolarHBondContact O-CZ3 3.49Å; I334-W340 WeakPolarHBondContact CA-O 2.75Å; S335-W340 PolarHBondContact N-O 3.46Å; S335-W340 PolarHBondContact O-N 2.82Å; T338-W340 PolarHBondContact O-N 2.79Å; T338-W340 WeakPolarHBondContact OG1-CB 2.84Å; T338-W340 PolarHBondContact OG1-N 2.66Å; W340-V342 PolarHBondContact O-N 2.85Å; W340-V342 VanDerWaalsContact O-N 3.16Å
341	G	75.3	Confident	75.4	Confident	14 Å²	14	48.2 Å²	48.2	14%	0.144	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-14.1	-179.8	0	0	0	0	0	115.4	G339 N344 L345	G339-G341 PolarHBondContact O-N 2.85Å; G341-N344 PolarHBondContact O-N 3.01Å; G341-L345 PolarHBondContact O-N 2.71Å
342	V	75.8	Confident	74.7	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.024	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-49.4	-178	161.6	0	0	0	0	112.6	F6 G339 W340 N344 L345 I346	F6-V342 HydrophobicContact CB-CB 4.04Å; F6-V342 HydrophobicContact CB-CG1 3.16Å; F6-V342 HydrophobicContact CB-CG2 3.77Å; F6-V342 HydrophobicContact CD1-CB 4.39Å; F6-V342 HydrophobicContact CD1-CG1 4.05Å; F6-V342 HydrophobicContact CD1-CG2 3.52Å; F6-V342 HydrophobicContact CD2-CB 4.45Å; F6-V342 HydrophobicContact CD2-CG1 3.4Å; F6-V342 VanDerWaalsContact CD2-CG1 3.4Å; F6-V342 HydrophobicContact CD2-CG2 4.41Å; F6-V342 HydrophobicContact CE1-CG2 4.16Å; F6-V342 HydrophobicContact CE2-CG1 4.24Å; F6-V342 HydrophobicContact CG-CB 4.08Å; F6-V342 HydrophobicContact CG-CG1 3.28Å; F6-V342 HydrophobicContact CG-CG2 3.67Å; G339-V342 VanDerWaalsContact O-CB 3.3Å; G339-V342 WeakPolarHBondContact O-CB 2.97Å; G339-V342 PolarHBondContact O-N 2.81Å; W340-V342 PolarHBondContact O-N 2.85Å; W340-V342 VanDerWaalsContact O-N 3.16Å; V342-N344 PolarHBondContact O-N 3.18Å; V342-L345 WeakPolarHBondContact O-CA 3.11Å; V342-L345 VanDerWaalsContact O-CB 3.32Å; V342-L345 WeakPolarHBondContact O-CB 2.91Å; V342-L345 PolarHBondContact O-N 2.66Å; V342-I346 HydrophobicContact CG1-CD1 3.68Å; V342-I346 HydrophobicContact CG1-CG1 4.37Å; V342-I346 VanDerWaalsContact O-CG1 3.29Å; V342-I346 WeakPolarHBondContact O-CG1 3.48Å; V342-I346 PolarHBondContact O-N 3.06Å
343	E	70.8	Confident	73.9	Confident	137 Å²	137	50 Å²	50	64%	0.64	24%	0.24	S	C	*	.	H	α-helix	trans	-63.3	-37.6	-176.8	-62.6	-173	159.6	0	0	111.3	L345 I346 T347	E343-L345 VanDerWaalsContact C-N 3.33Å; E343-I346 PolarHBondContact O-N 3.36Å; E343-T347 WeakPolarHBondContact O-CB 3.43Å; E343-T347 PolarHBondContact O-N 3.07Å; E343-T347 PolarHBondContact O-OG1 2.74Å
344	N	75	Confident	72.7	Confident	108 Å²	108	50 Å²	50	58%	0.578	24%	0.244	S	C	*	.	H	α-helix	trans	-66.4	-35.7	174.7	-69.8	-19.3	0	0	0	111.9	G341 V342 F348	G341-N344 PolarHBondContact O-N 3.01Å; V342-N344 PolarHBondContact O-N 3.18Å; N344-F348 VanDerWaalsContact O-CB 3.28Å; N344-F348 WeakPolarHBondContact O-CB 3.48Å; N344-F348 PolarHBondContact O-N 3.06Å
345	L	80.4	Confident	71.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-49	172.8	170.4	65.2	0	0	0	111.3	F6 I297 L299 G341 V342 E343 T347 F348 I349	F6-L345 HydrophobicContact CE2-CD2 4.31Å; F6-L345 HydrophobicContact CZ-CD2 3.86Å; I297-L345 HydrophobicContact CG2-CD1 4.24Å; L299-L345 HydrophobicContact CD1-CD1 4.5Å; L299-L345 HydrophobicContact CD1-CD2 3.36Å; L299-L345 HydrophobicContact CD2-CD1 3.7Å; L299-L345 HydrophobicContact CD2-CD2 3.76Å; L299-L345 HydrophobicContact CD2-CG 4.31Å; L299-L345 HydrophobicContact CG-CD2 4.22Å; G341-L345 PolarHBondContact O-N 2.71Å; V342-L345 WeakPolarHBondContact O-CA 3.11Å; V342-L345 VanDerWaalsContact O-CB 3.32Å; V342-L345 WeakPolarHBondContact O-CB 2.91Å; V342-L345 PolarHBondContact O-N 2.66Å; E343-L345 VanDerWaalsContact C-N 3.33Å; L345-T347 VanDerWaalsContact C-N 3.32Å; L345-T347 PolarHBondContact O-N 3Å; L345-F348 WeakPolarHBondContact O-CB 3.36Å; L345-F348 PolarHBondContact O-N 3.22Å; L345-F348 VanDerWaalsContact O-N 3.11Å; L345-I349 HydrophobicContact CD1-CD1 3.81Å; L345-I349 HydrophobicContact CD1-CG1 4.08Å; L345-I349 HydrophobicContact CG-CD1 3.86Å; L345-I349 HydrophobicContact CG-CG1 4.49Å; L345-I349 WeakPolarHBondContact O-CG1 3.22Å; L345-I349 PolarHBondContact O-N 3.24Å
346	I	74.3	Confident	70.7	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.097	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-48.3	179.2	-66.4	167	0	0	0	110	L2 A3 F6 V342 E343 F348 I349 H350	L2-I346 VanDerWaalsContact C-CD1 3.43Å; L2-I346 HydrophobicContact CB-CD1 3.63Å; L2-I346 HydrophobicContact CB-CG1 3.75Å; L2-I346 HydrophobicContact CB-CG2 3.99Å; L2-I346 HydrophobicContact CD1-CG1 4.31Å; L2-I346 HydrophobicContact CD1-CG2 3.96Å; A3-I346 HydrophobicContact CB-CD1 4.08Å; A3-I346 VanDerWaalsContact N-CD1 3.3Å; F6-I346 HydrophobicContact CD2-CD1 4.12Å; F6-I346 HydrophobicContact CD2-CG1 4.41Å; F6-I346 HydrophobicContact CE2-CG1 4.41Å; V342-I346 HydrophobicContact CG1-CD1 3.68Å; V342-I346 HydrophobicContact CG1-CG1 4.37Å; V342-I346 VanDerWaalsContact O-CG1 3.29Å; V342-I346 WeakPolarHBondContact O-CG1 3.48Å; V342-I346 PolarHBondContact O-N 3.06Å; E343-I346 PolarHBondContact O-N 3.36Å; I346-F348 VanDerWaalsContact C-N 3.26Å; I346-F348 PolarHBondContact O-N 3.4Å; I346-I349 PolarHBondContact O-N 3.34Å; I346-H350 PolarHBondContact O-CD2 3.36Å; I346-H350 VanDerWaalsContact O-CD2 3.27Å; I346-H350 PolarHBondContact O-N 2.75Å
347	T	74.2	Confident	69.4	Low	59 Å²	59	64.4 Å²	64.4	36%	0.362	32%	0.317	S	S	.	.	H	α-helix	trans	-58.8	-40.6	177	-58.3	0	0	0	0	111.3	E343 L345 R351	E343-T347 WeakPolarHBondContact O-CB 3.43Å; E343-T347 PolarHBondContact O-N 3.07Å; E343-T347 PolarHBondContact O-OG1 2.74Å; L345-T347 VanDerWaalsContact C-N 3.32Å; L345-T347 PolarHBondContact O-N 3Å; T347-R351 WeakPolarHBondContact O-CB 3.27Å; T347-R351 VanDerWaalsContact O-CG 3.27Å; T347-R351 WeakPolarHBondContact O-CG 3.45Å; T347-R351 PolarHBondContact O-N 3.41Å
348	F	80.6	Confident	68.1	Low	38 Å²	38	68.8 Å²	68.8	17%	0.167	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-45.6	176.5	178.2	-91.5	0	0	0	112.6	I297 I329 L330 N344 L345 I346 R351 K352	I297-F348 HydrophobicContact CD1-CD1 4.06Å; I297-F348 HydrophobicContact CD1-CE1 3.76Å; I297-F348 HydrophobicContact CG1-CE1 4.43Å; I329-F348 HydrophobicContact CG2-CE1 4.12Å; I329-F348 HydrophobicContact CG2-CZ 3.89Å; L330-F348 HydrophobicContact CB-CE1 4.14Å; L330-F348 HydrophobicContact CB-CZ 3.96Å; L330-F348 HydrophobicContact CD2-CD1 3.67Å; L330-F348 HydrophobicContact CD2-CD2 4.08Å; L330-F348 HydrophobicContact CD2-CE1 3.38Å; L330-F348 HydrophobicContact CD2-CE2 3.8Å; L330-F348 HydrophobicContact CD2-CG 3.99Å; L330-F348 HydrophobicContact CD2-CZ 3.42Å; L330-F348 VanDerWaalsContact CD2-CZ 3.42Å; L330-F348 HydrophobicContact CG-CE1 4.42Å; L330-F348 HydrophobicContact CG-CZ 4.23Å; N344-F348 VanDerWaalsContact O-CB 3.28Å; N344-F348 WeakPolarHBondContact O-CB 3.48Å; N344-F348 PolarHBondContact O-N 3.06Å; L345-F348 WeakPolarHBondContact O-CB 3.36Å; L345-F348 PolarHBondContact O-N 3.22Å; L345-F348 VanDerWaalsContact O-N 3.11Å; I346-F348 VanDerWaalsContact C-N 3.26Å; I346-F348 PolarHBondContact O-N 3.4Å; F348-R351 PolarHBondContact O-N 2.77Å; F348-K352 HydrophobicContact CE1-CD 3.89Å; F348-K352 HydrophobicContact CE1-CG 4.44Å; F348-K352 HydrophobicContact CE2-CD 3.88Å; F348-K352 VanDerWaalsContact CE2-CE 3.46Å; F348-K352 HydrophobicContact CE2-CG 4.3Å; F348-K352 HydrophobicContact CZ-CD 3.43Å; F348-K352 VanDerWaalsContact CZ-CD 3.43Å; F348-K352 HydrophobicContact CZ-CG 4.19Å; F348-K352 PolarHBondContact O-N 2.77Å
349	I	76.7	Confident	66.9	Low	6 Å²	6	69 Å²	69	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-50.8	177.2	-69.7	168.8	0	0	0	109.5	L268 I270 I297 L345 I346 R351 K352 W353 I362	L268-I349 HydrophobicContact CD2-CG1 4.32Å; L268-I349 HydrophobicContact CD2-CG2 4.26Å; I270-I349 HydrophobicContact CD1-CD1 3.72Å; I297-I349 HydrophobicContact CD1-CG1 4.2Å; L345-I349 HydrophobicContact CD1-CD1 3.81Å; L345-I349 HydrophobicContact CD1-CG1 4.08Å; L345-I349 HydrophobicContact CG-CD1 3.86Å; L345-I349 HydrophobicContact CG-CG1 4.49Å; L345-I349 WeakPolarHBondContact O-CG1 3.22Å; L345-I349 PolarHBondContact O-N 3.24Å; I346-I349 PolarHBondContact O-N 3.34Å; I349-R351 PolarHBondContact O-N 2.98Å; I349-K352 PolarHBondContact O-N 2.55Å; I349-W353 WeakPolarHBondContact O-CA 3.36Å; I349-W353 VanDerWaalsContact O-CB 3.3Å; I349-W353 WeakPolarHBondContact O-CB 3.39Å; I349-W353 PolarHBondContact O-N 3.28Å; I349-I362 HydrophobicContact CG2-CD1 3.41Å; I349-I362 VanDerWaalsContact CG2-CD1 3.41Å
350	H	72.9	Confident	65.8	Low	56 Å²	56	68.6 Å²	68.6	26%	0.259	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-45.3	177.8	-81.7	-77.9	0	0	0	111.7	I346 K352 A354	I346-H350 PolarHBondContact O-CD2 3.36Å; I346-H350 VanDerWaalsContact O-CD2 3.27Å; I346-H350 PolarHBondContact O-N 2.75Å; H350-K352 PolarHBondContact O-N 3.12Å; H350-A354 WeakPolarHBondContact O-CB 2.88Å; H350-A354 PolarHBondContact O-N 3.29Å
351	R	73.9	Confident	64.7	Low	199 Å²	199	67.4 Å²	67.4	75%	0.751	34%	0.34	S	S	*	.	H	α-helix	trans	-64.6	-40.2	-179.9	-74.6	177.1	-179.9	175.8	1.9	113.8	T347 F348 I349	T347-R351 WeakPolarHBondContact O-CB 3.27Å; T347-R351 VanDerWaalsContact O-CG 3.27Å; T347-R351 WeakPolarHBondContact O-CG 3.45Å; T347-R351 PolarHBondContact O-N 3.41Å; F348-R351 PolarHBondContact O-N 2.77Å; I349-R351 PolarHBondContact O-N 2.98Å
352	K	72.9	Confident	63.7	Low	103 Å²	103	67 Å²	67	45%	0.448	33%	0.334	S	S	.	.	H	α-helix	trans	-85.9	-33.1	-177.5	-78.7	-155	178.3	-176.2	0	113.8	I329 F348 I349 H350	I329-K352 HydrophobicContact CG2-CD 4.09Å; F348-K352 HydrophobicContact CE1-CD 3.89Å; F348-K352 HydrophobicContact CE1-CG 4.44Å; F348-K352 HydrophobicContact CE2-CD 3.88Å; F348-K352 VanDerWaalsContact CE2-CE 3.46Å; F348-K352 HydrophobicContact CE2-CG 4.3Å; F348-K352 HydrophobicContact CZ-CD 3.43Å; F348-K352 VanDerWaalsContact CZ-CD 3.43Å; F348-K352 HydrophobicContact CZ-CG 4.19Å; F348-K352 PolarHBondContact O-N 2.77Å; I349-K352 PolarHBondContact O-N 2.55Å; H350-K352 PolarHBondContact O-N 3.12Å
353	W	67.8	Low	62.6	Low	13 Å²	13	66.9 Å²	66.9	5%	0.049	33%	0.333	C	S	.	.	H	α-helix	trans	-114.4	-16	-168.6	-79.3	84.7	0	0	0	114.9	L268 S295 I329 I349 N355 R356 A360 K465	L268-W353 HydrophobicContact CB-CD2 3.86Å; L268-W353 HydrophobicContact CB-CE3 4.02Å; L268-W353 HydrophobicContact CB-CH2 3.85Å; L268-W353 HydrophobicContact CB-CZ2 3.72Å; L268-W353 HydrophobicContact CB-CZ3 4Å; L268-W353 HydrophobicContact CD1-CD2 4.49Å; L268-W353 HydrophobicContact CD1-CZ2 3.71Å; L268-W353 HydrophobicContact CD2-CD2 4.05Å; L268-W353 HydrophobicContact CD2-CG 3.88Å; L268-W353 HydrophobicContact CG-CD2 4.35Å; L268-W353 HydrophobicContact CG-CZ2 4.21Å; S295-W353 VanDerWaalsContact CB-CZ2 3.48Å; I329-W353 HydrophobicContact CD1-CZ2 4.22Å; I349-W353 WeakPolarHBondContact O-CA 3.36Å; I349-W353 VanDerWaalsContact O-CB 3.3Å; I349-W353 WeakPolarHBondContact O-CB 3.39Å; I349-W353 PolarHBondContact O-N 3.28Å; W353-N355 PolarHBondContact O-N 2.9Å; W353-R356 HydrophobicContact CE3-CB 4.37Å; W353-R356 PolarHBondContact O-N 3.19Å; W353-A360 HydrophobicContact CE3-CB 4.16Å; W353-K465 PolarHBondContact O-NZ 3.12Å
354	A	60.6	Low	61.8	Low	30 Å²	30	60.8 Å²	60.8	25%	0.248	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.2	175.1	0	0	0	0	0	111.7	H350 K465	H350-A354 WeakPolarHBondContact O-CB 2.88Å; H350-A354 PolarHBondContact O-N 3.29Å; A354-K465 PolarHBondContact O-NZ 2.63Å
355	N	53.8	Low	60.7	Low	149 Å²	149	55.7 Å²	55.7	80%	0.797	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.1	-177.7	-65.3	-8.1	0	0	0	114.5	W353 G357	W353-N355 PolarHBondContact O-N 2.9Å; N355-G357 PolarHBondContact O-N 2.71Å
356	R	55.7	Low	59.1	Low	131 Å²	131	56.1 Å²	56.1	49%	0.494	28%	0.281	S	S	.	.	S	Bend	trans	-87.2	107.5	174.4	-69.9	-169.7	176.5	-169.7	-3.6	108.7	W353 A360 K465	W353-R356 HydrophobicContact CE3-CB 4.37Å; W353-R356 PolarHBondContact O-N 3.19Å; R356-A360 WeakPolarHBondContact O-CB 3.02Å; R356-K465 PolarHBondContact O-NZ 3.47Å
357	G	45.2	Very low	57.7	Low	37 Å²	37	55.4 Å²	55.4	38%	0.381	28%	0.278	S	S	.	.			trans	53.8	166.2	155.5	0	0	0	0	0	119	N355 A359 K465	N355-G357 PolarHBondContact O-N 2.71Å; G357-A359 PolarHBondContact O-N 3.11Å; G357-K465 VanDerWaalsContact O-CE 3.26Å; G357-K465 WeakPolarHBondContact O-CE 3.36Å; G357-K465 PolarHBondContact O-NZ 2.97Å; G357-K465 VanDerWaalsContact O-NZ 3.09Å
358	I	36.4	Very low	55.9	Low	147 Å²	147	53 Å²	53	75%	0.754	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.4	178.5	-63.8	165.9	0	0	0	110.9
359	A	39.9	Very low	53.8	Low	59 Å²	59	54.1 Å²	54.1	49%	0.488	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	14.4	-172.7	0	0	0	0	0	115.2	G357 R361	G357-A359 PolarHBondContact O-N 3.11Å; A359-R361 PolarHBondContact O-N 2.81Å
360	A	44.6	Very low	51.7	Low	4 Å²	4	55 Å²	55	3%	0.033	27%	0.27	C	S	.	.			trans	-64.7	101.1	-179.8	0	0	0	0	0	111.5	W353 R356 K465	W353-A360 HydrophobicContact CE3-CB 4.16Å; R356-A360 WeakPolarHBondContact O-CB 3.02Å; A360-K465 HydrophobicContact CB-CD 4.27Å
361	R	52.4	Low	49.8	Very low	102 Å²	102	54.5 Å²	54.5	39%	0.385	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.6	170.7	-63.6	-177.6	172.7	173.9	0.3	108.6	E266 V267 L268 A359 Y468	E266-R361 PolarHBondContact O-N 3.08Å; V267-R361 WeakPolarHBondContact CA-O 2.82Å; V267-R361 HydrophobicContact CG2-CB 4.27Å; L268-R361 PolarHBondContact N-O 3.44Å; A359-R361 PolarHBondContact O-N 2.81Å; R361-Y468 HydrophobicContact CB-CD2 4.17Å; R361-Y468 HydrophobicContact CB-CE2 3.78Å; R361-Y468 HydrophobicContact CG-CE2 3.69Å
362	I	54.1	Low	47.7	Very low	5 Å²	5	49.7 Å²	49.7	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.4	173.3	-55.4	-171.9	0	0	0	106.9	L268 I270 I349 L394 W466 F467 Y468	L268-I362 HydrophobicContact CB-CG1 4.25Å; L268-I362 HydrophobicContact CD2-CD1 4.17Å; L268-I362 HydrophobicContact CD2-CG1 4.3Å; L268-I362 HydrophobicContact CD2-CG2 4.31Å; L268-I362 HydrophobicContact CG-CG2 4.48Å; L268-I362 CarbonylContact O-C 3.56Å; L268-I362 WeakPolarHBondContact O-CA 3.43Å; I270-I362 HydrophobicContact CD1-CG2 3.45Å; I270-I362 VanDerWaalsContact CD1-CG2 3.45Å; I270-I362 HydrophobicContact CG1-CG2 3.89Å; I349-I362 HydrophobicContact CG2-CD1 3.41Å; I349-I362 VanDerWaalsContact CG2-CD1 3.41Å; I362-L394 HydrophobicContact CB-CD1 4.23Å; I362-L394 HydrophobicContact CD1-CD1 3.38Å; I362-L394 HydrophobicContact CD1-CD2 4.42Å; I362-L394 HydrophobicContact CG1-CD1 3.65Å; I362-W466 PolarHBondContact N-O 3.31Å; I362-F467 HydrophobicContact CB-CD2 3.73Å; I362-F467 HydrophobicContact CB-CE2 4.3Å; I362-F467 HydrophobicContact CB-CG 4.45Å; I362-F467 HydrophobicContact CG2-CD2 3.45Å; I362-F467 VanDerWaalsContact CG2-CD2 3.45Å; I362-F467 HydrophobicContact CG2-CE2 3.51Å; I362-F467 HydrophobicContact CG2-CG 4.46Å; I362-F467 CarbonylContact O-C 3.57Å; I362-F467 VanDerWaalsContact O-CA 3.22Å; I362-F467 WeakPolarHBondContact O-CA 3.26Å; I362-Y468 PolarHBondContact O-N 3.47Å
363	S	51.7	Low	45.8	Very low	2 Å²	2	47.1 Å²	47.1	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.6	176.9	-61.8	0	0	0	0	109.8	L268 I270 Y468	L268-S363 PolarHBondContact O-N 3.21Å; I270-S363 PolarHBondContact N-O 3.32Å; S363-Y468 CarbonylContact C-O 3.54Å; S363-Y468 WeakPolarHBondContact CA-O 3.1Å
364	L	54.6	Low	44	Very low	10 Å²	10	48.2 Å²	48.2	5%	0.052	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.9	173.1	-161.5	124	0	0	0	109.1	I270 F467 Y468 T470	I270-L364 HydrophobicContact CB-CD1 4.17Å; I270-L364 HydrophobicContact CB-CG 4.38Å; I270-L364 HydrophobicContact CG2-CD1 3.74Å; I270-L364 HydrophobicContact CG2-CG 4.26Å; I270-L364 WeakPolarHBondContact O-CA 3.41Å; L364-F467 HydrophobicContact CB-CE1 3.61Å; L364-F467 HydrophobicContact CB-CZ 3.65Å; L364-F467 HydrophobicContact CD1-CE1 4.09Å; L364-F467 HydrophobicContact CD1-CZ 3.49Å; L364-F467 VanDerWaalsContact CD1-CZ 3.49Å; L364-F467 HydrophobicContact CG-CE1 4.42Å; L364-F467 HydrophobicContact CG-CZ 4.18Å; L364-Y468 PolarHBondContact N-O 2.85Å; L364-T470 PolarHBondContact O-N 3.08Å; L364-T470 PolarHBondContact O-OG1 2.86Å
365	L	52.4	Low	42.6	Very low	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.8	174.8	-83.4	153.4	0	0	0	107.8	I258 L261 I269 I270 L271 L272 L286 I290 T470	I258-L365 HydrophobicContact CD1-CD2 3.58Å; I258-L365 HydrophobicContact CG1-CD2 4.39Å; L261-L365 HydrophobicContact CD1-CD1 4.05Å; I269-L365 HydrophobicContact CD1-CD1 4.46Å; I269-L365 HydrophobicContact CG1-CD1 4.38Å; I269-L365 HydrophobicContact CG2-CD1 3.51Å; I270-L365 PolarHBondContact O-N 3.25Å; L271-L365 WeakPolarHBondContact CA-O 3.32Å; L271-L365 HydrophobicContact CD1-CB 4.44Å; L272-L365 PolarHBondContact N-O 3.45Å; L286-L365 HydrophobicContact CD1-CD2 4.37Å; I290-L365 HydrophobicContact CG2-CD1 3.77Å; L365-T470 WeakPolarHBondContact CA-OG1 3.5Å; L365-T470 HydrophobicContact CD2-CG2 4.34Å; L365-T470 VanDerWaalsContact CD2-OG1 3.28Å; L365-T470 WeakPolarHBondContact CD2-OG1 3.31Å; L365-T470 HydrophobicContact CG-CG2 4.38Å
366	C	46.8	Very low	41.3	Very low	9 Å²	9	44.4 Å²	44.4	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.6	175.8	-163.7	0	0	0	0	109.9	T368 F370 V473	C366-T368 PolarHBondContact O-N 3.25Å; C366-T368 PolarHBondContact SG-O 2.86Å; C366-F370 PolarHBondContact SG-O 3.27Å; C366-F370 VanDerWaalsContact SG-O 3.41Å; C366-V473 PolarHBondContact O-N 2.88Å
367	S	44.4	Very low	40.1	Very low	4 Å²	4	46.3 Å²	46.3	3%	0.028	26%	0.256	C	S	.	.	S	Bend	trans	-82	-1.6	179.2	79.9	0	0	0	0	113.3	L272 S281	L272-S367 PolarHBondContact O-N 3.31Å; L272-S367 VanDerWaalsContact O-N 3.08Å; L272-S367 PolarHBondContact O-OG 2.9Å; S281-S367 VanDerWaalsContact O-CB 3.23Å; S281-S367 WeakPolarHBondContact O-CB 3.46Å; S281-S367 PolarHBondContact O-OG 3.04Å
368	T	36.6	Very low	39.1	Very low	8 Å²	8	49.2 Å²	49.2	5%	0.049	26%	0.259	C	S	.	.	S	Bend	trans	-129.5	156.7	179.7	45.8	0	0	0	0	111.6	D274 C366 F370	D274-T368 HydrophobicContact CB-CG2 3.39Å; C366-T368 PolarHBondContact O-N 3.25Å; C366-T368 PolarHBondContact SG-O 2.86Å; T368-F370 PolarHBondContact O-N 3.35Å
369	R	37.5	Very low	38.8	Very low	62 Å²	62	43.5 Å²	43.5	23%	0.234	23%	0.233	C	C	.	.	S	Bend	trans	-57.2	13.9	166.9	-75.9	-177.6	165	-177.9	-6.6	114.5	L480 Q481	R369-L480 HydrophobicContact CB-CD1 4.46Å; R369-L480 PolarHBondContact NH1-O 2.92Å; R369-Q481 VanDerWaalsContact NH2-CG 3.26Å
370	F	32.4	Very low	38.4	Very low	24 Å²	24	44.5 Å²	44.5	11%	0.105	22%	0.224	C	C	.	.			trans	-95.7	110.4	-173.3	-123.1	-93.4	0	0	0	111.4	K302 C366 T368 M492 N651	K302-F370 HydrophobicContact CD-CE1 4.37Å; K302-F370 HydrophobicContact CD-CZ 4.14Å; K302-F370 VanDerWaalsContact CE-CE2 3.48Å; C366-F370 PolarHBondContact SG-O 3.27Å; C366-F370 VanDerWaalsContact SG-O 3.41Å; T368-F370 PolarHBondContact O-N 3.35Å; F370-M492 HydrophobicContact CD2-CE 4.05Å; F370-M492 HydrophobicContact CE2-CE 3.4Å; F370-M492 HydrophobicContact CZ-CE 4.4Å; F370-N651 WeakPolarHBondContact CD1-OD1 3.44Å; F370-N651 WeakPolarHBondContact CD2-ND2 3.43Å; F370-N651 HydrophobicContact CE1-CB 4.01Å; F370-N651 WeakPolarHBondContact CE1-OD1 3.03Å; F370-N651 HydrophobicContact CE2-CB 3.75Å; F370-N651 WeakPolarHBondContact CE2-ND2 3.14Å; F370-N651 HydrophobicContact CZ-CB 3.23Å; F370-N651 WeakPolarHBondContact CZ-ND2 3.48Å; F370-N651 WeakPolarHBondContact CZ-OD1 3.38Å
371	S	33.2	Very low	37.5	Very low	46 Å²	46	47.5 Å²	47.5	32%	0.322	24%	0.236	S	C	.	.			trans	74.1	86	156.8	65.8	0	0	0	0	119.9	R373	S371-R373 PolarHBondContact O-N 3.39Å
372	N	29.5	Very low	36.3	Very low	98 Å²	98	48.2 Å²	48.2	52%	0.524	25%	0.247	S	C	.	.			trans	-70.7	42.8	137.9	-75.8	-12	0	0	0	111.2
373	R	32.9	Very low	34.8	Very low	49 Å²	49	50.7 Å²	50.7	19%	0.185	27%	0.268	C	S	.	.			trans	-93.8	8.4	-168.1	-72	179.5	72.7	-145	-54.3	116.2	L244 S371 T652 F653	L244-R373 HydrophobicContact CD1-CG 3.58Å; S371-R373 PolarHBondContact O-N 3.39Å; R373-T652 PolarHBondContact NH1-O 2.94Å; R373-F653 WeakPolarHBondContact CD-O 3.08Å; R373-F653 PolarHBondContact NE-O 3.4Å; R373-F653 PolarHBondContact NE-OXT 3.01Å; R373-F653 PolarHBondContact NH1-O 3.26Å
374	I	29.3	Very low	33.6	Very low	36 Å²	36	51.2 Å²	51.2	19%	0.185	27%	0.273	C	S	.	.	S	Bend	trans	-128.9	-1.8	-177	-51.2	179.9	0	0	0	115.1	S4 Y5	S4-I374 WeakPolarHBondContact O-CG2 3.46Å; Y5-I374 VanDerWaalsContact CA-CG2 3.49Å; Y5-I374 WeakPolarHBondContact O-CB 3.45Å; Y5-I374 WeakPolarHBondContact O-CD1 3.4Å; Y5-I374 WeakPolarHBondContact O-CG2 3.47Å
375	C	30.2	Very low	32.3	Very low	12 Å²	12	55.2 Å²	55.2	8%	0.081	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	7.4	-160.4	-62.4	0	0	0	0	117.1	Y5 S379 L390 F392	Y5-C375 VanDerWaalsContact CE2-SG 3.57Å; C375-S379 WeakPolarHBondContact O-CB 3.34Å; C375-L390 HydrophobicContact CB-CD1 3.55Å; C375-F392 HydrophobicContact CB-CE1 4.08Å; C375-F392 HydrophobicContact CB-CE2 4.47Å; C375-F392 HydrophobicContact CB-CZ 3.5Å; C375-F392 WeakPolarHBondContact SG-CZ 3.06Å
376	A	27.7	Very low	31.5	Very low	87 Å²	87	60.2 Å²	60.2	72%	0.719	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.3	179.1	0	0	0	0	0	114.4
377	K	29.9	Very low	31.2	Very low	170 Å²	170	64 Å²	64	74%	0.739	35%	0.348	S	S	*	.	S	Bend	trans	-90.5	-18.2	-175.5	-76.1	-175.4	174.2	-179.5	0	114.4
378	E	25.2	Very low	31.2	Very low	98 Å²	98	68.5 Å²	68.5	46%	0.458	37%	0.372	S	S	.	.	S	Bend	trans	-147.5	56.1	173.1	-69.4	-179.7	167	0	0	109.7
379	S	30.3	Very low	31.8	Very low	28 Å²	28	71.1 Å²	71.1	20%	0.196	39%	0.385	C	S	.	.			trans	-85	110.3	172.6	40.1	0	0	0	0	110.4	F159 C375 K381	F159-S379 WeakPolarHBondContact CZ-O 2.99Å; C375-S379 WeakPolarHBondContact O-CB 3.34Å; S379-K381 PolarHBondContact O-N 3.14Å
380	W	30.7	Very low	32.5	Very low	79 Å²	79	70.8 Å²	70.8	30%	0.299	39%	0.388	S	S	.	.			trans	-63	109.9	175.3	-56.5	82.6	0	0	0	109.5	I382 P393 W454	W380-I382 PolarHBondContact O-N 2.87Å; W380-P393 HydrophobicContact CZ2-CG 3.68Å; W380-P393 VanDerWaalsContact NE1-CD 3.32Å; W380-W454 HydrophobicContact CE3-CD2 4.35Å; W380-W454 AromaticContact CH2-CH2 3.83Å; W380-W454 HydrophobicContact CH2-CH2 3.83Å; W380-W454 AromaticContact CH2-CZ2 3.89Å; W380-W454 HydrophobicContact CH2-CZ2 3.89Å; W380-W454 HydrophobicContact CH2-CZ3 4.18Å; W380-W454 AromaticContact CZ3-CD2 3.64Å; W380-W454 HydrophobicContact CZ3-CD2 3.64Å; W380-W454 AromaticContact CZ3-CE2 3.5Å; W380-W454 AromaticContact CZ3-CE3 3.82Å; W380-W454 HydrophobicContact CZ3-CE3 3.82Å; W380-W454 HydrophobicContact CZ3-CG 4.29Å; W380-W454 AromaticContact CZ3-CH2 3.76Å; W380-W454 HydrophobicContact CZ3-CH2 3.76Å; W380-W454 AromaticContact CZ3-CZ2 3.58Å; W380-W454 HydrophobicContact CZ3-CZ2 3.58Å; W380-W454 AromaticContact CZ3-CZ3 3.88Å; W380-W454 HydrophobicContact CZ3-CZ3 3.88Å
381	K	26.1	Very low	33.6	Very low	67 Å²	67	72.1 Å²	72.1	29%	0.291	39%	0.394	S	S	.	.			trans	-74.5	102.9	-176.8	-64.8	164.3	-175.1	177	0	109.2	I157 F159 S379	I157-K381 HydrophobicContact CB-CD 3.65Å; I157-K381 HydrophobicContact CB-CG 4.32Å; I157-K381 VanDerWaalsContact CB-NZ 3.32Å; I157-K381 HydrophobicContact CD1-CD 4.21Å; I157-K381 HydrophobicContact CD1-CG 3.91Å; I157-K381 HydrophobicContact CG1-CD 4.45Å; I157-K381 HydrophobicContact CG2-CD 4.26Å; I157-K381 PolarHBondContact O-NZ 3.2Å; F159-K381 HydrophobicContact CD2-CD 4.21Å; F159-K381 HydrophobicContact CE2-CD 3.62Å; F159-K381 HydrophobicContact CE2-CG 4.23Å; F159-K381 HydrophobicContact CZ-CD 4.18Å; F159-K381 HydrophobicContact CZ-CG 4.44Å; S379-K381 PolarHBondContact O-N 3.14Å
382	I	25.7	Very low	34.7	Very low	118 Å²	118	71 Å²	71	61%	0.605	38%	0.383	S	S	*	.			trans	-100.4	117	151.6	-60.6	174.7	0	0	0	104.2	W380	W380-I382 PolarHBondContact O-N 2.87Å
383	A	24.2	Very low	35.9	Very low	57 Å²	57	67.6 Å²	67.6	47%	0.471	37%	0.366	S	S	.	.	S	Bend	trans	-59.2	135.6	180	0	0	0	0	0	110.2
384	G	24.9	Very low	37.3	Very low	12 Å²	12	66.1 Å²	66.1	12%	0.124	36%	0.362	C	S	.	.	S	Bend	trans	100.7	115.3	174	0	0	0	0	0	114	N388	G384-N388 PolarHBondContact O-ND2 3.38Å
385	T	27.6	Very low	38.4	Very low	95 Å²	95	69.2 Å²	69.2	58%	0.583	38%	0.378	S	S	*	.			trans	77.7	115.4	163.6	64.2	0	0	0	0	118.3	L387	T385-L387 PolarHBondContact O-N 3.06Å
386	T	37.2	Very low	39.5	Very low	106 Å²	106	72.8 Å²	72.8	65%	0.65	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	32.5	169.1	38.4	0	0	0	0	114.3
387	L	39.4	Very low	40.5	Very low	88 Å²	88	70.4 Å²	70.4	46%	0.461	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-3.4	173.7	-86.6	162.7	0	0	0	112.9	V249 T385	V249-L387 HydrophobicContact CG1-CD2 3.93Å; V249-L387 HydrophobicContact CG2-CD2 3.97Å; T385-L387 PolarHBondContact O-N 3.06Å
388	N	44.9	Very low	41.7	Very low	98 Å²	98	65.3 Å²	65.3	52%	0.524	36%	0.357	S	S	.	.	S	Bend	trans	-83	128.1	-175.9	-76.7	-41.4	0	0	0	113.2	G384 L390	G384-N388 PolarHBondContact O-ND2 3.38Å; N388-L390 PolarHBondContact O-N 3.18Å
389	L	49.5	Very low	42.9	Very low	63 Å²	63	65.9 Å²	65.9	33%	0.33	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-48.5	122.3	168.3	-70.5	167.4	0	0	0	110.3	I257 K391 D469 T470	I257-L389 HydrophobicContact CG2-CD1 4.07Å; I257-L389 HydrophobicContact CG2-CD2 3.95Å; I257-L389 HydrophobicContact CG2-CG 4.07Å; L389-K391 PolarHBondContact O-N 3.36Å; L389-D469 WeakPolarHBondContact CD2-O 2.79Å; L389-T470 VanDerWaalsContact CD2-CA 3.5Å; L389-T470 HydrophobicContact CD2-CG2 3.79Å
390	L	51.4	Low	43.7	Very low	56 Å²	56	71.7 Å²	71.7	29%	0.293	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.4	176.2	-59.3	165.4	0	0	0	108.4	C375 N388 F392 Y468 D469	C375-L390 HydrophobicContact CB-CD1 3.55Å; N388-L390 PolarHBondContact O-N 3.18Å; L390-F392 HydrophobicContact CB-CE2 3.71Å; L390-F392 HydrophobicContact CB-CZ 3.68Å; L390-F392 HydrophobicContact CD1-CZ 4.41Å; L390-Y468 CarbonylContact O-C 3.54Å; L390-Y468 VanDerWaalsContact O-CA 3.3Å; L390-Y468 WeakPolarHBondContact O-CA 3.08Å; L390-D469 HydrophobicContact CB-CB 3.87Å; L390-D469 HydrophobicContact CD1-CB 4.44Å; L390-D469 PolarHBondContact N-O 3.46Å; L390-D469 PolarHBondContact O-N 2.93Å
391	K	55.7	Low	44.9	Very low	52 Å²	52	74.1 Å²	74.1	23%	0.226	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.6	177.2	66.5	-172.9	176.6	-167.3	0	110.7	L389 W466 F467 Y468	L389-K391 PolarHBondContact O-N 3.36Å; K391-W466 HydrophobicContact CB-CE3 4.04Å; K391-W466 HydrophobicContact CD-CE3 4.25Å; K391-W466 HydrophobicContact CD-CZ3 4.49Å; K391-W466 HydrophobicContact CG-CE3 3.97Å; K391-W466 HydrophobicContact CG-CZ3 4.21Å; K391-F467 CarbonylContact C-O 3.44Å; K391-F467 VanDerWaalsContact CA-O 3.27Å; K391-F467 WeakPolarHBondContact CA-O 3.04Å; K391-Y468 HydrophobicContact CB-CD1 3.93Å; K391-Y468 HydrophobicContact CB-CE1 3.91Å
392	F	56.1	Low	46.2	Very low	21 Å²	21	76 Å²	76	9%	0.092	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.5	176.9	-52.9	-81.9	0	0	0	110.1	Y5 C375 L390 L394 W466 F467 D469	Y5-F392 HydrophobicContact CD2-CD2 4.08Å; Y5-F392 HydrophobicContact CD2-CE2 4.24Å; Y5-F392 HydrophobicContact CD2-CG 4.31Å; Y5-F392 AromaticContact CE2-CD2 3.79Å; Y5-F392 HydrophobicContact CE2-CD2 3.79Å; Y5-F392 AromaticContact CE2-CE2 3.66Å; Y5-F392 HydrophobicContact CE2-CE2 3.66Å; Y5-F392 HydrophobicContact CE2-CG 4.45Å; Y5-F392 HydrophobicContact CE2-CZ 4.24Å; C375-F392 HydrophobicContact CB-CE1 4.08Å; C375-F392 HydrophobicContact CB-CE2 4.47Å; C375-F392 HydrophobicContact CB-CZ 3.5Å; C375-F392 WeakPolarHBondContact SG-CZ 3.06Å; L390-F392 HydrophobicContact CB-CE2 3.71Å; L390-F392 HydrophobicContact CB-CZ 3.68Å; L390-F392 HydrophobicContact CD1-CZ 4.41Å; F392-L394 PolarHBondContact O-N 3.08Å; F392-W466 CarbonylContact O-C 3.56Å; F392-W466 WeakPolarHBondContact O-CA 3.11Å; F392-F467 HydrophobicContact CB-CB 4.24Å; F392-F467 HydrophobicContact CD2-CD1 4.12Å; F392-F467 PolarHBondContact N-O 2.78Å; F392-F467 PolarHBondContact O-N 2.71Å; F392-D469 HydrophobicContact CE2-CB 4.29Å
393	P	55.3	Low	47.6	Very low	28 Å²	28	79.6 Å²	79.6	18%	0.182	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.7	175.5	27.9	-31.1	0	0	0	109.2	M1 W380 W466	M1-P393 HydrophobicContact SD-CG 3.88Å; W380-P393 HydrophobicContact CZ2-CG 3.68Å; W380-P393 VanDerWaalsContact NE1-CD 3.32Å; P393-W466 HydrophobicContact CB-CE3 4.22Å; P393-W466 HydrophobicContact CB-CH2 4.17Å; P393-W466 HydrophobicContact CB-CZ3 3.86Å; P393-W466 HydrophobicContact CG-CZ3 4.19Å
394	L	61.2	Low	49.3	Very low	18 Å²	18	81.1 Å²	81.1	9%	0.094	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127	164.8	-65.6	167.6	0	0	0	107.1	L2 I362 F392 N396 K465 F467	L2-L394 HydrophobicContact CD1-CD2 3.48Å; L2-L394 VanDerWaalsContact CD1-CD2 3.48Å; L2-L394 HydrophobicContact CD2-CD2 4.01Å; L2-L394 HydrophobicContact CG-CD2 3.73Å; I362-L394 HydrophobicContact CB-CD1 4.23Å; I362-L394 HydrophobicContact CD1-CD1 3.38Å; I362-L394 HydrophobicContact CD1-CD2 4.42Å; I362-L394 HydrophobicContact CG1-CD1 3.65Å; F392-L394 PolarHBondContact O-N 3.08Å; L394-N396 PolarHBondContact O-N 3.06Å; L394-K465 HydrophobicContact CB-CB 3.91Å; L394-K465 WeakPolarHBondContact CB-O 3.28Å; L394-K465 HydrophobicContact CD1-CB 4.13Å; L394-K465 PolarHBondContact N-O 3.4Å; L394-F467 HydrophobicContact CD1-CB 4.44Å; L394-F467 HydrophobicContact CD2-CB 4.1Å; L394-F467 HydrophobicContact CD2-CD2 4.28Å; L394-F467 HydrophobicContact CG-CB 4.11Å
395	L	53	Low	50.9	Low	100 Å²	100	87.4 Å²	87.4	52%	0.524	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-52.3	119.6	171.1	-75.8	163.8	0	0	0	108	M1 P397	M1-L395 HydrophobicContact CB-CD1 4.43Å; M1-L395 HydrophobicContact CE-CD2 3.86Å; M1-L395 HydrophobicContact CE-CG 4.06Å; L395-P397 VanDerWaalsContact C-CD 3.45Å; L395-P397 WeakPolarHBondContact O-CD 3.23Å
396	N	52.7	Low	52.5	Low	88 Å²	88	89.2 Å²	89.2	47%	0.471	44%	0.441	S	S	.	.			trans	-94.4	86.1	167.3	-170	10.3	0	0	0	106.9	L394 T398	L394-N396 PolarHBondContact O-N 3.06Å; N396-T398 PolarHBondContact O-N 3.27Å
397	P	50	Low	53.7	Low	37 Å²	37	88.5 Å²	88.5	24%	0.24	43%	0.433	C	S	.	.			trans	-68.4	109.9	177.5	32.9	-35.8	0	0	0	106.8	L395 K401 E402	L395-P397 VanDerWaalsContact C-CD 3.45Å; L395-P397 WeakPolarHBondContact O-CD 3.23Å; P397-K401 HydrophobicContact CB-CB 4.34Å; P397-E402 HydrophobicContact CB-CG 3.62Å; P397-E402 HydrophobicContact CG-CG 3.88Å
398	T	53.8	Low	54.8	Low	63 Å²	63	85.8 Å²	85.8	39%	0.387	42%	0.423	S	S	.	.			trans	-56.2	152.6	167.3	56.7	0	0	0	0	108.6	N396 R400 K401 E402	N396-T398 PolarHBondContact O-N 3.27Å; T398-R400 CarbonylContact O-C 3.57Å; T398-R400 PolarHBondContact O-N 2.79Å; T398-K401 WeakPolarHBondContact O-CA 3.24Å; T398-K401 WeakPolarHBondContact O-CB 3.28Å; T398-K401 PolarHBondContact O-N 3.35Å; T398-K401 PolarHBondContact OG1-N 3.05Å; T398-E402 PolarHBondContact O-N 3.39Å
399	P	50.2	Low	55.5	Low	110 Å²	110	85.3 Å²	85.3	71%	0.714	42%	0.42	S	S	*	.	H	α-helix	trans	-50	-32.7	176.8	-28.3	34.1	0	0	0	112.7	R403	P399-R403 WeakPolarHBondContact O-CB 3.5Å; P399-R403 PolarHBondContact O-N 3.38Å
400	R	47.3	Very low	56.1	Low	149 Å²	149	85.1 Å²	85.1	56%	0.562	42%	0.421	S	S	*	.	H	α-helix	trans	-63	-48.8	171.7	-175.6	176.6	177.6	174.4	-3.2	112.8	T398 E402 R403 L404	T398-R400 CarbonylContact O-C 3.57Å; T398-R400 PolarHBondContact O-N 2.79Å; R400-E402 VanDerWaalsContact C-N 3.35Å; R400-R403 PolarHBondContact O-N 3.38Å; R400-L404 HydrophobicContact CG-CD1 4.12Å; R400-L404 WeakPolarHBondContact O-CB 3.38Å; R400-L404 WeakPolarHBondContact O-CG 3.23Å; R400-L404 PolarHBondContact O-N 3.44Å
401	K	57.5	Low	56.4	Low	130 Å²	130	89.2 Å²	89.2	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-63.4	-39	176.7	-77.3	-177.6	178.8	178	0	111.7	P397 T398 L404 K405	P397-K401 HydrophobicContact CB-CB 4.34Å; T398-K401 WeakPolarHBondContact O-CA 3.24Å; T398-K401 WeakPolarHBondContact O-CB 3.28Å; T398-K401 PolarHBondContact O-N 3.35Å; T398-K401 PolarHBondContact OG1-N 3.05Å; K401-L404 PolarHBondContact O-N 3.31Å; K401-K405 WeakPolarHBondContact O-CB 3.32Å; K401-K405 PolarHBondContact O-N 3.36Å
402	E	53.1	Low	56.4	Low	108 Å²	108	93.3 Å²	93.3	51%	0.505	45%	0.454	S	S	.	.	H	α-helix	trans	-62.2	-46.7	173.1	-67.5	-164.5	145.6	0	0	111.6	P397 T398 R400 L404 K405 H406	P397-E402 HydrophobicContact CB-CG 3.62Å; P397-E402 HydrophobicContact CG-CG 3.88Å; T398-E402 PolarHBondContact O-N 3.39Å; R400-E402 VanDerWaalsContact C-N 3.35Å; E402-L404 VanDerWaalsContact C-N 3.35Å; E402-L404 PolarHBondContact O-N 3.02Å; E402-K405 PolarHBondContact O-N 3.43Å; E402-H406 WeakPolarHBondContact O-CB 2.83Å; E402-H406 PolarHBondContact O-N 3.27Å
403	R	54.2	Low	56.3	Low	192 Å²	192	98.3 Å²	98.3	73%	0.725	48%	0.478	S	S	*	.	H	α-helix	trans	-59.8	-44.7	177.9	-156.5	177.6	-162.4	-177.9	4.4	111.7	P399 R400 H406 L407	P399-R403 WeakPolarHBondContact O-CB 3.5Å; P399-R403 PolarHBondContact O-N 3.38Å; R400-R403 PolarHBondContact O-N 3.38Å; R403-H406 PolarHBondContact O-N 2.58Å; R403-L407 HydrophobicContact CG-CD1 4.43Å; R403-L407 WeakPolarHBondContact O-CB 3.34Å; R403-L407 WeakPolarHBondContact O-CD1 3.28Å; R403-L407 WeakPolarHBondContact O-CG 2.82Å; R403-L407 PolarHBondContact O-N 3.29Å
404	L	60.5	Low	56.2	Low	89 Å²	89	104.2 Å²	104.2	47%	0.466	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-42.3	175.2	-73.4	168.5	0	0	0	112	R400 K401 E402 L407 A408	R400-L404 HydrophobicContact CG-CD1 4.12Å; R400-L404 WeakPolarHBondContact O-CB 3.38Å; R400-L404 WeakPolarHBondContact O-CG 3.23Å; R400-L404 PolarHBondContact O-N 3.44Å; K401-L404 PolarHBondContact O-N 3.31Å; E402-L404 VanDerWaalsContact C-N 3.35Å; E402-L404 PolarHBondContact O-N 3.02Å; L404-L407 PolarHBondContact O-N 2.74Å; L404-A408 WeakPolarHBondContact O-CB 3.24Å; L404-A408 PolarHBondContact O-N 2.82Å
405	K	58.4	Low	55.7	Low	145 Å²	145	108.9 Å²	108.9	63%	0.63	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-38.2	176.8	-160.8	178.7	-176.3	-175.7	0	111.7	K401 E402 A408 L409	K401-K405 WeakPolarHBondContact O-CB 3.32Å; K401-K405 PolarHBondContact O-N 3.36Å; E402-K405 PolarHBondContact O-N 3.43Å; K405-A408 PolarHBondContact O-N 3.15Å; K405-L409 HydrophobicContact CG-CD1 4.46Å; K405-L409 WeakPolarHBondContact O-CB 3.5Å; K405-L409 WeakPolarHBondContact O-CG 3.2Å; K405-L409 PolarHBondContact O-N 3.5Å
406	H	60.9	Low	55.7	Low	133 Å²	133	108.3 Å²	108.3	62%	0.616	53%	0.525	S	S	*	.	H	α-helix	trans	-65.5	-41.6	174.4	-125.1	-67.7	0	0	0	111.9	E402 R403 L409 T410	E402-H406 WeakPolarHBondContact O-CB 2.83Å; E402-H406 PolarHBondContact O-N 3.27Å; R403-H406 PolarHBondContact O-N 2.58Å; H406-L409 PolarHBondContact O-N 3.26Å; H406-T410 WeakPolarHBondContact O-CB 3.3Å; H406-T410 WeakPolarHBondContact O-CG2 3.48Å; H406-T410 PolarHBondContact O-N 3.14Å; H406-T410 PolarHBondContact O-OG1 3.39Å
407	L	62.9	Low	55.6	Low	91 Å²	91	111 Å²	111	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-62.6	-42.1	172.6	-79.2	157.4	0	0	0	111.6	R403 L404 T410 K411	R403-L407 HydrophobicContact CG-CD1 4.43Å; R403-L407 WeakPolarHBondContact O-CB 3.34Å; R403-L407 WeakPolarHBondContact O-CD1 3.28Å; R403-L407 WeakPolarHBondContact O-CG 2.82Å; R403-L407 PolarHBondContact O-N 3.29Å; L404-L407 PolarHBondContact O-N 2.74Å; L407-T410 WeakPolarHBondContact CA-OG1 3.27Å; L407-T410 PolarHBondContact O-OG1 3.48Å; L407-K411 WeakPolarHBondContact O-CB 3.41Å; L407-K411 WeakPolarHBondContact O-CG 3.49Å; L407-K411 PolarHBondContact O-N 2.98Å
408	A	62.3	Low	55.7	Low	31 Å²	31	116 Å²	116	26%	0.256	56%	0.562	S	S	.	*	H	α-helix	trans	-64.3	-44.4	176.1	0	0	0	0	0	111.8	L404 K405 K411 K412 M435	L404-A408 WeakPolarHBondContact O-CB 3.24Å; L404-A408 PolarHBondContact O-N 2.82Å; K405-A408 PolarHBondContact O-N 3.15Å; A408-K411 PolarHBondContact O-N 2.95Å; A408-K412 VanDerWaalsContact O-CB 3.24Å; A408-K412 WeakPolarHBondContact O-CB 3.28Å; A408-K412 PolarHBondContact O-N 2.76Å; A408-M435 HydrophobicContact CB-CE 3.84Å
409	L	58.8	Low	55.5	Low	88 Å²	88	117.5 Å²	117.5	46%	0.461	57%	0.568	S	S	.	*	H	α-helix	trans	-64.9	-42.9	177.2	-76.1	164.9	0	0	0	112.2	K405 H406 K412 Q413	K405-L409 HydrophobicContact CG-CD1 4.46Å; K405-L409 WeakPolarHBondContact O-CB 3.5Å; K405-L409 WeakPolarHBondContact O-CG 3.2Å; K405-L409 PolarHBondContact O-N 3.5Å; H406-L409 PolarHBondContact O-N 3.26Å; L409-K412 PolarHBondContact O-N 2.92Å; L409-Q413 WeakPolarHBondContact O-CB 3.34Å; L409-Q413 WeakPolarHBondContact O-CG 3.28Å; L409-Q413 PolarHBondContact O-N 2.96Å
410	T	62.1	Low	54.9	Low	58 Å²	58	114.6 Å²	114.6	36%	0.356	56%	0.558	S	S	.	*	H	α-helix	trans	-67.8	-38.9	177.1	45.1	0	0	0	0	112.1	H406 L407 K414	H406-T410 WeakPolarHBondContact O-CB 3.3Å; H406-T410 WeakPolarHBondContact O-CG2 3.48Å; H406-T410 PolarHBondContact O-N 3.14Å; H406-T410 PolarHBondContact O-OG1 3.39Å; L407-T410 WeakPolarHBondContact CA-OG1 3.27Å; L407-T410 PolarHBondContact O-OG1 3.48Å; T410-K414 WeakPolarHBondContact O-CB 3.2Å; T410-K414 WeakPolarHBondContact O-CG 3.45Å; T410-K414 PolarHBondContact O-N 3.46Å
411	K	57.5	Low	54.6	Low	142 Å²	142	117.6 Å²	117.6	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-62.8	-45.1	169.7	-79.2	-170.2	176.5	-172.4	0	111.3	L407 A408 Q413 K414 F415	L407-K411 WeakPolarHBondContact O-CB 3.41Å; L407-K411 WeakPolarHBondContact O-CG 3.49Å; L407-K411 PolarHBondContact O-N 2.98Å; A408-K411 PolarHBondContact O-N 2.95Å; K411-Q413 PolarHBondContact O-N 3.31Å; K411-K414 PolarHBondContact O-N 3.29Å; K411-F415 WeakPolarHBondContact O-CB 3.05Å; K411-F415 PolarHBondContact O-N 2.94Å
412	K	57.2	Low	53.6	Low	138 Å²	138	119.3 Å²	119.3	60%	0.6	59%	0.585	S	S	*	*	H	α-helix	trans	-64.5	-38.1	179.6	-155.9	174.5	-171.2	178	0	112.1	A408 L409 F415 S416	A408-K412 VanDerWaalsContact O-CB 3.24Å; A408-K412 WeakPolarHBondContact O-CB 3.28Å; A408-K412 PolarHBondContact O-N 2.76Å; L409-K412 PolarHBondContact O-N 2.92Å; K412-F415 PolarHBondContact O-N 3.13Å; K412-S416 WeakPolarHBondContact O-CB 3.28Å; K412-S416 PolarHBondContact O-N 3.43Å
413	Q	54.5	Low	52.7	Low	127 Å²	127	117.8 Å²	117.8	59%	0.593	60%	0.599	S	S	*	*	H	α-helix	trans	-65.9	-46.5	171.9	-79	178.4	-13.8	0	0	111.7	L409 K411 F415 S416 L417	L409-Q413 WeakPolarHBondContact O-CB 3.34Å; L409-Q413 WeakPolarHBondContact O-CG 3.28Å; L409-Q413 PolarHBondContact O-N 2.96Å; K411-Q413 PolarHBondContact O-N 3.31Å; Q413-F415 VanDerWaalsContact C-N 3.32Å; Q413-F415 PolarHBondContact O-N 2.87Å; Q413-S416 PolarHBondContact O-N 3.22Å; Q413-L417 WeakPolarHBondContact O-CB 3.45Å; Q413-L417 PolarHBondContact O-N 2.96Å
414	K	52.8	Low	51.8	Low	151 Å²	151	114.6 Å²	114.6	66%	0.657	59%	0.593	S	S	*	*	H	α-helix	trans	-58.8	-43.6	174	-79.9	-175.8	175.1	-174	0	111.6	T410 K411 L417 L418	T410-K414 WeakPolarHBondContact O-CB 3.2Å; T410-K414 WeakPolarHBondContact O-CG 3.45Å; T410-K414 PolarHBondContact O-N 3.46Å; K411-K414 PolarHBondContact O-N 3.29Å; K414-L417 PolarHBondContact O-N 3.33Å; K414-L418 WeakPolarHBondContact O-CB 3.47Å; K414-L418 WeakPolarHBondContact O-CD1 3.21Å; K414-L418 PolarHBondContact O-N 3.21Å
415	F	51.2	Low	50.5	Low	117 Å²	117	115.5 Å²	115.5	51%	0.513	61%	0.607	S	S	.	*	H	α-helix	trans	-67.6	-39.5	178.7	-139.8	-94	0	0	0	112.1	K411 K412 Q413 L417 L418 N419	K411-F415 WeakPolarHBondContact O-CB 3.05Å; K411-F415 PolarHBondContact O-N 2.94Å; K412-F415 PolarHBondContact O-N 3.13Å; Q413-F415 VanDerWaalsContact C-N 3.32Å; Q413-F415 PolarHBondContact O-N 2.87Å; F415-L417 VanDerWaalsContact C-N 3.35Å; F415-L418 PolarHBondContact O-N 3.39Å; F415-N419 WeakPolarHBondContact CD1-ND2 3.31Å; F415-N419 WeakPolarHBondContact CE1-ND2 3.49Å; F415-N419 WeakPolarHBondContact O-CB 3.47Å; F415-N419 PolarHBondContact O-N 3.45Å
416	S	51.8	Low	49.6	Very low	87 Å²	87	118.9 Å²	118.9	61%	0.608	62%	0.618	S	S	*	*	H	α-helix	trans	-68	-31.9	175.5	-178.6	0	0	0	0	112.9	K412 Q413 G420	K412-S416 WeakPolarHBondContact O-CB 3.28Å; K412-S416 PolarHBondContact O-N 3.43Å; Q413-S416 PolarHBondContact O-N 3.22Å; S416-G420 PolarHBondContact O-N 3.31Å
417	L	51.7	Low	48.6	Very low	145 Å²	145	117.8 Å²	117.8	76%	0.759	61%	0.611	S	S	*	*	H	α-helix	trans	-74.5	-38.2	173.3	-102.7	124.2	0	0	0	111.8	Q413 K414 F415	Q413-L417 WeakPolarHBondContact O-CB 3.45Å; Q413-L417 PolarHBondContact O-N 2.96Å; K414-L417 PolarHBondContact O-N 3.33Å; F415-L417 VanDerWaalsContact C-N 3.35Å
418	L	50.3	Low	47.4	Very low	141 Å²	141	119.5 Å²	119.5	74%	0.738	62%	0.617	S	S	*	*	H	α-helix	trans	-73	-31.9	178.9	-96	135.5	0	0	0	113.3	K414 F415	K414-L418 WeakPolarHBondContact O-CB 3.47Å; K414-L418 WeakPolarHBondContact O-CD1 3.21Å; K414-L418 PolarHBondContact O-N 3.21Å; F415-L418 PolarHBondContact O-N 3.39Å
419	N	50.6	Low	46.5	Very low	95 Å²	95	122.2 Å²	122.2	51%	0.508	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.2	26.5	-177.3	-67.9	-3.3	0	0	0	113.1	F415 Y421	F415-N419 WeakPolarHBondContact CD1-ND2 3.31Å; F415-N419 WeakPolarHBondContact CE1-ND2 3.49Å; F415-N419 WeakPolarHBondContact O-CB 3.47Å; F415-N419 PolarHBondContact O-N 3.45Å; N419-Y421 PolarHBondContact O-N 3.05Å
420	G	38.2	Very low	45.9	Very low	49 Å²	49	123.4 Å²	123.4	51%	0.505	63%	0.634	S	S	.	*			trans	-61.2	5.6	-169.3	0	0	0	0	0	118	S416	S416-G420 PolarHBondContact O-N 3.31Å
421	Y	40.9	Very low	44.9	Very low	213 Å²	213	124.3 Å²	124.3	84%	0.835	64%	0.636	S	S	*	*	S	Bend	trans	-143	121.4	176.3	-70.6	-90.2	0	0	0	109.6	N419	N419-Y421 PolarHBondContact O-N 3.05Å
422	L	34.9	Very low	44.2	Very low	166 Å²	166	122.8 Å²	122.8	87%	0.869	63%	0.631	S	S	*	*	S	Bend	trans	78.2	107.3	173.2	-76.5	75.6	0	0	0	119
423	G	34.1	Very low	43.7	Very low	76 Å²	76	123.8 Å²	123.8	78%	0.784	64%	0.635	S	S	*	*				82.8	49.1	117.4	0	0	0	0	0	120.2
424	M	35.5	Very low	43	Very low	124 Å²	124	125 Å²	125	61%	0.611	64%	0.641	S	S	*	*			trans	-145.4	64.2	176.6	-63.6	-75.2	-76.9	0	0	114.1	Y426 K427	M424-Y426 PolarHBondContact O-N 3.49Å; M424-K427 HydrophobicContact CE-CB 4.31Å; M424-K427 HydrophobicContact CE-CD 3.26Å; M424-K427 VanDerWaalsContact CE-CE 3.46Å; M424-K427 HydrophobicContact CE-CG 3.61Å
425	S	34.8	Very low	42.5	Very low	109 Å²	109	123.2 Å²	123.2	76%	0.762	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	2.3	169.9	-56.7	0	0	0	0	113.9
426	Y	38.6	Very low	42.1	Very low	215 Å²	215	124.9 Å²	124.9	84%	0.843	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	-0.2	-168.1	-76.3	-84.4	0	0	0	116.1	M424	M424-Y426 PolarHBondContact O-N 3.49Å
427	K	39.5	Very low	41.4	Very low	110 Å²	110	123.9 Å²	123.9	48%	0.478	65%	0.649	S	S	.	*			trans	-102.7	16.7	179.5	-79.3	-162.6	176.2	-158.3	0	115.6	M424 T429 E430	M424-K427 HydrophobicContact CE-CB 4.31Å; M424-K427 HydrophobicContact CE-CD 3.26Å; M424-K427 VanDerWaalsContact CE-CE 3.46Å; M424-K427 HydrophobicContact CE-CG 3.61Å; K427-T429 PolarHBondContact O-N 3.43Å; K427-E430 WeakPolarHBondContact CD-OE2 3.23Å; K427-E430 IonicContact NZ-OE2 3.46Å; K427-E430 PolarHBondContact NZ-OE2 2.74Å; K427-E430 PolarHBondContact O-N 2.84Å
428	Q	38.3	Very low	40.7	Very low	128 Å²	128	124.1 Å²	124.1	60%	0.598	65%	0.651	S	S	*	*	H	α-helix	trans	-62.4	-30.6	-177.4	-139.7	169.2	-22.7	0	0	112.9
429	T	42.6	Very low	39.8	Very low	88 Å²	88	120.6 Å²	120.6	54%	0.54	64%	0.642	S	S	.	*	H	α-helix	trans	-73.3	-26.5	-179.4	20.8	0	0	0	0	115	K427 K433	K427-T429 PolarHBondContact O-N 3.43Å; T429-K433 PolarHBondContact O-N 3.33Å
430	E	46	Very low	39.1	Very low	113 Å²	113	119.5 Å²	119.5	53%	0.528	64%	0.642	S	S	.	*	H	α-helix	trans	-73.4	-36.5	177.5	-72.4	-177	157.3	0	0	111.3	K427 K433 E434	K427-E430 WeakPolarHBondContact CD-OE2 3.23Å; K427-E430 IonicContact NZ-OE2 3.46Å; K427-E430 PolarHBondContact NZ-OE2 2.74Å; K427-E430 PolarHBondContact O-N 2.84Å; E430-K433 PolarHBondContact O-N 3.32Å; E430-E434 PolarHBondContact O-N 2.69Å
431	L	42.6	Very low	38.9	Very low	76 Å²	76	121.9 Å²	121.9	40%	0.398	65%	0.649	S	S	.	*	H	α-helix	trans	-72.2	-29.5	-179.9	-125.8	135.2	0	0	0	112.8	M435	L431-M435 VanDerWaalsContact O-CG 3.29Å; L431-M435 WeakPolarHBondContact O-CG 3.33Å
432	E	43	Very low	38.8	Very low	111 Å²	111	121 Å²	121	52%	0.519	65%	0.649	S	S	.	*	H	α-helix	trans	-71.3	-40	176.2	-72.5	171.8	172.4	0	0	111.4	M435 E436	E432-M435 PolarHBondContact O-N 3.42Å; E432-E436 PolarHBondContact O-N 3.12Å
433	K	44.9	Very low	38.8	Very low	159 Å²	159	118.8 Å²	118.8	69%	0.691	64%	0.638	S	S	*	*	H	α-helix	trans	-66.8	-37.7	177.4	-73	-178.8	177.8	-177.4	0	113.4	T429 E430 M435 E436	T429-K433 PolarHBondContact O-N 3.33Å; E430-K433 PolarHBondContact O-N 3.32Å; K433-M435 PolarHBondContact O-N 2.91Å; K433-E436 PolarHBondContact O-N 2.84Å
434	E	41.5	Very low	38.8	Very low	152 Å²	152	122.7 Å²	122.7	71%	0.71	64%	0.636	S	S	*	*	H	α-helix	trans	-68.9	-22.9	176	-73.3	-173.8	169.9	0	0	113.3	E430	E430-E434 PolarHBondContact O-N 2.69Å
435	M	41.5	Very low	38.5	Very low	113 Å²	113	122.1 Å²	122.1	56%	0.557	64%	0.644	S	S	*	*	H	α-helix	trans	-80.9	-21.3	179.4	-73.9	-177.5	63.4	0	0	113.4	A408 L431 E432 K433	A408-M435 HydrophobicContact CB-CE 3.84Å; L431-M435 VanDerWaalsContact O-CG 3.29Å; L431-M435 WeakPolarHBondContact O-CG 3.33Å; E432-M435 PolarHBondContact O-N 3.42Å; K433-M435 PolarHBondContact O-N 2.91Å
436	E	42.4	Very low	38.4	Very low	153 Å²	153	126.6 Å²	126.6	72%	0.715	64%	0.644	S	S	*	*	H	α-helix	trans	-83.6	-27.2	178.1	-70.7	179.3	160.6	0	0	112.8	E432 K433 N438	E432-E436 PolarHBondContact O-N 3.12Å; K433-E436 PolarHBondContact O-N 2.84Å; E436-N438 VanDerWaalsContact C-N 3.26Å; E436-N438 PolarHBondContact O-N 2.82Å
437	G	37.5	Very low	38.1	Very low	66 Å²	66	121.7 Å²	121.7	68%	0.68	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	2.2	-172	0	0	0	0	0	117.9
438	N	36.1	Very low	37.8	Very low	149 Å²	149	123.9 Å²	123.9	80%	0.797	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	19.5	-176.7	-75.9	-49.8	0	0	0	114	E436 S440	E436-N438 VanDerWaalsContact C-N 3.26Å; E436-N438 PolarHBondContact O-N 2.82Å; N438-S440 PolarHBondContact O-N 3.43Å
439	A	33.1	Very low	37.5	Very low	67 Å²	67	124.4 Å²	124.4	55%	0.554	66%	0.66	S	S	*	*			trans	-80.4	117.9	174.6	0	0	0	0	0	111.1
440	S	35	Very low	37.1	Very low	72 Å²	72	125.1 Å²	125.1	50%	0.503	68%	0.676	S	S	.	*			trans	-52.9	143.3	174.4	-175.7	0	0	0	0	111.9	N438 K442	N438-S440 PolarHBondContact O-N 3.43Å; S440-K442 PolarHBondContact O-N 3.11Å
441	P	34.4	Very low	36.6	Very low	100 Å²	100	123.4 Å²	123.4	65%	0.649	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	12.2	-172.8	-21.1	32.1	0	0	0	117.4	H444	P441-H444 PolarHBondContact O-CD2 3.4Å
442	K	38.4	Very low	36.4	Very low	193 Å²	193	123.5 Å²	123.5	84%	0.839	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	0.5	-174.5	-72.2	-171	175.7	-177.3	0	115.3	S440	S440-K442 PolarHBondContact O-N 3.11Å
443	D	35.7	Very low	36.1	Very low	121 Å²	121	129.8 Å²	129.8	65%	0.647	72%	0.719	S	S	*	*			trans	-98.2	12.5	176.1	-82.9	-30.2	0	0	0	113.7	S445	D443-S445 VanDerWaalsContact C-N 3.29Å; D443-S445 PolarHBondContact O-N 3.02Å
444	H	32.6	Very low	36	Very low	158 Å²	158	131.3 Å²	131.3	73%	0.731	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	20.4	-176.4	-75.2	-62.1	0	0	0	116.3	P441 R446	P441-H444 PolarHBondContact O-CD2 3.4Å; H444-R446 VanDerWaalsContact C-N 3.31Å
445	S	29.6	Very low	36.2	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	6.4	170.2	78.2	0	0	0	0	113.8	D443 T447	D443-S445 VanDerWaalsContact C-N 3.29Å; D443-S445 PolarHBondContact O-N 3.02Å; S445-T447 PolarHBondContact O-N 2.93Å; S445-T447 VanDerWaalsContact O-N 3.11Å
446	R	33.9	Very low	36.8	Very low	202 Å²	202	127.1 Å²	127.1	76%	0.762	71%	0.71	S	S	*	*			trans	-81.8	77.9	164.2	-80	-177.7	168.6	179.3	-3.9	108.4	H444 D448 D460	H444-R446 VanDerWaalsContact C-N 3.31Å; R446-D448 PolarHBondContact O-N 3.37Å; R446-D460 IonicContact NH2-OD2 3.79Å
447	T	32.5	Very low	37.4	Very low	112 Å²	112	126.2 Å²	126.2	69%	0.687	71%	0.706	S	S	*	*			trans	-55.8	126.3	158.5	45.5	0	0	0	0	107.6	S445 N449	S445-T447 PolarHBondContact O-N 2.93Å; S445-T447 VanDerWaalsContact O-N 3.11Å; T447-N449 VanDerWaalsContact C-N 3.27Å; T447-N449 PolarHBondContact O-N 3.49Å
448	D	32.4	Very low	38.5	Very low	156 Å²	156	126.1 Å²	126.1	83%	0.834	69%	0.69	S	S	*	*			trans	-52.7	88.9	170.5	-71.2	-46.9	0	0	0	110.1	R446 A450	R446-D448 PolarHBondContact O-N 3.37Å; D448-A450 PolarHBondContact O-N 3.15Å
449	N	32	Very low	39.7	Very low	139 Å²	139	122.2 Å²	122.2	74%	0.743	67%	0.673	S	S	*	*			trans	-72.7	82.2	159	-79.9	-10.4	0	0	0	106.4	T447 A451	T447-N449 VanDerWaalsContact C-N 3.27Å; T447-N449 PolarHBondContact O-N 3.49Å; N449-A451 PolarHBondContact O-N 3.31Å
450	A	34.3	Very low	40.5	Very low	104 Å²	104	124 Å²	124	86%	0.86	67%	0.673	S	S	*	*			trans	-65.4	30.7	175	0	0	0	0	0	113.7	D448	D448-A450 PolarHBondContact O-N 3.15Å
451	A	35.6	Very low	41.5	Very low	76 Å²	76	122.9 Å²	122.9	63%	0.628	66%	0.659	S	S	*	*	S	Bend	trans	-147.3	107.7	168.1	0	0	0	0	0	107.6	N449 R453	N449-A451 PolarHBondContact O-N 3.31Å; A451-R453 PolarHBondContact O-N 2.86Å
452	G	38	Very low	42.8	Very low	79 Å²	79	124.8 Å²	124.8	81%	0.814	66%	0.657	S	S	*	*			trans	-66.1	54.8	-171.3	0	0	0	0	0	116.5
453	R	36.9	Very low	43.8	Very low	243 Å²	243	123.5 Å²	123.5	92%	0.917	65%	0.647	S	S	*	*			trans	-85.5	109.7	163.4	-92.4	-174.6	-170.9	-175.3	3.3	109.3	A451	A451-R453 PolarHBondContact O-N 2.86Å
454	W	42.3	Very low	44.9	Very low	190 Å²	190	118.7 Å²	118.7	72%	0.72	63%	0.626	S	S	*	*			trans	-67.9	131.3	170.7	-68.4	94.3	0	0	0	110.4	W380 P456	W380-W454 HydrophobicContact CE3-CD2 4.35Å; W380-W454 AromaticContact CH2-CH2 3.83Å; W380-W454 HydrophobicContact CH2-CH2 3.83Å; W380-W454 AromaticContact CH2-CZ2 3.89Å; W380-W454 HydrophobicContact CH2-CZ2 3.89Å; W380-W454 HydrophobicContact CH2-CZ3 4.18Å; W380-W454 AromaticContact CZ3-CD2 3.64Å; W380-W454 HydrophobicContact CZ3-CD2 3.64Å; W380-W454 AromaticContact CZ3-CE2 3.5Å; W380-W454 AromaticContact CZ3-CE3 3.82Å; W380-W454 HydrophobicContact CZ3-CE3 3.82Å; W380-W454 HydrophobicContact CZ3-CG 4.29Å; W380-W454 AromaticContact CZ3-CH2 3.76Å; W380-W454 HydrophobicContact CZ3-CH2 3.76Å; W380-W454 AromaticContact CZ3-CZ2 3.58Å; W380-W454 HydrophobicContact CZ3-CZ2 3.58Å; W380-W454 AromaticContact CZ3-CZ3 3.88Å; W380-W454 HydrophobicContact CZ3-CZ3 3.88Å; W454-P456 WeakPolarHBondContact O-CD 3.46Å
455	N	46.4	Very low	46.5	Very low	90 Å²	90	112.2 Å²	112.2	48%	0.481	60%	0.596	S	S	.	*			trans	-95.6	112.6	175.5	-174.5	-1.4	0	0	0	109.9	E457 D458	N455-E457 PolarHBondContact O-N 3.31Å; N455-E457 VanDerWaalsContact O-N 3.09Å; N455-E457 VanDerWaalsContact OD1-CB 3.31Å; N455-E457 WeakPolarHBondContact OD1-CB 3.43Å; N455-E457 PolarHBondContact OD1-N 3.3Å; N455-D458 VanDerWaalsContact O-CB 3.24Å; N455-D458 WeakPolarHBondContact O-CB 3.08Å; N455-D458 PolarHBondContact O-N 3.49Å
456	P	53.9	Low	48.2	Very low	87 Å²	87	108 Å²	108	57%	0.565	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-18.6	174.3	-22	33.3	0	0	0	113.7	W454 D458 F461	W454-P456 WeakPolarHBondContact O-CD 3.46Å; P456-D458 VanDerWaalsContact C-N 3.34Å; P456-F461 HydrophobicContact CB-CE1 4.49Å; P456-F461 WeakPolarHBondContact O-CD1 3.42Å
457	E	54.2	Low	49.7	Very low	134 Å²	134	98.4 Å²	98.4	63%	0.626	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.2	177.8	-53.3	-151.7	135.3	0	0	114.2	N455	N455-E457 PolarHBondContact O-N 3.31Å; N455-E457 VanDerWaalsContact O-N 3.09Å; N455-E457 VanDerWaalsContact OD1-CB 3.31Å; N455-E457 WeakPolarHBondContact OD1-CB 3.43Å; N455-E457 PolarHBondContact OD1-N 3.3Å
458	D	61.1	Low	51.3	Low	64 Å²	64	95 Å²	95	34%	0.342	50%	0.501	S	S	.	.			trans	-55.4	128.5	179.6	-170.4	-45.7	0	0	0	110.2	N455 P456 D460 F461 K462	N455-D458 VanDerWaalsContact O-CB 3.24Å; N455-D458 WeakPolarHBondContact O-CB 3.08Å; N455-D458 PolarHBondContact O-N 3.49Å; P456-D458 VanDerWaalsContact C-N 3.34Å; D458-D460 PolarHBondContact O-N 2.97Å; D458-D460 WeakPolarHBondContact OD1-CB 3.47Å; D458-D460 PolarHBondContact OD1-N 3.35Å; D458-F461 HydrophobicContact CB-CB 4.16Å; D458-F461 WeakPolarHBondContact O-CA 3.4Å; D458-F461 WeakPolarHBondContact O-CB 3.2Å; D458-F461 PolarHBondContact O-N 2.96Å; D458-K462 PolarHBondContact O-N 3.42Å
459	P	60.6	Low	52.9	Low	68 Å²	68	88 Å²	88	44%	0.442	46%	0.464	S	S	.	.	H	α-helix	trans	-56.9	-31	178.9	21.5	-32.4	0	0	0	113.4	F461 R463	P459-F461 VanDerWaalsContact C-N 3.33Å; P459-R463 VanDerWaalsContact O-CB 3.23Å; P459-R463 WeakPolarHBondContact O-CB 3.34Å; P459-R463 WeakPolarHBondContact O-CG 3.4Å; P459-R463 PolarHBondContact O-N 2.85Å
460	D	51	Low	54.4	Low	103 Å²	103	81.7 Å²	81.7	55%	0.551	43%	0.43	S	S	*	.	H	α-helix	trans	-67.8	-35.3	175.1	-76.9	-16.1	0	0	0	111.3	R446 D458 G464	R446-D460 IonicContact NH2-OD2 3.79Å; D458-D460 PolarHBondContact O-N 2.97Å; D458-D460 WeakPolarHBondContact OD1-CB 3.47Å; D458-D460 PolarHBondContact OD1-N 3.35Å; D460-G464 WeakPolarHBondContact O-CA 3.44Å; D460-G464 PolarHBondContact O-N 2.65Å
461	F	55.7	Low	55.4	Low	50 Å²	50	78 Å²	78	22%	0.219	40%	0.397	C	S	.	.	H	α-helix	trans	-71.2	-46.4	175.5	-171.7	-91.1	0	0	0	111.4	P456 D458 P459 R463 G464 W466	P456-F461 HydrophobicContact CB-CE1 4.49Å; P456-F461 WeakPolarHBondContact O-CD1 3.42Å; D458-F461 HydrophobicContact CB-CB 4.16Å; D458-F461 WeakPolarHBondContact O-CA 3.4Å; D458-F461 WeakPolarHBondContact O-CB 3.2Å; D458-F461 PolarHBondContact O-N 2.96Å; P459-F461 VanDerWaalsContact C-N 3.33Å; F461-R463 VanDerWaalsContact C-N 3.32Å; F461-R463 PolarHBondContact O-N 2.8Å; F461-G464 PolarHBondContact O-N 3.36Å; F461-W466 HydrophobicContact CD1-CZ2 4.28Å; F461-W466 AromaticContact CD2-CH2 3.43Å; F461-W466 HydrophobicContact CD2-CH2 3.43Å; F461-W466 VanDerWaalsContact CD2-CH2 3.43Å; F461-W466 AromaticContact CD2-CZ2 3.35Å; F461-W466 HydrophobicContact CD2-CZ2 3.35Å; F461-W466 HydrophobicContact CE1-CZ2 4.36Å; F461-W466 AromaticContact CE2-CH2 3.26Å; F461-W466 HydrophobicContact CE2-CH2 3.26Å; F461-W466 AromaticContact CE2-CZ2 3.45Å; F461-W466 HydrophobicContact CE2-CZ2 3.45Å; F461-W466 VanDerWaalsContact CE2-CZ2 3.45Å; F461-W466 HydrophobicContact CE2-CZ3 4.24Å; F461-W466 HydrophobicContact CG-CH2 4.34Å; F461-W466 AromaticContact CG-CZ2 3.81Å; F461-W466 HydrophobicContact CG-CZ2 3.81Å; F461-W466 HydrophobicContact CZ-CH2 4.08Å; F461-W466 AromaticContact CZ-CZ2 3.98Å; F461-W466 HydrophobicContact CZ-CZ2 3.98Å; F461-W466 PolarHBondContact O-NE1 3.38Å
462	K	60.7	Low	56.6	Low	139 Å²	139	76.1 Å²	76.1	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-63.1	-35.5	177.1	-76.5	-178.7	174.2	162.3	0	112.8	D458	D458-K462 PolarHBondContact O-N 3.42Å
463	R	59.5	Low	57.9	Low	167 Å²	167	72.7 Å²	72.7	63%	0.63	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.2	179.4	-61.7	173.6	-158.3	-177.1	6.8	113.6	P459 F461	P459-R463 VanDerWaalsContact O-CB 3.23Å; P459-R463 WeakPolarHBondContact O-CB 3.34Å; P459-R463 WeakPolarHBondContact O-CG 3.4Å; P459-R463 PolarHBondContact O-N 2.85Å; F461-R463 VanDerWaalsContact C-N 3.32Å; F461-R463 PolarHBondContact O-N 2.8Å
464	G	60.7	Low	59.2	Low	19 Å²	19	62.9 Å²	62.9	20%	0.196	31%	0.314	C	S	.	.			trans	-63.7	142.4	179.8	0	0	0	0	0	111.8	D460 F461 W466	D460-G464 WeakPolarHBondContact O-CA 3.44Å; D460-G464 PolarHBondContact O-N 2.65Å; F461-G464 PolarHBondContact O-N 3.36Å; G464-W466 PolarHBondContact O-NE1 3.17Å
465	K	64.6	Low	60.5	Low	23 Å²	23	54.2 Å²	54.2	10%	0.1	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.9	165.1	-67.7	-171.7	176.9	-160.8	0	107.6	W353 A354 R356 G357 A360 L394	W353-K465 PolarHBondContact O-NZ 3.12Å; A354-K465 PolarHBondContact O-NZ 2.63Å; R356-K465 PolarHBondContact O-NZ 3.47Å; G357-K465 VanDerWaalsContact O-CE 3.26Å; G357-K465 WeakPolarHBondContact O-CE 3.36Å; G357-K465 PolarHBondContact O-NZ 2.97Å; G357-K465 VanDerWaalsContact O-NZ 3.09Å; A360-K465 HydrophobicContact CB-CD 4.27Å; L394-K465 HydrophobicContact CB-CB 3.91Å; L394-K465 WeakPolarHBondContact CB-O 3.28Å; L394-K465 HydrophobicContact CD1-CB 4.13Å; L394-K465 PolarHBondContact N-O 3.4Å
466	W	66.3	Low	61.8	Low	22 Å²	22	54.8 Å²	54.8	8%	0.083	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.5	-172.5	-62.7	94.5	0	0	0	111.4	I362 K391 F392 P393 F461 G464 Y468	I362-W466 PolarHBondContact N-O 3.31Å; K391-W466 HydrophobicContact CB-CE3 4.04Å; K391-W466 HydrophobicContact CD-CE3 4.25Å; K391-W466 HydrophobicContact CD-CZ3 4.49Å; K391-W466 HydrophobicContact CG-CE3 3.97Å; K391-W466 HydrophobicContact CG-CZ3 4.21Å; F392-W466 CarbonylContact O-C 3.56Å; F392-W466 WeakPolarHBondContact O-CA 3.11Å; P393-W466 HydrophobicContact CB-CE3 4.22Å; P393-W466 HydrophobicContact CB-CH2 4.17Å; P393-W466 HydrophobicContact CB-CZ3 3.86Å; P393-W466 HydrophobicContact CG-CZ3 4.19Å; F461-W466 HydrophobicContact CD1-CZ2 4.28Å; F461-W466 AromaticContact CD2-CH2 3.43Å; F461-W466 HydrophobicContact CD2-CH2 3.43Å; F461-W466 VanDerWaalsContact CD2-CH2 3.43Å; F461-W466 AromaticContact CD2-CZ2 3.35Å; F461-W466 HydrophobicContact CD2-CZ2 3.35Å; F461-W466 HydrophobicContact CE1-CZ2 4.36Å; F461-W466 AromaticContact CE2-CH2 3.26Å; F461-W466 HydrophobicContact CE2-CH2 3.26Å; F461-W466 AromaticContact CE2-CZ2 3.45Å; F461-W466 HydrophobicContact CE2-CZ2 3.45Å; F461-W466 VanDerWaalsContact CE2-CZ2 3.45Å; F461-W466 HydrophobicContact CE2-CZ3 4.24Å; F461-W466 HydrophobicContact CG-CH2 4.34Å; F461-W466 AromaticContact CG-CZ2 3.81Å; F461-W466 HydrophobicContact CG-CZ2 3.81Å; F461-W466 HydrophobicContact CZ-CH2 4.08Å; F461-W466 AromaticContact CZ-CZ2 3.98Å; F461-W466 HydrophobicContact CZ-CZ2 3.98Å; F461-W466 PolarHBondContact O-NE1 3.38Å; G464-W466 PolarHBondContact O-NE1 3.17Å; W466-Y468 HydrophobicContact CB-CD2 4.26Å; W466-Y468 HydrophobicContact CB-CE1 4.47Å; W466-Y468 HydrophobicContact CB-CE2 3.49Å; W466-Y468 VanDerWaalsContact CB-CE2 3.49Å
467	F	65.5	Low	62.9	Low	2 Å²	2	53.2 Å²	53.2	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.8	171.6	-169.8	-80.6	0	0	0	108.7	L2 Y5 I270 I362 L364 K391 F392 L394	L2-F467 HydrophobicContact CD2-CD2 4.12Å; L2-F467 HydrophobicContact CD2-CE2 4.17Å; Y5-F467 AromaticContact CE1-CE1 3.7Å; Y5-F467 HydrophobicContact CE1-CE1 3.7Å; Y5-F467 AromaticContact CE1-CZ 3.87Å; Y5-F467 HydrophobicContact CE1-CZ 3.87Å; Y5-F467 HydrophobicContact CE2-CD1 4.42Å; Y5-F467 HydrophobicContact CE2-CE1 4.17Å; Y5-F467 AromaticContact CZ-CE1 3.51Å; Y5-F467 WeakPolarHBondContact OH-CE1 3.44Å; I270-F467 HydrophobicContact CD1-CE2 3.72Å; I270-F467 HydrophobicContact CD1-CZ 4.24Å; I362-F467 HydrophobicContact CB-CD2 3.73Å; I362-F467 HydrophobicContact CB-CE2 4.3Å; I362-F467 HydrophobicContact CB-CG 4.45Å; I362-F467 HydrophobicContact CG2-CD2 3.45Å; I362-F467 VanDerWaalsContact CG2-CD2 3.45Å; I362-F467 HydrophobicContact CG2-CE2 3.51Å; I362-F467 HydrophobicContact CG2-CG 4.46Å; I362-F467 CarbonylContact O-C 3.57Å; I362-F467 VanDerWaalsContact O-CA 3.22Å; I362-F467 WeakPolarHBondContact O-CA 3.26Å; L364-F467 HydrophobicContact CB-CE1 3.61Å; L364-F467 HydrophobicContact CB-CZ 3.65Å; L364-F467 HydrophobicContact CD1-CE1 4.09Å; L364-F467 HydrophobicContact CD1-CZ 3.49Å; L364-F467 VanDerWaalsContact CD1-CZ 3.49Å; L364-F467 HydrophobicContact CG-CE1 4.42Å; L364-F467 HydrophobicContact CG-CZ 4.18Å; K391-F467 CarbonylContact C-O 3.44Å; K391-F467 VanDerWaalsContact CA-O 3.27Å; K391-F467 WeakPolarHBondContact CA-O 3.04Å; F392-F467 HydrophobicContact CB-CB 4.24Å; F392-F467 HydrophobicContact CD2-CD1 4.12Å; F392-F467 PolarHBondContact N-O 2.78Å; F392-F467 PolarHBondContact O-N 2.71Å; L394-F467 HydrophobicContact CD1-CB 4.44Å; L394-F467 HydrophobicContact CD2-CB 4.1Å; L394-F467 HydrophobicContact CD2-CD2 4.28Å; L394-F467 HydrophobicContact CG-CB 4.11Å
468	Y	66.5	Low	63.9	Low	39 Å²	39	46.9 Å²	46.9	15%	0.153	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.6	-177.5	-61.1	-91.7	0	0	0	109.8	R361 I362 S363 L364 L390 K391 W466	R361-Y468 HydrophobicContact CB-CD2 4.17Å; R361-Y468 HydrophobicContact CB-CE2 3.78Å; R361-Y468 HydrophobicContact CG-CE2 3.69Å; I362-Y468 PolarHBondContact O-N 3.47Å; S363-Y468 CarbonylContact C-O 3.54Å; S363-Y468 WeakPolarHBondContact CA-O 3.1Å; L364-Y468 PolarHBondContact N-O 2.85Å; L390-Y468 CarbonylContact O-C 3.54Å; L390-Y468 VanDerWaalsContact O-CA 3.3Å; L390-Y468 WeakPolarHBondContact O-CA 3.08Å; K391-Y468 HydrophobicContact CB-CD1 3.93Å; K391-Y468 HydrophobicContact CB-CE1 3.91Å; W466-Y468 HydrophobicContact CB-CD2 4.26Å; W466-Y468 HydrophobicContact CB-CE1 4.47Å; W466-Y468 HydrophobicContact CB-CE2 3.49Å; W466-Y468 VanDerWaalsContact CB-CE2 3.49Å
469	D	64.7	Low	64.8	Low	11 Å²	11	43.9 Å²	43.9	6%	0.059	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.2	168.5	-157.4	7.2	0	0	0	108.3	L389 L390 F392	L389-D469 WeakPolarHBondContact CD2-O 2.79Å; L390-D469 HydrophobicContact CB-CB 3.87Å; L390-D469 HydrophobicContact CD1-CB 4.44Å; L390-D469 PolarHBondContact N-O 3.46Å; L390-D469 PolarHBondContact O-N 2.93Å; F392-D469 HydrophobicContact CE2-CB 4.29Å
470	T	63.7	Low	65.7	Low	5 Å²	5	41.1 Å²	41.1	3%	0.031	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-92.3	146	177.9	63.4	0	0	0	0	110.3	L364 L365 L389	L364-T470 PolarHBondContact O-N 3.08Å; L364-T470 PolarHBondContact O-OG1 2.86Å; L365-T470 WeakPolarHBondContact CA-OG1 3.5Å; L365-T470 HydrophobicContact CD2-CG2 4.34Å; L365-T470 VanDerWaalsContact CD2-OG1 3.28Å; L365-T470 WeakPolarHBondContact CD2-OG1 3.31Å; L365-T470 HydrophobicContact CG-CG2 4.38Å; L389-T470 VanDerWaalsContact CD2-CA 3.5Å; L389-T470 HydrophobicContact CD2-CG2 3.79Å
471	P	56.6	Low	66.8	Low	27 Å²	27	38.9 Å²	38.9	18%	0.175	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-49.2	146.6	171.1	-25.6	32.4	0	0	0	110.8	V249 Y254 I257	V249-P471 HydrophobicContact CG2-CB 4.21Å; V249-P471 HydrophobicContact CG2-CG 4.47Å; Y254-P471 HydrophobicContact CD2-CB 4.36Å; Y254-P471 WeakPolarHBondContact CE2-O 3.49Å; I257-P471 HydrophobicContact CD1-CG 4.23Å
472	G	60.7	Low	67.9	Low	36 Å²	36	38.6 Å²	38.6	37%	0.371	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-63.6	142.4	174.1	0	0	0	0	0	111.1
473	V	65	Low	68.7	Low	7 Å²	7	32.9 Å²	32.9	4%	0.042	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-70.6	134.7	173.5	-161	0	0	0	0	108.9	Y254 F283 C366	Y254-V473 HydrophobicContact CD1-CG1 4.43Å; Y254-V473 HydrophobicContact CE1-CB 4.25Å; Y254-V473 HydrophobicContact CE1-CG1 3.67Å; Y254-V473 HydrophobicContact CE1-CG2 4.21Å; Y254-V473 HydrophobicContact CE2-CB 4.33Å; Y254-V473 HydrophobicContact CE2-CG2 4.22Å; Y254-V473 VanDerWaalsContact CZ-CG2 3.49Å; Y254-V473 WeakPolarHBondContact OH-CG2 3.17Å; F283-V473 HydrophobicContact CB-CG1 4.37Å; F283-V473 HydrophobicContact CD1-CG1 3.97Å; F283-V473 HydrophobicContact CD2-CG1 4.16Å; F283-V473 HydrophobicContact CE1-CG1 4.16Å; F283-V473 HydrophobicContact CE2-CG1 4.4Å; F283-V473 HydrophobicContact CG-CG1 3.94Å; F283-V473 HydrophobicContact CZ-CG1 4.38Å; C366-V473 PolarHBondContact O-N 2.88Å
474	I	63.2	Low	69.4	Low	38 Å²	38	27 Å²	27	20%	0.195	15%	0.153	C	C	.	.			trans	-84	111.6	163.3	-65.6	-176.3	0	0	0	106.6	V249 Q481	V249-I474 WeakPolarHBondContact O-CD1 3.39Å; I474-Q481 HydrophobicContact CG2-CG 4.22Å; I474-Q481 VanDerWaalsContact CG2-OE1 3.27Å
475	N	71.1	Confident	69.8	Low	7 Å²	7	29.3 Å²	29.3	4%	0.037	16%	0.16	C	C	.	.			trans	-95.6	123.7	176.3	-170.6	-24.8	0	0	0	109.8	C280 F282 N477 Q478 Q481	C280-N475 PolarHBondContact O-ND2 2.69Å; F282-N475 PolarHBondContact O-ND2 2.97Å; N475-N477 PolarHBondContact O-N 3.07Å; N475-N477 PolarHBondContact OD1-N 3.47Å; N475-N477 VanDerWaalsContact OD1-N 3.1Å; N475-Q478 HydrophobicContact CB-CG 4.07Å; N475-Q478 PolarHBondContact O-N 3.01Å; N475-Q481 PolarHBondContact O-NE2 2.95Å
476	D	72.8	Confident	70.2	Confident	102 Å²	102	32.1 Å²	32.1	55%	0.545	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.2	-177.7	-64.3	-31.4	0	0	0	113.3	K629	D476-K629 WeakPolarHBondContact O-CD 3.48Å; D476-K629 WeakPolarHBondContact O-CE 3.47Å; D476-K629 PolarHBondContact O-NZ 3.15Å
477	N	76.3	Confident	70.9	Confident	54 Å²	54	31 Å²	31	29%	0.289	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.9	178.3	-68.3	-41.2	0	0	0	114.3	N475 G630 Y632	N475-N477 PolarHBondContact O-N 3.07Å; N475-N477 PolarHBondContact OD1-N 3.47Å; N475-N477 VanDerWaalsContact OD1-N 3.1Å; N477-G630 WeakPolarHBondContact O-CA 3.35Å; N477-G630 PolarHBondContact O-N 2.95Å; N477-Y632 PolarHBondContact ND2-OH 3.02Å
478	Q	74.9	Confident	71.4	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.009	18%	0.176	C	C	.	.			trans	-84.5	123.4	-177.4	-78	180	-21.5	0	0	112.4	D277 N475 L480	D277-Q478 PolarHBondContact OD2-NE2 3.34Å; N475-Q478 HydrophobicContact CB-CG 4.07Å; N475-Q478 PolarHBondContact O-N 3.01Å; Q478-L480 PolarHBondContact O-N 2.63Å
479	V	81	Confident	71.9	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-66.7	-23.9	178.1	178.9	0	0	0	0	112.2	Q481 L482 L483 I605 P626	V479-Q481 PolarHBondContact O-N 3.49Å; V479-L482 WeakPolarHBondContact O-CB 3.13Å; V479-L482 PolarHBondContact O-N 3.26Å; V479-L483 HydrophobicContact CG1-CG 4.5Å; V479-I605 HydrophobicContact CG1-CD1 4.35Å; V479-I605 HydrophobicContact CG1-CG1 4.48Å; V479-I605 HydrophobicContact CG2-CD1 4.41Å; V479-P626 HydrophobicContact CG1-CB 4.44Å; V479-P626 HydrophobicContact CG1-CG 3.78Å
480	L	79	Confident	72.7	Confident	11 Å²	11	34.4 Å²	34.4	6%	0.058	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-53.8	-31	-178.2	-64	-179.5	0	0	0	113.7	R369 Q478 L482 L483 L488 M492 S604	R369-L480 HydrophobicContact CB-CD1 4.46Å; R369-L480 PolarHBondContact NH1-O 2.92Å; Q478-L480 PolarHBondContact O-N 2.63Å; L480-L482 PolarHBondContact O-N 2.83Å; L480-L483 HydrophobicContact CD2-CD1 4.31Å; L480-L483 PolarHBondContact O-N 2.95Å; L480-L488 HydrophobicContact CB-CD1 4.49Å; L480-L488 HydrophobicContact CD2-CD1 3.48Å; L480-L488 VanDerWaalsContact CD2-CD1 3.48Å; L480-L488 HydrophobicContact CG-CD1 4.37Å; L480-M492 HydrophobicContact CD1-SD 4.35Å; L480-M492 HydrophobicContact CD2-SD 3.91Å; L480-S604 WeakPolarHBondContact CD1-OG 3.2Å; L480-S604 VanDerWaalsContact CG-OG 3.27Å; L480-S604 WeakPolarHBondContact CG-OG 3.35Å
481	Q	74.4	Confident	73.6	Confident	56 Å²	56	34.1 Å²	34.1	26%	0.262	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-67.8	-25.1	-179.2	-69.4	162.1	31.7	0	0	112.9	R369 I474 N475 V479 L483	R369-Q481 VanDerWaalsContact NH2-CG 3.26Å; I474-Q481 HydrophobicContact CG2-CG 4.22Å; I474-Q481 VanDerWaalsContact CG2-OE1 3.27Å; N475-Q481 PolarHBondContact O-NE2 2.95Å; V479-Q481 PolarHBondContact O-N 3.49Å; Q481-L483 VanDerWaalsContact C-N 3.3Å
482	L	78.9	Confident	74.6	Confident	43 Å²	43	34.1 Å²	34.1	23%	0.225	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-84.8	-9.5	-179.9	-53.7	173.6	0	0	0	112.1	V479 L480 R572 P577 P626 L627	V479-L482 WeakPolarHBondContact O-CB 3.13Å; V479-L482 PolarHBondContact O-N 3.26Å; L480-L482 PolarHBondContact O-N 2.83Å; L482-R572 PolarHBondContact O-NH2 3.23Å; L482-P577 HydrophobicContact CB-CG 4.45Å; L482-P577 HydrophobicContact CD1-CG 3.87Å; L482-P577 HydrophobicContact CD2-CG 4.2Å; L482-P577 HydrophobicContact CG-CG 4.4Å; L482-P626 HydrophobicContact CD1-CB 3.73Å; L482-L627 HydrophobicContact CD1-CD1 4.31Å; L482-L627 HydrophobicContact CD2-CD1 4.42Å
483	L	77.8	Confident	75.3	Confident	19 Å²	19	33.4 Å²	33.4	10%	0.099	17%	0.174	C	C	.	.	S	Bend	trans	-97.9	140.6	-174.7	-57.2	-176.5	0	0	0	111.7	V479 L480 Q481 E487 T491 L515 V565 F576	V479-L483 HydrophobicContact CG1-CG 4.5Å; L480-L483 HydrophobicContact CD2-CD1 4.31Å; L480-L483 PolarHBondContact O-N 2.95Å; Q481-L483 VanDerWaalsContact C-N 3.3Å; L483-E487 VanDerWaalsContact CA-OE2 3.28Å; L483-E487 WeakPolarHBondContact CA-OE2 3.27Å; L483-E487 HydrophobicContact CB-CB 3.99Å; L483-E487 HydrophobicContact CD2-CB 4.32Å; L483-T491 HydrophobicContact CD1-CG2 3.77Å; L483-L515 HydrophobicContact CD2-CD2 3.72Å; L483-V565 HydrophobicContact CD2-CG1 4.25Å; L483-F576 HydrophobicContact CD2-CE2 4.09Å
484	T	74.5	Confident	75.5	Confident	43 Å²	43	39.3 Å²	39.3	26%	0.264	20%	0.196	S	C	.	.			trans	-70.6	170.5	167.7	73.1	0	0	0	0	110.5	E486 E487 L488 R572	T484-E486 VanDerWaalsContact C-N 3.32Å; T484-E486 PolarHBondContact O-N 2.87Å; T484-E487 PolarHBondContact N-OE2 3.09Å; T484-E487 PolarHBondContact O-N 3.06Å; T484-E487 VanDerWaalsContact OG1-CG 3.28Å; T484-E487 WeakPolarHBondContact OG1-CG 3.46Å; T484-E487 PolarHBondContact OG1-N 2.71Å; T484-L488 VanDerWaalsContact O-CB 3.28Å; T484-L488 WeakPolarHBondContact O-CB 3.28Å; T484-L488 PolarHBondContact O-N 3.31Å; T484-R572 HydrophobicContact CG2-CG 4.19Å
485	L	69	Low	75.8	Confident	68 Å²	68	40.5 Å²	40.5	36%	0.356	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-39.7	177.8	-164.4	63.7	0	0	0	113.3	F243 L488 I489	F243-L485 HydrophobicContact CD1-CD2 4.49Å; F243-L485 HydrophobicContact CE1-CD1 3.46Å; F243-L485 VanDerWaalsContact CE1-CD1 3.46Å; F243-L485 HydrophobicContact CE1-CD2 3.36Å; F243-L485 HydrophobicContact CE1-CG 3.56Å; F243-L485 HydrophobicContact CZ-CD1 3.25Å; F243-L485 HydrophobicContact CZ-CD2 3.74Å; F243-L485 HydrophobicContact CZ-CG 3.37Å; L485-L488 PolarHBondContact O-N 2.95Å; L485-I489 WeakPolarHBondContact O-CG1 3.28Å; L485-I489 PolarHBondContact O-N 3.38Å
486	E	72.4	Confident	75.8	Confident	82 Å²	82	43.1 Å²	43.1	38%	0.383	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-44.5	176.9	-66.6	174.3	-158.9	0	0	111.1	Y182 T484 L488 I489 L490	Y182-E486 PolarHBondContact OH-OE1 2.8Å; T484-E486 VanDerWaalsContact C-N 3.32Å; T484-E486 PolarHBondContact O-N 2.87Å; E486-L488 VanDerWaalsContact C-N 3.34Å; E486-L488 PolarHBondContact O-N 2.79Å; E486-I489 WeakPolarHBondContact O-CB 3.36Å; E486-I489 PolarHBondContact O-N 3.22Å; E486-L490 PolarHBondContact O-N 2.94Å
487	E	80.3	Confident	76.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-39.3	176.6	-64.9	172.6	157.7	0	0	111.2	L483 T484 I489 L490 T491 V565 P566 C567 R572	L483-E487 VanDerWaalsContact CA-OE2 3.28Å; L483-E487 WeakPolarHBondContact CA-OE2 3.27Å; L483-E487 HydrophobicContact CB-CB 3.99Å; L483-E487 HydrophobicContact CD2-CB 4.32Å; T484-E487 PolarHBondContact N-OE2 3.09Å; T484-E487 PolarHBondContact O-N 3.06Å; T484-E487 VanDerWaalsContact OG1-CG 3.28Å; T484-E487 WeakPolarHBondContact OG1-CG 3.46Å; T484-E487 PolarHBondContact OG1-N 2.71Å; E487-I489 VanDerWaalsContact C-N 3.33Å; E487-I489 PolarHBondContact O-N 2.74Å; E487-L490 PolarHBondContact O-N 3.27Å; E487-T491 WeakPolarHBondContact O-CG2 3.38Å; E487-T491 PolarHBondContact O-N 2.75Å; E487-T491 PolarHBondContact O-OG1 3.21Å; E487-V565 HydrophobicContact CB-CG1 3.71Å; E487-V565 HydrophobicContact CB-CG2 4.43Å; E487-V565 HydrophobicContact CG-CG1 3.8Å; E487-P566 WeakPolarHBondContact OE1-CA 3.19Å; E487-P566 WeakPolarHBondContact OE1-CB 3.29Å; E487-C567 VanDerWaalsContact CG-SG 3.51Å; E487-C567 PolarHBondContact OE1-N 3.37Å; E487-R572 IonicContact OE1-NE 3.12Å; E487-R572 IonicContact OE1-NH2 3.71Å; E487-R572 IonicContact OE2-CZ 2.7Å; E487-R572 IonicContact OE2-NE 3.17Å; E487-R572 IonicContact OE2-NH2 3.99Å; E487-R572 PolarHBondContact OE2-NH2 3.15Å
488	L	77	Confident	76.4	Confident	28 Å²	28	41.8 Å²	41.8	15%	0.147	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-41.1	176.2	-173.5	68.7	0	0	0	111.7	L480 T484 L485 E486 L490 T491 M492	L480-L488 HydrophobicContact CB-CD1 4.49Å; L480-L488 HydrophobicContact CD2-CD1 3.48Å; L480-L488 VanDerWaalsContact CD2-CD1 3.48Å; L480-L488 HydrophobicContact CG-CD1 4.37Å; T484-L488 VanDerWaalsContact O-CB 3.28Å; T484-L488 WeakPolarHBondContact O-CB 3.28Å; T484-L488 PolarHBondContact O-N 3.31Å; L485-L488 PolarHBondContact O-N 2.95Å; E486-L488 VanDerWaalsContact C-N 3.34Å; E486-L488 PolarHBondContact O-N 2.79Å; L488-L490 PolarHBondContact O-N 2.78Å; L488-T491 VanDerWaalsContact CA-OG1 3.28Å; L488-T491 WeakPolarHBondContact CA-OG1 3.1Å; L488-T491 PolarHBondContact O-N 3.42Å; L488-T491 PolarHBondContact O-OG1 3.44Å; L488-T491 VanDerWaalsContact O-OG1 3.13Å; L488-M492 HydrophobicContact CD1-CG 3.56Å; L488-M492 HydrophobicContact CD1-SD 4.08Å; L488-M492 HydrophobicContact CG-CG 3.9Å; L488-M492 VanDerWaalsContact O-CB 3.3Å; L488-M492 WeakPolarHBondContact O-CB 3.44Å; L488-M492 WeakPolarHBondContact O-CG 3.41Å; L488-M492 PolarHBondContact O-N 3.04Å
489	I	75.6	Confident	77.1	Confident	53 Å²	53	43.1 Å²	43.1	27%	0.272	22%	0.216	S	C	.	.	H	α-helix	trans	-58.2	-38.2	176.7	-81.9	165.9	0	0	0	111.9	F243 L485 E486 E487	F243-I489 HydrophobicContact CD2-CD1 4.42Å; F243-I489 HydrophobicContact CE2-CD1 3.54Å; F243-I489 HydrophobicContact CE2-CG1 3.52Å; F243-I489 HydrophobicContact CZ-CD1 3.83Å; F243-I489 HydrophobicContact CZ-CG1 4.02Å; L485-I489 WeakPolarHBondContact O-CG1 3.28Å; L485-I489 PolarHBondContact O-N 3.38Å; E486-I489 WeakPolarHBondContact O-CB 3.36Å; E486-I489 PolarHBondContact O-N 3.22Å; E487-I489 VanDerWaalsContact C-N 3.33Å; E487-I489 PolarHBondContact O-N 2.74Å
490	L	82	Confident	77.5	Confident	41 Å²	41	45.3 Å²	45.3	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-81	-38.2	-177.6	-64.4	171.2	0	0	0	112.2	E486 E487 L488 S534 C536 L564 V565	E486-L490 PolarHBondContact O-N 2.94Å; E487-L490 PolarHBondContact O-N 3.27Å; L488-L490 PolarHBondContact O-N 2.78Å; L490-S534 VanDerWaalsContact O-CB 3.28Å; L490-S534 WeakPolarHBondContact O-CB 3.04Å; L490-S534 PolarHBondContact O-OG 3.17Å; L490-C536 HydrophobicContact CB-CB 4.48Å; L490-C536 HydrophobicContact CD2-CB 4.15Å; L490-C536 WeakPolarHBondContact O-CB 3.4Å; L490-L564 HydrophobicContact CD1-CB 4.3Å; L490-L564 WeakPolarHBondContact CD1-O 3.17Å; L490-V565 HydrophobicContact CB-CG2 3.72Å; L490-V565 HydrophobicContact CD1-CG2 3.78Å; L490-V565 HydrophobicContact CG-CG2 4.41Å
491	T	83.2	Confident	78.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-75.7	-38.4	-178.6	48.6	0	0	0	0	113.4	L483 E487 L488 P493 L515 S534 L537 V565	L483-T491 HydrophobicContact CD1-CG2 3.77Å; E487-T491 WeakPolarHBondContact O-CG2 3.38Å; E487-T491 PolarHBondContact O-N 2.75Å; E487-T491 PolarHBondContact O-OG1 3.21Å; L488-T491 VanDerWaalsContact CA-OG1 3.28Å; L488-T491 WeakPolarHBondContact CA-OG1 3.1Å; L488-T491 PolarHBondContact O-N 3.42Å; L488-T491 PolarHBondContact O-OG1 3.44Å; L488-T491 VanDerWaalsContact O-OG1 3.13Å; T491-P493 WeakPolarHBondContact O-CD 3.5Å; T491-L515 HydrophobicContact CG2-CD1 3.25Å; T491-S534 VanDerWaalsContact O-CB 3.24Å; T491-S534 WeakPolarHBondContact O-CB 3.3Å; T491-L537 HydrophobicContact CG2-CD1 4.16Å; T491-L537 HydrophobicContact CG2-CD2 3.92Å; T491-V565 HydrophobicContact CG2-CG1 4.22Å; T491-V565 HydrophobicContact CG2-CG2 4.25Å
492	M	78	Confident	79.1	Confident	27 Å²	27	49.9 Å²	49.9	13%	0.133	24%	0.243	C	C	.	.	S	Bend	trans	-73.9	124.1	-178.1	-66	-58.5	-68.4	0	0	110.9	F370 L480 L488 R494 N651	F370-M492 HydrophobicContact CD2-CE 4.05Å; F370-M492 HydrophobicContact CE2-CE 3.4Å; F370-M492 HydrophobicContact CZ-CE 4.4Å; L480-M492 HydrophobicContact CD1-SD 4.35Å; L480-M492 HydrophobicContact CD2-SD 3.91Å; L488-M492 HydrophobicContact CD1-CG 3.56Å; L488-M492 HydrophobicContact CD1-SD 4.08Å; L488-M492 HydrophobicContact CG-CG 3.9Å; L488-M492 VanDerWaalsContact O-CB 3.3Å; L488-M492 WeakPolarHBondContact O-CB 3.44Å; L488-M492 WeakPolarHBondContact O-CG 3.41Å; L488-M492 PolarHBondContact O-N 3.04Å; M492-R494 PolarHBondContact O-N 3.37Å; M492-N651 HydrophobicContact CE-CB 4.22Å; M492-N651 WeakPolarHBondContact CE-ND2 3.27Å
493	P	74.5	Confident	79.8	Confident	20 Å²	20	52.4 Å²	52.4	13%	0.13	26%	0.257	C	S	.	.			trans	-65.7	135.5	-179.3	24	-30.8	0	0	0	110.8	T491 L497 S650 N651	T491-P493 WeakPolarHBondContact O-CD 3.5Å; P493-L497 HydrophobicContact CB-CD2 3.55Å; P493-L497 HydrophobicContact CB-CG 4.09Å; P493-L497 HydrophobicContact CG-CD1 4.48Å; P493-L497 HydrophobicContact CG-CD2 4.24Å; P493-L497 HydrophobicContact CG-CG 4.46Å; P493-S650 VanDerWaalsContact C-CB 3.42Å; P493-S650 WeakPolarHBondContact O-CB 3.2Å; P493-S650 PolarHBondContact O-OG 3.34Å; P493-N651 PolarHBondContact O-N 3.24Å
494	R	69.1	Low	80.5	Confident	132 Å²	132	51.5 Å²	51.5	50%	0.498	25%	0.252	S	S	.	.			trans	-106.7	-22.3	178.3	-68.5	-179.9	176.6	-158.8	-9.8	113.9	M492 S650 T652	M492-R494 PolarHBondContact O-N 3.37Å; R494-S650 WeakPolarHBondContact CA-OG 3.37Å; R494-S650 PolarHBondContact N-OG 3.31Å; R494-S650 PolarHBondContact O-OG 2.77Å; R494-S650 VanDerWaalsContact O-OG 3.06Å; R494-T652 HydrophobicContact CB-CG2 3.71Å; R494-T652 HydrophobicContact CG-CG2 4.14Å; R494-T652 WeakPolarHBondContact O-CG2 3.42Å; R494-T652 PolarHBondContact O-OG1 3.46Å
495	S	69.3	Low	81.4	Confident	63 Å²	63	55.8 Å²	55.8	44%	0.441	27%	0.267	S	S	.	.	S	Bend	trans	-118.5	173.9	173.9	49	0	0	0	0	111.2	L497 S650	S495-L497 PolarHBondContact O-N 2.91Å; S495-S650 PolarHBondContact N-OG 2.89Å; S495-S650 VanDerWaalsContact O-CB 3.23Å; S495-S650 WeakPolarHBondContact O-CB 3.19Å; S495-S650 PolarHBondContact O-OG 3.47Å; S495-S650 VanDerWaalsContact O-OG 3.07Å
496	M	70.9	Confident	82.6	Confident	61 Å²	61	55 Å²	55	30%	0.3	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-52.5	128.2	168.2	-173.4	176.5	92.6	0	0	111.2	K498 Y645 L646 V647 I648	M496-K498 PolarHBondContact O-N 3.28Å; M496-Y645 HydrophobicContact CE-CD1 4.24Å; M496-Y645 HydrophobicContact CE-CG 4.39Å; M496-L646 WeakPolarHBondContact CG-O 3.1Å; M496-V647 VanDerWaalsContact SD-CA 3.59Å; M496-V647 HydrophobicContact SD-CB 4.05Å; M496-V647 HydrophobicContact SD-CG1 4.19Å; M496-V647 HydrophobicContact SD-CG2 3.75Å; M496-I648 WeakPolarHBondContact CA-O 3.47Å
497	L	80.9	Confident	83.6	Confident	5 Å²	5	53 Å²	53	3%	0.026	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-69.4	121.4	177.1	-71.1	-176.4	0	0	0	110.4	P493 S495 A533 W607 I648	P493-L497 HydrophobicContact CB-CD2 3.55Å; P493-L497 HydrophobicContact CB-CG 4.09Å; P493-L497 HydrophobicContact CG-CD1 4.48Å; P493-L497 HydrophobicContact CG-CD2 4.24Å; P493-L497 HydrophobicContact CG-CG 4.46Å; S495-L497 PolarHBondContact O-N 2.91Å; L497-A533 VanDerWaalsContact CD2-O 3.32Å; L497-A533 WeakPolarHBondContact CD2-O 3.36Å; L497-W607 HydrophobicContact CD1-CH2 3.65Å; L497-W607 HydrophobicContact CD1-CZ3 3.71Å; L497-I648 HydrophobicContact CB-CD1 4.18Å; L497-I648 HydrophobicContact CD1-CD1 3.71Å; L497-I648 HydrophobicContact CG-CD1 4.11Å
498	K	82	Confident	84.3	Confident	123 Å²	123	53.7 Å²	53.7	54%	0.535	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-93.4	134.4	173.3	-64.7	177.1	-177.6	176.1	0	109.3	M496 R500	M496-K498 PolarHBondContact O-N 3.28Å; K498-R500 PolarHBondContact O-N 3Å
499	P	88.4	Confident	85.2	Confident	30 Å²	30	52.3 Å²	52.3	20%	0.195	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-63	131.4	172.2	25.2	-31.5	0	0	0	109.9	Y532	P499-Y532 HydrophobicContact CB-CD1 4.33Å; P499-Y532 HydrophobicContact CB-CE1 3.6Å; P499-Y532 HydrophobicContact CG-CE1 4.25Å
500	R	90.9	Very high	86.1	Confident	46 Å²	46	50 Å²	50	17%	0.174	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.9	168.9	-65.9	-178.9	-79	175.5	-8.4	108.8	K498 Y502 V531 A533 S534 L537 I539	K498-R500 PolarHBondContact O-N 3Å; R500-Y502 HydrophobicContact CB-CE2 3.66Å; R500-V531 PolarHBondContact N-O 3.39Å; R500-V531 PolarHBondContact O-N 2.78Å; R500-A533 PolarHBondContact NH2-O 2.95Å; R500-S534 PolarHBondContact NH2-O 3.12Å; R500-L537 PolarHBondContact NH1-O 2.79Å; R500-L537 PolarHBondContact NH2-O 2.78Å; R500-I539 HydrophobicContact CB-CD1 4.27Å
501	E	92.6	Very high	86.7	Confident	99 Å²	99	48.1 Å²	48.1	46%	0.463	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.9	-169.3	-50.5	-166.1	170.4	0	0	111.3	L528 V529 K530	E501-L528 HydrophobicContact CB-CD1 4.26Å; E501-V529 WeakPolarHBondContact CA-O 3.27Å; E501-K530 HydrophobicContact CG-CD 4.17Å; E501-K530 HydrophobicContact CG-CG 4.01Å; E501-K530 WeakPolarHBondContact OE1-CD 3.42Å; E501-K530 WeakPolarHBondContact OE1-CE 3.28Å; E501-K530 IonicContact OE1-NZ 2.58Å; E501-K530 PolarHBondContact OE1-NZ 2.67Å; E501-K530 IonicContact OE2-NZ 2.87Å
502	Y	93.9	Very high	87.2	Confident	65 Å²	65	48.2 Å²	48.2	26%	0.255	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.8	-178.9	-61.6	-86	0	0	0	110.5	R500 L510 V529 V531 I539 V541	R500-Y502 HydrophobicContact CB-CE2 3.66Å; Y502-L510 HydrophobicContact CD2-CD1 3.97Å; Y502-L510 HydrophobicContact CG-CD1 4.14Å; Y502-V529 PolarHBondContact N-O 2.84Å; Y502-V529 PolarHBondContact O-N 3.28Å; Y502-V531 HydrophobicContact CD2-CG2 4.26Å; Y502-I539 HydrophobicContact CD2-CG2 4.19Å; Y502-I539 HydrophobicContact CE1-CG2 4.06Å; Y502-I539 HydrophobicContact CE2-CB 4.13Å; Y502-I539 HydrophobicContact CE2-CD1 3.63Å; Y502-I539 HydrophobicContact CE2-CG1 4.48Å; Y502-I539 HydrophobicContact CE2-CG2 3.64Å; Y502-V541 HydrophobicContact CD1-CG2 3.65Å; Y502-V541 HydrophobicContact CE1-CG2 4.33Å; Y502-V541 HydrophobicContact CG-CG2 4.01Å
503	L	93	Very high	87.7	Confident	96 Å²	96	46.9 Å²	46.9	50%	0.503	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	108.6	173.6	-172.4	70.5	0	0	0	109.3	P526	L503-P526 HydrophobicContact CD1-CB 3.85Å; L503-P526 HydrophobicContact CD1-CG 4.46Å; L503-P526 HydrophobicContact CD2-CB 4.22Å; L503-P526 HydrophobicContact CG-CB 3.96Å
504	L	93.5	Very high	88.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.6	-179.4	-162.9	67.8	0	0	0	109.9	S508 L510 K520 P526 V527 V529 V541	L504-S508 VanDerWaalsContact CD1-OG 3.26Å; L504-S508 WeakPolarHBondContact CD1-OG 3.42Å; L504-L510 HydrophobicContact CD1-CB 4.2Å; L504-K520 HydrophobicContact CD2-CB 3.62Å; L504-K520 HydrophobicContact CG-CB 3.84Å; L504-P526 WeakPolarHBondContact O-CA 3.26Å; L504-V527 PolarHBondContact N-O 3.47Å; L504-V527 PolarHBondContact O-N 2.97Å; L504-V529 HydrophobicContact CB-CG2 3.97Å; L504-V529 HydrophobicContact CD2-CG2 4.38Å; L504-V541 HydrophobicContact CD1-CG1 4.19Å
505	K	93.4	Very high	89.4	Confident	132 Å²	132	39.7 Å²	39.7	57%	0.574	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-88.2	153.7	176.9	-64.1	-179.3	-178.9	178.4	0	110.1	G507 S508 P526	K505-G507 PolarHBondContact O-N 3.1Å; K505-S508 PolarHBondContact N-OG 2.78Å; K505-S508 WeakPolarHBondContact O-CB 3.23Å; K505-S508 PolarHBondContact O-N 3.01Å; K505-S508 VanDerWaalsContact O-N 3.09Å; K505-S508 PolarHBondContact O-OG 2.9Å; K505-P526 HydrophobicContact CG-CB 4.21Å
506	P	93.6	Very high	90.5	Very high	52 Å²	52	36.8 Å²	36.8	34%	0.338	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	137.2	165.8	-20.7	30.2	0	0	0	111	S508 K520 G523	P506-S508 VanDerWaalsContact C-N 3.34Å; P506-K520 CarbonylContact C-O 3.57Å; P506-G523 WeakPolarHBondContact CB-O 3.48Å; P506-G523 WeakPolarHBondContact CG-O 3.17Å
507	G	93.5	Very high	91.7	Very high	40 Å²	40	34.5 Å²	34.5	41%	0.412	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	11.2	-174.4	0	0	0	0	0	115.2	K505 K520 S544	K505-G507 PolarHBondContact O-N 3.1Å; G507-K520 PolarHBondContact N-O 2.79Å; G507-S544 PolarHBondContact O-N 2.88Å; G507-S544 PolarHBondContact O-OG 2.82Å
508	S	95.2	Very high	92.4	Very high	14 Å²	14	34.4 Å²	34.4	10%	0.098	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156.4	175.7	69	0	0	0	0	112.9	L504 K505 P506 K520 M542 S544	L504-S508 VanDerWaalsContact CD1-OG 3.26Å; L504-S508 WeakPolarHBondContact CD1-OG 3.42Å; K505-S508 PolarHBondContact N-OG 2.78Å; K505-S508 WeakPolarHBondContact O-CB 3.23Å; K505-S508 PolarHBondContact O-N 3.01Å; K505-S508 VanDerWaalsContact O-N 3.09Å; K505-S508 PolarHBondContact O-OG 2.9Å; P506-S508 VanDerWaalsContact C-N 3.34Å; S508-K520 PolarHBondContact O-N 3.33Å; S508-M542 CarbonylContact C-O 3.57Å; S508-M542 WeakPolarHBondContact CA-O 3.29Å; S508-M542 WeakPolarHBondContact CB-O 3.21Å; S508-S544 VanDerWaalsContact C-OG 3.25Å; S508-S544 WeakPolarHBondContact CA-OG 3.33Å; S508-S544 PolarHBondContact N-OG 2.79Å; S508-S544 PolarHBondContact O-OG 2.71Å
509	S	95.5	Very high	93	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.9	-174.8	-64.9	0	0	0	0	110.8	I518 D519 V541 M542 S544	S509-I518 CarbonylContact C-O 3.55Å; S509-I518 WeakPolarHBondContact CA-O 3.42Å; S509-D519 WeakPolarHBondContact CB-OD1 3.47Å; S509-D519 VanDerWaalsContact OG-CG 3.3Å; S509-D519 PolarHBondContact OG-OD1 3.24Å; S509-V541 WeakPolarHBondContact O-CA 3.24Å; S509-M542 PolarHBondContact N-O 3.04Å; S509-M542 PolarHBondContact O-N 3.41Å; S509-S544 WeakPolarHBondContact OG-CA 3.36Å; S509-S544 WeakPolarHBondContact OG-CB 3.14Å; S509-S544 PolarHBondContact OG-OG 3.24Å
510	L	95.8	Very high	93.3	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.8	169.9	-174.9	153	0	0	0	108.9	Y502 L504 R517 I518 V531 I539 F540 V541	Y502-L510 HydrophobicContact CD2-CD1 3.97Å; Y502-L510 HydrophobicContact CG-CD1 4.14Å; L504-L510 HydrophobicContact CD1-CB 4.2Å; L510-R517 CarbonylContact O-C 3.53Å; L510-R517 VanDerWaalsContact O-CA 3.29Å; L510-R517 WeakPolarHBondContact O-CA 3.17Å; L510-I518 PolarHBondContact N-O 3.41Å; L510-I518 PolarHBondContact O-N 3.29Å; L510-V531 HydrophobicContact CD1-CG2 3.74Å; L510-V531 HydrophobicContact CD2-CG2 4.14Å; L510-I539 HydrophobicContact CD1-CG2 4.21Å; L510-I539 HydrophobicContact CD2-CG2 4Å; L510-I539 HydrophobicContact CG-CG2 3.89Å; L510-F540 CarbonylContact C-O 3.57Å; L510-F540 WeakPolarHBondContact CA-O 3.4Å; L510-V541 HydrophobicContact CB-CG2 4.4Å; L510-V541 HydrophobicContact CD1-CG2 4.25Å; L510-V541 HydrophobicContact CG-CG2 4.17Å
511	L	93.9	Very high	93.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.6	172.1	-65.3	93.2	0	0	0	110.2	A516 R517 I539 F540 M542 V547 Y551 F563	L511-A516 CarbonylContact C-O 3.57Å; L511-A516 WeakPolarHBondContact CA-O 3.38Å; L511-R517 HydrophobicContact CG-CB 4.31Å; L511-R517 HydrophobicContact CG-CG 4.48Å; L511-I539 CarbonylContact O-C 3.58Å; L511-I539 VanDerWaalsContact O-CA 3.24Å; L511-I539 WeakPolarHBondContact O-CA 3.42Å; L511-F540 HydrophobicContact CB-CB 4.31Å; L511-F540 PolarHBondContact N-O 2.84Å; L511-F540 PolarHBondContact O-N 2.8Å; L511-M542 HydrophobicContact CD1-CG 4.05Å; L511-M542 HydrophobicContact CD1-SD 3.82Å; L511-V547 HydrophobicContact CD1-CG1 4Å; L511-V547 HydrophobicContact CD1-CG2 4.16Å; L511-V547 HydrophobicContact CD2-CG1 3.89Å; L511-V547 HydrophobicContact CG-CG1 4.28Å; L511-Y551 HydrophobicContact CD2-CD2 4.18Å; L511-F563 HydrophobicContact CD2-CE1 4.27Å; L511-F563 HydrophobicContact CD2-CZ 4.37Å
512	L	92.4	Very high	92.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	100.8	172.7	177.8	64.6	0	0	0	108.2	L515 A516 V531 A533 L537 I539 L602 I605	L512-L515 PolarHBondContact O-N 3.45Å; L512-A516 HydrophobicContact CB-CB 4.39Å; L512-A516 PolarHBondContact N-O 3.34Å; L512-A516 PolarHBondContact O-N 3.47Å; L512-A516 VanDerWaalsContact O-N 3.13Å; L512-V531 HydrophobicContact CD1-CG1 4.49Å; L512-V531 HydrophobicContact CD2-CG1 4.34Å; L512-A533 HydrophobicContact CD1-CB 3.91Å; L512-A533 HydrophobicContact CD2-CB 3.67Å; L512-A533 HydrophobicContact CG-CB 4.41Å; L512-L537 HydrophobicContact CD1-CB 3.88Å; L512-L537 HydrophobicContact CD1-CD1 4.48Å; L512-L537 HydrophobicContact CG-CD1 4.48Å; L512-I539 HydrophobicContact CD1-CD1 3.97Å; L512-I539 HydrophobicContact CD1-CG1 3.44Å; L512-I539 VanDerWaalsContact CD1-CG1 3.44Å; L512-L602 HydrophobicContact CD2-CD1 4.22Å; L512-I605 HydrophobicContact CD2-CG2 3.48Å; L512-I605 VanDerWaalsContact CD2-CG2 3.48Å; L512-I605 HydrophobicContact CG-CG2 4.07Å
513	A	89.8	Confident	92.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	-155.1	-165.7	0	0	0	0	0	111	L515 L537 P538 F563 V565	A513-L515 HydrophobicContact CB-CG 4.37Å; A513-L515 PolarHBondContact O-N 2.86Å; A513-L537 HydrophobicContact CB-CB 4.46Å; A513-L537 HydrophobicContact CB-CD2 4.01Å; A513-P538 HydrophobicContact CB-CG 4.49Å; A513-P538 PolarHBondContact N-O 2.92Å; A513-F563 WeakPolarHBondContact CB-O 3.36Å; A513-F563 WeakPolarHBondContact O-CD1 3.41Å; A513-F563 VanDerWaalsContact O-CE1 3.29Å; A513-F563 WeakPolarHBondContact O-CE1 3.3Å; A513-V565 HydrophobicContact CB-CB 4.48Å
514	G	87.9	Confident	91.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	20.4	169.3	0	0	0	0	0	112.2	Y551 V565	G514-Y551 PolarHBondContact O-OH 3.49Å; G514-Y551 VanDerWaalsContact O-OH 3.12Å; G514-V565 VanDerWaalsContact CA-O 3.26Å; G514-V565 WeakPolarHBondContact CA-O 3.48Å; G514-V565 PolarHBondContact N-O 2.9Å
515	L	90.2	Very high	91.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-31.8	-171.4	-67.3	179	0	0	0	113.4	L483 T491 L512 A513 L537 V565 F576 I605 P626	L483-L515 HydrophobicContact CD2-CD2 3.72Å; T491-L515 HydrophobicContact CG2-CD1 3.25Å; L512-L515 PolarHBondContact O-N 3.45Å; A513-L515 HydrophobicContact CB-CG 4.37Å; A513-L515 PolarHBondContact O-N 2.86Å; L515-L537 HydrophobicContact CD1-CD1 4.48Å; L515-L537 HydrophobicContact CD1-CD2 4.43Å; L515-V565 HydrophobicContact CD1-CB 4.03Å; L515-V565 HydrophobicContact CD1-CG1 3.66Å; L515-V565 HydrophobicContact CD2-CG1 3.7Å; L515-V565 HydrophobicContact CG-CB 4.18Å; L515-V565 HydrophobicContact CG-CG1 3.78Å; L515-F576 HydrophobicContact CD2-CE2 4.2Å; L515-F576 HydrophobicContact CD2-CZ 3.8Å; L515-I605 HydrophobicContact CB-CD1 3.79Å; L515-I605 HydrophobicContact CB-CG1 4.18Å; L515-I605 HydrophobicContact CB-CG2 4.21Å; L515-I605 HydrophobicContact CD1-CG1 4.23Å; L515-I605 HydrophobicContact CD1-CG2 4.22Å; L515-P626 VanDerWaalsContact O-CD 3.29Å; L515-P626 WeakPolarHBondContact O-CD 3.1Å
516	A	93.8	Very high	91.5	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.6	178.6	0	0	0	0	0	112.3	L511 L512 L602 I605 W624 T625	L511-A516 CarbonylContact C-O 3.57Å; L511-A516 WeakPolarHBondContact CA-O 3.38Å; L512-A516 HydrophobicContact CB-CB 4.39Å; L512-A516 PolarHBondContact N-O 3.34Å; L512-A516 PolarHBondContact O-N 3.47Å; L512-A516 VanDerWaalsContact O-N 3.13Å; A516-L602 HydrophobicContact CB-CD1 3.7Å; A516-L602 HydrophobicContact CB-CD2 4.27Å; A516-L602 HydrophobicContact CB-CG 4.44Å; A516-I605 HydrophobicContact CB-CD1 4.21Å; A516-W624 WeakPolarHBondContact CA-O 3.38Å; A516-T625 HydrophobicContact CB-CG2 4.43Å
517	R	94.5	Very high	91.3	Very high	13 Å²	13	27.8 Å²	27.8	5%	0.049	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.1	174.4	161.1	-166.4	176.4	166.9	2	108.9	F108 L510 L511 D519 V547 N548 V623 W624	F108-R517 VanDerWaalsContact CE2-NH1 3.33Å; L510-R517 CarbonylContact O-C 3.53Å; L510-R517 VanDerWaalsContact O-CA 3.29Å; L510-R517 WeakPolarHBondContact O-CA 3.17Å; L511-R517 HydrophobicContact CG-CB 4.31Å; L511-R517 HydrophobicContact CG-CG 4.48Å; R517-D519 VanDerWaalsContact CG-OD1 3.25Å; R517-D519 WeakPolarHBondContact CG-OD1 3.07Å; R517-D519 IonicContact CZ-OD1 3.55Å; R517-D519 IonicContact CZ-OD2 3.25Å; R517-D519 VanDerWaalsContact CZ-OD2 3.25Å; R517-D519 VanDerWaalsContact NE-CG 3.26Å; R517-D519 IonicContact NE-OD1 2.75Å; R517-D519 PolarHBondContact NE-OD1 2.95Å; R517-D519 IonicContact NE-OD2 2.95Å; R517-D519 PolarHBondContact NE-OD2 3.12Å; R517-D519 IonicContact NH2-OD1 3.44Å; R517-D519 PolarHBondContact NH2-OD1 3.15Å; R517-D519 IonicContact NH2-OD2 2.91Å; R517-D519 PolarHBondContact NH2-OD2 3.43Å; R517-V547 VanDerWaalsContact CZ-CG1 3.46Å; R517-N548 PolarHBondContact NH1-OD1 3.34Å; R517-V623 CarbonylContact O-C 3.55Å; R517-W624 HydrophobicContact CB-CB 3.88Å; R517-W624 HydrophobicContact CB-CG 4.12Å; R517-W624 HydrophobicContact CG-CB 4.4Å; R517-W624 HydrophobicContact CG-CG 4.1Å; R517-W624 PolarHBondContact N-O 2.86Å; R517-W624 PolarHBondContact O-N 3.14Å
518	I	96.4	Very high	91.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.4	175.5	-56.8	177.1	0	0	0	107.8	S509 L510 L602 A608 F610 Y621 V623	S509-I518 CarbonylContact C-O 3.55Å; S509-I518 WeakPolarHBondContact CA-O 3.42Å; L510-I518 PolarHBondContact N-O 3.41Å; L510-I518 PolarHBondContact O-N 3.29Å; I518-L602 HydrophobicContact CD1-CD1 4.45Å; I518-A608 HydrophobicContact CD1-CB 3.73Å; I518-F610 HydrophobicContact CD1-CE2 4.45Å; I518-F610 HydrophobicContact CD1-CZ 3.99Å; I518-F610 HydrophobicContact CG2-CZ 4.05Å; I518-Y621 HydrophobicContact CG2-CD1 4.3Å; I518-V623 HydrophobicContact CG1-CG1 4.32Å; I518-V623 HydrophobicContact CG2-CG2 4.43Å
519	D	95.1	Very high	91.1	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.8	-179.3	-59	-21.4	0	0	0	110.1	S509 R517 Y621 V622 W624	S509-D519 WeakPolarHBondContact CB-OD1 3.47Å; S509-D519 VanDerWaalsContact OG-CG 3.3Å; S509-D519 PolarHBondContact OG-OD1 3.24Å; R517-D519 VanDerWaalsContact CG-OD1 3.25Å; R517-D519 WeakPolarHBondContact CG-OD1 3.07Å; R517-D519 IonicContact CZ-OD1 3.55Å; R517-D519 IonicContact CZ-OD2 3.25Å; R517-D519 VanDerWaalsContact CZ-OD2 3.25Å; R517-D519 VanDerWaalsContact NE-CG 3.26Å; R517-D519 IonicContact NE-OD1 2.75Å; R517-D519 PolarHBondContact NE-OD1 2.95Å; R517-D519 IonicContact NE-OD2 2.95Å; R517-D519 PolarHBondContact NE-OD2 3.12Å; R517-D519 IonicContact NH2-OD1 3.44Å; R517-D519 PolarHBondContact NH2-OD1 3.15Å; R517-D519 IonicContact NH2-OD2 2.91Å; R517-D519 PolarHBondContact NH2-OD2 3.43Å; D519-Y621 WeakPolarHBondContact O-CA 3.26Å; D519-V622 HydrophobicContact CB-CB 4.16Å; D519-V622 PolarHBondContact N-O 2.97Å; D519-V622 PolarHBondContact O-N 2.59Å; D519-W624 PolarHBondContact OD2-NE1 3.01Å
520	K	94	Very high	91	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	90.1	163.7	-174.9	171.2	177.7	147.6	0	108.6	L504 P506 G507 S508 E522 K525 V527 D618 Y621	L504-K520 HydrophobicContact CD2-CB 3.62Å; L504-K520 HydrophobicContact CG-CB 3.84Å; P506-K520 CarbonylContact C-O 3.57Å; G507-K520 PolarHBondContact N-O 2.79Å; S508-K520 PolarHBondContact O-N 3.33Å; K520-E522 WeakPolarHBondContact CE-O 3.28Å; K520-K525 WeakPolarHBondContact CE-O 3.06Å; K520-K525 PolarHBondContact NZ-O 3.49Å; K520-V527 HydrophobicContact CD-CG2 4.31Å; K520-D618 IonicContact NZ-OD1 3.58Å; K520-Y621 HydrophobicContact CB-CD1 4.34Å; K520-Y621 HydrophobicContact CB-CE1 4.3Å; K520-Y621 HydrophobicContact CD-CE1 4.32Å; K520-Y621 HydrophobicContact CG-CE1 4.23Å
521	C	86.9	Confident	90.8	Very high	67 Å²	67	31.1 Å²	31.1	45%	0.453	17%	0.165	S	C	.	.			trans	-73.9	-46.4	-177.5	-56.2	0	0	0	0	112
522	E	84.5	Confident	90.7	Very high	112 Å²	112	31.5 Å²	31.5	52%	0.523	17%	0.167	S	C	.	.	S	Bend	trans	-120.4	175.6	-170	-65	177.2	-178	0	0	112.3	K520	K520-E522 WeakPolarHBondContact CE-O 3.28Å
523	G	84.8	Confident	90.6	Very high	13 Å²	13	31.5 Å²	31.5	13%	0.134	17%	0.167	C	C	.	.			trans	101.8	165.6	177.7	0	0	0	0	0	113.7	P506 D618	P506-G523 WeakPolarHBondContact CB-O 3.48Å; P506-G523 WeakPolarHBondContact CG-O 3.17Å; G523-D618 VanDerWaalsContact CA-OD1 3.27Å; G523-D618 WeakPolarHBondContact CA-OD1 3.25Å
524	N	85.8	Confident	90.5	Very high	139 Å²	139	31.7 Å²	31.7	74%	0.743	17%	0.168	S	C	*	.	S	Bend	trans	-105.1	-14.5	-173.6	-69.1	-45	0	0	0	112.6	D618	N524-D618 PolarHBondContact N-OD1 3.33Å
525	K	86.8	Confident	90.4	Very high	105 Å²	105	35.1 Å²	35.1	46%	0.457	19%	0.186	S	C	.	.	S	Bend	trans	-112.5	137.5	-171.8	-66.5	-178.9	179.7	176.4	0	112.2	K520 Y613 D618	K520-K525 WeakPolarHBondContact CE-O 3.06Å; K520-K525 PolarHBondContact NZ-O 3.49Å; K525-Y613 HydrophobicContact CD-CD1 3.97Å; K525-Y613 HydrophobicContact CD-CE1 3.86Å; K525-D618 PolarHBondContact N-OD1 3.03Å; K525-D618 VanDerWaalsContact N-OD1 3.13Å
526	P	91	Very high	90.2	Very high	61 Å²	61	37.9 Å²	37.9	40%	0.396	21%	0.205	S	C	.	.			trans	-67.1	142.7	165.8	31.9	-35.3	0	0	0	109.9	L503 L504 K505	L503-P526 HydrophobicContact CD1-CB 3.85Å; L503-P526 HydrophobicContact CD1-CG 4.46Å; L503-P526 HydrophobicContact CD2-CB 4.22Å; L503-P526 HydrophobicContact CG-CB 3.96Å; L504-P526 WeakPolarHBondContact O-CA 3.26Å; K505-P526 HydrophobicContact CG-CB 4.21Å
527	V	90.4	Very high	90	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.9	-175.1	176.2	0	0	0	0	109.9	L504 K520 V529 F610 Y613	L504-V527 PolarHBondContact N-O 3.47Å; L504-V527 PolarHBondContact O-N 2.97Å; K520-V527 HydrophobicContact CD-CG2 4.31Å; V527-V529 HydrophobicContact CG1-CG2 4.25Å; V527-V529 PolarHBondContact O-N 3.38Å; V527-F610 HydrophobicContact CG1-CD1 4.22Å; V527-Y613 HydrophobicContact CG1-CE2 4.32Å; V527-Y613 HydrophobicContact CG2-CD2 4.29Å; V527-Y613 HydrophobicContact CG2-CE2 3.63Å
528	L	90.4	Very high	89.8	Confident	72 Å²	72	38.5 Å²	38.5	38%	0.377	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.4	171	-173.8	68.8	0	0	0	109.3	E501	E501-L528 HydrophobicContact CB-CD1 4.26Å
529	V	92.4	Very high	89.6	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.6	179.2	-174.4	0	0	0	0	108.9	E501 Y502 L504 V527 V531 A608 F610	E501-V529 WeakPolarHBondContact CA-O 3.27Å; Y502-V529 PolarHBondContact N-O 2.84Å; Y502-V529 PolarHBondContact O-N 3.28Å; L504-V529 HydrophobicContact CB-CG2 3.97Å; L504-V529 HydrophobicContact CD2-CG2 4.38Å; V527-V529 HydrophobicContact CG1-CG2 4.25Å; V527-V529 PolarHBondContact O-N 3.38Å; V529-V531 HydrophobicContact CG1-CG2 4.22Å; V529-A608 HydrophobicContact CG1-CB 3.86Å; V529-F610 HydrophobicContact CB-CE1 4.2Å; V529-F610 HydrophobicContact CG1-CD1 4.32Å; V529-F610 HydrophobicContact CG1-CE1 3.73Å; V529-F610 HydrophobicContact CG1-CE2 4.23Å; V529-F610 HydrophobicContact CG1-CZ 3.64Å; V529-F610 HydrophobicContact CG2-CD1 3.78Å; V529-F610 HydrophobicContact CG2-CE1 3.41Å; V529-F610 VanDerWaalsContact CG2-CE1 3.41Å; V529-F610 HydrophobicContact CG2-CZ 4.2Å
530	K	93.2	Very high	89.5	Confident	54 Å²	54	41.5 Å²	41.5	24%	0.235	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.3	174.4	-54.6	-163.4	-177.6	-155.9	0	110.1	E501 Y532 A608 S609	E501-K530 HydrophobicContact CG-CD 4.17Å; E501-K530 HydrophobicContact CG-CG 4.01Å; E501-K530 WeakPolarHBondContact OE1-CD 3.42Å; E501-K530 WeakPolarHBondContact OE1-CE 3.28Å; E501-K530 IonicContact OE1-NZ 2.58Å; E501-K530 PolarHBondContact OE1-NZ 2.67Å; E501-K530 IonicContact OE2-NZ 2.87Å; K530-Y532 HydrophobicContact CB-CE2 3.89Å; K530-A608 CarbonylContact O-C 3.52Å; K530-A608 WeakPolarHBondContact O-CA 3.45Å; K530-S609 PolarHBondContact N-O 3.08Å; K530-S609 PolarHBondContact O-N 3.09Å
531	V	93.4	Very high	89.5	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.5	-178.8	-174.9	0	0	0	0	110.3	R500 Y502 L510 L512 V529 A533 I539 A608	R500-V531 PolarHBondContact N-O 3.39Å; R500-V531 PolarHBondContact O-N 2.78Å; Y502-V531 HydrophobicContact CD2-CG2 4.26Å; L510-V531 HydrophobicContact CD1-CG2 3.74Å; L510-V531 HydrophobicContact CD2-CG2 4.14Å; L512-V531 HydrophobicContact CD1-CG1 4.49Å; L512-V531 HydrophobicContact CD2-CG1 4.34Å; V529-V531 HydrophobicContact CG1-CG2 4.22Å; V531-A533 HydrophobicContact CG1-CB 4.3Å; V531-I539 HydrophobicContact CB-CD1 3.84Å; V531-I539 HydrophobicContact CG1-CD1 3.69Å; V531-I539 HydrophobicContact CG2-CD1 4.27Å; V531-A608 HydrophobicContact CG2-CB 4.29Å
532	Y	91.3	Very high	89.8	Confident	9 Å²	9	42.6 Å²	42.6	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	102.4	174.9	-60	-95	0	0	0	108.4	P499 K530 G606 W607 L638	P499-Y532 HydrophobicContact CB-CD1 4.33Å; P499-Y532 HydrophobicContact CB-CE1 3.6Å; P499-Y532 HydrophobicContact CG-CE1 4.25Å; K530-Y532 HydrophobicContact CB-CE2 3.89Å; Y532-G606 CarbonylContact O-C 3.59Å; Y532-G606 WeakPolarHBondContact O-CA 3.3Å; Y532-W607 AromaticContact CD1-CZ2 3.88Å; Y532-W607 HydrophobicContact CD1-CZ2 3.88Å; Y532-W607 AromaticContact CD2-CD1 3.75Å; Y532-W607 HydrophobicContact CD2-CD2 4.45Å; Y532-W607 AromaticContact CD2-CE2 3.64Å; Y532-W607 HydrophobicContact CD2-CG 4.5Å; Y532-W607 HydrophobicContact CD2-CZ2 4.01Å; Y532-W607 AromaticContact CD2-NE1 3.17Å; Y532-W607 AromaticContact CE2-NE1 3.81Å; Y532-W607 HydrophobicContact CG-CD2 4.37Å; Y532-W607 AromaticContact CG-CE2 3.54Å; Y532-W607 HydrophobicContact CG-CH2 4.27Å; Y532-W607 AromaticContact CG-CZ2 3.48Å; Y532-W607 HydrophobicContact CG-CZ2 3.48Å; Y532-W607 VanDerWaalsContact CG-CZ2 3.48Å; Y532-W607 AromaticContact CG-NE1 3.61Å; Y532-W607 PolarHBondContact N-O 2.79Å; Y532-W607 PolarHBondContact O-N 2.91Å; Y532-L638 HydrophobicContact CD1-CD1 4.14Å; Y532-L638 HydrophobicContact CE1-CD1 3.32Å; Y532-L638 HydrophobicContact CE2-CD1 3.95Å; Y532-L638 WeakPolarHBondContact OH-CD1 3.31Å
533	A	90.6	Very high	90.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	164.3	-179.5	0	0	0	0	0	108.8	L497 R500 L512 V531 D535 I605	L497-A533 VanDerWaalsContact CD2-O 3.32Å; L497-A533 WeakPolarHBondContact CD2-O 3.36Å; R500-A533 PolarHBondContact NH2-O 2.95Å; L512-A533 HydrophobicContact CD1-CB 3.91Å; L512-A533 HydrophobicContact CD2-CB 3.67Å; L512-A533 HydrophobicContact CG-CB 4.41Å; V531-A533 HydrophobicContact CG1-CB 4.3Å; A533-D535 PolarHBondContact O-N 2.75Å; A533-I605 WeakPolarHBondContact CB-O 3.23Å
534	S	87.4	Confident	90.7	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.028	22%	0.22	C	C	.	.			trans	-47.8	134.6	177.9	175	0	0	0	0	111.8	L490 T491 R500 C536 L537	L490-S534 VanDerWaalsContact O-CB 3.28Å; L490-S534 WeakPolarHBondContact O-CB 3.04Å; L490-S534 PolarHBondContact O-OG 3.17Å; T491-S534 VanDerWaalsContact O-CB 3.24Å; T491-S534 WeakPolarHBondContact O-CB 3.3Å; R500-S534 PolarHBondContact NH2-O 3.12Å; S534-C536 PolarHBondContact O-N 3.02Å; S534-C536 VanDerWaalsContact O-N 3.14Å; S534-C536 PolarHBondContact OG-N 2.82Å; S534-L537 PolarHBondContact O-N 2.7Å
535	D	86.5	Confident	91.1	Very high	73 Å²	73	39.9 Å²	39.9	39%	0.39	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22	178.8	-67.3	-25.8	0	0	0	111.8	A533 L537	A533-D535 PolarHBondContact O-N 2.75Å; D535-L537 VanDerWaalsContact C-N 3.29Å; D535-L537 PolarHBondContact O-N 2.9Å
536	C	85.8	Confident	91.3	Very high	57 Å²	57	39.4 Å²	39.4	39%	0.385	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.8	175	-58.4	0	0	0	0	113.1	L490 S534 L564	L490-C536 HydrophobicContact CB-CB 4.48Å; L490-C536 HydrophobicContact CD2-CB 4.15Å; L490-C536 WeakPolarHBondContact O-CB 3.4Å; S534-C536 PolarHBondContact O-N 3.02Å; S534-C536 VanDerWaalsContact O-N 3.14Å; S534-C536 PolarHBondContact OG-N 2.82Å; C536-L564 WeakPolarHBondContact O-CD1 3.49Å
537	L	89.2	Confident	91.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	-86.9	119.5	-179.3	-63.3	-179.7	0	0	0	110.1	T491 R500 L512 A513 L515 S534 D535 V565 I605	T491-L537 HydrophobicContact CG2-CD1 4.16Å; T491-L537 HydrophobicContact CG2-CD2 3.92Å; R500-L537 PolarHBondContact NH1-O 2.79Å; R500-L537 PolarHBondContact NH2-O 2.78Å; L512-L537 HydrophobicContact CD1-CB 3.88Å; L512-L537 HydrophobicContact CD1-CD1 4.48Å; L512-L537 HydrophobicContact CG-CD1 4.48Å; A513-L537 HydrophobicContact CB-CB 4.46Å; A513-L537 HydrophobicContact CB-CD2 4.01Å; L515-L537 HydrophobicContact CD1-CD1 4.48Å; L515-L537 HydrophobicContact CD1-CD2 4.43Å; S534-L537 PolarHBondContact O-N 2.7Å; D535-L537 VanDerWaalsContact C-N 3.29Å; D535-L537 PolarHBondContact O-N 2.9Å; L537-V565 HydrophobicContact CD2-CB 4.3Å; L537-V565 HydrophobicContact CD2-CG2 3.84Å; L537-I605 HydrophobicContact CD1-CG2 3.96Å
538	P	90.2	Very high	91.3	Very high	28 Å²	28	40 Å²	40	18%	0.182	22%	0.221	C	C	.	.			trans	-71.6	148.8	179.1	30	-32.5	0	0	0	110.4	A513 F540 R562 F563	A513-P538 HydrophobicContact CB-CG 4.49Å; A513-P538 PolarHBondContact N-O 2.92Å; P538-F540 HydrophobicContact CB-CE2 3.86Å; P538-F540 HydrophobicContact CB-CZ 3.9Å; P538-F540 HydrophobicContact CG-CE2 3.95Å; P538-F540 HydrophobicContact CG-CZ 4.26Å; P538-R562 WeakPolarHBondContact CG-O 3.49Å; P538-F563 WeakPolarHBondContact CD-O 3.48Å; P538-F563 VanDerWaalsContact CG-O 3.29Å; P538-F563 WeakPolarHBondContact CG-O 3.27Å
539	I	92.3	Very high	91.1	Very high	22 Å²	22	42.5 Å²	42.5	11%	0.113	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.8	175.2	-64.6	171.5	0	0	0	108.6	R500 Y502 L510 L511 L512 V531	R500-I539 HydrophobicContact CB-CD1 4.27Å; Y502-I539 HydrophobicContact CD2-CG2 4.19Å; Y502-I539 HydrophobicContact CE1-CG2 4.06Å; Y502-I539 HydrophobicContact CE2-CB 4.13Å; Y502-I539 HydrophobicContact CE2-CD1 3.63Å; Y502-I539 HydrophobicContact CE2-CG1 4.48Å; Y502-I539 HydrophobicContact CE2-CG2 3.64Å; L510-I539 HydrophobicContact CD1-CG2 4.21Å; L510-I539 HydrophobicContact CD2-CG2 4Å; L510-I539 HydrophobicContact CG-CG2 3.89Å; L511-I539 CarbonylContact O-C 3.58Å; L511-I539 VanDerWaalsContact O-CA 3.24Å; L511-I539 WeakPolarHBondContact O-CA 3.42Å; L512-I539 HydrophobicContact CD1-CD1 3.97Å; L512-I539 HydrophobicContact CD1-CG1 3.44Å; L512-I539 VanDerWaalsContact CD1-CG1 3.44Å; V531-I539 HydrophobicContact CB-CD1 3.84Å; V531-I539 HydrophobicContact CG1-CD1 3.69Å; V531-I539 HydrophobicContact CG2-CD1 4.27Å
540	F	92.6	Very high	90.9	Very high	50 Å²	50	44 Å²	44	22%	0.219	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.8	175.5	-54.1	-81.2	0	0	0	109.3	L510 L511 P538 F550 R562 F563	L510-F540 CarbonylContact C-O 3.57Å; L510-F540 WeakPolarHBondContact CA-O 3.4Å; L511-F540 HydrophobicContact CB-CB 4.31Å; L511-F540 PolarHBondContact N-O 2.84Å; L511-F540 PolarHBondContact O-N 2.8Å; P538-F540 HydrophobicContact CB-CE2 3.86Å; P538-F540 HydrophobicContact CB-CZ 3.9Å; P538-F540 HydrophobicContact CG-CE2 3.95Å; P538-F540 HydrophobicContact CG-CZ 4.26Å; F540-F550 HydrophobicContact CB-CE1 4.23Å; F540-F550 HydrophobicContact CD1-CE1 4.28Å; F540-F550 AromaticContact CD1-CZ 3.96Å; F540-F550 HydrophobicContact CD1-CZ 3.96Å; F540-F550 HydrophobicContact CD2-CE1 4.08Å; F540-F550 HydrophobicContact CD2-CZ 4.46Å; F540-F550 HydrophobicContact CE1-CZ 4.21Å; F540-F550 AromaticContact CG-CE1 3.93Å; F540-F550 HydrophobicContact CG-CE1 3.93Å; F540-F550 HydrophobicContact CG-CZ 4.09Å; F540-R562 WeakPolarHBondContact CZ-O 3.2Å; F540-F563 HydrophobicContact CD2-CD1 4.23Å; F540-F563 AromaticContact CD2-CE1 3.76Å; F540-F563 HydrophobicContact CD2-CE1 3.76Å; F540-F563 HydrophobicContact CD2-CZ 4.1Å; F540-F563 AromaticContact CE2-CD1 3.74Å; F540-F563 HydrophobicContact CE2-CD1 3.74Å; F540-F563 HydrophobicContact CE2-CD2 4.43Å; F540-F563 AromaticContact CE2-CE1 3.71Å; F540-F563 HydrophobicContact CE2-CE1 3.71Å; F540-F563 HydrophobicContact CE2-CE2 4.35Å; F540-F563 HydrophobicContact CE2-CG 4.2Å; F540-F563 HydrophobicContact CE2-CZ 4.08Å
541	V	94	Very high	90.4	Very high	64 Å²	64	42.3 Å²	42.3	39%	0.388	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	172.6	-179.8	0	0	0	0	107.6	Y502 L504 S509 L510	Y502-V541 HydrophobicContact CD1-CG2 3.65Å; Y502-V541 HydrophobicContact CE1-CG2 4.33Å; Y502-V541 HydrophobicContact CG-CG2 4.01Å; L504-V541 HydrophobicContact CD1-CG1 4.19Å; S509-V541 WeakPolarHBondContact O-CA 3.24Å; L510-V541 HydrophobicContact CB-CG2 4.4Å; L510-V541 HydrophobicContact CD1-CG2 4.25Å; L510-V541 HydrophobicContact CG-CG2 4.17Å
542	M	93.7	Very high	89.8	Confident	26 Å²	26	46.6 Å²	46.6	13%	0.128	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.2	-173.9	70.9	-163.5	-36.1	0	0	112.4	S508 S509 L511 S544 E546 V547 F550	S508-M542 CarbonylContact C-O 3.57Å; S508-M542 WeakPolarHBondContact CA-O 3.29Å; S508-M542 WeakPolarHBondContact CB-O 3.21Å; S509-M542 PolarHBondContact N-O 3.04Å; S509-M542 PolarHBondContact O-N 3.41Å; L511-M542 HydrophobicContact CD1-CG 4.05Å; L511-M542 HydrophobicContact CD1-SD 3.82Å; M542-S544 PolarHBondContact O-N 3.23Å; M542-E546 HydrophobicContact CE-CB 4.25Å; M542-V547 HydrophobicContact CG-CG2 3.75Å; M542-V547 HydrophobicContact SD-CG2 4.17Å; M542-F550 HydrophobicContact CE-CB 3.72Å; M542-F550 HydrophobicContact CE-CD1 3.93Å; M542-F550 HydrophobicContact CE-CD2 3.65Å; M542-F550 HydrophobicContact CE-CE1 4.42Å; M542-F550 HydrophobicContact CE-CE2 4.22Å; M542-F550 HydrophobicContact CE-CG 3.51Å; M542-F550 HydrophobicContact SD-CB 3.85Å; M542-F550 HydrophobicContact SD-CD1 3.51Å; M542-F550 VanDerWaalsContact SD-CD1 3.51Å; M542-F550 HydrophobicContact SD-CD2 4.36Å; M542-F550 HydrophobicContact SD-CE1 4.09Å; M542-F550 HydrophobicContact SD-CG 3.68Å
543	P	95	Very high	89.1	Confident	54 Å²	54	53 Å²	53	35%	0.351	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	135.3	172.9	-23.2	35.3	0	0	0	111.4	V545 E546	P543-V545 HydrophobicContact CB-CG2 4.05Å; P543-V545 PolarHBondContact O-N 2.95Å; P543-V545 VanDerWaalsContact O-N 3.08Å; P543-E546 HydrophobicContact CB-CG 4.39Å; P543-E546 PolarHBondContact O-N 2.97Å
544	S	93.1	Very high	88	Confident	24 Å²	24	55.1 Å²	55.1	17%	0.168	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.4	-174.7	-60.6	0	0	0	0	113.5	G507 S508 S509 M542	G507-S544 PolarHBondContact O-N 2.88Å; G507-S544 PolarHBondContact O-OG 2.82Å; S508-S544 VanDerWaalsContact C-OG 3.25Å; S508-S544 WeakPolarHBondContact CA-OG 3.33Å; S508-S544 PolarHBondContact N-OG 2.79Å; S508-S544 PolarHBondContact O-OG 2.71Å; S509-S544 WeakPolarHBondContact OG-CA 3.36Å; S509-S544 WeakPolarHBondContact OG-CB 3.14Å; S509-S544 PolarHBondContact OG-OG 3.24Å; M542-S544 PolarHBondContact O-N 3.23Å
545	V	93.2	Very high	87	Confident	129 Å²	129	56 Å²	56	78%	0.782	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.5	177.9	-62.1	0	0	0	0	113.2	P543	P543-V545 HydrophobicContact CB-CG2 4.05Å; P543-V545 PolarHBondContact O-N 2.95Å; P543-V545 VanDerWaalsContact O-N 3.08Å
546	E	92.7	Very high	85.6	Confident	96 Å²	96	56.8 Å²	56.8	45%	0.449	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15	-178.8	-65.5	175.3	-165	0	0	112.5	M542 P543 N548 E549 F550	M542-E546 HydrophobicContact CE-CB 4.25Å; P543-E546 HydrophobicContact CB-CG 4.39Å; P543-E546 PolarHBondContact O-N 2.97Å; E546-N548 VanDerWaalsContact C-N 3.29Å; E546-N548 PolarHBondContact O-N 3.36Å; E546-E549 PolarHBondContact O-N 2.91Å; E546-F550 WeakPolarHBondContact O-CB 3.39Å; E546-F550 PolarHBondContact O-N 3.1Å
547	V	91.1	Very high	84.1	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-39.4	-170.8	-179.5	0	0	0	0	112	L511 R517 M542 F550 Y551	L511-V547 HydrophobicContact CD1-CG1 4Å; L511-V547 HydrophobicContact CD1-CG2 4.16Å; L511-V547 HydrophobicContact CD2-CG1 3.89Å; L511-V547 HydrophobicContact CG-CG1 4.28Å; R517-V547 VanDerWaalsContact CZ-CG1 3.46Å; M542-V547 HydrophobicContact CG-CG2 3.75Å; M542-V547 HydrophobicContact SD-CG2 4.17Å; V547-F550 PolarHBondContact O-N 2.91Å; V547-Y551 WeakPolarHBondContact O-CB 3.17Å; V547-Y551 PolarHBondContact O-N 3.04Å
548	N	88.7	Confident	82	Confident	72 Å²	72	67 Å²	67	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-66.4	-45.5	-175.9	-61.9	-0.7	0	0	0	111.1	F108 R517 E546 Y551 Q552	F108-N548 HydrophobicContact CD2-CB 4.45Å; F108-N548 WeakPolarHBondContact CD2-OD1 3.26Å; F108-N548 HydrophobicContact CE2-CB 4.14Å; F108-N548 WeakPolarHBondContact CE2-OD1 3.34Å; R517-N548 PolarHBondContact NH1-OD1 3.34Å; E546-N548 VanDerWaalsContact C-N 3.29Å; E546-N548 PolarHBondContact O-N 3.36Å; N548-Y551 PolarHBondContact O-N 2.8Å; N548-Q552 WeakPolarHBondContact O-CB 3.29Å; N548-Q552 WeakPolarHBondContact O-CG 3.48Å; N548-Q552 PolarHBondContact O-N 3.47Å; N548-Q552 VanDerWaalsContact O-N 3.07Å
549	E	87.6	Confident	79.8	Confident	126 Å²	126	67.7 Å²	67.7	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-63.4	-45	175.5	-170.5	-169.8	154.5	0	0	110.8	E546 Q552 R553	E546-E549 PolarHBondContact O-N 2.91Å; E549-Q552 PolarHBondContact O-N 3.25Å; E549-R553 WeakPolarHBondContact O-CB 3.45Å; E549-R553 PolarHBondContact O-N 2.77Å
550	F	86.6	Confident	78	Confident	33 Å²	33	75.3 Å²	75.3	15%	0.145	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-48.7	177.7	-172.8	-107.5	0	0	0	111.7	F540 M542 E546 V547 Q552 R553 Y554 F563	F540-F550 HydrophobicContact CB-CE1 4.23Å; F540-F550 HydrophobicContact CD1-CE1 4.28Å; F540-F550 AromaticContact CD1-CZ 3.96Å; F540-F550 HydrophobicContact CD1-CZ 3.96Å; F540-F550 HydrophobicContact CD2-CE1 4.08Å; F540-F550 HydrophobicContact CD2-CZ 4.46Å; F540-F550 HydrophobicContact CE1-CZ 4.21Å; F540-F550 AromaticContact CG-CE1 3.93Å; F540-F550 HydrophobicContact CG-CE1 3.93Å; F540-F550 HydrophobicContact CG-CZ 4.09Å; M542-F550 HydrophobicContact CE-CB 3.72Å; M542-F550 HydrophobicContact CE-CD1 3.93Å; M542-F550 HydrophobicContact CE-CD2 3.65Å; M542-F550 HydrophobicContact CE-CE1 4.42Å; M542-F550 HydrophobicContact CE-CE2 4.22Å; M542-F550 HydrophobicContact CE-CG 3.51Å; M542-F550 HydrophobicContact SD-CB 3.85Å; M542-F550 HydrophobicContact SD-CD1 3.51Å; M542-F550 VanDerWaalsContact SD-CD1 3.51Å; M542-F550 HydrophobicContact SD-CD2 4.36Å; M542-F550 HydrophobicContact SD-CE1 4.09Å; M542-F550 HydrophobicContact SD-CG 3.68Å; E546-F550 WeakPolarHBondContact O-CB 3.39Å; E546-F550 PolarHBondContact O-N 3.1Å; V547-F550 PolarHBondContact O-N 2.91Å; F550-Q552 PolarHBondContact O-N 3.13Å; F550-R553 PolarHBondContact O-N 2.83Å; F550-Y554 HydrophobicContact CD1-CD2 4.49Å; F550-Y554 AromaticContact CD2-CD2 3.36Å; F550-Y554 HydrophobicContact CD2-CD2 3.36Å; F550-Y554 AromaticContact CD2-CE2 3.21Å; F550-Y554 HydrophobicContact CD2-CE2 3.21Å; F550-Y554 AromaticContact CE2-CD2 3.45Å; F550-Y554 HydrophobicContact CE2-CD2 3.45Å; F550-Y554 VanDerWaalsContact CE2-CD2 3.45Å; F550-Y554 AromaticContact CE2-CE2 3.19Å; F550-Y554 HydrophobicContact CE2-CE2 3.19Å; F550-Y554 HydrophobicContact CE2-CG 4.31Å; F550-Y554 AromaticContact CE2-CZ 3.85Å; F550-Y554 AromaticContact CG-CD2 3.91Å; F550-Y554 HydrophobicContact CG-CD2 3.91Å; F550-Y554 HydrophobicContact CG-CE2 4.18Å; F550-Y554 HydrophobicContact CZ-CD2 4.08Å; F550-Y554 HydrophobicContact CZ-CE2 4.17Å; F550-Y554 WeakPolarHBondContact O-CB 3.34Å; F550-Y554 WeakPolarHBondContact O-CD2 3.45Å; F550-Y554 PolarHBondContact O-N 2.99Å; F550-Y554 VanDerWaalsContact O-N 3.11Å; F550-F563 AromaticContact CD1-CE2 3.94Å; F550-F563 HydrophobicContact CD1-CE2 3.94Å; F550-F563 AromaticContact CD1-CZ 3.53Å; F550-F563 HydrophobicContact CD1-CZ 3.53Å; F550-F563 HydrophobicContact CE1-CE1 4.15Å; F550-F563 AromaticContact CE1-CE2 3.43Å; F550-F563 HydrophobicContact CE1-CE2 3.43Å; F550-F563 VanDerWaalsContact CE1-CE2 3.43Å; F550-F563 AromaticContact CE1-CZ 3.11Å; F550-F563 HydrophobicContact CE1-CZ 3.11Å; F550-F563 AromaticContact CZ-CE2 3.88Å; F550-F563 HydrophobicContact CZ-CE2 3.88Å; F550-F563 HydrophobicContact CZ-CZ 4.01Å
551	Y	83.4	Confident	76.3	Confident	17 Å²	17	81.8 Å²	81.8	7%	0.067	40%	0.397	C	S	.	.	H	α-helix	trans	-60.3	-47.5	-179.2	-166.4	-93.4	0	0	0	111.2	F108 L511 G514 V547 N548 I555 L579	F108-Y551 HydrophobicContact CZ-CG 4.43Å; L511-Y551 HydrophobicContact CD2-CD2 4.18Å; G514-Y551 PolarHBondContact O-OH 3.49Å; G514-Y551 VanDerWaalsContact O-OH 3.12Å; V547-Y551 WeakPolarHBondContact O-CB 3.17Å; V547-Y551 PolarHBondContact O-N 3.04Å; N548-Y551 PolarHBondContact O-N 2.8Å; Y551-I555 HydrophobicContact CD1-CD1 3.77Å; Y551-I555 HydrophobicContact CD2-CD1 3.61Å; Y551-I555 HydrophobicContact CE1-CD1 3.38Å; Y551-I555 HydrophobicContact CE2-CD1 3.21Å; Y551-I555 HydrophobicContact CG-CD1 3.86Å; Y551-I555 VanDerWaalsContact O-CB 3.32Å; Y551-I555 WeakPolarHBondContact O-CB 3.43Å; Y551-I555 PolarHBondContact O-N 2.82Å; Y551-I555 VanDerWaalsContact O-N 3.08Å; Y551-I555 WeakPolarHBondContact OH-CD1 3.29Å; Y551-L579 HydrophobicContact CD2-CD1 4.46Å; Y551-L579 HydrophobicContact CE2-CD1 3.55Å; Y551-L579 HydrophobicContact CE2-CG 4.28Å; Y551-L579 WeakPolarHBondContact OH-CG 3.43Å
552	Q	79.9	Confident	74.5	Confident	93 Å²	93	85.3 Å²	85.3	44%	0.435	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-50.4	178.2	-72	176.3	-3.4	0	0	112	N548 E549 F550 Y554 L556	N548-Q552 WeakPolarHBondContact O-CB 3.29Å; N548-Q552 WeakPolarHBondContact O-CG 3.48Å; N548-Q552 PolarHBondContact O-N 3.47Å; N548-Q552 VanDerWaalsContact O-N 3.07Å; E549-Q552 PolarHBondContact O-N 3.25Å; F550-Q552 PolarHBondContact O-N 3.13Å; Q552-Y554 VanDerWaalsContact C-N 3.31Å; Q552-Y554 PolarHBondContact O-N 3.1Å; Q552-L556 HydrophobicContact CB-CD1 4.22Å; Q552-L556 HydrophobicContact CG-CD1 4.41Å; Q552-L556 WeakPolarHBondContact O-CB 3.26Å; Q552-L556 WeakPolarHBondContact O-CG 3.34Å; Q552-L556 PolarHBondContact O-N 3.12Å
553	R	77	Confident	72.9	Confident	142 Å²	142	84.3 Å²	84.3	54%	0.536	40%	0.398	S	S	.	.	H	α-helix	trans	-59.7	-41.1	-175.9	-175.7	172.9	-176.3	161.7	1.5	112.7	E549 F550 M557	E549-R553 WeakPolarHBondContact O-CB 3.45Å; E549-R553 PolarHBondContact O-N 2.77Å; F550-R553 PolarHBondContact O-N 2.83Å; R553-M557 PolarHBondContact O-N 3.12Å
554	Y	68.7	Low	71.8	Confident	46 Å²	46	84.7 Å²	84.7	18%	0.18	40%	0.397	C	S	.	.	H	α-helix	trans	-93.5	-28.3	-170.3	-75.3	-81.8	0	0	0	114.1	F550 Q552 C559 R562 F563	F550-Y554 HydrophobicContact CD1-CD2 4.49Å; F550-Y554 AromaticContact CD2-CD2 3.36Å; F550-Y554 HydrophobicContact CD2-CD2 3.36Å; F550-Y554 AromaticContact CD2-CE2 3.21Å; F550-Y554 HydrophobicContact CD2-CE2 3.21Å; F550-Y554 AromaticContact CE2-CD2 3.45Å; F550-Y554 HydrophobicContact CE2-CD2 3.45Å; F550-Y554 VanDerWaalsContact CE2-CD2 3.45Å; F550-Y554 AromaticContact CE2-CE2 3.19Å; F550-Y554 HydrophobicContact CE2-CE2 3.19Å; F550-Y554 HydrophobicContact CE2-CG 4.31Å; F550-Y554 AromaticContact CE2-CZ 3.85Å; F550-Y554 AromaticContact CG-CD2 3.91Å; F550-Y554 HydrophobicContact CG-CD2 3.91Å; F550-Y554 HydrophobicContact CG-CE2 4.18Å; F550-Y554 HydrophobicContact CZ-CD2 4.08Å; F550-Y554 HydrophobicContact CZ-CE2 4.17Å; F550-Y554 WeakPolarHBondContact O-CB 3.34Å; F550-Y554 WeakPolarHBondContact O-CD2 3.45Å; F550-Y554 PolarHBondContact O-N 2.99Å; F550-Y554 VanDerWaalsContact O-N 3.11Å; Q552-Y554 VanDerWaalsContact C-N 3.31Å; Q552-Y554 PolarHBondContact O-N 3.1Å; Y554-C559 HydrophobicContact CD1-CB 3.71Å; Y554-C559 HydrophobicContact CE1-CB 4.06Å; Y554-R562 PolarHBondContact OH-NH1 3.45Å; Y554-R562 VanDerWaalsContact OH-NH1 3.1Å; Y554-F563 HydrophobicContact CD2-CE2 4.43Å; Y554-F563 HydrophobicContact CG-CD2 4.34Å; Y554-F563 AromaticContact CG-CE2 3.97Å; Y554-F563 HydrophobicContact CG-CE2 3.97Å
555	I	65.6	Low	71.3	Confident	23 Å²	23	83.6 Å²	83.6	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-80	-39.8	172	-70.1	170.8	0	0	0	110.7	Y551 P566 L573	Y551-I555 HydrophobicContact CD1-CD1 3.77Å; Y551-I555 HydrophobicContact CD2-CD1 3.61Å; Y551-I555 HydrophobicContact CE1-CD1 3.38Å; Y551-I555 HydrophobicContact CE2-CD1 3.21Å; Y551-I555 HydrophobicContact CG-CD1 3.86Å; Y551-I555 VanDerWaalsContact O-CB 3.32Å; Y551-I555 WeakPolarHBondContact O-CB 3.43Å; Y551-I555 PolarHBondContact O-N 2.82Å; Y551-I555 VanDerWaalsContact O-N 3.08Å; Y551-I555 WeakPolarHBondContact OH-CD1 3.29Å; I555-P566 HydrophobicContact CG2-CG 4.48Å; I555-L573 HydrophobicContact CG2-CD2 4.48Å
556	L	57.4	Low	70.7	Confident	89 Å²	89	78 Å²	78	47%	0.466	36%	0.356	S	S	.	.	H	α-helix	trans	-88.7	-32.4	-170.9	-61.3	169.6	0	0	0	114.2	Q552	Q552-L556 HydrophobicContact CB-CD1 4.22Å; Q552-L556 HydrophobicContact CG-CD1 4.41Å; Q552-L556 WeakPolarHBondContact O-CB 3.26Å; Q552-L556 WeakPolarHBondContact O-CG 3.34Å; Q552-L556 PolarHBondContact O-N 3.12Å
557	M	53.1	Low	69.9	Low	145 Å²	145	74.8 Å²	74.8	71%	0.714	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-55.9	-159.2	-65	-172	73.6	0	0	116.5	R553	R553-M557 PolarHBondContact O-N 3.12Å
558	I	47.1	Very low	69	Low	128 Å²	128	76.1 Å²	76.1	66%	0.656	36%	0.357	S	S	*	.	S	Bend	trans	-138	-10.7	-153.3	-72.8	155.1	0	0	0	116.5
559	C	42.9	Very low	68.2	Low	42 Å²	42	75.3 Å²	75.3	28%	0.284	36%	0.357	S	S	.	.			trans	-141.9	64.4	-171.8	-92.3	0	0	0	0	114.8	Y554 K561 R562	Y554-C559 HydrophobicContact CD1-CB 3.71Å; Y554-C559 HydrophobicContact CE1-CB 4.06Å; C559-K561 PolarHBondContact O-N 3.2Å; C559-R562 HydrophobicContact CB-CG 4.42Å; C559-R562 PolarHBondContact O-N 3.27Å
560	R	53.8	Low	67.5	Low	183 Å²	183	73 Å²	73	69%	0.691	35%	0.353	S	S	*	.	H	α-helix	trans	-44.6	-28.9	172.3	-68.2	-178.4	177.1	148.3	2.4	114.3
561	K	57.4	Low	66.8	Low	186 Å²	186	78 Å²	78	81%	0.809	38%	0.377	S	S	*	.	H	α-helix	trans	-78.4	-18.7	-176.6	-66.1	-175.6	178.5	178.9	0	115	C559 L564	C559-K561 PolarHBondContact O-N 3.2Å; K561-L564 WeakPolarHBondContact O-CD2 3.5Å
562	R	57.2	Low	66.5	Low	137 Å²	137	78.7 Å²	78.7	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-89.9	-39.7	-169.4	-79.5	-170.8	177.4	170.8	1.5	114.8	P538 F540 Y554 C559	P538-R562 WeakPolarHBondContact CG-O 3.49Å; F540-R562 WeakPolarHBondContact CZ-O 3.2Å; Y554-R562 PolarHBondContact OH-NH1 3.45Å; Y554-R562 VanDerWaalsContact OH-NH1 3.1Å; C559-R562 HydrophobicContact CB-CG 4.42Å; C559-R562 PolarHBondContact O-N 3.27Å
563	F	60	Low	66.3	Low	6 Å²	6	75.6 Å²	75.6	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-90.3	-23.6	-179.6	-89.6	-81.9	0	0	0	113.5	L511 A513 P538 F540 F550 Y554 V565	L511-F563 HydrophobicContact CD2-CE1 4.27Å; L511-F563 HydrophobicContact CD2-CZ 4.37Å; A513-F563 WeakPolarHBondContact CB-O 3.36Å; A513-F563 WeakPolarHBondContact O-CD1 3.41Å; A513-F563 VanDerWaalsContact O-CE1 3.29Å; A513-F563 WeakPolarHBondContact O-CE1 3.3Å; P538-F563 WeakPolarHBondContact CD-O 3.48Å; P538-F563 VanDerWaalsContact CG-O 3.29Å; P538-F563 WeakPolarHBondContact CG-O 3.27Å; F540-F563 HydrophobicContact CD2-CD1 4.23Å; F540-F563 AromaticContact CD2-CE1 3.76Å; F540-F563 HydrophobicContact CD2-CE1 3.76Å; F540-F563 HydrophobicContact CD2-CZ 4.1Å; F540-F563 AromaticContact CE2-CD1 3.74Å; F540-F563 HydrophobicContact CE2-CD1 3.74Å; F540-F563 HydrophobicContact CE2-CD2 4.43Å; F540-F563 AromaticContact CE2-CE1 3.71Å; F540-F563 HydrophobicContact CE2-CE1 3.71Å; F540-F563 HydrophobicContact CE2-CE2 4.35Å; F540-F563 HydrophobicContact CE2-CG 4.2Å; F540-F563 HydrophobicContact CE2-CZ 4.08Å; F550-F563 AromaticContact CD1-CE2 3.94Å; F550-F563 HydrophobicContact CD1-CE2 3.94Å; F550-F563 AromaticContact CD1-CZ 3.53Å; F550-F563 HydrophobicContact CD1-CZ 3.53Å; F550-F563 HydrophobicContact CE1-CE1 4.15Å; F550-F563 AromaticContact CE1-CE2 3.43Å; F550-F563 HydrophobicContact CE1-CE2 3.43Å; F550-F563 VanDerWaalsContact CE1-CE2 3.43Å; F550-F563 AromaticContact CE1-CZ 3.11Å; F550-F563 HydrophobicContact CE1-CZ 3.11Å; F550-F563 AromaticContact CZ-CE2 3.88Å; F550-F563 HydrophobicContact CZ-CE2 3.88Å; F550-F563 HydrophobicContact CZ-CZ 4.01Å; Y554-F563 HydrophobicContact CD2-CE2 4.43Å; Y554-F563 HydrophobicContact CG-CD2 4.34Å; Y554-F563 AromaticContact CG-CE2 3.97Å; Y554-F563 HydrophobicContact CG-CE2 3.97Å; F563-V565 PolarHBondContact O-N 3.09Å
564	L	72.4	Confident	66.3	Low	62 Å²	62	74.8 Å²	74.8	33%	0.325	37%	0.368	S	S	.	.			trans	62.5	-33.9	179.9	-63.2	175.3	0	0	0	115.7	L490 C536 K561 C567	L490-L564 HydrophobicContact CD1-CB 4.3Å; L490-L564 WeakPolarHBondContact CD1-O 3.17Å; C536-L564 WeakPolarHBondContact O-CD1 3.49Å; K561-L564 WeakPolarHBondContact O-CD2 3.5Å; L564-C567 VanDerWaalsContact O-CB 3.28Å; L564-C567 WeakPolarHBondContact O-CB 3.2Å
565	V	82.1	Confident	66.8	Low	0 Å²	0	78.8 Å²	78.8	0%	0	39%	0.388	C	S	.	.	S	Bend	trans	-143.6	131.6	176.6	-172.9	0	0	0	0	109.7	L483 E487 L490 T491 A513 G514 L515 L537 F563	L483-V565 HydrophobicContact CD2-CG1 4.25Å; E487-V565 HydrophobicContact CB-CG1 3.71Å; E487-V565 HydrophobicContact CB-CG2 4.43Å; E487-V565 HydrophobicContact CG-CG1 3.8Å; L490-V565 HydrophobicContact CB-CG2 3.72Å; L490-V565 HydrophobicContact CD1-CG2 3.78Å; L490-V565 HydrophobicContact CG-CG2 4.41Å; T491-V565 HydrophobicContact CG2-CG1 4.22Å; T491-V565 HydrophobicContact CG2-CG2 4.25Å; A513-V565 HydrophobicContact CB-CB 4.48Å; G514-V565 VanDerWaalsContact CA-O 3.26Å; G514-V565 WeakPolarHBondContact CA-O 3.48Å; G514-V565 PolarHBondContact N-O 2.9Å; L515-V565 HydrophobicContact CD1-CB 4.03Å; L515-V565 HydrophobicContact CD1-CG1 3.66Å; L515-V565 HydrophobicContact CD2-CG1 3.7Å; L515-V565 HydrophobicContact CG-CB 4.18Å; L515-V565 HydrophobicContact CG-CG1 3.78Å; L537-V565 HydrophobicContact CD2-CB 4.3Å; L537-V565 HydrophobicContact CD2-CG2 3.84Å; F563-V565 PolarHBondContact O-N 3.09Å
566	P	79.8	Confident	67.5	Low	12 Å²	12	78 Å²	78	8%	0.078	38%	0.384	C	S	.	.	S	Bend	cis	-66.7	150.9	-1.4	29.9	-36.1	0	0	0	113	E487 I555 L573 F576	E487-P566 WeakPolarHBondContact OE1-CA 3.19Å; E487-P566 WeakPolarHBondContact OE1-CB 3.29Å; I555-P566 HydrophobicContact CG2-CG 4.48Å; P566-L573 HydrophobicContact CB-CD2 4.02Å; P566-L573 HydrophobicContact CG-CD2 3.98Å; P566-F576 HydrophobicContact CB-CB 4.42Å; P566-F576 HydrophobicContact CB-CD1 4.25Å; P566-F576 HydrophobicContact CB-CD2 3.7Å; P566-F576 HydrophobicContact CB-CE1 4.48Å; P566-F576 HydrophobicContact CB-CE2 3.97Å; P566-F576 HydrophobicContact CB-CG 3.86Å; P566-F576 HydrophobicContact CB-CZ 4.35Å; P566-F576 HydrophobicContact CG-CD1 3.83Å; P566-F576 HydrophobicContact CG-CD2 4.19Å; P566-F576 HydrophobicContact CG-CE1 4.01Å; P566-F576 HydrophobicContact CG-CE2 4.38Å; P566-F576 HydrophobicContact CG-CG 3.92Å; P566-F576 HydrophobicContact CG-CZ 4.29Å
567	C	76	Confident	68.8	Low	28 Å²	28	74.9 Å²	74.9	19%	0.189	37%	0.369	C	S	.	.			trans	-138.3	150.3	177.7	63.9	0	0	0	0	111.3	E487 L564	E487-C567 VanDerWaalsContact CG-SG 3.51Å; E487-C567 PolarHBondContact OE1-N 3.37Å; L564-C567 VanDerWaalsContact O-CB 3.28Å; L564-C567 WeakPolarHBondContact O-CB 3.2Å
568	G	71.6	Confident	70.3	Confident	28 Å²	28	69.3 Å²	69.3	29%	0.289	35%	0.349	S	S	.	.	S	Bend	trans	147.2	-161.1	177.7	0	0	0	0	0	113.1
569	S	71.8	Confident	72.3	Confident	55 Å²	55	63.6 Å²	63.6	39%	0.385	32%	0.319	S	S	.	.			trans	-65.1	158.4	173.5	66.9	0	0	0	0	111.4	Q571 R572 L573	S569-Q571 PolarHBondContact O-N 3.32Å; S569-R572 WeakPolarHBondContact O-CB 3.02Å; S569-R572 PolarHBondContact O-N 3.16Å; S569-R572 PolarHBondContact OG-N 3.06Å; S569-L573 PolarHBondContact O-N 3.22Å; S569-L573 VanDerWaalsContact O-N 3.16Å
570	P	73.2	Confident	74.7	Confident	78 Å²	78	65.6 Å²	65.6	51%	0.506	32%	0.324	S	S	.	.	H	α-helix	trans	-54	-35.9	173.1	-26.4	35.4	0	0	0	113.4	L573 Q574	P570-L573 PolarHBondContact O-N 2.92Å; P570-Q574 WeakPolarHBondContact O-CG 3.01Å; P570-Q574 PolarHBondContact O-N 3.13Å; P570-Q574 VanDerWaalsContact O-N 3.1Å
571	Q	72.8	Confident	76.6	Confident	138 Å²	138	58.4 Å²	58.4	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-44.5	174.8	-67.7	166.5	-20.3	0	0	111.8	S569 L573 Q574 Q575	S569-Q571 PolarHBondContact O-N 3.32Å; Q571-L573 VanDerWaalsContact C-N 3.29Å; Q571-L573 PolarHBondContact O-N 2.77Å; Q571-Q574 WeakPolarHBondContact O-CB 3.45Å; Q571-Q574 PolarHBondContact O-N 3.05Å; Q571-Q575 WeakPolarHBondContact O-CG 3.48Å; Q571-Q575 PolarHBondContact O-N 3.45Å; Q571-Q575 VanDerWaalsContact O-N 3.09Å
572	R	76.7	Confident	78.2	Confident	32 Å²	32	54.9 Å²	54.9	12%	0.121	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-38.6	176.6	166.9	58	-164.1	136.5	-15.2	112.2	L482 T484 E487 S569 Q575 F576	L482-R572 PolarHBondContact O-NH2 3.23Å; T484-R572 HydrophobicContact CG2-CG 4.19Å; E487-R572 IonicContact OE1-NE 3.12Å; E487-R572 IonicContact OE1-NH2 3.71Å; E487-R572 IonicContact OE2-CZ 2.7Å; E487-R572 IonicContact OE2-NE 3.17Å; E487-R572 IonicContact OE2-NH2 3.99Å; E487-R572 PolarHBondContact OE2-NH2 3.15Å; S569-R572 WeakPolarHBondContact O-CB 3.02Å; S569-R572 PolarHBondContact O-N 3.16Å; S569-R572 PolarHBondContact OG-N 3.06Å; R572-Q575 PolarHBondContact O-N 3.21Å; R572-F576 PolarHBondContact O-N 2.97Å; R572-F576 VanDerWaalsContact O-N 3.12Å
573	L	76.1	Confident	80	Confident	27 Å²	27	55 Å²	55	14%	0.141	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-36	177	-66.9	172.8	0	0	0	112.1	I555 P566 S569 P570 Q571 Q575 F576	I555-L573 HydrophobicContact CG2-CD2 4.48Å; P566-L573 HydrophobicContact CB-CD2 4.02Å; P566-L573 HydrophobicContact CG-CD2 3.98Å; S569-L573 PolarHBondContact O-N 3.22Å; S569-L573 VanDerWaalsContact O-N 3.16Å; P570-L573 PolarHBondContact O-N 2.92Å; Q571-L573 VanDerWaalsContact C-N 3.29Å; Q571-L573 PolarHBondContact O-N 2.77Å; L573-Q575 VanDerWaalsContact C-N 3.27Å; L573-Q575 PolarHBondContact O-N 3.34Å; L573-F576 PolarHBondContact O-N 3.46Å
574	Q	76.9	Confident	81.5	Confident	125 Å²	125	55.2 Å²	55.2	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-64.5	-33.1	172.7	-69.7	172.4	-1.8	0	0	112.2	P570 Q571 F576	P570-Q574 WeakPolarHBondContact O-CG 3.01Å; P570-Q574 PolarHBondContact O-N 3.13Å; P570-Q574 VanDerWaalsContact O-N 3.1Å; Q571-Q574 WeakPolarHBondContact O-CB 3.45Å; Q571-Q574 PolarHBondContact O-N 3.05Å; Q574-F576 VanDerWaalsContact C-N 3.35Å
575	Q	78.1	Confident	82.5	Confident	130 Å²	130	52.7 Å²	52.7	61%	0.607	28%	0.282	S	S	*	.	H	α-helix	trans	-78	-15.6	175.2	-67.1	172.1	-10.1	0	0	113.7	Q571 R572 L573	Q571-Q575 WeakPolarHBondContact O-CG 3.48Å; Q571-Q575 PolarHBondContact O-N 3.45Å; Q571-Q575 VanDerWaalsContact O-N 3.09Å; R572-Q575 PolarHBondContact O-N 3.21Å; L573-Q575 VanDerWaalsContact C-N 3.27Å; L573-Q575 PolarHBondContact O-N 3.34Å
576	F	82	Confident	82.9	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.026	28%	0.282	C	S	.	.	S	Bend	trans	-71.3	125.6	-179.3	-173.9	-97.7	0	0	0	109.8	L483 L515 P566 R572 L573 Q574 P626	L483-F576 HydrophobicContact CD2-CE2 4.09Å; L515-F576 HydrophobicContact CD2-CE2 4.2Å; L515-F576 HydrophobicContact CD2-CZ 3.8Å; P566-F576 HydrophobicContact CB-CB 4.42Å; P566-F576 HydrophobicContact CB-CD1 4.25Å; P566-F576 HydrophobicContact CB-CD2 3.7Å; P566-F576 HydrophobicContact CB-CE1 4.48Å; P566-F576 HydrophobicContact CB-CE2 3.97Å; P566-F576 HydrophobicContact CB-CG 3.86Å; P566-F576 HydrophobicContact CB-CZ 4.35Å; P566-F576 HydrophobicContact CG-CD1 3.83Å; P566-F576 HydrophobicContact CG-CD2 4.19Å; P566-F576 HydrophobicContact CG-CE1 4.01Å; P566-F576 HydrophobicContact CG-CE2 4.38Å; P566-F576 HydrophobicContact CG-CG 3.92Å; P566-F576 HydrophobicContact CG-CZ 4.29Å; R572-F576 PolarHBondContact O-N 2.97Å; R572-F576 VanDerWaalsContact O-N 3.12Å; L573-F576 PolarHBondContact O-N 3.46Å; Q574-F576 VanDerWaalsContact C-N 3.35Å; F576-P626 HydrophobicContact CE1-CG 4.45Å; F576-P626 HydrophobicContact CZ-CB 4.24Å; F576-P626 HydrophobicContact CZ-CG 3.84Å
577	P	83.9	Confident	83.2	Confident	25 Å²	25	54.9 Å²	54.9	16%	0.162	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.5	141.2	-178.6	26.1	-32	0	0	0	111	L482 P626 L627	L482-P577 HydrophobicContact CB-CG 4.45Å; L482-P577 HydrophobicContact CD1-CG 3.87Å; L482-P577 HydrophobicContact CD2-CG 4.2Å; L482-P577 HydrophobicContact CG-CG 4.4Å; P577-P626 HydrophobicContact CG-CB 4.14Å; P577-L627 HydrophobicContact CB-CD1 4.27Å; P577-L627 HydrophobicContact CB-CD2 3.57Å; P577-L627 HydrophobicContact CB-CG 3.68Å; P577-L627 HydrophobicContact CG-CD1 4.46Å; P577-L627 HydrophobicContact CG-CG 4.14Å
578	G	84.2	Confident	83.6	Confident	27 Å²	27	59.1 Å²	59.1	28%	0.278	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-60	161.6	173	0	0	0	0	0	112.9	L627	G578-L627 PolarHBondContact O-N 3.06Å; G578-L627 VanDerWaalsContact O-N 3.08Å
579	L	90.6	Very high	84	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.8	173.6	-55.1	-179.4	0	0	0	109.9	F108 Y551 W624 T625 P626	F108-L579 HydrophobicContact CE1-CB 4.22Å; Y551-L579 HydrophobicContact CD2-CD1 4.46Å; Y551-L579 HydrophobicContact CE2-CD1 3.55Å; Y551-L579 HydrophobicContact CE2-CG 4.28Å; Y551-L579 WeakPolarHBondContact OH-CG 3.43Å; L579-W624 HydrophobicContact CB-CB 4.19Å; L579-W624 HydrophobicContact CB-CE3 4.44Å; L579-W624 HydrophobicContact CD1-CB 4.44Å; L579-T625 WeakPolarHBondContact CA-O 3.41Å; L579-P626 HydrophobicContact CD2-CB 4.4Å; L579-P626 HydrophobicContact CD2-CG 3.87Å
580	Q	92.3	Very high	84.4	Confident	84 Å²	84	61 Å²	61	39%	0.393	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.2	170.5	-61.4	176.7	-17.2	0	0	109.5	W624 T625 L627 G628	Q580-W624 VanDerWaalsContact C-CE3 3.43Å; Q580-W624 WeakPolarHBondContact O-CA 3.4Å; Q580-T625 PolarHBondContact N-O 3.49Å; Q580-T625 PolarHBondContact O-N 2.84Å; Q580-L627 PolarHBondContact OE1-O 2.79Å; Q580-G628 WeakPolarHBondContact O-CA 3.26Å
581	C	92.7	Very high	84.7	Confident	33 Å²	33	59.6 Å²	59.6	22%	0.223	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	153.9	-176	57.3	0	0	0	0	113.4	V622 V623 W624	C581-V622 HydrophobicContact CB-CG1 3.5Å; C581-V623 CarbonylContact C-O 3.51Å; C581-V623 VanDerWaalsContact CA-O 3.27Å; C581-V623 WeakPolarHBondContact CA-O 3.5Å; C581-W624 HydrophobicContact CB-CD2 3.53Å; C581-W624 HydrophobicContact CB-CE3 3.49Å; C581-W624 VanDerWaalsContact CB-CE3 3.49Å; C581-W624 HydrophobicContact CB-CG 4.25Å; C581-W624 HydrophobicContact CB-CH2 3.47Å; C581-W624 VanDerWaalsContact CB-CH2 3.47Å; C581-W624 HydrophobicContact CB-CZ2 3.59Å; C581-W624 HydrophobicContact CB-CZ3 3.43Å; C581-W624 VanDerWaalsContact CB-CZ3 3.43Å; C581-W624 VanDerWaalsContact N-CE3 3.25Å; C581-W624 VanDerWaalsContact SG-CH2 3.57Å
582	K	93.1	Very high	85.2	Confident	111 Å²	111	53.2 Å²	53.2	48%	0.483	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.5	160	-171.5	174.6	179.3	179.9	0	108.8	V623 I631	K582-V623 PolarHBondContact N-O 3.09Å; K582-V623 PolarHBondContact O-N 3.43Å; K582-I631 HydrophobicContact CB-CD1 3.86Å; K582-I631 HydrophobicContact CD-CB 4.48Å
583	Q	93.7	Very high	85.5	Confident	139 Å²	139	56.8 Å²	56.8	65%	0.65	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.6	170.1	-174.3	172.5	-30	0	0	109.3	T620	Q583-T620 HydrophobicContact CG-CG2 3.88Å
584	V	92.5	Very high	85.7	Confident	11 Å²	11	63.3 Å²	63.3	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.5	-178	177.1	0	0	0	0	108.7	L586 V600 Y621 V623 I631 T633	V584-L586 HydrophobicContact CG1-CD2 4.36Å; V584-V600 HydrophobicContact CG1-CG2 4.41Å; V584-Y621 PolarHBondContact N-O 3.37Å; V584-Y621 PolarHBondContact O-N 2.8Å; V584-V623 HydrophobicContact CB-CG2 4.11Å; V584-V623 HydrophobicContact CG2-CB 4.2Å; V584-V623 HydrophobicContact CG2-CG2 3.76Å; V584-I631 HydrophobicContact CG2-CG2 3.61Å; V584-T633 HydrophobicContact CG1-CG2 3.28Å
585	S	92.1	Very high	86	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.063	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.6	170.9	173.4	0	0	0	0	109.5	L587 E588	S585-L587 PolarHBondContact O-N 3.21Å; S585-L587 PolarHBondContact OG-N 3.37Å; S585-E588 WeakPolarHBondContact CB-OE1 3.09Å; S585-E588 PolarHBondContact O-N 3.32Å
586	L	91.2	Very high	86.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-1.7	176.8	-52.4	-177.1	0	0	0	113.4	V584 V598 V600 F610 N619 Y621 T633	V584-L586 HydrophobicContact CG1-CD2 4.36Å; L586-V598 HydrophobicContact CB-CB 4.4Å; L586-V598 HydrophobicContact CB-CG2 4.4Å; L586-V598 HydrophobicContact CD2-CB 4.16Å; L586-V598 HydrophobicContact CD2-CG1 3.89Å; L586-V600 HydrophobicContact CD2-CG2 3.91Å; L586-F610 HydrophobicContact CD1-CB 3.44Å; L586-F610 VanDerWaalsContact CD1-CB 3.44Å; L586-F610 HydrophobicContact CD1-CG 4Å; L586-N619 HydrophobicContact CB-CB 4.07Å; L586-N619 WeakPolarHBondContact CG-O 3.41Å; L586-N619 PolarHBondContact N-O 3.4Å; L586-Y621 HydrophobicContact CD1-CD2 4.14Å; L586-Y621 HydrophobicContact CD1-CE2 3.46Å; L586-Y621 VanDerWaalsContact CD1-CE2 3.46Å; L586-Y621 HydrophobicContact CD2-CD2 4.39Å; L586-Y621 HydrophobicContact CG-CD2 3.99Å; L586-Y621 HydrophobicContact CG-CE2 3.76Å; L586-T633 HydrophobicContact CD2-CG2 4.36Å
587	L	86.7	Confident	86.7	Confident	58 Å²	58	59 Å²	59	30%	0.304	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-11.4	176	-59.9	179.5	0	0	0	112.6	S585 R612 K616 N619	S585-L587 PolarHBondContact O-N 3.21Å; S585-L587 PolarHBondContact OG-N 3.37Å; L587-R612 HydrophobicContact CD2-CG 3.9Å; L587-K616 HydrophobicContact CD1-CB 4.14Å; L587-K616 HydrophobicContact CD1-CG 4.33Å; L587-N619 HydrophobicContact CD1-CB 4.33Å; L587-N619 HydrophobicContact CD2-CB 4.38Å; L587-N619 HydrophobicContact CG-CB 3.89Å
588	E	83.1	Confident	87.1	Confident	118 Å²	118	57.8 Å²	57.8	55%	0.551	32%	0.321	S	S	*	.			trans	-97.5	140.2	-175.3	-71.5	170.6	-159	0	0	111.8	S585 V592	S585-E588 WeakPolarHBondContact CB-OE1 3.09Å; S585-E588 PolarHBondContact O-N 3.32Å; E588-V592 WeakPolarHBondContact O-CG2 3.44Å
589	G	80.3	Confident	87.5	Confident	41 Å²	41	56.6 Å²	56.6	42%	0.423	31%	0.308	S	S	.	.			trans	111.6	127.5	178.4	0	0	0	0	0	112.4	L591 V592 Q593	G589-L591 VanDerWaalsContact C-N 3.32Å; G589-L591 PolarHBondContact O-N 2.82Å; G589-V592 WeakPolarHBondContact O-CG2 3.49Å; G589-V592 PolarHBondContact O-N 2.84Å; G589-Q593 VanDerWaalsContact O-CG 3.25Å; G589-Q593 WeakPolarHBondContact O-CG 3.35Å; G589-Q593 PolarHBondContact O-N 3.42Å
590	T	79.9	Confident	87.6	Confident	82 Å²	82	56.2 Å²	56.2	50%	0.503	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58	-39.6	-179.3	37	0	0	0	0	112.9	E319 V592	E319-T590 VanDerWaalsContact OE1-CB 3.24Å; E319-T590 WeakPolarHBondContact OE1-CB 3.17Å; E319-T590 PolarHBondContact OE1-OG1 2.92Å; E319-T590 PolarHBondContact OE2-OG1 3.45Å; T590-V592 VanDerWaalsContact C-N 3.29Å; T590-V592 PolarHBondContact O-N 2.52Å
591	L	80.4	Confident	87.7	Confident	47 Å²	47	52.2 Å²	52.2	25%	0.246	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-74.6	-13.3	-179.1	-58.7	174.6	0	0	0	114.7	Y312 F316 E319 G589 P635	Y312-L591 HydrophobicContact CD2-CB 4.03Å; Y312-L591 HydrophobicContact CD2-CD1 4.01Å; Y312-L591 HydrophobicContact CD2-CG 4.49Å; Y312-L591 HydrophobicContact CE2-CB 3.67Å; Y312-L591 HydrophobicContact CE2-CD1 3.52Å; Y312-L591 HydrophobicContact CE2-CG 4.19Å; F316-L591 HydrophobicContact CB-CD1 3.79Å; F316-L591 HydrophobicContact CD2-CD1 3.92Å; F316-L591 HydrophobicContact CG-CD1 4.36Å; E319-L591 VanDerWaalsContact OE1-CD2 3.23Å; E319-L591 WeakPolarHBondContact OE1-CD2 3.4Å; E319-L591 VanDerWaalsContact OE1-CG 3.26Å; E319-L591 WeakPolarHBondContact OE1-CG 3.29Å; E319-L591 WeakPolarHBondContact OE2-CD1 3.24Å; E319-L591 VanDerWaalsContact OE2-CG 3.29Å; E319-L591 WeakPolarHBondContact OE2-CG 3.26Å; G589-L591 VanDerWaalsContact C-N 3.32Å; G589-L591 PolarHBondContact O-N 2.82Å; L591-P635 WeakPolarHBondContact O-CG 3.38Å
592	V	83.4	Confident	87.6	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.024	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-108.8	0.1	-178	-63.7	0	0	0	0	113.5	E588 G589 T590 D594 A595 V598 R612 P635	E588-V592 WeakPolarHBondContact O-CG2 3.44Å; G589-V592 WeakPolarHBondContact O-CG2 3.49Å; G589-V592 PolarHBondContact O-N 2.84Å; T590-V592 VanDerWaalsContact C-N 3.29Å; T590-V592 PolarHBondContact O-N 2.52Å; V592-D594 VanDerWaalsContact C-N 3.26Å; V592-D594 PolarHBondContact O-N 3.38Å; V592-A595 WeakPolarHBondContact O-CB 3.4Å; V592-A595 PolarHBondContact O-N 2.78Å; V592-V598 HydrophobicContact CB-CG2 4.36Å; V592-V598 HydrophobicContact CG1-CG1 4.26Å; V592-R612 PolarHBondContact O-NH1 3.31Å; V592-P635 HydrophobicContact CG1-CG 4.07Å
593	Q	81.3	Confident	87.3	Confident	108 Å²	108	45.5 Å²	45.5	51%	0.505	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.9	-173.4	-65.4	-176.8	-8	0	0	113.1	G589 R612	G589-Q593 VanDerWaalsContact O-CG 3.25Å; G589-Q593 WeakPolarHBondContact O-CG 3.35Å; G589-Q593 PolarHBondContact O-N 3.42Å; Q593-R612 PolarHBondContact O-NH1 3.46Å; Q593-R612 PolarHBondContact O-NH2 3.32Å
594	D	81.4	Confident	86.6	Confident	164 Å²	164	39.8 Å²	39.8	88%	0.877	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	0.5	-179.2	-58.3	-39.1	0	0	0	113.4	V592 A596	V592-D594 VanDerWaalsContact C-N 3.26Å; V592-D594 PolarHBondContact O-N 3.38Å; D594-A596 PolarHBondContact O-N 3.01Å
595	A	83.7	Confident	86.4	Confident	17 Å²	17	39.5 Å²	39.5	14%	0.14	23%	0.228	C	C	.	.			trans	-83.1	118.4	-174.2	0	0	0	0	0	111.4	V592 K597 V598 P635	V592-A595 WeakPolarHBondContact O-CB 3.4Å; V592-A595 PolarHBondContact O-N 2.78Å; A595-K597 VanDerWaalsContact C-N 3.26Å; A595-K597 PolarHBondContact O-N 2.79Å; A595-V598 HydrophobicContact CB-CG2 4.32Å; A595-P635 HydrophobicContact CB-CB 4.01Å; A595-P635 HydrophobicContact CB-CG 4.44Å
596	A	85.8	Confident	86.3	Confident	78 Å²	78	39.6 Å²	39.6	65%	0.645	23%	0.231	S	C	*	.	S	Bend	trans	-68.2	-27.1	172.4	0	0	0	0	0	113	D594 R612	D594-A596 PolarHBondContact O-N 3.01Å; A596-R612 WeakPolarHBondContact O-CB 3.44Å; A596-R612 PolarHBondContact O-N 3.3Å
597	K	88.9	Confident	86.4	Confident	75 Å²	75	39.9 Å²	39.9	33%	0.326	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.8	175.5	-67	-179.1	-178.3	173.9	0	109.9	A595 F610 S636	A595-K597 VanDerWaalsContact C-N 3.26Å; A595-K597 PolarHBondContact O-N 2.79Å; K597-F610 CarbonylContact C-O 3.27Å; K597-F610 WeakPolarHBondContact CA-O 3.34Å; K597-F610 WeakPolarHBondContact CB-O 3.4Å; K597-S636 WeakPolarHBondContact O-CB 3.42Å; K597-S636 PolarHBondContact O-N 3.48Å
598	V	91.7	Very high	86.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.4	-177.2	-177.7	0	0	0	0	108.6	L586 V592 A595 F610 T633 R634	L586-V598 HydrophobicContact CB-CB 4.4Å; L586-V598 HydrophobicContact CB-CG2 4.4Å; L586-V598 HydrophobicContact CD2-CB 4.16Å; L586-V598 HydrophobicContact CD2-CG1 3.89Å; V592-V598 HydrophobicContact CB-CG2 4.36Å; V592-V598 HydrophobicContact CG1-CG1 4.26Å; A595-V598 HydrophobicContact CB-CG2 4.32Å; V598-F610 PolarHBondContact N-O 3.08Å; V598-F610 PolarHBondContact O-N 3.43Å; V598-T633 HydrophobicContact CG1-CG2 4.33Å; V598-R634 CarbonylContact C-O 3.13Å; V598-R634 WeakPolarHBondContact CA-O 3.14Å; V598-R634 WeakPolarHBondContact CG1-O 3.25Å
599	D	92.6	Very high	87.2	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.4	172.1	-64.2	-13.1	0	0	0	109.3	A608 S609 T633 R634 S636	D599-A608 CarbonylContact C-O 3.5Å; D599-A608 WeakPolarHBondContact CA-O 3.29Å; D599-S609 WeakPolarHBondContact OD1-CB 3.32Å; D599-S609 PolarHBondContact OD1-OG 3.43Å; D599-T633 WeakPolarHBondContact O-CA 3.21Å; D599-R634 HydrophobicContact CB-CG 3.83Å; D599-R634 PolarHBondContact N-O 2.76Å; D599-R634 PolarHBondContact O-N 3.08Å; D599-R634 IonicContact OD2-NE 2.75Å; D599-S636 WeakPolarHBondContact OD1-CA 2.86Å; D599-S636 WeakPolarHBondContact OD1-CB 3.36Å; D599-S636 PolarHBondContact OD1-OG 3.34Å; D599-S636 WeakPolarHBondContact OD2-CA 3.35Å
600	V	93.9	Very high	87.8	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.7	163.8	178.7	0	0	0	0	107.3	V584 L586 L602 W607 A608 F610 V623 Y632	V584-V600 HydrophobicContact CG1-CG2 4.41Å; L586-V600 HydrophobicContact CD2-CG2 3.91Å; V600-L602 HydrophobicContact CG1-CD2 4.4Å; V600-W607 CarbonylContact O-C 3.54Å; V600-W607 VanDerWaalsContact O-CA 3.23Å; V600-W607 WeakPolarHBondContact O-CA 3.43Å; V600-W607 VanDerWaalsContact O-CB 3.31Å; V600-W607 WeakPolarHBondContact O-CB 3.22Å; V600-A608 PolarHBondContact N-O 3.2Å; V600-A608 PolarHBondContact O-N 3.01Å; V600-F610 HydrophobicContact CB-CD2 4.35Å; V600-F610 HydrophobicContact CB-CE2 3.83Å; V600-F610 HydrophobicContact CG2-CD2 3.73Å; V600-F610 HydrophobicContact CG2-CE2 3.5Å; V600-F610 HydrophobicContact CG2-CZ 4.44Å; V600-V623 HydrophobicContact CG1-CG1 4.2Å; V600-V623 HydrophobicContact CG1-CG2 3.95Å; V600-Y632 CarbonylContact C-O 3.48Å; V600-Y632 WeakPolarHBondContact CA-O 3.5Å
601	V	92.9	Very high	88.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130.1	179.2	-173.7	0	0	0	0	109.2	W607 G630 Y632 R634	V601-W607 HydrophobicContact CG2-CB 4.45Å; V601-G630 VanDerWaalsContact O-O 3.11Å; V601-Y632 PolarHBondContact N-O 3.03Å; V601-Y632 PolarHBondContact O-N 3.21Å; V601-R634 HydrophobicContact CG2-CG 3.84Å
602	L	92	Very high	88.6	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	99.7	176	-56.3	171.5	0	0	0	107	L512 A516 I518 V600 S604 I605 G606 V623 T625	L512-L602 HydrophobicContact CD2-CD1 4.22Å; A516-L602 HydrophobicContact CB-CD1 3.7Å; A516-L602 HydrophobicContact CB-CD2 4.27Å; A516-L602 HydrophobicContact CB-CG 4.44Å; I518-L602 HydrophobicContact CD1-CD1 4.45Å; V600-L602 HydrophobicContact CG1-CD2 4.4Å; L602-S604 PolarHBondContact O-N 3.23Å; L602-S604 VanDerWaalsContact O-N 3.09Å; L602-I605 HydrophobicContact CB-CB 4.19Å; L602-I605 HydrophobicContact CB-CD1 4.42Å; L602-I605 PolarHBondContact O-N 3.26Å; L602-G606 CarbonylContact C-O 3.57Å; L602-G606 WeakPolarHBondContact CA-O 3.42Å; L602-G606 PolarHBondContact N-O 3.09Å; L602-G606 PolarHBondContact O-N 3.18Å; L602-V623 HydrophobicContact CD2-CG1 3.55Å; L602-T625 HydrophobicContact CD2-CG2 3.92Å
603	S	85.4	Confident	88.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	120.9	-164.3	-176.4	0	0	0	0	112.8	D277 C280 I605 G630	D277-S603 WeakPolarHBondContact OD1-CA 3.45Å; D277-S603 WeakPolarHBondContact OD1-CB 3.41Å; D277-S603 PolarHBondContact OD1-OG 3.11Å; C280-S603 VanDerWaalsContact CB-CB 3.41Å; C280-S603 WeakPolarHBondContact CB-OG 3.4Å; S603-I605 PolarHBondContact O-N 3.15Å; S603-G630 PolarHBondContact N-O 2.75Å
604	S	79.7	Confident	88.9	Confident	20 Å²	20	33.5 Å²	33.5	14%	0.14	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-2	177.6	-51.3	0	0	0	0	117.1	D277 L480 L602	D277-S604 PolarHBondContact OD1-N 2.65Å; D277-S604 PolarHBondContact OD1-OG 3.42Å; D277-S604 PolarHBondContact OD2-OG 3.23Å; L480-S604 WeakPolarHBondContact CD1-OG 3.2Å; L480-S604 VanDerWaalsContact CG-OG 3.27Å; L480-S604 WeakPolarHBondContact CG-OG 3.35Å; L602-S604 PolarHBondContact O-N 3.23Å; L602-S604 VanDerWaalsContact O-N 3.09Å
605	I	88.7	Confident	89.1	Confident	5 Å²	5	27.6 Å²	27.6	3%	0.026	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-43.1	173.3	-54.4	161.2	0	0	0	109.2	V479 L512 L515 A516 A533 L537 L602 S603	V479-I605 HydrophobicContact CG1-CD1 4.35Å; V479-I605 HydrophobicContact CG1-CG1 4.48Å; V479-I605 HydrophobicContact CG2-CD1 4.41Å; L512-I605 HydrophobicContact CD2-CG2 3.48Å; L512-I605 VanDerWaalsContact CD2-CG2 3.48Å; L512-I605 HydrophobicContact CG-CG2 4.07Å; L515-I605 HydrophobicContact CB-CD1 3.79Å; L515-I605 HydrophobicContact CB-CG1 4.18Å; L515-I605 HydrophobicContact CB-CG2 4.21Å; L515-I605 HydrophobicContact CD1-CG1 4.23Å; L515-I605 HydrophobicContact CD1-CG2 4.22Å; A516-I605 HydrophobicContact CB-CD1 4.21Å; A533-I605 WeakPolarHBondContact CB-O 3.23Å; L537-I605 HydrophobicContact CD1-CG2 3.96Å; L602-I605 HydrophobicContact CB-CB 4.19Å; L602-I605 HydrophobicContact CB-CD1 4.42Å; L602-I605 PolarHBondContact O-N 3.26Å; S603-I605 PolarHBondContact O-N 3.15Å
606	G	90	Very high	89.2	Confident	11 Å²	11	33.3 Å²	33.3	11%	0.113	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-155.4	-177.2	0	0	0	0	0	112.7	Y532 L602	Y532-G606 CarbonylContact O-C 3.59Å; Y532-G606 WeakPolarHBondContact O-CA 3.3Å; L602-G606 CarbonylContact C-O 3.57Å; L602-G606 WeakPolarHBondContact CA-O 3.42Å; L602-G606 PolarHBondContact N-O 3.09Å; L602-G606 PolarHBondContact O-N 3.18Å
607	W	92.8	Very high	89.2	Confident	5 Å²	5	34.4 Å²	34.4	2%	0.019	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.5	169.2	67.3	96	0	0	0	111.1	L276 L497 Y532 V600 V601 L646 I648	L276-W607 HydrophobicContact CB-CZ3 4.3Å; L276-W607 HydrophobicContact CD2-CH2 4Å; L276-W607 HydrophobicContact CD2-CZ3 4Å; L497-W607 HydrophobicContact CD1-CH2 3.65Å; L497-W607 HydrophobicContact CD1-CZ3 3.71Å; Y532-W607 AromaticContact CD1-CZ2 3.88Å; Y532-W607 HydrophobicContact CD1-CZ2 3.88Å; Y532-W607 AromaticContact CD2-CD1 3.75Å; Y532-W607 HydrophobicContact CD2-CD2 4.45Å; Y532-W607 AromaticContact CD2-CE2 3.64Å; Y532-W607 HydrophobicContact CD2-CG 4.5Å; Y532-W607 HydrophobicContact CD2-CZ2 4.01Å; Y532-W607 AromaticContact CD2-NE1 3.17Å; Y532-W607 AromaticContact CE2-NE1 3.81Å; Y532-W607 HydrophobicContact CG-CD2 4.37Å; Y532-W607 AromaticContact CG-CE2 3.54Å; Y532-W607 HydrophobicContact CG-CH2 4.27Å; Y532-W607 AromaticContact CG-CZ2 3.48Å; Y532-W607 HydrophobicContact CG-CZ2 3.48Å; Y532-W607 VanDerWaalsContact CG-CZ2 3.48Å; Y532-W607 AromaticContact CG-NE1 3.61Å; Y532-W607 PolarHBondContact N-O 2.79Å; Y532-W607 PolarHBondContact O-N 2.91Å; V600-W607 CarbonylContact O-C 3.54Å; V600-W607 VanDerWaalsContact O-CA 3.23Å; V600-W607 WeakPolarHBondContact O-CA 3.43Å; V600-W607 VanDerWaalsContact O-CB 3.31Å; V600-W607 WeakPolarHBondContact O-CB 3.22Å; V601-W607 HydrophobicContact CG2-CB 4.45Å; W607-L646 HydrophobicContact CH2-CD2 3.71Å; W607-L646 HydrophobicContact CZ2-CD2 3.57Å; W607-I648 HydrophobicContact CH2-CD1 3.56Å; W607-I648 HydrophobicContact CZ2-CD1 4.48Å; W607-I648 HydrophobicContact CZ3-CD1 4.35Å
608	A	93.9	Very high	89.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.4	173.5	0	0	0	0	0	109.4	I518 V529 K530 V531 D599 V600 F610	I518-A608 HydrophobicContact CD1-CB 3.73Å; V529-A608 HydrophobicContact CG1-CB 3.86Å; K530-A608 CarbonylContact O-C 3.52Å; K530-A608 WeakPolarHBondContact O-CA 3.45Å; V531-A608 HydrophobicContact CG2-CB 4.29Å; D599-A608 CarbonylContact C-O 3.5Å; D599-A608 WeakPolarHBondContact CA-O 3.29Å; V600-A608 PolarHBondContact N-O 3.2Å; V600-A608 PolarHBondContact O-N 3.01Å; A608-F610 HydrophobicContact CB-CD2 4.48Å; A608-F610 HydrophobicContact CB-CE2 3.51Å; A608-F610 HydrophobicContact CB-CZ 3.86Å; A608-F610 VanDerWaalsContact O-CD2 3.3Å; A608-F610 WeakPolarHBondContact O-CD2 3.46Å; A608-F610 VanDerWaalsContact O-CE2 3.28Å; A608-F610 WeakPolarHBondContact O-CE2 3.44Å
609	S	93.3	Very high	89.1	Confident	8 Å²	8	31.1 Å²	31.1	6%	0.056	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.5	-179.3	-162.1	0	0	0	0	110.8	K530 D599 S636	K530-S609 PolarHBondContact N-O 3.08Å; K530-S609 PolarHBondContact O-N 3.09Å; D599-S609 WeakPolarHBondContact OD1-CB 3.32Å; D599-S609 PolarHBondContact OD1-OG 3.43Å; S609-S636 PolarHBondContact OG-OG 3.11Å; S609-S636 VanDerWaalsContact OG-OG 3.09Å
610	F	92.6	Very high	89.1	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.4	-175	-62.5	-97.3	0	0	0	110.6	I518 V527 V529 L586 K597 V598 V600 A608 Y621	I518-F610 HydrophobicContact CD1-CE2 4.45Å; I518-F610 HydrophobicContact CD1-CZ 3.99Å; I518-F610 HydrophobicContact CG2-CZ 4.05Å; V527-F610 HydrophobicContact CG1-CD1 4.22Å; V529-F610 HydrophobicContact CB-CE1 4.2Å; V529-F610 HydrophobicContact CG1-CD1 4.32Å; V529-F610 HydrophobicContact CG1-CE1 3.73Å; V529-F610 HydrophobicContact CG1-CE2 4.23Å; V529-F610 HydrophobicContact CG1-CZ 3.64Å; V529-F610 HydrophobicContact CG2-CD1 3.78Å; V529-F610 HydrophobicContact CG2-CE1 3.41Å; V529-F610 VanDerWaalsContact CG2-CE1 3.41Å; V529-F610 HydrophobicContact CG2-CZ 4.2Å; L586-F610 HydrophobicContact CD1-CB 3.44Å; L586-F610 VanDerWaalsContact CD1-CB 3.44Å; L586-F610 HydrophobicContact CD1-CG 4Å; K597-F610 CarbonylContact C-O 3.27Å; K597-F610 WeakPolarHBondContact CA-O 3.34Å; K597-F610 WeakPolarHBondContact CB-O 3.4Å; V598-F610 PolarHBondContact N-O 3.08Å; V598-F610 PolarHBondContact O-N 3.43Å; V600-F610 HydrophobicContact CB-CD2 4.35Å; V600-F610 HydrophobicContact CB-CE2 3.83Å; V600-F610 HydrophobicContact CG2-CD2 3.73Å; V600-F610 HydrophobicContact CG2-CE2 3.5Å; V600-F610 HydrophobicContact CG2-CZ 4.44Å; A608-F610 HydrophobicContact CB-CD2 4.48Å; A608-F610 HydrophobicContact CB-CE2 3.51Å; A608-F610 HydrophobicContact CB-CZ 3.86Å; A608-F610 VanDerWaalsContact O-CD2 3.3Å; A608-F610 WeakPolarHBondContact O-CD2 3.46Å; A608-F610 VanDerWaalsContact O-CE2 3.28Å; A608-F610 WeakPolarHBondContact O-CE2 3.44Å; F610-Y621 AromaticContact CD1-CE1 3.93Å; F610-Y621 HydrophobicContact CD1-CE1 3.93Å; F610-Y621 HydrophobicContact CD1-CE2 4.2Å; F610-Y621 AromaticContact CD1-CZ 3.74Å; F610-Y621 HydrophobicContact CE1-CD1 4.1Å; F610-Y621 AromaticContact CE1-CE1 3.78Å; F610-Y621 HydrophobicContact CE1-CE1 3.78Å
611	T	89.3	Confident	89.2	Confident	53 Å²	53	31.8 Å²	31.8	33%	0.325	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133	169.1	-56	0	0	0	0	109.1	Y613	T611-Y613 WeakPolarHBondContact O-CD2 3.44Å; T611-Y613 WeakPolarHBondContact O-CE2 3.16Å
612	R	87.7	Confident	89.3	Confident	84 Å²	84	33.1 Å²	33.1	32%	0.317	18%	0.175	S	C	.	.			trans	-79.8	137.7	-179.3	-158.2	176.5	102.4	176.6	-2.8	111.1	L587 V592 Q593 A596 N619	L587-R612 HydrophobicContact CD2-CG 3.9Å; V592-R612 PolarHBondContact O-NH1 3.31Å; Q593-R612 PolarHBondContact O-NH1 3.46Å; Q593-R612 PolarHBondContact O-NH2 3.32Å; A596-R612 WeakPolarHBondContact O-CB 3.44Å; A596-R612 PolarHBondContact O-N 3.3Å; R612-N619 WeakPolarHBondContact CA-OD1 2.97Å; R612-N619 VanDerWaalsContact CG-OD1 3.26Å; R612-N619 WeakPolarHBondContact CG-OD1 3.34Å
613	Y	86.6	Confident	89.5	Confident	53 Å²	53	33 Å²	33	21%	0.208	17%	0.174	C	C	.	.			trans	-106.1	167.1	173.9	-71	-89.2	0	0	0	111.5	K525 V527 T611 D618 N619	K525-Y613 HydrophobicContact CD-CD1 3.97Å; K525-Y613 HydrophobicContact CD-CE1 3.86Å; V527-Y613 HydrophobicContact CG1-CE2 4.32Å; V527-Y613 HydrophobicContact CG2-CD2 4.29Å; V527-Y613 HydrophobicContact CG2-CE2 3.63Å; T611-Y613 WeakPolarHBondContact O-CD2 3.44Å; T611-Y613 WeakPolarHBondContact O-CE2 3.16Å; Y613-D618 HydrophobicContact CD2-CB 4.25Å; Y613-D618 HydrophobicContact CG-CB 4.06Å; Y613-N619 VanDerWaalsContact C-ND2 3.33Å; Y613-N619 PolarHBondContact N-ND2 2.88Å; Y613-N619 PolarHBondContact N-OD1 2.98Å; Y613-N619 PolarHBondContact O-ND2 2.66Å
614	P	83.4	Confident	90	Very high	125 Å²	125	33.9 Å²	33.9	81%	0.812	18%	0.178	S	C	*	.	S	Bend	trans	-72.6	-32.3	174.3	-21.8	34.7	0	0	0	114
615	S	86	Confident	90.6	Very high	41 Å²	41	33 Å²	33	29%	0.287	17%	0.171	S	C	.	.	S	Bend	trans	-78.8	135.9	-176.8	34.7	0	0	0	0	111.9	E617 D618 N619	S615-E617 VanDerWaalsContact C-N 3.34Å; S615-E617 PolarHBondContact O-N 2.73Å; S615-D618 PolarHBondContact O-N 3.43Å; S615-D618 WeakPolarHBondContact OG-CB 3.38Å; S615-D618 PolarHBondContact OG-OD2 3.17Å; S615-N619 PolarHBondContact O-ND2 2.9Å
616	K	86.7	Confident	90.6	Very high	137 Å²	137	32.7 Å²	32.7	60%	0.596	17%	0.17	S	C	*	.	S	Bend	trans	-60.5	-41.9	177.3	-174.1	179.8	178.2	-176.5	0	112.7	L587 D618 N619 T620	L587-K616 HydrophobicContact CD1-CB 4.14Å; L587-K616 HydrophobicContact CD1-CG 4.33Å; K616-D618 PolarHBondContact O-N 2.72Å; K616-N619 PolarHBondContact O-N 2.9Å; K616-N619 VanDerWaalsContact O-N 3.1Å; K616-T620 PolarHBondContact O-N 3.1Å; K616-T620 PolarHBondContact O-OG1 3.31Å
617	E	86.1	Confident	90.6	Very high	101 Å²	101	35.2 Å²	35.2	47%	0.472	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.9	-42.4	-179.1	-64	169.2	-166.2	0	0	112.1	S615 N619 T620	S615-E617 VanDerWaalsContact C-N 3.34Å; S615-E617 PolarHBondContact O-N 2.73Å; E617-N619 PolarHBondContact O-N 3.22Å; E617-N619 VanDerWaalsContact O-N 3.17Å; E617-T620 PolarHBondContact O-N 2.71Å
618	D	88.3	Confident	90.4	Very high	5 Å²	5	36 Å²	36	3%	0.027	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-71.7	-9.3	179.1	-72.1	-53.2	0	0	0	113.7	K520 G523 N524 K525 Y613 S615 K616 Y621	K520-D618 IonicContact NZ-OD1 3.58Å; G523-D618 VanDerWaalsContact CA-OD1 3.27Å; G523-D618 WeakPolarHBondContact CA-OD1 3.25Å; N524-D618 PolarHBondContact N-OD1 3.33Å; K525-D618 PolarHBondContact N-OD1 3.03Å; K525-D618 VanDerWaalsContact N-OD1 3.13Å; Y613-D618 HydrophobicContact CD2-CB 4.25Å; Y613-D618 HydrophobicContact CG-CB 4.06Å; S615-D618 PolarHBondContact O-N 3.43Å; S615-D618 WeakPolarHBondContact OG-CB 3.38Å; S615-D618 PolarHBondContact OG-OD2 3.17Å; K616-D618 PolarHBondContact O-N 2.72Å; D618-Y621 PolarHBondContact O-OH 2.96Å
619	N	89.8	Confident	90	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-109.6	5.9	179.3	-70.6	-68.9	0	0	0	113.7	L586 L587 R612 Y613 S615 K616 E617	L586-N619 HydrophobicContact CB-CB 4.07Å; L586-N619 WeakPolarHBondContact CG-O 3.41Å; L586-N619 PolarHBondContact N-O 3.4Å; L587-N619 HydrophobicContact CD1-CB 4.33Å; L587-N619 HydrophobicContact CD2-CB 4.38Å; L587-N619 HydrophobicContact CG-CB 3.89Å; R612-N619 WeakPolarHBondContact CA-OD1 2.97Å; R612-N619 VanDerWaalsContact CG-OD1 3.26Å; R612-N619 WeakPolarHBondContact CG-OD1 3.34Å; Y613-N619 VanDerWaalsContact C-ND2 3.33Å; Y613-N619 PolarHBondContact N-ND2 2.88Å; Y613-N619 PolarHBondContact N-OD1 2.98Å; Y613-N619 PolarHBondContact O-ND2 2.66Å; S615-N619 PolarHBondContact O-ND2 2.9Å; K616-N619 PolarHBondContact O-N 2.9Å; K616-N619 VanDerWaalsContact O-N 3.1Å; E617-N619 PolarHBondContact O-N 3.22Å; E617-N619 VanDerWaalsContact O-N 3.17Å
620	T	92.9	Very high	89.7	Confident	14 Å²	14	38.6 Å²	38.6	9%	0.086	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.7	-178	-57.3	0	0	0	0	110.3	Q583 K616 E617	Q583-T620 HydrophobicContact CG-CG2 3.88Å; K616-T620 PolarHBondContact O-N 3.1Å; K616-T620 PolarHBondContact O-OG1 3.31Å; E617-T620 PolarHBondContact O-N 2.71Å
621	Y	94.8	Very high	89.7	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.4	-177.6	-58.2	-90.1	0	0	0	110.2	I518 D519 K520 V584 L586 F610 D618	I518-Y621 HydrophobicContact CG2-CD1 4.3Å; D519-Y621 WeakPolarHBondContact O-CA 3.26Å; K520-Y621 HydrophobicContact CB-CD1 4.34Å; K520-Y621 HydrophobicContact CB-CE1 4.3Å; K520-Y621 HydrophobicContact CD-CE1 4.32Å; K520-Y621 HydrophobicContact CG-CE1 4.23Å; V584-Y621 PolarHBondContact N-O 3.37Å; V584-Y621 PolarHBondContact O-N 2.8Å; L586-Y621 HydrophobicContact CD1-CD2 4.14Å; L586-Y621 HydrophobicContact CD1-CE2 3.46Å; L586-Y621 VanDerWaalsContact CD1-CE2 3.46Å; L586-Y621 HydrophobicContact CD2-CD2 4.39Å; L586-Y621 HydrophobicContact CG-CD2 3.99Å; L586-Y621 HydrophobicContact CG-CE2 3.76Å; F610-Y621 AromaticContact CD1-CE1 3.93Å; F610-Y621 HydrophobicContact CD1-CE1 3.93Å; F610-Y621 HydrophobicContact CD1-CE2 4.2Å; F610-Y621 AromaticContact CD1-CZ 3.74Å; F610-Y621 HydrophobicContact CE1-CD1 4.1Å; F610-Y621 AromaticContact CE1-CE1 3.78Å; F610-Y621 HydrophobicContact CE1-CE1 3.78Å; D618-Y621 PolarHBondContact O-OH 2.96Å
622	V	95.6	Very high	89.7	Confident	28 Å²	28	39.3 Å²	39.3	17%	0.17	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.8	169.9	-176.6	0	0	0	0	108.2	D519 C581 W624	D519-V622 HydrophobicContact CB-CB 4.16Å; D519-V622 PolarHBondContact N-O 2.97Å; D519-V622 PolarHBondContact O-N 2.59Å; C581-V622 HydrophobicContact CB-CG1 3.5Å; V622-W624 HydrophobicContact CG1-CZ2 4.1Å
623	V	96.1	Very high	89.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.7	-174.6	-176.2	0	0	0	0	108.9	R517 I518 C581 K582 V584 V600 L602 I631	R517-V623 CarbonylContact O-C 3.55Å; I518-V623 HydrophobicContact CG1-CG1 4.32Å; I518-V623 HydrophobicContact CG2-CG2 4.43Å; C581-V623 CarbonylContact C-O 3.51Å; C581-V623 VanDerWaalsContact CA-O 3.27Å; C581-V623 WeakPolarHBondContact CA-O 3.5Å; K582-V623 PolarHBondContact N-O 3.09Å; K582-V623 PolarHBondContact O-N 3.43Å; V584-V623 HydrophobicContact CB-CG2 4.11Å; V584-V623 HydrophobicContact CG2-CB 4.2Å; V584-V623 HydrophobicContact CG2-CG2 3.76Å; V600-V623 HydrophobicContact CG1-CG1 4.2Å; V600-V623 HydrophobicContact CG1-CG2 3.95Å; L602-V623 HydrophobicContact CD2-CG1 3.55Å; V623-I631 HydrophobicContact CB-CD1 4.08Å; V623-I631 HydrophobicContact CB-CG2 3.92Å; V623-I631 HydrophobicContact CG1-CD1 3.85Å; V623-I631 HydrophobicContact CG1-CG1 3.92Å; V623-I631 HydrophobicContact CG1-CG2 3.81Å; V623-I631 HydrophobicContact CG2-CG2 4.44Å; V623-I631 WeakPolarHBondContact O-CD1 3.47Å
624	W	95	Very high	90.1	Very high	20 Å²	20	34.7 Å²	34.7	8%	0.076	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.8	-176	-57.4	79.8	0	0	0	109.9	F108 A516 R517 D519 L579 Q580 C581 V622	F108-W624 HydrophobicContact CB-CE3 4.48Å; F108-W624 HydrophobicContact CB-CH2 3.45Å; F108-W624 VanDerWaalsContact CB-CH2 3.45Å; F108-W624 HydrophobicContact CB-CZ2 4.32Å; F108-W624 HydrophobicContact CB-CZ3 3.54Å; F108-W624 AromaticContact CD1-CD2 3.85Å; F108-W624 HydrophobicContact CD1-CD2 3.85Å; F108-W624 AromaticContact CD1-CE3 3.27Å; F108-W624 HydrophobicContact CD1-CE3 3.27Å; F108-W624 AromaticContact CD1-CH2 3.69Å; F108-W624 HydrophobicContact CD1-CH2 3.69Å; F108-W624 HydrophobicContact CD1-CZ2 4.15Å; F108-W624 AromaticContact CD1-CZ3 3.21Å; F108-W624 HydrophobicContact CD1-CZ3 3.21Å; F108-W624 HydrophobicContact CE1-CD2 4.08Å; F108-W624 AromaticContact CE1-CE3 3.85Å; F108-W624 HydrophobicContact CE1-CE3 3.85Å; F108-W624 HydrophobicContact CE1-CZ3 4.22Å; F108-W624 HydrophobicContact CG-CE3 4.25Å; F108-W624 AromaticContact CG-CH2 3.86Å; F108-W624 HydrophobicContact CG-CH2 3.86Å; F108-W624 HydrophobicContact CG-CZ2 4.39Å; F108-W624 AromaticContact CG-CZ3 3.76Å; F108-W624 HydrophobicContact CG-CZ3 3.76Å; A516-W624 WeakPolarHBondContact CA-O 3.38Å; R517-W624 HydrophobicContact CB-CB 3.88Å; R517-W624 HydrophobicContact CB-CG 4.12Å; R517-W624 HydrophobicContact CG-CB 4.4Å; R517-W624 HydrophobicContact CG-CG 4.1Å; R517-W624 PolarHBondContact N-O 2.86Å; R517-W624 PolarHBondContact O-N 3.14Å; D519-W624 PolarHBondContact OD2-NE1 3.01Å; L579-W624 HydrophobicContact CB-CB 4.19Å; L579-W624 HydrophobicContact CB-CE3 4.44Å; L579-W624 HydrophobicContact CD1-CB 4.44Å; Q580-W624 VanDerWaalsContact C-CE3 3.43Å; Q580-W624 WeakPolarHBondContact O-CA 3.4Å; C581-W624 HydrophobicContact CB-CD2 3.53Å; C581-W624 HydrophobicContact CB-CE3 3.49Å; C581-W624 VanDerWaalsContact CB-CE3 3.49Å; C581-W624 HydrophobicContact CB-CG 4.25Å; C581-W624 HydrophobicContact CB-CH2 3.47Å; C581-W624 VanDerWaalsContact CB-CH2 3.47Å; C581-W624 HydrophobicContact CB-CZ2 3.59Å; C581-W624 HydrophobicContact CB-CZ3 3.43Å; C581-W624 VanDerWaalsContact CB-CZ3 3.43Å; C581-W624 VanDerWaalsContact N-CE3 3.25Å; C581-W624 VanDerWaalsContact SG-CH2 3.57Å; V622-W624 HydrophobicContact CG1-CZ2 4.1Å
625	T	93.1	Very high	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	168	173.9	56.3	0	0	0	0	109.1	A516 L579 Q580 L602 L627 G628 K629 I631	A516-T625 HydrophobicContact CB-CG2 4.43Å; L579-T625 WeakPolarHBondContact CA-O 3.41Å; Q580-T625 PolarHBondContact N-O 3.49Å; Q580-T625 PolarHBondContact O-N 2.84Å; L602-T625 HydrophobicContact CD2-CG2 3.92Å; T625-L627 PolarHBondContact O-N 2.81Å; T625-G628 PolarHBondContact O-N 2.92Å; T625-G628 WeakPolarHBondContact OG1-CA 3.47Å; T625-K629 WeakPolarHBondContact CB-O 3.42Å; T625-K629 PolarHBondContact OG1-N 2.8Å; T625-K629 VanDerWaalsContact OG1-N 3.15Å; T625-K629 PolarHBondContact OG1-O 2.81Å; T625-I631 HydrophobicContact CG2-CD1 4.02Å; T625-I631 HydrophobicContact CG2-CG1 3.62Å; T625-I631 WeakPolarHBondContact OG1-CD1 3.38Å; T625-I631 WeakPolarHBondContact OG1-CG1 3.27Å
626	P	89.4	Confident	90.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	125.2	-179.3	-22.3	37.4	0	0	0	109.4	V479 L482 L515 F576 P577 L579 G628 K629	V479-P626 HydrophobicContact CG1-CB 4.44Å; V479-P626 HydrophobicContact CG1-CG 3.78Å; L482-P626 HydrophobicContact CD1-CB 3.73Å; L515-P626 VanDerWaalsContact O-CD 3.29Å; L515-P626 WeakPolarHBondContact O-CD 3.1Å; F576-P626 HydrophobicContact CE1-CG 4.45Å; F576-P626 HydrophobicContact CZ-CB 4.24Å; F576-P626 HydrophobicContact CZ-CG 3.84Å; P577-P626 HydrophobicContact CG-CB 4.14Å; L579-P626 HydrophobicContact CD2-CB 4.4Å; L579-P626 HydrophobicContact CD2-CG 3.87Å; P626-G628 PolarHBondContact O-N 3.48Å; P626-G628 VanDerWaalsContact O-N 3.09Å; P626-K629 PolarHBondContact O-N 2.73Å
627	L	88.5	Confident	89.8	Confident	64 Å²	64	22.7 Å²	22.7	34%	0.335	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	16.9	-172	-52.8	173.1	0	0	0	114.9	L482 P577 G578 Q580 T625 K629	L482-L627 HydrophobicContact CD1-CD1 4.31Å; L482-L627 HydrophobicContact CD2-CD1 4.42Å; P577-L627 HydrophobicContact CB-CD1 4.27Å; P577-L627 HydrophobicContact CB-CD2 3.57Å; P577-L627 HydrophobicContact CB-CG 3.68Å; P577-L627 HydrophobicContact CG-CD1 4.46Å; P577-L627 HydrophobicContact CG-CG 4.14Å; G578-L627 PolarHBondContact O-N 3.06Å; G578-L627 VanDerWaalsContact O-N 3.08Å; Q580-L627 PolarHBondContact OE1-O 2.79Å; T625-L627 PolarHBondContact O-N 2.81Å; L627-K629 HydrophobicContact CB-CD 3.95Å; L627-K629 HydrophobicContact CB-CG 4Å; L627-K629 HydrophobicContact CD1-CD 4.11Å; L627-K629 PolarHBondContact O-N 2.51Å
628	G	88.6	Confident	89.1	Confident	21 Å²	21	18.8 Å²	18.8	22%	0.216	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	15.3	-177.9	0	0	0	0	0	113.9	Q580 T625 P626	Q580-G628 WeakPolarHBondContact O-CA 3.26Å; T625-G628 PolarHBondContact O-N 2.92Å; T625-G628 WeakPolarHBondContact OG1-CA 3.47Å; P626-G628 PolarHBondContact O-N 3.48Å; P626-G628 VanDerWaalsContact O-N 3.09Å
629	K	87.2	Confident	87.3	Confident	60 Å²	60	22 Å²	22	26%	0.261	12%	0.124	S	C	.	.			trans	-80.4	148.6	-175	-71.6	175.6	166.4	-158.4	0	112.3	D476 T625 P626 L627 I631	D476-K629 WeakPolarHBondContact O-CD 3.48Å; D476-K629 WeakPolarHBondContact O-CE 3.47Å; D476-K629 PolarHBondContact O-NZ 3.15Å; T625-K629 WeakPolarHBondContact CB-O 3.42Å; T625-K629 PolarHBondContact OG1-N 2.8Å; T625-K629 VanDerWaalsContact OG1-N 3.15Å; T625-K629 PolarHBondContact OG1-O 2.81Å; P626-K629 PolarHBondContact O-N 2.73Å; L627-K629 HydrophobicContact CB-CD 3.95Å; L627-K629 HydrophobicContact CB-CG 4Å; L627-K629 HydrophobicContact CD1-CD 4.11Å; L627-K629 PolarHBondContact O-N 2.51Å; K629-I631 PolarHBondContact O-N 3.44Å
630	G	85.5	Confident	85.3	Confident	3 Å²	3	24.5 Å²	24.5	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	73	28	165.8	0	0	0	0	0	115.7	C280 N477 V601 S603	C280-G630 PolarHBondContact SG-O 2.91Å; C280-G630 VanDerWaalsContact SG-O 3.36Å; N477-G630 WeakPolarHBondContact O-CA 3.35Å; N477-G630 PolarHBondContact O-N 2.95Å; V601-G630 VanDerWaalsContact O-O 3.11Å; S603-G630 PolarHBondContact N-O 2.75Å
631	I	92.3	Very high	82.8	Confident	6 Å²	6	29.4 Å²	29.4	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.8	176.3	-58.8	167.1	0	0	0	109.6	K582 V584 V623 T625 K629	K582-I631 HydrophobicContact CB-CD1 3.86Å; K582-I631 HydrophobicContact CD-CB 4.48Å; V584-I631 HydrophobicContact CG2-CG2 3.61Å; V623-I631 HydrophobicContact CB-CD1 4.08Å; V623-I631 HydrophobicContact CB-CG2 3.92Å; V623-I631 HydrophobicContact CG1-CD1 3.85Å; V623-I631 HydrophobicContact CG1-CG1 3.92Å; V623-I631 HydrophobicContact CG1-CG2 3.81Å; V623-I631 HydrophobicContact CG2-CG2 4.44Å; V623-I631 WeakPolarHBondContact O-CD1 3.47Å; T625-I631 HydrophobicContact CG2-CD1 4.02Å; T625-I631 HydrophobicContact CG2-CG1 3.62Å; T625-I631 WeakPolarHBondContact OG1-CD1 3.38Å; T625-I631 WeakPolarHBondContact OG1-CG1 3.27Å; K629-I631 PolarHBondContact O-N 3.44Å
632	Y	91	Very high	80.1	Confident	63 Å²	63	36 Å²	36	25%	0.247	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.7	-179.6	-69.1	-95.1	0	0	0	112	P279 C280 N477 V600 V601	P279-Y632 HydrophobicContact CG-CD1 3.61Å; P279-Y632 HydrophobicContact CG-CD2 4.3Å; P279-Y632 HydrophobicContact CG-CE1 4.34Å; P279-Y632 HydrophobicContact CG-CG 3.58Å; C280-Y632 HydrophobicContact CB-CD2 4.35Å; C280-Y632 HydrophobicContact CB-CE2 4.37Å; C280-Y632 WeakPolarHBondContact SG-CD2 3.34Å; N477-Y632 PolarHBondContact ND2-OH 3.02Å; V600-Y632 CarbonylContact C-O 3.48Å; V600-Y632 WeakPolarHBondContact CA-O 3.5Å; V601-Y632 PolarHBondContact N-O 3.03Å; V601-Y632 PolarHBondContact O-N 3.21Å
633	T	91.7	Very high	77.8	Confident	38 Å²	38	38.7 Å²	38.7	23%	0.233	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.7	172.4	51.3	0	0	0	0	110.9	V584 L586 V598 D599	V584-T633 HydrophobicContact CG1-CG2 3.28Å; L586-T633 HydrophobicContact CD2-CG2 4.36Å; V598-T633 HydrophobicContact CG1-CG2 4.33Å; D599-T633 WeakPolarHBondContact O-CA 3.21Å
634	R	90	Very high	75.3	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.7	173.6	67.6	-178.6	-175.1	-166.4	1.1	111.3	L275 F278 Y312 V598 D599 V601 S636	L275-R634 PolarHBondContact O-NH1 2.99Å; F278-R634 PolarHBondContact O-NH1 2.78Å; Y312-R634 HydrophobicContact CE1-CB 3.96Å; Y312-R634 HydrophobicContact CE2-CB 4.14Å; Y312-R634 VanDerWaalsContact CZ-CB 3.49Å; Y312-R634 WeakPolarHBondContact OH-CB 3.39Å; V598-R634 CarbonylContact C-O 3.13Å; V598-R634 WeakPolarHBondContact CA-O 3.14Å; V598-R634 WeakPolarHBondContact CG1-O 3.25Å; D599-R634 HydrophobicContact CB-CG 3.83Å; D599-R634 PolarHBondContact N-O 2.76Å; D599-R634 PolarHBondContact O-N 3.08Å; D599-R634 IonicContact OD2-NE 2.75Å; V601-R634 HydrophobicContact CG2-CG 3.84Å; R634-S636 PolarHBondContact O-N 3.38Å
635	P	87.7	Confident	72.8	Confident	26 Å²	26	48.1 Å²	48.1	17%	0.169	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	141.3	170.5	-24.2	36.1	0	0	0	110	Y312 L591 V592 A595 F637	Y312-P635 VanDerWaalsContact CD2-CD 3.45Å; Y312-P635 HydrophobicContact CD2-CG 3.81Å; Y312-P635 HydrophobicContact CE2-CG 3.98Å; L591-P635 WeakPolarHBondContact O-CG 3.38Å; V592-P635 HydrophobicContact CG1-CG 4.07Å; A595-P635 HydrophobicContact CB-CB 4.01Å; A595-P635 HydrophobicContact CB-CG 4.44Å; P635-F637 PolarHBondContact O-N 3.27Å
636	S	86.1	Confident	70.6	Confident	8 Å²	8	49 Å²	49	6%	0.056	27%	0.269	C	S	.	.			trans	-64.9	123.7	176.9	-168.7	0	0	0	0	110.6	K597 D599 S609 R634 L638	K597-S636 WeakPolarHBondContact O-CB 3.42Å; K597-S636 PolarHBondContact O-N 3.48Å; D599-S636 WeakPolarHBondContact OD1-CA 2.86Å; D599-S636 WeakPolarHBondContact OD1-CB 3.36Å; D599-S636 PolarHBondContact OD1-OG 3.34Å; D599-S636 WeakPolarHBondContact OD2-CA 3.35Å; S609-S636 PolarHBondContact OG-OG 3.11Å; S609-S636 VanDerWaalsContact OG-OG 3.09Å; R634-S636 PolarHBondContact O-N 3.38Å; S636-L638 PolarHBondContact O-N 2.95Å; S636-L638 PolarHBondContact OG-N 3.07Å
637	F	76.9	Confident	68.2	Low	17 Å²	17	51.7 Å²	51.7	8%	0.075	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-12.2	174.3	-61.8	-33.6	0	0	0	111.6	L275 L307 V309 Y312 P635 S639	L275-F637 HydrophobicContact CD1-CD2 3.93Å; L275-F637 HydrophobicContact CD1-CE2 3.31Å; L275-F637 HydrophobicContact CD1-CZ 3.81Å; L275-F637 HydrophobicContact CD2-CD2 4.29Å; L275-F637 HydrophobicContact CD2-CE2 4.49Å; L275-F637 HydrophobicContact CG-CD2 4.18Å; L275-F637 HydrophobicContact CG-CE2 3.96Å; L307-F637 HydrophobicContact CD1-CB 4.08Å; L307-F637 WeakPolarHBondContact CD1-O 3.26Å; L307-F637 WeakPolarHBondContact CD2-O 3.3Å; L307-F637 WeakPolarHBondContact CG-O 3.4Å; V309-F637 HydrophobicContact CG2-CD1 3.94Å; V309-F637 HydrophobicContact CG2-CE1 4.17Å; V309-F637 HydrophobicContact CG2-CG 4.19Å; Y312-F637 AromaticContact CD1-CE1 3.8Å; Y312-F637 HydrophobicContact CD1-CE1 3.8Å; Y312-F637 AromaticContact CD1-CZ 3.63Å; Y312-F637 HydrophobicContact CD1-CZ 3.63Å; Y312-F637 HydrophobicContact CE1-CE1 4.37Å; Y312-F637 AromaticContact CE1-CZ 3.92Å; Y312-F637 HydrophobicContact CE1-CZ 3.92Å; Y312-F637 HydrophobicContact CG-CE1 4.16Å; Y312-F637 HydrophobicContact CG-CZ 4.44Å; P635-F637 PolarHBondContact O-N 3.27Å; F637-S639 PolarHBondContact O-N 3.48Å
638	L	70.3	Confident	66	Low	18 Å²	18	48.8 Å²	48.8	9%	0.094	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	34.7	-176.9	-73.6	166.5	0	0	0	113.2	L305 Y532 S636 S640 L646	L305-L638 HydrophobicContact CD1-CD2 4.48Å; Y532-L638 HydrophobicContact CD1-CD1 4.14Å; Y532-L638 HydrophobicContact CE1-CD1 3.32Å; Y532-L638 HydrophobicContact CE2-CD1 3.95Å; Y532-L638 WeakPolarHBondContact OH-CD1 3.31Å; S636-L638 PolarHBondContact O-N 2.95Å; S636-L638 PolarHBondContact OG-N 3.07Å; L638-S640 PolarHBondContact O-N 2.91Å; L638-S640 VanDerWaalsContact O-N 3.15Å; L638-L646 HydrophobicContact CD1-CB 4.06Å; L638-L646 HydrophobicContact CD1-CD1 4.39Å; L638-L646 HydrophobicContact CD1-CD2 4.2Å; L638-L646 HydrophobicContact CD1-CG 4.45Å; L638-L646 HydrophobicContact CD2-CB 4Å; L638-L646 HydrophobicContact CD2-CD1 3.56Å; L638-L646 HydrophobicContact CD2-CG 4.26Å; L638-L646 HydrophobicContact CG-CD1 4.1Å
639	S	51.4	Low	63.6	Low	73 Å²	73	51.9 Å²	51.9	51%	0.51	28%	0.277	S	S	.	.			trans	-68.4	-10.1	-172.4	61.7	0	0	0	0	115.5	F637 P641	F637-S639 PolarHBondContact O-N 3.48Å; S639-P641 WeakPolarHBondContact O-CD 3.19Å
640	S	46.4	Very low	61	Low	53 Å²	53	49.1 Å²	49.1	37%	0.371	27%	0.266	S	S	.	.			trans	-83.8	121.3	178.3	-172.7	0	0	0	0	111.8	L638 N642 K643	L638-S640 PolarHBondContact O-N 2.91Å; L638-S640 VanDerWaalsContact O-N 3.15Å; S640-N642 PolarHBondContact O-N 3.13Å; S640-N642 VanDerWaalsContact O-N 3.08Å; S640-N642 PolarHBondContact OG-N 2.59Å; S640-K643 PolarHBondContact O-N 2.93Å
641	P	41.4	Very low	58.5	Low	117 Å²	117	51.1 Å²	51.1	76%	0.76	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.9	174.8	23.4	-31.8	0	0	0	113.2	S639	S639-P641 WeakPolarHBondContact O-CD 3.19Å
642	N	37.7	Very low	55.5	Low	140 Å²	140	53 Å²	53	75%	0.749	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	3.6	-174.9	-68.9	-7.2	0	0	0	114.5	S640	S640-N642 PolarHBondContact O-N 3.13Å; S640-N642 VanDerWaalsContact O-N 3.08Å; S640-N642 PolarHBondContact OG-N 2.59Å
643	K	48	Very low	52.4	Low	83 Å²	83	55 Å²	55	36%	0.361	30%	0.298	S	S	.	.			trans	-134.6	80.3	178.7	-65.4	-171.3	-178.2	-179.6	0	110.9	L305 S640 Y645	L305-K643 HydrophobicContact CD1-CD 4.31Å; L305-K643 HydrophobicContact CD2-CD 3.81Å; S640-K643 PolarHBondContact O-N 2.93Å; K643-Y645 PolarHBondContact O-N 3.17Å
644	P	42.6	Very low	50.4	Low	72 Å²	72	55.8 Å²	55.8	47%	0.468	30%	0.301	S	S	.	.			trans	-72.1	-10.3	-178.3	27.7	-32.3	0	0	0	113.4
645	Y	42.9	Very low	48.4	Very low	146 Å²	146	58.6 Å²	58.6	57%	0.573	32%	0.316	S	S	*	.			trans	-113.4	122.6	-176.3	-52.2	-68.5	0	0	0	111	M496 K643 V647	M496-Y645 HydrophobicContact CE-CD1 4.24Å; M496-Y645 HydrophobicContact CE-CG 4.39Å; K643-Y645 PolarHBondContact O-N 3.17Å; Y645-V647 PolarHBondContact O-N 3.1Å
646	L	47	Very low	46.2	Very low	19 Å²	19	60.4 Å²	60.4	10%	0.099	32%	0.324	C	S	.	.			trans	-86	103.2	164.5	-160.9	68.5	0	0	0	107	L305 M496 W607 L638 I648	L305-L646 HydrophobicContact CD1-CD1 4.08Å; M496-L646 WeakPolarHBondContact CG-O 3.1Å; W607-L646 HydrophobicContact CH2-CD2 3.71Å; W607-L646 HydrophobicContact CZ2-CD2 3.57Å; L638-L646 HydrophobicContact CD1-CB 4.06Å; L638-L646 HydrophobicContact CD1-CD1 4.39Å; L638-L646 HydrophobicContact CD1-CD2 4.2Å; L638-L646 HydrophobicContact CD1-CG 4.45Å; L638-L646 HydrophobicContact CD2-CB 4Å; L638-L646 HydrophobicContact CD2-CD1 3.56Å; L638-L646 HydrophobicContact CD2-CG 4.26Å; L638-L646 HydrophobicContact CG-CD1 4.1Å; L646-I648 HydrophobicContact CB-CD1 4.43Å; L646-I648 HydrophobicContact CB-CG1 4.15Å; L646-I648 HydrophobicContact CD2-CD1 3.16Å; L646-I648 HydrophobicContact CD2-CG1 3.43Å; L646-I648 VanDerWaalsContact CD2-CG1 3.43Å; L646-I648 HydrophobicContact CG-CD1 3.8Å; L646-I648 HydrophobicContact CG-CG1 3.46Å; L646-I648 VanDerWaalsContact CG-CG1 3.46Å; L646-I648 PolarHBondContact O-N 3.42Å
647	V	39.4	Very low	43.8	Very low	57 Å²	57	63.5 Å²	63.5	35%	0.345	34%	0.34	S	S	.	.			trans	-69.9	83.3	168.9	-173.1	0	0	0	0	107.8	C304 M496 Y645 F649	C304-V647 HydrophobicContact CB-CB 4.32Å; C304-V647 WeakPolarHBondContact CB-O 3.32Å; C304-V647 PolarHBondContact SG-O 3.28Å; M496-V647 VanDerWaalsContact SD-CA 3.59Å; M496-V647 HydrophobicContact SD-CB 4.05Å; M496-V647 HydrophobicContact SD-CG1 4.19Å; M496-V647 HydrophobicContact SD-CG2 3.75Å; Y645-V647 PolarHBondContact O-N 3.1Å; V647-F649 HydrophobicContact CG1-CD2 4.37Å; V647-F649 HydrophobicContact CG1-CE2 3.87Å; V647-F649 HydrophobicContact CG1-CZ 4.01Å
648	I	43	Very low	41.8	Very low	3 Å²	3	66.4 Å²	66.4	2%	0.015	36%	0.357	C	S	.	.			trans	-92.9	113.8	169.1	-55.2	174.1	0	0	0	106.7	L276 M496 L497 W607 L646 S650	L276-I648 HydrophobicContact CD1-CD1 4.09Å; L276-I648 HydrophobicContact CD1-CG2 3.51Å; L276-I648 HydrophobicContact CD2-CD1 3.26Å; L276-I648 HydrophobicContact CD2-CG1 4.04Å; L276-I648 HydrophobicContact CD2-CG2 4.09Å; L276-I648 HydrophobicContact CG-CD1 4.3Å; L276-I648 HydrophobicContact CG-CG2 4.32Å; M496-I648 WeakPolarHBondContact CA-O 3.47Å; L497-I648 HydrophobicContact CB-CD1 4.18Å; L497-I648 HydrophobicContact CD1-CD1 3.71Å; L497-I648 HydrophobicContact CG-CD1 4.11Å; W607-I648 HydrophobicContact CH2-CD1 3.56Å; W607-I648 HydrophobicContact CZ2-CD1 4.48Å; W607-I648 HydrophobicContact CZ3-CD1 4.35Å; L646-I648 HydrophobicContact CB-CD1 4.43Å; L646-I648 HydrophobicContact CB-CG1 4.15Å; L646-I648 HydrophobicContact CD2-CD1 3.16Å; L646-I648 HydrophobicContact CD2-CG1 3.43Å; L646-I648 VanDerWaalsContact CD2-CG1 3.43Å; L646-I648 HydrophobicContact CG-CD1 3.8Å; L646-I648 HydrophobicContact CG-CG1 3.46Å; L646-I648 VanDerWaalsContact CG-CG1 3.46Å; L646-I648 PolarHBondContact O-N 3.42Å; I648-S650 PolarHBondContact O-N 3.44Å
649	F	36.2	Very low	39.9	Very low	85 Å²	85	69.7 Å²	69.7	37%	0.373	37%	0.374	S	S	.	.			trans	-69.9	88.7	160	-71.9	-66.7	0	0	0	108.2	C304 K337 T338 V647	C304-F649 VanDerWaalsContact SG-CD2 3.6Å; K337-F649 HydrophobicContact CB-CB 4.05Å; K337-F649 HydrophobicContact CD-CB 3.58Å; K337-F649 HydrophobicContact CD-CD1 4.46Å; K337-F649 HydrophobicContact CD-CG 4.32Å; K337-F649 HydrophobicContact CG-CB 3.8Å; K337-F649 HydrophobicContact CG-CG 4.26Å; T338-F649 HydrophobicContact CG2-CD2 3.44Å; T338-F649 VanDerWaalsContact CG2-CD2 3.44Å; T338-F649 HydrophobicContact CG2-CE2 3.37Å; T338-F649 HydrophobicContact CG2-CG 4.19Å; T338-F649 HydrophobicContact CG2-CZ 4.04Å; V647-F649 HydrophobicContact CG1-CD2 4.37Å; V647-F649 HydrophobicContact CG1-CE2 3.87Å; V647-F649 HydrophobicContact CG1-CZ 4.01Å
650	S	33.5	Very low	39	Very low	2 Å²	2	69.4 Å²	69.4	1%	0.014	37%	0.365	C	S	.	.			trans	-69.2	176.9	-179.8	81.1	0	0	0	0	111.3	K337 P493 R494 S495 I648 T652	K337-S650 PolarHBondContact NZ-O 3.43Å; P493-S650 VanDerWaalsContact C-CB 3.42Å; P493-S650 WeakPolarHBondContact O-CB 3.2Å; P493-S650 PolarHBondContact O-OG 3.34Å; R494-S650 WeakPolarHBondContact CA-OG 3.37Å; R494-S650 PolarHBondContact N-OG 3.31Å; R494-S650 PolarHBondContact O-OG 2.77Å; R494-S650 VanDerWaalsContact O-OG 3.06Å; S495-S650 PolarHBondContact N-OG 2.89Å; S495-S650 VanDerWaalsContact O-CB 3.23Å; S495-S650 WeakPolarHBondContact O-CB 3.19Å; S495-S650 PolarHBondContact O-OG 3.47Å; S495-S650 VanDerWaalsContact O-OG 3.07Å; I648-S650 PolarHBondContact O-N 3.44Å; S650-T652 PolarHBondContact O-N 2.9Å; S650-T652 PolarHBondContact O-OG1 3.46Å
651	N	33.5	Very low	38.5	Very low	45 Å²	45	70.7 Å²	70.7	24%	0.241	36%	0.364	C	S	.	.	S	Bend	trans	-68.2	74.6	-174.2	-138.5	8.4	0	0	0	111.8	F370 M492 P493	F370-N651 WeakPolarHBondContact CD1-OD1 3.44Å; F370-N651 WeakPolarHBondContact CD2-ND2 3.43Å; F370-N651 HydrophobicContact CE1-CB 4.01Å; F370-N651 WeakPolarHBondContact CE1-OD1 3.03Å; F370-N651 HydrophobicContact CE2-CB 3.75Å; F370-N651 WeakPolarHBondContact CE2-ND2 3.14Å; F370-N651 HydrophobicContact CZ-CB 3.23Å; F370-N651 WeakPolarHBondContact CZ-ND2 3.48Å; F370-N651 WeakPolarHBondContact CZ-OD1 3.38Å; M492-N651 HydrophobicContact CE-CB 4.22Å; M492-N651 WeakPolarHBondContact CE-ND2 3.27Å; P493-N651 PolarHBondContact O-N 3.24Å
652	T	27.9	Very low	38.2	Very low	45 Å²	45	66.8 Å²	66.8	28%	0.276	33%	0.331	S	S	.	.			trans	-118.5	136.3	166.7	19.6	0	0	0	0	107.9	K337 R373 R494 S650	K337-T652 PolarHBondContact NZ-OG1 3.33Å; R373-T652 PolarHBondContact NH1-O 2.94Å; R494-T652 HydrophobicContact CB-CG2 3.71Å; R494-T652 HydrophobicContact CG-CG2 4.14Å; R494-T652 WeakPolarHBondContact O-CG2 3.42Å; R494-T652 PolarHBondContact O-OG1 3.46Å; S650-T652 PolarHBondContact O-N 2.9Å; S650-T652 PolarHBondContact O-OG1 3.46Å
653	F	26.9	Very low	38.3	Very low	105 Å²	105	60.2 Å²	60.2	46%	0.461	29%	0.293	S	S	.	.			trans	87.7	0	-162.4	-63.6	-81.2	0	0	0	115.1	N242 R373	N242-F653 WeakPolarHBondContact ND2-CD1 3.07Å; R373-F653 WeakPolarHBondContact CD-O 3.08Å; R373-F653 PolarHBondContact NE-O 3.4Å; R373-F653 PolarHBondContact NE-OXT 3.01Å; R373-F653 PolarHBondContact NH1-O 3.26Å

Retrieved 653 of 653 residues in 1072.9 ms (Link to these results)

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