G1N1F7_MELGA Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession G1N1F7, Species MELGA (Meleagris gallopavo, Wild turkey), Gene WNT7A, Length 349 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	53.3	Low	61.1	Low	180 Å²	180	152.2 Å²	152.2	89%	0.887	66%	0.66	S	S	*	*				0	122.1	0	-158.5	154.5	72.4	0	0	108.8	R6 I9	M1-R6 HydrophobicContact CE-CG 4.28Å; M1-I9 HydrophobicContact CE-CD1 4.48Å
2	N	63.8	Low	61.3	Low	115 Å²	115	145.3 Å²	145.3	62%	0.615	64%	0.635	S	S	*	*			trans	-69	146.6	-168.7	-162.2	-9.7	0	0	0	111.6	K4 T5 R6	N2-K4 PolarHBondContact O-N 2.76Å; N2-K4 VanDerWaalsContact O-N 3.15Å; N2-T5 PolarHBondContact O-N 3.12Å; N2-T5 PolarHBondContact O-OG1 3.42Å; N2-R6 PolarHBondContact O-N 3.23Å
3	R	59.6	Low	60.8	Low	225 Å²	225	145.5 Å²	145.5	85%	0.849	64%	0.636	S	S	*	*	H	α-helix	trans	-57.8	-30.9	-175.4	-113.5	177.2	169.7	177.5	-3.4	112.7	R7	R3-R7 PolarHBondContact O-N 3.34Å
4	K	61.5	Low	60.4	Low	175 Å²	175	142.1 Å²	142.1	76%	0.761	63%	0.627	S	S	*	*	H	α-helix	trans	-67.1	-38.2	174.3	-80.4	-176.6	174.7	-179.8	0	112.8	N2 R7 W8	N2-K4 PolarHBondContact O-N 2.76Å; N2-K4 VanDerWaalsContact O-N 3.15Å; K4-R7 PolarHBondContact O-N 3.15Å; K4-W8 PolarHBondContact O-N 2.97Å
5	T	62.9	Low	59.8	Low	67 Å²	67	136.7 Å²	136.7	41%	0.411	61%	0.614	S	S	.	*	H	α-helix	trans	-69.8	-35.3	-179.8	-10.4	0	0	0	0	111.8	N2 W8 I9	N2-T5 PolarHBondContact O-N 3.12Å; N2-T5 PolarHBondContact O-OG1 3.42Å; T5-W8 PolarHBondContact O-N 3.04Å; T5-I9 VanDerWaalsContact O-CG1 3.28Å; T5-I9 WeakPolarHBondContact O-CG1 3.39Å; T5-I9 PolarHBondContact O-N 3.2Å; T5-I9 VanDerWaalsContact O-N 3.07Å
6	R	61.4	Low	59.3	Low	179 Å²	179	134.5 Å²	134.5	68%	0.675	61%	0.609	S	S	*	*	H	α-helix	trans	-64.5	-41.5	175.1	-112.5	-178.8	-178.6	175	0.4	112.8	M1 N2 F10	M1-R6 HydrophobicContact CE-CG 4.28Å; N2-R6 PolarHBondContact O-N 3.23Å; R6-F10 WeakPolarHBondContact O-CB 3.41Å; R6-F10 PolarHBondContact O-N 3.45Å; R6-F10 VanDerWaalsContact O-N 3.08Å
7	R	60.8	Low	58.5	Low	190 Å²	190	128.5 Å²	128.5	72%	0.717	59%	0.593	S	S	*	*	H	α-helix	trans	-65.6	-40.1	176	-93.5	-178.1	168.2	176.4	-3.8	112.1	R3 K4 F10 H11	R3-R7 PolarHBondContact O-N 3.34Å; K4-R7 PolarHBondContact O-N 3.15Å; R7-F10 PolarHBondContact O-N 3.37Å; R7-H11 PolarHBondContact O-CD2 3.37Å; R7-H11 PolarHBondContact O-N 3.34Å
8	W	62.2	Low	58.1	Low	192 Å²	192	126.7 Å²	126.7	73%	0.727	59%	0.587	S	S	*	*	H	α-helix	trans	-64.7	-44.1	178.4	-122.5	77.1	0	0	0	112.4	K4 T5 F10 H11 I12	K4-W8 PolarHBondContact O-N 2.97Å; T5-W8 PolarHBondContact O-N 3.04Å; W8-F10 VanDerWaalsContact C-N 3.34Å; W8-F10 PolarHBondContact O-N 2.88Å; W8-H11 PolarHBondContact O-N 2.68Å; W8-I12 HydrophobicContact CE3-CD1 3.46Å; W8-I12 VanDerWaalsContact CE3-CD1 3.46Å; W8-I12 HydrophobicContact CE3-CG1 4.26Å; W8-I12 HydrophobicContact CZ3-CD1 3.66Å; W8-I12 HydrophobicContact CZ3-CG1 4.42Å; W8-I12 WeakPolarHBondContact O-CG1 3.49Å; W8-I12 PolarHBondContact O-N 2.88Å
9	I	64.4	Low	57.4	Low	70 Å²	70	124.4 Å²	124.4	36%	0.359	58%	0.583	S	S	.	*	H	α-helix	trans	-62.1	-43.1	175.2	-67.4	167	0	0	0	110.6	M1 T5 H11 I12 F13	M1-I9 HydrophobicContact CE-CD1 4.48Å; T5-I9 VanDerWaalsContact O-CG1 3.28Å; T5-I9 WeakPolarHBondContact O-CG1 3.39Å; T5-I9 PolarHBondContact O-N 3.2Å; T5-I9 VanDerWaalsContact O-N 3.07Å; I9-H11 PolarHBondContact O-N 2.85Å; I9-I12 PolarHBondContact O-N 3.03Å; I9-F13 HydrophobicContact CG2-CD2 3.59Å; I9-F13 HydrophobicContact CG2-CE2 3.54Å; I9-F13 VanDerWaalsContact O-CD2 3.25Å; I9-F13 WeakPolarHBondContact O-CD2 3.38Å; I9-F13 PolarHBondContact O-N 2.83Å
10	F	61.8	Low	56.8	Low	156 Å²	156	128.1 Å²	128.1	68%	0.684	59%	0.593	S	S	*	*	H	α-helix	trans	-63.3	-40.3	178.7	-136.1	-92.6	0	0	0	112.6	R6 R7 W8 F13 L14	R6-F10 WeakPolarHBondContact O-CB 3.41Å; R6-F10 PolarHBondContact O-N 3.45Å; R6-F10 VanDerWaalsContact O-N 3.08Å; R7-F10 PolarHBondContact O-N 3.37Å; W8-F10 VanDerWaalsContact C-N 3.34Å; W8-F10 PolarHBondContact O-N 2.88Å; F10-F13 PolarHBondContact O-N 3.49Å; F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 3.48Å
11	H	60.4	Low	56.3	Low	125 Å²	125	128.4 Å²	128.4	58%	0.579	60%	0.598	S	S	*	*	H	α-helix	trans	-68.7	-33.7	176.3	-78.1	-62.3	0	0	0	113.1	R7 W8 I9 S15	R7-H11 PolarHBondContact O-CD2 3.37Å; R7-H11 PolarHBondContact O-N 3.34Å; W8-H11 PolarHBondContact O-N 2.68Å; I9-H11 PolarHBondContact O-N 2.85Å; H11-S15 WeakPolarHBondContact O-CB 3.08Å; H11-S15 PolarHBondContact O-N 3.07Å; H11-S15 PolarHBondContact O-OG 3.15Å
12	I	63.1	Low	55.9	Low	70 Å²	70	128.7 Å²	128.7	36%	0.359	59%	0.594	S	S	.	*	H	α-helix	trans	-67.4	-42.9	173.4	-71.6	166.8	0	0	0	111.4	W8 I9 L14 S15 L16	W8-I12 HydrophobicContact CE3-CD1 3.46Å; W8-I12 VanDerWaalsContact CE3-CD1 3.46Å; W8-I12 HydrophobicContact CE3-CG1 4.26Å; W8-I12 HydrophobicContact CZ3-CD1 3.66Å; W8-I12 HydrophobicContact CZ3-CG1 4.42Å; W8-I12 WeakPolarHBondContact O-CG1 3.49Å; W8-I12 PolarHBondContact O-N 2.88Å; I9-I12 PolarHBondContact O-N 3.03Å; I12-L14 VanDerWaalsContact C-N 3.35Å; I12-S15 WeakPolarHBondContact CA-OG 3.05Å; I12-S15 PolarHBondContact O-N 2.81Å; I12-S15 PolarHBondContact O-OG 3.18Å; I12-S15 VanDerWaalsContact O-OG 3.04Å; I12-L16 HydrophobicContact CG2-CD1 3.66Å; I12-L16 WeakPolarHBondContact O-CB 3.32Å; I12-L16 WeakPolarHBondContact O-CD1 3.49Å; I12-L16 WeakPolarHBondContact O-CG 3.25Å; I12-L16 PolarHBondContact O-N 3.35Å
13	F	55.8	Low	55.2	Low	147 Å²	147	129.2 Å²	129.2	65%	0.645	60%	0.595	S	S	*	*	H	α-helix	trans	-68	-35.1	176.4	-83.4	-72.3	0	0	0	112.4	I9 F10 G17	I9-F13 HydrophobicContact CG2-CD2 3.59Å; I9-F13 HydrophobicContact CG2-CE2 3.54Å; I9-F13 VanDerWaalsContact O-CD2 3.25Å; I9-F13 WeakPolarHBondContact O-CD2 3.38Å; I9-F13 PolarHBondContact O-N 2.83Å; F10-F13 PolarHBondContact O-N 3.49Å; F13-G17 PolarHBondContact O-N 3.25Å
14	L	54.5	Low	54.6	Low	98 Å²	98	121.9 Å²	121.9	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-68.6	-40.8	176	-150	85.2	0	0	0	111.5	F10 I12 G17 I18	F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 3.48Å; I12-L14 VanDerWaalsContact C-N 3.35Å; L14-G17 PolarHBondContact O-N 2.92Å; L14-I18 HydrophobicContact CD2-CD1 4.44Å; L14-I18 HydrophobicContact CG-CD1 4.3Å; L14-I18 WeakPolarHBondContact O-CB 3.05Å; L14-I18 WeakPolarHBondContact O-CD1 3.37Å; L14-I18 WeakPolarHBondContact O-CG1 3.04Å; L14-I18 PolarHBondContact O-N 2.78Å
15	S	52.2	Low	53.7	Low	61 Å²	61	116.6 Å²	116.6	43%	0.427	59%	0.585	S	S	.	*	H	α-helix	trans	-72	-37.4	177.3	57	0	0	0	0	112.5	H11 I12 I18 V19	H11-S15 WeakPolarHBondContact O-CB 3.08Å; H11-S15 PolarHBondContact O-N 3.07Å; H11-S15 PolarHBondContact O-OG 3.15Å; I12-S15 WeakPolarHBondContact CA-OG 3.05Å; I12-S15 PolarHBondContact O-N 2.81Å; I12-S15 PolarHBondContact O-OG 3.18Å; I12-S15 VanDerWaalsContact O-OG 3.04Å; S15-I18 PolarHBondContact O-N 2.98Å; S15-V19 WeakPolarHBondContact O-CB 2.81Å; S15-V19 WeakPolarHBondContact O-CG2 3.31Å; S15-V19 PolarHBondContact O-N 3.3Å
16	L	50.9	Low	53	Low	102 Å²	102	118.9 Å²	118.9	53%	0.534	59%	0.589	S	S	.	*	H	α-helix	trans	-65.1	-38.5	170.9	-79	161.7	0	0	0	112.2	I12 V19 Y20	I12-L16 HydrophobicContact CG2-CD1 3.66Å; I12-L16 WeakPolarHBondContact O-CB 3.32Å; I12-L16 WeakPolarHBondContact O-CD1 3.49Å; I12-L16 WeakPolarHBondContact O-CG 3.25Å; I12-L16 PolarHBondContact O-N 3.35Å; L16-V19 PolarHBondContact O-N 2.97Å; L16-Y20 PolarHBondContact O-N 3.14Å
17	G	46.7	Very low	52.5	Low	33 Å²	33	113.8 Å²	113.8	34%	0.34	58%	0.581	S	S	.	*	H	α-helix	trans	-66.3	-38.9	175.5	0	0	0	0	0	113.3	F13 L14 Y20 I21	F13-G17 PolarHBondContact O-N 3.25Å; L14-G17 PolarHBondContact O-N 2.92Å; G17-Y20 PolarHBondContact O-N 2.88Å; G17-I21 WeakPolarHBondContact O-CG1 3.5Å; G17-I21 PolarHBondContact O-N 2.82Å
18	I	50.7	Low	52.2	Low	95 Å²	95	109 Å²	109	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-72	-34.1	176.5	-66.9	164	0	0	0	111.4	L14 S15 I21 K22	L14-I18 HydrophobicContact CD2-CD1 4.44Å; L14-I18 HydrophobicContact CG-CD1 4.3Å; L14-I18 WeakPolarHBondContact O-CB 3.05Å; L14-I18 WeakPolarHBondContact O-CD1 3.37Å; L14-I18 WeakPolarHBondContact O-CG1 3.04Å; L14-I18 PolarHBondContact O-N 2.78Å; S15-I18 PolarHBondContact O-N 2.98Å; I18-I21 PolarHBondContact O-N 3.43Å; I18-K22 PolarHBondContact O-N 3.45Å
19	V	45.7	Very low	51.9	Low	84 Å²	84	105.2 Å²	105.2	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-67.8	-36.1	173.2	171.1	0	0	0	0	111.2	S15 L16 I21 K22 I23	S15-V19 WeakPolarHBondContact O-CB 2.81Å; S15-V19 WeakPolarHBondContact O-CG2 3.31Å; S15-V19 PolarHBondContact O-N 3.3Å; L16-V19 PolarHBondContact O-N 2.97Å; V19-I21 PolarHBondContact O-N 3.18Å; V19-K22 PolarHBondContact O-N 3.08Å; V19-I23 HydrophobicContact CG1-CD1 4.05Å; V19-I23 WeakPolarHBondContact O-CG1 3.41Å; V19-I23 PolarHBondContact O-N 3.5Å
20	Y	45	Very low	51.6	Low	197 Å²	197	105.7 Å²	105.7	77%	0.773	58%	0.581	S	S	*	*	H	α-helix	trans	-67.1	-33.9	175	-131.5	-91.9	0	0	0	112.9	L16 G17 K22 I23	L16-Y20 PolarHBondContact O-N 3.14Å; G17-Y20 PolarHBondContact O-N 2.88Å; Y20-K22 VanDerWaalsContact C-N 3.33Å; Y20-I23 PolarHBondContact O-N 2.72Å
21	I	46.6	Very low	51.5	Low	136 Å²	136	100.5 Å²	100.5	70%	0.697	57%	0.567	S	S	*	*	H	α-helix	trans	-71.1	-28.9	176.5	-67.4	166.7	0	0	0	111.7	G17 I18 V19 I23	G17-I21 WeakPolarHBondContact O-CG1 3.5Å; G17-I21 PolarHBondContact O-N 2.82Å; I18-I21 PolarHBondContact O-N 3.43Å; V19-I21 PolarHBondContact O-N 3.18Å; I21-I23 VanDerWaalsContact C-N 3.34Å
22	K	44.3	Very low	51.5	Low	185 Å²	185	99.7 Å²	99.7	80%	0.804	57%	0.566	S	S	*	*	H	α-helix	trans	-81.1	-9.1	176.8	-81.7	-160.9	171.9	-171.9	0	114.6	I18 V19 Y20	I18-K22 PolarHBondContact O-N 3.45Å; V19-K22 PolarHBondContact O-N 3.08Å; Y20-K22 VanDerWaalsContact C-N 3.33Å
23	I	48.3	Very low	51.9	Low	126 Å²	126	97.9 Å²	97.9	65%	0.646	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	79.5	176.6	-57.2	167.7	0	0	0	108.2	V19 Y20 I21 G25	V19-I23 HydrophobicContact CG1-CD1 4.05Å; V19-I23 WeakPolarHBondContact O-CG1 3.41Å; V19-I23 PolarHBondContact O-N 3.5Å; Y20-I23 PolarHBondContact O-N 2.72Å; I21-I23 VanDerWaalsContact C-N 3.34Å; I23-G25 PolarHBondContact O-N 3.47Å
24	G	47.4	Very low	52.9	Low	71 Å²	71	91.2 Å²	91.2	73%	0.732	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	32	155.6	0	0	0	0	0	118.2	F26	G24-F26 PolarHBondContact O-N 3.35Å
25	G	43.6	Very low	53.8	Low	64 Å²	64	88.3 Å²	88.3	66%	0.66	52%	0.524	S	S	*	.			trans	-75.3	107.7	168.4	0	0	0	0	0	111.2	I23 S27	I23-G25 PolarHBondContact O-N 3.47Å; G25-S27 PolarHBondContact O-N 3.07Å
26	F	46.5	Very low	55.1	Low	115 Å²	115	89.7 Å²	89.7	50%	0.504	53%	0.526	S	S	.	.			trans	-52.8	138	165.3	-75.3	-85.6	0	0	0	109.6	G24 S28	G24-F26 PolarHBondContact O-N 3.35Å; F26-S28 PolarHBondContact O-N 2.98Å
27	S	51.3	Low	56.7	Low	72 Å²	72	89.8 Å²	89.8	50%	0.503	53%	0.526	S	S	.	.			trans	-51.6	131.3	172	176.5	0	0	0	0	109.5	G25 V29 V30 A31	G25-S27 PolarHBondContact O-N 3.07Å; S27-V29 PolarHBondContact O-N 3.45Å; S27-V30 WeakPolarHBondContact O-CA 3.5Å; S27-V30 WeakPolarHBondContact O-CB 2.81Å; S27-V30 PolarHBondContact O-N 3.34Å; S27-A31 PolarHBondContact O-N 3.41Å
28	S	55.1	Low	58.6	Low	91 Å²	91	88.2 Å²	88.2	64%	0.636	51%	0.51	S	S	*	.	H	α-helix	trans	-54.4	-29.5	-175.7	30.2	0	0	0	0	112.9	F26 L32	F26-S28 PolarHBondContact O-N 2.98Å; S28-L32 WeakPolarHBondContact O-CB 3.28Å; S28-L32 WeakPolarHBondContact O-CD1 3.48Å; S28-L32 PolarHBondContact O-N 3.27Å
29	V	54.8	Low	60.3	Low	111 Å²	111	88 Å²	88	67%	0.673	51%	0.51	S	S	*	.	H	α-helix	trans	-69.3	-41.1	174.8	-176.8	0	0	0	0	112.2	S27 L32 G33	S27-V29 PolarHBondContact O-N 3.45Å; V29-L32 PolarHBondContact O-N 3.2Å; V29-G33 PolarHBondContact O-N 2.68Å; V29-G33 VanDerWaalsContact O-N 3.09Å
30	V	59.4	Low	62.2	Low	80 Å²	80	92 Å²	92	49%	0.485	52%	0.52	S	S	.	.	H	α-helix	trans	-69.7	-38.9	176.7	179.9	0	0	0	0	110.4	S27 G33 A34	S27-V30 WeakPolarHBondContact O-CA 3.5Å; S27-V30 WeakPolarHBondContact O-CB 2.81Å; S27-V30 PolarHBondContact O-N 3.34Å; V30-G33 PolarHBondContact O-N 3.36Å; V30-A34 WeakPolarHBondContact O-CB 3.25Å; V30-A34 PolarHBondContact O-N 3.21Å
31	A	59.8	Low	64.1	Low	48 Å²	48	84.3 Å²	84.3	40%	0.397	49%	0.492	S	S	.	.	H	α-helix	trans	-63.3	-40.4	175.1	0	0	0	0	0	112.5	S27 S35	S27-A31 PolarHBondContact O-N 3.41Å; A31-S35 WeakPolarHBondContact O-CB 3.41Å; A31-S35 PolarHBondContact O-N 2.94Å
32	L	60.6	Low	66	Low	108 Å²	108	81.6 Å²	81.6	57%	0.565	48%	0.484	S	S	*	.	H	α-helix	trans	-62.9	-45.4	173.1	-99.8	132.4	0	0	0	111.6	S28 V29 S35 I36	S28-L32 WeakPolarHBondContact O-CB 3.28Å; S28-L32 WeakPolarHBondContact O-CD1 3.48Å; S28-L32 PolarHBondContact O-N 3.27Å; V29-L32 PolarHBondContact O-N 3.2Å; L32-S35 PolarHBondContact O-N 2.97Å; L32-S35 PolarHBondContact O-OG 3.36Å; L32-I36 WeakPolarHBondContact O-CG1 3.47Å; L32-I36 PolarHBondContact O-N 3.3Å
33	G	71.2	Confident	68.1	Low	32 Å²	32	74.3 Å²	74.3	33%	0.33	46%	0.461	S	S	.	.	H	α-helix	trans	-61.1	-45.5	176.5	0	0	0	0	0	113.6	V29 V30 S35 I36 I37	V29-G33 PolarHBondContact O-N 2.68Å; V29-G33 VanDerWaalsContact O-N 3.09Å; V30-G33 PolarHBondContact O-N 3.36Å; G33-S35 PolarHBondContact O-N 2.98Å; G33-I36 PolarHBondContact O-N 3.05Å; G33-I37 WeakPolarHBondContact O-CG1 3.34Å; G33-I37 PolarHBondContact O-N 2.69Å
34	A	75.6	Confident	70.1	Confident	6 Å²	6	68.6 Å²	68.6	5%	0.05	43%	0.432	C	S	.	.	H	α-helix	trans	-61.2	-43.3	177	0	0	0	0	0	112.2	V30 I36 I37 C38 P56	V30-A34 WeakPolarHBondContact O-CB 3.25Å; V30-A34 PolarHBondContact O-N 3.21Å; A34-I36 VanDerWaalsContact C-N 3.32Å; A34-I36 PolarHBondContact O-N 3.38Å; A34-I37 PolarHBondContact O-N 2.97Å; A34-C38 WeakPolarHBondContact O-CB 3.43Å; A34-C38 PolarHBondContact O-N 3.05Å; A34-C38 PolarHBondContact O-SG 3.08Å; A34-P56 HydrophobicContact CB-CB 3.77Å; A34-P56 HydrophobicContact CB-CG 3.8Å
35	S	74.3	Confident	72.1	Confident	37 Å²	37	66.1 Å²	66.1	26%	0.259	41%	0.405	S	S	.	.	H	α-helix	trans	-61	-39	178.8	77.4	0	0	0	0	113	A31 L32 G33 N39	A31-S35 WeakPolarHBondContact O-CB 3.41Å; A31-S35 PolarHBondContact O-N 2.94Å; L32-S35 PolarHBondContact O-N 2.97Å; L32-S35 PolarHBondContact O-OG 3.36Å; G33-S35 PolarHBondContact O-N 2.98Å; S35-N39 VanDerWaalsContact O-CB 3.31Å; S35-N39 WeakPolarHBondContact O-CB 3.28Å; S35-N39 PolarHBondContact O-N 2.69Å; S35-N39 PolarHBondContact O-ND2 2.82Å
36	I	79.4	Confident	74.4	Confident	90 Å²	90	67.6 Å²	67.6	46%	0.462	40%	0.403	S	S	.	.	H	α-helix	trans	-69.6	-44.3	179.8	-65.7	165.4	0	0	0	110.6	L32 G33 A34 K40	L32-I36 WeakPolarHBondContact O-CG1 3.47Å; L32-I36 PolarHBondContact O-N 3.3Å; G33-I36 PolarHBondContact O-N 3.05Å; A34-I36 VanDerWaalsContact C-N 3.32Å; A34-I36 PolarHBondContact O-N 3.38Å; I36-K40 HydrophobicContact CG2-CD 4.46Å; I36-K40 WeakPolarHBondContact O-CG 3.48Å; I36-K40 PolarHBondContact O-N 3.46Å
37	I	83.8	Confident	76.6	Confident	104 Å²	104	69.1 Å²	69.1	53%	0.533	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-53.8	180	-65.1	167	0	0	0	109.9	G33 A34 N39 K40 I41	G33-I37 WeakPolarHBondContact O-CG1 3.34Å; G33-I37 PolarHBondContact O-N 2.69Å; A34-I37 PolarHBondContact O-N 2.97Å; I37-N39 VanDerWaalsContact C-N 3.27Å; I37-N39 PolarHBondContact O-N 3.15Å; I37-K40 PolarHBondContact O-N 2.91Å; I37-I41 HydrophobicContact CG2-CD1 4.4Å; I37-I41 WeakPolarHBondContact O-CG1 3.35Å; I37-I41 PolarHBondContact O-N 2.98Å
38	C	87.3	Confident	78.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-63.1	-30.7	-175.5	-65.7	0	0	0	0	113.7	A34 C52 Q53	A34-C38 WeakPolarHBondContact O-CB 3.43Å; A34-C38 PolarHBondContact O-N 3.05Å; A34-C38 PolarHBondContact O-SG 3.08Å; C38-C52 HydrophobicContact CB-CB 3.71Å; C38-C52 WeakPolarHBondContact CB-SG 3.48Å; C38-C52 WeakPolarHBondContact SG-CB 3.44Å; C38-C52 PolarHBondContact SG-O 3.04Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 2.92Å; C38-Q53 HydrophobicContact CB-CG 4.01Å
39	N	85.8	Confident	80.5	Confident	92 Å²	92	65 Å²	65	49%	0.492	36%	0.364	S	S	.	.	H	α-helix	trans	-74.7	-27.2	176.1	-75.3	-26.9	0	0	0	112.9	S35 I37	S35-N39 VanDerWaalsContact O-CB 3.31Å; S35-N39 WeakPolarHBondContact O-CB 3.28Å; S35-N39 PolarHBondContact O-N 2.69Å; S35-N39 PolarHBondContact O-ND2 2.82Å; I37-N39 VanDerWaalsContact C-N 3.27Å; I37-N39 PolarHBondContact O-N 3.15Å
40	K	85.5	Confident	82.3	Confident	166 Å²	166	62.2 Å²	62.2	72%	0.722	35%	0.353	S	S	*	.	H	α-helix	trans	-84.3	-14.9	178.6	-74.3	-175.5	177.6	-175.1	0	113.8	I36 I37 P42	I36-K40 HydrophobicContact CG2-CD 4.46Å; I36-K40 WeakPolarHBondContact O-CG 3.48Å; I36-K40 PolarHBondContact O-N 3.46Å; I37-K40 PolarHBondContact O-N 2.91Å; K40-P42 WeakPolarHBondContact O-CD 3.37Å
41	I	86.4	Confident	83.9	Confident	36 Å²	36	59.7 Å²	59.7	19%	0.185	34%	0.337	C	S	.	.	S	Bend	trans	-69.7	113.2	177.7	-62	170.9	0	0	0	109.1	I37 L44 I59 F93	I37-I41 HydrophobicContact CG2-CD1 4.4Å; I37-I41 WeakPolarHBondContact O-CG1 3.35Å; I37-I41 PolarHBondContact O-N 2.98Å; I41-L44 HydrophobicContact CB-CD1 3.8Å; I41-L44 HydrophobicContact CB-CG 4.11Å; I41-L44 HydrophobicContact CD1-CD1 4.17Å; I41-L44 HydrophobicContact CG2-CD1 3.89Å; I41-L44 HydrophobicContact CG2-CD2 4.48Å; I41-L44 HydrophobicContact CG2-CG 3.77Å; I41-I59 HydrophobicContact CD1-CG1 3.65Å; I41-I59 HydrophobicContact CD1-CG2 4.32Å; I41-F93 HydrophobicContact CG2-CD2 3.72Å; I41-F93 HydrophobicContact CG2-CE2 4.07Å
42	P	86.5	Confident	85.5	Confident	80 Å²	80	57.5 Å²	57.5	52%	0.519	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	143.3	180	31.5	-37.2	0	0	0	110.8	K40 L44 T91	K40-P42 WeakPolarHBondContact O-CD 3.37Å; P42-L44 PolarHBondContact O-N 3.14Å; P42-T91 HydrophobicContact CB-CG2 3.69Å; P42-T91 HydrophobicContact CG-CG2 3.36Å
43	G	86.7	Confident	87	Confident	32 Å²	32	56 Å²	56	33%	0.33	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-3.5	175.6	0	0	0	0	0	116.5	F93 G94	G43-F93 WeakPolarHBondContact CA-O 3.23Å; G43-G94 WeakPolarHBondContact O-CA 2.97Å; G43-G94 PolarHBondContact O-N 3.43Å
44	L	90.6	Very high	88	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.026	31%	0.314	C	S	.	.			trans	-71.3	132.1	170.8	-68.6	-175.4	0	0	0	111.9	I41 P42 Q48 R49 C52 I59 F93 F166	I41-L44 HydrophobicContact CB-CD1 3.8Å; I41-L44 HydrophobicContact CB-CG 4.11Å; I41-L44 HydrophobicContact CD1-CD1 4.17Å; I41-L44 HydrophobicContact CG2-CD1 3.89Å; I41-L44 HydrophobicContact CG2-CD2 4.48Å; I41-L44 HydrophobicContact CG2-CG 3.77Å; P42-L44 PolarHBondContact O-N 3.14Å; L44-Q48 HydrophobicContact CB-CB 4.38Å; L44-Q48 HydrophobicContact CD2-CB 4.12Å; L44-R49 HydrophobicContact CB-CG 3.73Å; L44-R49 HydrophobicContact CD1-CG 4.26Å; L44-R49 PolarHBondContact O-NH1 3.5Å; L44-R49 PolarHBondContact O-NH2 3.45Å; L44-C52 HydrophobicContact CD1-CB 4.37Å; L44-I59 HydrophobicContact CD1-CD1 4.29Å; L44-I59 HydrophobicContact CD2-CD1 4.36Å; L44-F93 HydrophobicContact CD2-CB 4.07Å; L44-F93 HydrophobicContact CD2-CD1 4.09Å; L44-F93 HydrophobicContact CD2-CD2 3.74Å; L44-F93 HydrophobicContact CD2-CE2 4.18Å; L44-F93 HydrophobicContact CD2-CG 3.69Å; L44-F93 HydrophobicContact CG-CD2 4.35Å; L44-F166 HydrophobicContact CD2-CE2 4.38Å; L44-F166 HydrophobicContact CD2-CZ 3.69Å
45	A	90.9	Very high	88.7	Confident	20 Å²	20	58.9 Å²	58.9	17%	0.165	32%	0.318	C	S	.	.			trans	-70.2	156.8	169.4	0	0	0	0	0	111.2	R47 Q48 R49 R170	A45-R47 VanDerWaalsContact C-N 3.3Å; A45-R47 PolarHBondContact O-N 2.88Å; A45-Q48 HydrophobicContact CB-CB 4.47Å; A45-Q48 HydrophobicContact CB-CG 4.19Å; A45-Q48 WeakPolarHBondContact O-CA 3.34Å; A45-Q48 WeakPolarHBondContact O-CB 3.49Å; A45-Q48 PolarHBondContact O-N 2.61Å; A45-R49 PolarHBondContact O-N 3.06Å; A45-R170 HydrophobicContact CB-CB 4.06Å
46	P	91.6	Very high	89.4	Confident	95 Å²	95	58.8 Å²	58.8	62%	0.617	32%	0.316	S	S	*	.	H	α-helix	trans	-52.7	-42	-179.4	-28.7	35.7	0	0	0	114.5	R49 A50	P46-R49 PolarHBondContact O-N 3.25Å; P46-A50 PolarHBondContact O-N 2.93Å
47	R	92.8	Very high	89.9	Confident	146 Å²	146	57 Å²	57	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-67.7	-36	176.1	-72	-175.1	174.2	175.4	-2.5	112.9	A45 R49 A50 I51 A169	A45-R47 VanDerWaalsContact C-N 3.3Å; A45-R47 PolarHBondContact O-N 2.88Å; R47-R49 VanDerWaalsContact C-N 3.33Å; R47-A50 PolarHBondContact O-N 2.92Å; R47-I51 WeakPolarHBondContact O-CG1 3.46Å; R47-I51 PolarHBondContact O-N 3.25Å; R47-I51 VanDerWaalsContact O-N 3.14Å; R47-A169 HydrophobicContact CB-CB 3.86Å
48	Q	94.2	Very high	90.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-34.8	175.1	-66	177.5	-46.8	0	0	111.9	L44 A45 I51 C52 F166 A169	L44-Q48 HydrophobicContact CB-CB 4.38Å; L44-Q48 HydrophobicContact CD2-CB 4.12Å; A45-Q48 HydrophobicContact CB-CB 4.47Å; A45-Q48 HydrophobicContact CB-CG 4.19Å; A45-Q48 WeakPolarHBondContact O-CA 3.34Å; A45-Q48 WeakPolarHBondContact O-CB 3.49Å; A45-Q48 PolarHBondContact O-N 2.61Å; Q48-I51 PolarHBondContact O-N 2.85Å; Q48-C52 WeakPolarHBondContact O-CB 3.44Å; Q48-C52 PolarHBondContact O-N 3.42Å; Q48-F166 HydrophobicContact CB-CD2 4.41Å; Q48-F166 HydrophobicContact CB-CE2 3.85Å; Q48-F166 HydrophobicContact CB-CZ 4.08Å; Q48-F166 HydrophobicContact CG-CD2 4.46Å; Q48-F166 HydrophobicContact CG-CE1 4.49Å; Q48-F166 HydrophobicContact CG-CE2 4.22Å; Q48-F166 HydrophobicContact CG-CZ 4.24Å; Q48-F166 WeakPolarHBondContact CG-O 3.41Å; Q48-F166 PolarHBondContact NE2-O 3.33Å; Q48-A169 HydrophobicContact CG-CB 3.75Å
49	R	93.7	Very high	90.5	Very high	75 Å²	75	52.6 Å²	52.6	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-41.9	173	-67.6	-169.7	-170.7	97.8	3.7	112	L44 A45 P46 R47 I51 C52 Q53	L44-R49 HydrophobicContact CB-CG 3.73Å; L44-R49 HydrophobicContact CD1-CG 4.26Å; L44-R49 PolarHBondContact O-NH1 3.5Å; L44-R49 PolarHBondContact O-NH2 3.45Å; A45-R49 PolarHBondContact O-N 3.06Å; P46-R49 PolarHBondContact O-N 3.25Å; R47-R49 VanDerWaalsContact C-N 3.33Å; R49-I51 VanDerWaalsContact C-N 3.32Å; R49-I51 PolarHBondContact O-N 3.13Å; R49-C52 WeakPolarHBondContact O-CB 3.39Å; R49-C52 PolarHBondContact O-N 3.07Å; R49-Q53 VanDerWaalsContact O-CG 3.28Å; R49-Q53 WeakPolarHBondContact O-CG 3.29Å; R49-Q53 PolarHBondContact O-N 2.98Å
50	A	92.8	Very high	90.7	Very high	54 Å²	54	53.5 Å²	53.5	45%	0.446	29%	0.289	S	S	.	.	H	α-helix	trans	-61.3	-41.7	175.4	0	0	0	0	0	111.7	P46 R47 Q53 S54	P46-A50 PolarHBondContact O-N 2.93Å; R47-A50 PolarHBondContact O-N 2.92Å; A50-Q53 PolarHBondContact O-N 3.03Å; A50-S54 PolarHBondContact O-N 2.84Å; A50-S54 VanDerWaalsContact O-N 3.11Å
51	I	93.3	Very high	91.2	Very high	26 Å²	26	46.2 Å²	46.2	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-47.1	175.2	-63	160.4	0	0	0	110.6	R47 Q48 R49 Q53 S54 R55 F162 V165 F166 A169	R47-I51 WeakPolarHBondContact O-CG1 3.46Å; R47-I51 PolarHBondContact O-N 3.25Å; R47-I51 VanDerWaalsContact O-N 3.14Å; Q48-I51 PolarHBondContact O-N 2.85Å; R49-I51 VanDerWaalsContact C-N 3.32Å; R49-I51 PolarHBondContact O-N 3.13Å; I51-Q53 VanDerWaalsContact C-N 3.29Å; I51-Q53 PolarHBondContact O-N 3.18Å; I51-S54 PolarHBondContact O-N 2.88Å; I51-S54 VanDerWaalsContact O-N 3.08Å; I51-S54 PolarHBondContact O-OG 2.82Å; I51-R55 PolarHBondContact O-N 3.16Å; I51-F162 HydrophobicContact CG2-CE2 3.94Å; I51-V165 HydrophobicContact CD1-CG1 3.77Å; I51-V165 WeakPolarHBondContact CD1-O 3.37Å; I51-V165 HydrophobicContact CG1-CG1 4.27Å; I51-F166 HydrophobicContact CB-CD2 4.24Å; I51-F166 HydrophobicContact CD1-CD2 4.47Å; I51-F166 HydrophobicContact CG2-CD2 3.93Å; I51-A169 HydrophobicContact CD1-CB 3.85Å
52	C	93.3	Very high	91.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.014	25%	0.25	C	C	.	.	H	α-helix	trans	-56.5	-41.7	175.7	-179.5	0	0	0	0	112.1	C38 L44 Q48 R49 S54 R55 P56 I59	C38-C52 HydrophobicContact CB-CB 3.71Å; C38-C52 WeakPolarHBondContact CB-SG 3.48Å; C38-C52 WeakPolarHBondContact SG-CB 3.44Å; C38-C52 PolarHBondContact SG-O 3.04Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 2.92Å; L44-C52 HydrophobicContact CD1-CB 4.37Å; Q48-C52 WeakPolarHBondContact O-CB 3.44Å; Q48-C52 PolarHBondContact O-N 3.42Å; R49-C52 WeakPolarHBondContact O-CB 3.39Å; R49-C52 PolarHBondContact O-N 3.07Å; C52-S54 VanDerWaalsContact C-N 3.3Å; C52-S54 PolarHBondContact O-N 3.06Å; C52-R55 CarbonylContact O-C 3.54Å; C52-R55 PolarHBondContact O-N 3.03Å; C52-P56 WeakPolarHBondContact O-CA 3.32Å; C52-P56 WeakPolarHBondContact O-CD 3.48Å; C52-I59 HydrophobicContact CB-CD1 4.22Å; C52-I59 HydrophobicContact CB-CG1 4.46Å
53	Q	92.3	Very high	92	Very high	78 Å²	78	41.5 Å²	41.5	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-34.5	177.6	-73.6	170.8	-7.9	0	0	112.4	C38 R49 A50 I51	C38-Q53 HydrophobicContact CB-CG 4.01Å; R49-Q53 VanDerWaalsContact O-CG 3.28Å; R49-Q53 WeakPolarHBondContact O-CG 3.29Å; R49-Q53 PolarHBondContact O-N 2.98Å; A50-Q53 PolarHBondContact O-N 3.03Å; I51-Q53 VanDerWaalsContact C-N 3.29Å; I51-Q53 PolarHBondContact O-N 3.18Å
54	S	90.5	Very high	92.3	Very high	62 Å²	62	45.7 Å²	45.7	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-77.9	-29.9	175.9	70.4	0	0	0	0	113.8	A50 I51 C52	A50-S54 PolarHBondContact O-N 2.84Å; A50-S54 VanDerWaalsContact O-N 3.11Å; I51-S54 PolarHBondContact O-N 2.88Å; I51-S54 VanDerWaalsContact O-N 3.08Å; I51-S54 PolarHBondContact O-OG 2.82Å; C52-S54 VanDerWaalsContact C-N 3.3Å; C52-S54 PolarHBondContact O-N 3.06Å
55	R	90.4	Very high	92.6	Very high	35 Å²	35	45.5 Å²	45.5	13%	0.132	24%	0.242	C	C	.	.			trans	-137.3	69.3	-176.1	-69.8	-60.8	-54.8	-87.6	3.4	110.5	I51 C52 D57 A58 S129 D130 Y158 F162	I51-R55 PolarHBondContact O-N 3.16Å; C52-R55 CarbonylContact O-C 3.54Å; C52-R55 PolarHBondContact O-N 3.03Å; R55-D57 VanDerWaalsContact C-N 3.27Å; R55-D57 VanDerWaalsContact C-OD1 3.28Å; R55-D57 WeakPolarHBondContact CA-OD1 3.44Å; R55-D57 IonicContact CZ-OD1 3.4Å; R55-D57 IonicContact CZ-OD2 3.99Å; R55-D57 IonicContact NE-OD1 2.98Å; R55-D57 PolarHBondContact NE-OD1 3.17Å; R55-D57 IonicContact NE-OD2 3.77Å; R55-D57 IonicContact NH2-OD1 2.8Å; R55-D57 IonicContact NH2-OD2 3.98Å; R55-D57 PolarHBondContact NH2-OD2 3.25Å; R55-D57 PolarHBondContact O-N 3.09Å; R55-A58 HydrophobicContact CB-CB 4.11Å; R55-A58 PolarHBondContact O-N 3.3Å; R55-S129 PolarHBondContact NH2-O 3.48Å; R55-D130 IonicContact CZ-OD2 2.76Å; R55-D130 IonicContact NE-OD2 3.78Å; R55-D130 IonicContact NH1-OD2 3.88Å; R55-D130 IonicContact NH2-OD2 3.09Å; R55-Y158 PolarHBondContact NH1-OH 3.34Å; R55-Y158 VanDerWaalsContact NH1-OH 3.08Å; R55-F162 HydrophobicContact CB-CZ 3.86Å; R55-F162 HydrophobicContact CG-CZ 4.07Å
56	P	90.2	Very high	92.8	Very high	35 Å²	35	44.7 Å²	44.7	23%	0.227	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.4	-176.8	28.9	-36	0	0	0	112.7	A34 C52 A58 I59	A34-P56 HydrophobicContact CB-CB 3.77Å; A34-P56 HydrophobicContact CB-CG 3.8Å; C52-P56 WeakPolarHBondContact O-CA 3.32Å; C52-P56 WeakPolarHBondContact O-CD 3.48Å; P56-A58 VanDerWaalsContact C-N 3.31Å; P56-I59 VanDerWaalsContact O-CG2 3.23Å; P56-I59 WeakPolarHBondContact O-CG2 2.82Å
57	D	88.9	Confident	92.9	Very high	52 Å²	52	43.5 Å²	43.5	28%	0.278	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-38.3	171.6	62.4	-46.1	0	0	0	111.9	R55 I59 L128 S129	R55-D57 VanDerWaalsContact C-N 3.27Å; R55-D57 VanDerWaalsContact C-OD1 3.28Å; R55-D57 WeakPolarHBondContact CA-OD1 3.44Å; R55-D57 IonicContact CZ-OD1 3.4Å; R55-D57 IonicContact CZ-OD2 3.99Å; R55-D57 IonicContact NE-OD1 2.98Å; R55-D57 PolarHBondContact NE-OD1 3.17Å; R55-D57 IonicContact NE-OD2 3.77Å; R55-D57 IonicContact NH2-OD1 2.8Å; R55-D57 IonicContact NH2-OD2 3.98Å; R55-D57 PolarHBondContact NH2-OD2 3.25Å; R55-D57 PolarHBondContact O-N 3.09Å; D57-I59 PolarHBondContact O-N 3.38Å; D57-L128 HydrophobicContact CB-CD1 4.34Å; D57-L128 WeakPolarHBondContact OD2-CD1 3.16Å; D57-S129 PolarHBondContact OD2-N 2.77Å; D57-S129 PolarHBondContact OD2-OG 3.39Å
58	A	92.9	Very high	93.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-74.2	-22.6	-177	0	0	0	0	0	114	R55 P56 I60 V61 I62 L128 F162	R55-A58 HydrophobicContact CB-CB 4.11Å; R55-A58 PolarHBondContact O-N 3.3Å; P56-A58 VanDerWaalsContact C-N 3.31Å; A58-I60 VanDerWaalsContact C-N 3.27Å; A58-I60 PolarHBondContact O-N 3.2Å; A58-V61 PolarHBondContact O-N 3.35Å; A58-I62 HydrophobicContact CB-CD1 4.12Å; A58-I62 WeakPolarHBondContact O-CB 3.22Å; A58-I62 WeakPolarHBondContact O-CD1 3.15Å; A58-I62 WeakPolarHBondContact O-CG1 3.31Å; A58-I62 PolarHBondContact O-N 3.06Å; A58-L128 HydrophobicContact CB-CD1 3.89Å; A58-F162 HydrophobicContact CB-CE1 3.53Å; A58-F162 HydrophobicContact CB-CE2 4.44Å; A58-F162 HydrophobicContact CB-CZ 3.36Å
59	I	92.2	Very high	93.2	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.062	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-32.2	-171.6	-162.7	59.6	0	0	0	112.8	I41 L44 C52 P56 D57 G63 F93 F166	I41-I59 HydrophobicContact CD1-CG1 3.65Å; I41-I59 HydrophobicContact CD1-CG2 4.32Å; L44-I59 HydrophobicContact CD1-CD1 4.29Å; L44-I59 HydrophobicContact CD2-CD1 4.36Å; C52-I59 HydrophobicContact CB-CD1 4.22Å; C52-I59 HydrophobicContact CB-CG1 4.46Å; P56-I59 VanDerWaalsContact O-CG2 3.23Å; P56-I59 WeakPolarHBondContact O-CG2 2.82Å; D57-I59 PolarHBondContact O-N 3.38Å; I59-G63 PolarHBondContact O-N 3.26Å; I59-F93 HydrophobicContact CD1-CE2 4.39Å; I59-F93 HydrophobicContact CD1-CZ 4.21Å; I59-F166 HydrophobicContact CD1-CE2 3.75Å; I59-F166 HydrophobicContact CD1-CZ 3.71Å
60	I	90.1	Very high	93.2	Very high	112 Å²	112	36 Å²	36	57%	0.574	20%	0.197	S	C	*	.	H	α-helix	trans	-66.9	-51.4	177.6	-61.2	174.7	0	0	0	109	A58 I62 G63 E64	A58-I60 VanDerWaalsContact C-N 3.27Å; A58-I60 PolarHBondContact O-N 3.2Å; I60-I62 VanDerWaalsContact C-N 3.29Å; I60-I62 PolarHBondContact O-N 3.21Å; I60-G63 WeakPolarHBondContact O-CA 3.39Å; I60-G63 PolarHBondContact O-N 3.43Å; I60-E64 WeakPolarHBondContact O-CG 3.33Å; I60-E64 PolarHBondContact O-N 2.97Å
61	V	95.6	Very high	93.3	Very high	12 Å²	12	37.3 Å²	37.3	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-40.2	177.5	-179.8	0	0	0	0	111.6	A58 G63 E64 G65 A118 I119 A122 L128	A58-V61 PolarHBondContact O-N 3.35Å; V61-G63 VanDerWaalsContact C-N 3.35Å; V61-E64 PolarHBondContact O-N 3.43Å; V61-G65 PolarHBondContact O-N 3.36Å; V61-A118 HydrophobicContact CG1-CB 4.05Å; V61-A118 WeakPolarHBondContact CG1-O 3.25Å; V61-I119 HydrophobicContact CG1-CG1 4.18Å; V61-A122 HydrophobicContact CB-CB 4.47Å; V61-A122 HydrophobicContact CG1-CB 3.7Å; V61-A122 HydrophobicContact CG2-CB 3.88Å; V61-L128 HydrophobicContact CG2-CD1 4.38Å
62	I	95.6	Very high	93.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-40	175.9	-69.7	165.6	0	0	0	111.3	A58 I60 G65 S66 F93 V115 I119 F162 F166	A58-I62 HydrophobicContact CB-CD1 4.12Å; A58-I62 WeakPolarHBondContact O-CB 3.22Å; A58-I62 WeakPolarHBondContact O-CD1 3.15Å; A58-I62 WeakPolarHBondContact O-CG1 3.31Å; A58-I62 PolarHBondContact O-N 3.06Å; I60-I62 VanDerWaalsContact C-N 3.29Å; I60-I62 PolarHBondContact O-N 3.21Å; I62-G65 PolarHBondContact O-N 3.03Å; I62-S66 WeakPolarHBondContact O-CB 3.36Å; I62-S66 PolarHBondContact O-N 3.24Å; I62-S66 PolarHBondContact O-OG 3.46Å; I62-F93 HydrophobicContact CG2-CE1 3.87Å; I62-F93 HydrophobicContact CG2-CZ 4.04Å; I62-V115 HydrophobicContact CB-CG1 4.49Å; I62-V115 HydrophobicContact CG1-CG1 4.16Å; I62-V115 HydrophobicContact CG2-CG1 4.15Å; I62-V115 HydrophobicContact CG2-CG2 4.35Å; I62-I119 HydrophobicContact CG1-CD1 4.02Å; I62-I119 HydrophobicContact CG1-CG1 4.33Å; I62-F162 HydrophobicContact CD1-CE2 4.26Å; I62-F162 HydrophobicContact CD1-CZ 4.48Å; I62-F166 HydrophobicContact CD1-CB 4.27Å; I62-F166 HydrophobicContact CD1-CD1 4.21Å; I62-F166 HydrophobicContact CD1-CD2 3.81Å; I62-F166 HydrophobicContact CD1-CE2 4.16Å; I62-F166 HydrophobicContact CD1-CG 3.82Å; I62-F166 HydrophobicContact CG2-CD1 3.55Å; I62-F166 HydrophobicContact CG2-CE1 3.32Å; I62-F166 HydrophobicContact CG2-CG 4.27Å; I62-F166 HydrophobicContact CG2-CZ 3.83Å
63	G	92.9	Very high	93.7	Very high	15 Å²	15	36.5 Å²	36.5	16%	0.155	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-46.9	174.2	0	0	0	0	0	111.9	I59 I60 V61 S66 Q67	I59-G63 PolarHBondContact O-N 3.26Å; I60-G63 WeakPolarHBondContact O-CA 3.39Å; I60-G63 PolarHBondContact O-N 3.43Å; V61-G63 VanDerWaalsContact C-N 3.35Å; G63-S66 PolarHBondContact O-N 3.12Å; G63-Q67 WeakPolarHBondContact O-CB 2.95Å; G63-Q67 PolarHBondContact O-N 2.96Å
64	E	93.9	Very high	93.8	Very high	120 Å²	120	36 Å²	36	56%	0.561	19%	0.19	S	C	*	.	H	α-helix	trans	-59.9	-44.9	175.4	-70.3	175.6	175.9	0	0	111.9	I60 V61 S66 Q67 M68	I60-E64 WeakPolarHBondContact O-CG 3.33Å; I60-E64 PolarHBondContact O-N 2.97Å; V61-E64 PolarHBondContact O-N 3.43Å; E64-S66 PolarHBondContact O-N 3.29Å; E64-Q67 PolarHBondContact O-N 2.03Å; E64-M68 WeakPolarHBondContact O-CB 3.15Å; E64-M68 PolarHBondContact O-N 2.89Å
65	G	96.9	Very high	94	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-37.9	176.2	0	0	0	0	0	113.4	V61 I62 M68 G69 G114 A118	V61-G65 PolarHBondContact O-N 3.36Å; I62-G65 PolarHBondContact O-N 3.03Å; G65-M68 WeakPolarHBondContact O-CB 3.38Å; G65-M68 PolarHBondContact O-N 3.34Å; G65-G69 PolarHBondContact O-N 3.33Å; G65-G114 VanDerWaalsContact CA-O 3.27Å; G65-G114 WeakPolarHBondContact CA-O 3.07Å; G65-G114 CarbonylContact O-C 3.6Å; G65-G114 WeakPolarHBondContact O-CA 3.49Å; G65-A118 VanDerWaalsContact CA-CB 3.43Å
66	S	95	Very high	94.3	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.028	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-44.3	174.1	-59.6	0	0	0	0	111.2	I62 G63 E64 M68 G69 I70 V115	I62-S66 WeakPolarHBondContact O-CB 3.36Å; I62-S66 PolarHBondContact O-N 3.24Å; I62-S66 PolarHBondContact O-OG 3.46Å; G63-S66 PolarHBondContact O-N 3.12Å; E64-S66 PolarHBondContact O-N 3.29Å; S66-M68 VanDerWaalsContact C-N 3.35Å; S66-G69 PolarHBondContact O-N 3.42Å; S66-I70 WeakPolarHBondContact O-CG1 3.28Å; S66-I70 PolarHBondContact O-N 2.92Å; S66-V115 WeakPolarHBondContact OG-CG2 3.38Å
67	Q	93.7	Very high	94.5	Very high	69 Å²	69	33.8 Å²	33.8	32%	0.322	17%	0.17	S	C	.	.	H	α-helix	trans	-64.5	-39.4	176.6	-171	62.5	55.4	0	0	111.9	G63 E64 G69 I70 N71 V92	G63-Q67 WeakPolarHBondContact O-CB 2.95Å; G63-Q67 PolarHBondContact O-N 2.96Å; E64-Q67 PolarHBondContact O-N 2.03Å; Q67-G69 VanDerWaalsContact C-N 3.31Å; Q67-G69 PolarHBondContact O-N 3.31Å; Q67-I70 PolarHBondContact O-N 3.48Å; Q67-N71 PolarHBondContact NE2-OD1 3.3Å; Q67-N71 WeakPolarHBondContact O-CB 3.47Å; Q67-N71 PolarHBondContact O-N 3.13Å; Q67-N71 PolarHBondContact O-ND2 3.16Å; Q67-N71 PolarHBondContact O-OD1 3.35Å; Q67-V92 HydrophobicContact CB-CG1 4.26Å
68	M	96.2	Very high	94.6	Very high	62 Å²	62	37.1 Å²	37.1	31%	0.305	18%	0.179	S	C	.	.	H	α-helix	trans	-57.1	-46	173.6	-172.1	-170	-61.7	0	0	110.9	E64 G65 S66 N71 E72 F221	E64-M68 WeakPolarHBondContact O-CB 3.15Å; E64-M68 PolarHBondContact O-N 2.89Å; G65-M68 WeakPolarHBondContact O-CB 3.38Å; G65-M68 PolarHBondContact O-N 3.34Å; S66-M68 VanDerWaalsContact C-N 3.35Å; M68-N71 PolarHBondContact O-N 3.37Å; M68-E72 WeakPolarHBondContact O-CB 3.35Å; M68-E72 PolarHBondContact O-N 2.62Å; M68-F221 HydrophobicContact CG-CB 4.49Å; M68-F221 HydrophobicContact CG-CD1 3.55Å; M68-F221 HydrophobicContact CG-CD2 4.45Å; M68-F221 HydrophobicContact CG-CE1 3.77Å; M68-F221 HydrophobicContact CG-CG 3.91Å; M68-F221 HydrophobicContact CG-CZ 4.33Å; M68-F221 HydrophobicContact SD-CB 3.88Å; M68-F221 HydrophobicContact SD-CD1 3.81Å; M68-F221 HydrophobicContact SD-CD2 3.67Å; M68-F221 HydrophobicContact SD-CE1 4.22Å; M68-F221 HydrophobicContact SD-CE2 4.13Å; M68-F221 HydrophobicContact SD-CG 3.49Å; M68-F221 WeakPolarHBondContact SD-CG 3.48Å; M68-F221 HydrophobicContact SD-CZ 4.38Å
69	G	96.3	Very high	94.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-44.1	174.7	0	0	0	0	0	113.5	G65 S66 Q67 E72 C73	G65-G69 PolarHBondContact O-N 3.33Å; S66-G69 PolarHBondContact O-N 3.42Å; Q67-G69 VanDerWaalsContact C-N 3.31Å; Q67-G69 PolarHBondContact O-N 3.31Å; G69-E72 PolarHBondContact O-N 3.01Å; G69-C73 VanDerWaalsContact O-CB 3.31Å; G69-C73 WeakPolarHBondContact O-CB 3.15Å; G69-C73 PolarHBondContact O-N 3.16Å
70	I	94	Very high	94.3	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-45.6	178.1	-67.6	165.8	0	0	0	111.1	S66 Q67 E72 C73 Q74 V92 I111	S66-I70 WeakPolarHBondContact O-CG1 3.28Å; S66-I70 PolarHBondContact O-N 2.92Å; Q67-I70 PolarHBondContact O-N 3.48Å; I70-E72 VanDerWaalsContact C-N 3.31Å; I70-E72 PolarHBondContact O-N 3.05Å; I70-C73 WeakPolarHBondContact O-CB 3.4Å; I70-C73 PolarHBondContact O-N 2.86Å; I70-Q74 WeakPolarHBondContact O-CG 3Å; I70-Q74 PolarHBondContact O-N 2.95Å; I70-V92 HydrophobicContact CD1-CB 4.39Å; I70-V92 HydrophobicContact CD1-CG1 4.26Å; I70-I111 HydrophobicContact CG1-CD1 4.17Å; I70-I111 HydrophobicContact CG1-CG1 4.44Å
71	N	95.3	Very high	94.4	Very high	81 Å²	81	39.3 Å²	39.3	43%	0.433	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-42.5	178.7	-70.7	-9.6	0	0	0	111.2	Q67 M68 Q74 F75	Q67-N71 PolarHBondContact NE2-OD1 3.3Å; Q67-N71 WeakPolarHBondContact O-CB 3.47Å; Q67-N71 PolarHBondContact O-N 3.13Å; Q67-N71 PolarHBondContact O-ND2 3.16Å; Q67-N71 PolarHBondContact O-OD1 3.35Å; M68-N71 PolarHBondContact O-N 3.37Å; N71-Q74 PolarHBondContact O-N 2.98Å; N71-F75 WeakPolarHBondContact O-CB 3.48Å; N71-F75 PolarHBondContact O-N 2.9Å
72	E	97.9	Very high	94.2	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-69	-36.9	177.3	-170.7	54.7	-151.2	0	0	111.7	M68 G69 I70 F75 Q76 I110 F221 R222	M68-E72 WeakPolarHBondContact O-CB 3.35Å; M68-E72 PolarHBondContact O-N 2.62Å; G69-E72 PolarHBondContact O-N 3.01Å; I70-E72 VanDerWaalsContact C-N 3.31Å; I70-E72 PolarHBondContact O-N 3.05Å; E72-F75 WeakPolarHBondContact O-CB 3.37Å; E72-F75 PolarHBondContact O-N 3.32Å; E72-Q76 HydrophobicContact CG-CG 4.41Å; E72-Q76 VanDerWaalsContact O-CG 3.3Å; E72-Q76 WeakPolarHBondContact O-CG 3.07Å; E72-Q76 PolarHBondContact O-N 3.04Å; E72-Q76 PolarHBondContact OE1-NE2 3.07Å; E72-I110 HydrophobicContact CB-CD1 4.44Å; E72-I110 HydrophobicContact CB-CG1 4.32Å; E72-I110 HydrophobicContact CG-CD1 4.12Å; E72-I110 HydrophobicContact CG-CG1 4.45Å; E72-F221 HydrophobicContact CB-CD1 3.83Å; E72-F221 HydrophobicContact CB-CE1 3.57Å; E72-F221 HydrophobicContact CG-CD1 3.98Å; E72-F221 HydrophobicContact CG-CE1 3.96Å; E72-R222 VanDerWaalsContact CD-NE 3.29Å; E72-R222 VanDerWaalsContact OE1-CD 3.25Å; E72-R222 WeakPolarHBondContact OE1-CD 3.41Å; E72-R222 IonicContact OE1-NE 2.7Å; E72-R222 PolarHBondContact OE1-NE 3.46Å; E72-R222 IonicContact OE2-CZ 3.17Å; E72-R222 IonicContact OE2-NE 3.38Å; E72-R222 PolarHBondContact OE2-NE 2.92Å; E72-R222 IonicContact OE2-NH2 3.13Å; E72-R222 PolarHBondContact OE2-NH2 3.49Å; E72-R222 VanDerWaalsContact OE2-NH2 3.09Å
73	C	96.1	Very high	94	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-47.5	172.4	-179.6	0	0	0	0	112.5	G69 I70 F75 Q76 F77 W82 C84 F106 I110	G69-C73 VanDerWaalsContact O-CB 3.31Å; G69-C73 WeakPolarHBondContact O-CB 3.15Å; G69-C73 PolarHBondContact O-N 3.16Å; I70-C73 WeakPolarHBondContact O-CB 3.4Å; I70-C73 PolarHBondContact O-N 2.86Å; C73-F75 VanDerWaalsContact C-N 3.28Å; C73-F75 PolarHBondContact O-N 3.14Å; C73-Q76 PolarHBondContact O-N 3.34Å; C73-F77 WeakPolarHBondContact O-CB 3.19Å; C73-F77 WeakPolarHBondContact O-CD2 3.43Å; C73-F77 PolarHBondContact O-N 3.34Å; C73-W82 VanDerWaalsContact SG-CH2 3.5Å; C73-C84 HydrophobicContact CB-CB 3.98Å; C73-C84 WeakPolarHBondContact CB-SG 3.44Å; C73-C84 WeakPolarHBondContact SG-CB 3.46Å; C73-C84 CovalentContact SG-SG 2.03Å; C73-C84 PolarHBondContact SG-SG 2.01Å; C73-F106 HydrophobicContact CB-CE1 3.95Å; C73-I110 HydrophobicContact CB-CG2 4.12Å
74	Q	94.5	Very high	93.9	Very high	68 Å²	68	40.5 Å²	40.5	32%	0.318	19%	0.19	S	C	.	.	H	α-helix	trans	-60.5	-39.7	174	-70.3	174.4	-7.7	0	0	111.5	I70 N71 F77 R78 C84	I70-Q74 WeakPolarHBondContact O-CG 3Å; I70-Q74 PolarHBondContact O-N 2.95Å; N71-Q74 PolarHBondContact O-N 2.98Å; Q74-F77 PolarHBondContact O-N 2.91Å; Q74-R78 WeakPolarHBondContact O-CA 3.02Å; Q74-R78 WeakPolarHBondContact O-CB 3.28Å; Q74-R78 PolarHBondContact O-N 2.88Å; Q74-C84 HydrophobicContact CG-CB 3.93Å
75	F	96.2	Very high	93.2	Very high	50 Å²	50	36.4 Å²	36.4	22%	0.219	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-52.9	174.8	179	-93.8	0	0	0	111.2	N71 E72 C73 F77 R78 R222 Y226	N71-F75 WeakPolarHBondContact O-CB 3.48Å; N71-F75 PolarHBondContact O-N 2.9Å; E72-F75 WeakPolarHBondContact O-CB 3.37Å; E72-F75 PolarHBondContact O-N 3.32Å; C73-F75 VanDerWaalsContact C-N 3.28Å; C73-F75 PolarHBondContact O-N 3.14Å; F75-F77 PolarHBondContact O-N 3.38Å; F75-R78 VanDerWaalsContact CE1-NH1 3.33Å; F75-R78 VanDerWaalsContact CZ-NH1 3.34Å; F75-R78 WeakPolarHBondContact O-CD 3.49Å; F75-R78 VanDerWaalsContact O-CG 3.26Å; F75-R78 WeakPolarHBondContact O-CG 3.4Å; F75-R78 PolarHBondContact O-N 2.88Å; F75-R78 PolarHBondContact O-NH1 2.85Å; F75-R222 VanDerWaalsContact CD1-NE 3.31Å; F75-R222 VanDerWaalsContact CE1-CD 3.45Å; F75-R222 VanDerWaalsContact CE1-CZ 3.47Å; F75-R222 VanDerWaalsContact CE1-NE 3.33Å; F75-R222 VanDerWaalsContact CZ-NH1 3.26Å; F75-Y226 AromaticContact CE1-CE1 3.98Å; F75-Y226 HydrophobicContact CE1-CE1 3.98Å
76	Q	96.8	Very high	92.1	Very high	24 Å²	24	36.9 Å²	36.9	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-30.7	-177.4	-68.2	-60.4	-25.8	0	0	112.7	E72 C73 F106 K229	E72-Q76 HydrophobicContact CG-CG 4.41Å; E72-Q76 VanDerWaalsContact O-CG 3.3Å; E72-Q76 WeakPolarHBondContact O-CG 3.07Å; E72-Q76 PolarHBondContact O-N 3.04Å; E72-Q76 PolarHBondContact OE1-NE2 3.07Å; C73-Q76 PolarHBondContact O-N 3.34Å; Q76-F106 HydrophobicContact CB-CZ 4.15Å; Q76-F106 HydrophobicContact CG-CZ 4.08Å; Q76-K229 HydrophobicContact CB-CD 4.24Å; Q76-K229 HydrophobicContact CG-CB 4.47Å
77	F	94	Very high	90.9	Very high	12 Å²	12	37 Å²	37	5%	0.053	18%	0.179	C	C	.	.	H	α-helix	trans	-106.8	8.8	-176.7	-72.7	-93.7	0	0	0	114.9	C73 Q74 F75 N79 G80 W82 N83 F106 K229 Y232	C73-F77 WeakPolarHBondContact O-CB 3.19Å; C73-F77 WeakPolarHBondContact O-CD2 3.43Å; C73-F77 PolarHBondContact O-N 3.34Å; Q74-F77 PolarHBondContact O-N 2.91Å; F75-F77 PolarHBondContact O-N 3.38Å; F77-N79 PolarHBondContact O-N 2.89Å; F77-G80 PolarHBondContact O-N 3.44Å; F77-W82 HydrophobicContact CB-CE3 4.12Å; F77-W82 HydrophobicContact CB-CZ3 4.19Å; F77-W82 WeakPolarHBondContact CB-O 3.39Å; F77-W82 AromaticContact CD1-CE3 3.45Å; F77-W82 HydrophobicContact CD1-CE3 3.45Å; F77-W82 VanDerWaalsContact CD1-CE3 3.45Å; F77-W82 AromaticContact CD1-CZ3 3.66Å; F77-W82 HydrophobicContact CD1-CZ3 3.66Å; F77-W82 HydrophobicContact CD2-CE3 4.29Å; F77-W82 AromaticContact CD2-CZ3 3.68Å; F77-W82 HydrophobicContact CD2-CZ3 3.68Å; F77-W82 AromaticContact CE1-CE3 3.82Å; F77-W82 HydrophobicContact CE1-CE3 3.82Å; F77-W82 AromaticContact CE1-CZ3 3.84Å; F77-W82 HydrophobicContact CE1-CZ3 3.84Å; F77-W82 AromaticContact CE2-CZ3 3.89Å; F77-W82 HydrophobicContact CE2-CZ3 3.89Å; F77-W82 AromaticContact CG-CE3 3.69Å; F77-W82 HydrophobicContact CG-CE3 3.69Å; F77-W82 AromaticContact CG-CZ3 3.56Å; F77-W82 HydrophobicContact CG-CZ3 3.56Å; F77-W82 HydrophobicContact CZ-CE3 4.4Å; F77-W82 AromaticContact CZ-CZ3 3.95Å; F77-W82 HydrophobicContact CZ-CZ3 3.95Å; F77-N83 WeakPolarHBondContact O-CA 3.33Å; F77-F106 HydrophobicContact CD2-CD1 4.31Å; F77-F106 HydrophobicContact CD2-CE1 4.15Å; F77-F106 AromaticContact CE2-CD1 3.5Å; F77-F106 HydrophobicContact CE2-CD1 3.5Å; F77-F106 HydrophobicContact CE2-CD2 4.14Å; F77-F106 AromaticContact CE2-CE1 3.62Å; F77-F106 HydrophobicContact CE2-CE1 3.62Å; F77-F106 HydrophobicContact CE2-CE2 4.21Å; F77-F106 AromaticContact CE2-CG 3.79Å; F77-F106 HydrophobicContact CE2-CG 3.79Å; F77-F106 AromaticContact CE2-CZ 3.97Å; F77-F106 HydrophobicContact CE2-CZ 3.97Å; F77-F106 HydrophobicContact CZ-CD1 4.28Å; F77-F106 HydrophobicContact CZ-CG 4.19Å; F77-K229 HydrophobicContact CE2-CD 3.89Å; F77-K229 HydrophobicContact CZ-CD 3.92Å; F77-Y232 HydrophobicContact CE1-CD1 4.41Å; F77-Y232 AromaticContact CE1-CE1 3.88Å; F77-Y232 HydrophobicContact CE1-CE1 3.88Å; F77-Y232 AromaticContact CE1-CE2 3.95Å; F77-Y232 HydrophobicContact CE1-CE2 3.95Å; F77-Y232 AromaticContact CE1-CZ 3.62Å; F77-Y232 HydrophobicContact CZ-CD1 4.02Å; F77-Y232 AromaticContact CZ-CD2 3.86Å; F77-Y232 HydrophobicContact CZ-CD2 3.86Å; F77-Y232 AromaticContact CZ-CE1 3.94Å; F77-Y232 HydrophobicContact CZ-CE1 3.94Å; F77-Y232 AromaticContact CZ-CE2 3.73Å; F77-Y232 HydrophobicContact CZ-CE2 3.73Å; F77-Y232 AromaticContact CZ-CG 3.98Å; F77-Y232 HydrophobicContact CZ-CG 3.98Å; F77-Y232 AromaticContact CZ-CZ 3.79Å
78	R	91.3	Very high	89.2	Confident	121 Å²	121	35.5 Å²	35.5	46%	0.457	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-31.6	-177.9	67.1	-168.7	-179.4	-87.6	4.3	114.7	Q74 F75 R292	Q74-R78 WeakPolarHBondContact O-CA 3.02Å; Q74-R78 WeakPolarHBondContact O-CB 3.28Å; Q74-R78 PolarHBondContact O-N 2.88Å; F75-R78 VanDerWaalsContact CE1-NH1 3.33Å; F75-R78 VanDerWaalsContact CZ-NH1 3.34Å; F75-R78 WeakPolarHBondContact O-CD 3.49Å; F75-R78 VanDerWaalsContact O-CG 3.26Å; F75-R78 WeakPolarHBondContact O-CG 3.4Å; F75-R78 PolarHBondContact O-N 2.88Å; F75-R78 PolarHBondContact O-NH1 2.85Å; R78-R292 PolarHBondContact O-NH2 3.48Å
79	N	88.3	Confident	87.3	Confident	70 Å²	70	39.3 Å²	39.3	37%	0.374	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-2.1	-176.3	-72.6	-16.7	0	0	0	113.8	F77 S301 N302	F77-N79 PolarHBondContact O-N 2.89Å; N79-S301 CarbonylContact O-C 3.6Å; N79-S301 VanDerWaalsContact O-C 3.31Å; N79-S301 PolarHBondContact O-OG 3.28Å; N79-N302 HydrophobicContact CB-CB 3.96Å; N79-N302 PolarHBondContact O-N 3.28Å
80	G	90.1	Very high	85.4	Confident	15 Å²	15	50 Å²	50	16%	0.155	24%	0.24	C	C	.	.	S	Bend	trans	-95.9	161.1	179.6	0	0	0	0	0	112.5	F77 W82 R292	F77-G80 PolarHBondContact O-N 3.44Å; G80-W82 VanDerWaalsContact C-N 3.29Å; G80-W82 CarbonylContact C-O 3.42Å; G80-W82 PolarHBondContact O-N 3.17Å; G80-R292 VanDerWaalsContact O-CZ 3.26Å; G80-R292 PolarHBondContact O-NH1 3.35Å; G80-R292 PolarHBondContact O-NH2 2.82Å
81	R	92.1	Very high	84.1	Confident	86 Å²	86	51.7 Å²	51.7	33%	0.325	25%	0.25	S	S	.	.	S	Bend	trans	-61.6	-40	178.9	-67.3	176.8	-174.9	164.5	2.9	111.5	T289 R292 L306 M307	R81-T289 HydrophobicContact CB-CG2 3.97Å; R81-T289 HydrophobicContact CG-CG2 4.08Å; R81-R292 VanDerWaalsContact C-NH1 3.28Å; R81-R292 PolarHBondContact O-NH1 2.02Å; R81-L306 PolarHBondContact NE-O 3.39Å; R81-L306 PolarHBondContact NH2-O 3.37Å; R81-M307 HydrophobicContact CB-CE 4Å; R81-M307 HydrophobicContact CG-CE 3.47Å; R81-M307 VanDerWaalsContact CG-CE 3.47Å; R81-M307 VanDerWaalsContact N-CE 3.35Å
82	W	91.8	Very high	83.2	Confident	15 Å²	15	49.9 Å²	49.9	6%	0.057	24%	0.242	C	C	.	.	S	Bend	trans	-89.5	123	161.7	-177	83.5	0	0	0	108.5	C73 F77 G80 C84 L87 L97 E103 T107 Y277	C73-W82 VanDerWaalsContact SG-CH2 3.5Å; F77-W82 HydrophobicContact CB-CE3 4.12Å; F77-W82 HydrophobicContact CB-CZ3 4.19Å; F77-W82 WeakPolarHBondContact CB-O 3.39Å; F77-W82 AromaticContact CD1-CE3 3.45Å; F77-W82 HydrophobicContact CD1-CE3 3.45Å; F77-W82 VanDerWaalsContact CD1-CE3 3.45Å; F77-W82 AromaticContact CD1-CZ3 3.66Å; F77-W82 HydrophobicContact CD1-CZ3 3.66Å; F77-W82 HydrophobicContact CD2-CE3 4.29Å; F77-W82 AromaticContact CD2-CZ3 3.68Å; F77-W82 HydrophobicContact CD2-CZ3 3.68Å; F77-W82 AromaticContact CE1-CE3 3.82Å; F77-W82 HydrophobicContact CE1-CE3 3.82Å; F77-W82 AromaticContact CE1-CZ3 3.84Å; F77-W82 HydrophobicContact CE1-CZ3 3.84Å; F77-W82 AromaticContact CE2-CZ3 3.89Å; F77-W82 HydrophobicContact CE2-CZ3 3.89Å; F77-W82 AromaticContact CG-CE3 3.69Å; F77-W82 HydrophobicContact CG-CE3 3.69Å; F77-W82 AromaticContact CG-CZ3 3.56Å; F77-W82 HydrophobicContact CG-CZ3 3.56Å; F77-W82 HydrophobicContact CZ-CE3 4.4Å; F77-W82 AromaticContact CZ-CZ3 3.95Å; F77-W82 HydrophobicContact CZ-CZ3 3.95Å; G80-W82 VanDerWaalsContact C-N 3.29Å; G80-W82 CarbonylContact C-O 3.42Å; G80-W82 PolarHBondContact O-N 3.17Å; W82-C84 HydrophobicContact CH2-CB 3.76Å; W82-C84 HydrophobicContact CZ2-CB 4.02Å; W82-C84 HydrophobicContact CZ3-CB 4.09Å; W82-L87 HydrophobicContact CZ2-CD1 4.11Å; W82-L97 HydrophobicContact CZ2-CD1 3.84Å; W82-E103 HydrophobicContact CB-CG 4.36Å; W82-E103 HydrophobicContact CD2-CB 3.74Å; W82-E103 HydrophobicContact CD2-CG 3.69Å; W82-E103 HydrophobicContact CE3-CB 3.7Å; W82-E103 HydrophobicContact CE3-CG 3.56Å; W82-E103 HydrophobicContact CG-CB 4.42Å; W82-E103 HydrophobicContact CG-CG 4.06Å; W82-E103 HydrophobicContact CH2-CB 3.9Å; W82-E103 HydrophobicContact CZ2-CB 3.96Å; W82-E103 HydrophobicContact CZ3-CB 3.77Å; W82-E103 HydrophobicContact CZ3-CG 4.07Å; W82-T107 WeakPolarHBondContact CH2-OG1 2.96Å; W82-Y277 HydrophobicContact CB-CD1 3.99Å; W82-Y277 HydrophobicContact CB-CD2 3.77Å; W82-Y277 HydrophobicContact CB-CE1 4.08Å; W82-Y277 HydrophobicContact CB-CE2 3.85Å; W82-Y277 HydrophobicContact CB-CG 3.83Å; W82-Y277 AromaticContact CD1-CD1 3.9Å; W82-Y277 AromaticContact CD1-CE1 3.51Å; W82-Y277 AromaticContact CD1-CZ 3.9Å; W82-Y277 HydrophobicContact CG-CD1 4.32Å; W82-Y277 HydrophobicContact CG-CE1 4.03Å; W82-Y277 HydrophobicContact CG-CE2 4.36Å
83	N	90.6	Very high	82.2	Confident	39 Å²	39	50 Å²	50	21%	0.209	24%	0.242	C	C	.	.			trans	-120.1	18	-175.3	70.1	-12.9	0	0	0	113.3	F77 S85	F77-N83 WeakPolarHBondContact O-CA 3.33Å; N83-S85 PolarHBondContact O-N 3.49Å; N83-S85 VanDerWaalsContact O-N 3.1Å; N83-S85 WeakPolarHBondContact OD1-CB 3.38Å; N83-S85 PolarHBondContact OD1-N 2.77Å; N83-S85 PolarHBondContact OD1-OG 3.44Å
84	C	89.9	Confident	80.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	64.1	10.6	179.4	-153.7	0	0	0	0	115.2	C73 Q74 W82 A86 L87	C73-C84 HydrophobicContact CB-CB 3.98Å; C73-C84 WeakPolarHBondContact CB-SG 3.44Å; C73-C84 WeakPolarHBondContact SG-CB 3.46Å; C73-C84 CovalentContact SG-SG 2.03Å; C73-C84 PolarHBondContact SG-SG 2.01Å; Q74-C84 HydrophobicContact CG-CB 3.93Å; W82-C84 HydrophobicContact CH2-CB 3.76Å; W82-C84 HydrophobicContact CZ2-CB 4.02Å; W82-C84 HydrophobicContact CZ3-CB 4.09Å; C84-A86 VanDerWaalsContact C-N 3.3Å; C84-A86 PolarHBondContact O-N 3.43Å; C84-L87 PolarHBondContact O-N 2.94Å; C84-L87 WeakPolarHBondContact SG-CD1 3.47Å
85	S	80.6	Confident	79.7	Confident	34 Å²	34	52.9 Å²	52.9	24%	0.238	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-64.2	-34.6	179.9	61.2	0	0	0	0	113	N83 L87 G88	N83-S85 PolarHBondContact O-N 3.49Å; N83-S85 VanDerWaalsContact O-N 3.1Å; N83-S85 WeakPolarHBondContact OD1-CB 3.38Å; N83-S85 PolarHBondContact OD1-N 2.77Å; N83-S85 PolarHBondContact OD1-OG 3.44Å; S85-L87 PolarHBondContact O-N 3.1Å; S85-G88 PolarHBondContact O-N 3.5Å; S85-G88 VanDerWaalsContact O-N 3.16Å
86	A	72.9	Confident	78.7	Confident	10 Å²	10	54.8 Å²	54.8	8%	0.083	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-57.7	-16.1	-179.8	0	0	0	0	0	113.1	C84 K95 V287	C84-A86 VanDerWaalsContact C-N 3.3Å; C84-A86 PolarHBondContact O-N 3.43Å; A86-K95 WeakPolarHBondContact O-CD 3.4Å; A86-K95 WeakPolarHBondContact O-CE 3.26Å; A86-K95 PolarHBondContact O-NZ 3.44Å; A86-V287 HydrophobicContact CB-CG1 4.5Å
87	L	69.9	Low	78.1	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-94.4	-10.1	-176.6	-67	158.9	0	0	0	114.3	W82 C84 S85 T107	W82-L87 HydrophobicContact CZ2-CD1 4.11Å; C84-L87 PolarHBondContact O-N 2.94Å; C84-L87 WeakPolarHBondContact SG-CD1 3.47Å; S85-L87 PolarHBondContact O-N 3.1Å; L87-T107 HydrophobicContact CD1-CG2 3.38Å; L87-T107 HydrophobicContact CD2-CG2 4.15Å; L87-T107 HydrophobicContact CG-CG2 4.4Å
88	G	57.8	Low	77.6	Confident	38 Å²	38	60.9 Å²	60.9	39%	0.392	30%	0.302	S	S	.	.	S	Bend	trans	-107.9	-6.7	-169.2	0	0	0	0	0	117.5	S85 R90	S85-G88 PolarHBondContact O-N 3.5Å; S85-G88 VanDerWaalsContact O-N 3.16Å; G88-R90 PolarHBondContact O-N 2.84Å
89	E	57.7	Low	77.5	Confident	141 Å²	141	56.1 Å²	56.1	66%	0.659	29%	0.286	S	S	*	.	S	Bend	trans	-80.1	-14.6	-162.7	-95.3	178.9	164.2	0	0	117	K95	E89-K95 IonicContact OE2-NZ 2.78Å
90	R	55.5	Low	77.8	Confident	226 Å²	226	52.8 Å²	52.8	85%	0.853	27%	0.268	S	S	*	.	S	Bend	trans	-143.3	-41	-176	-63.6	-171.4	-178	-169.4	-0.9	115	G88	G88-R90 PolarHBondContact O-N 2.84Å
91	T	67.5	Low	78.1	Confident	39 Å²	39	52.1 Å²	52.1	24%	0.239	26%	0.261	C	S	.	.			trans	-154.6	137.7	-176.4	54.8	0	0	0	0	110.9	P42 F93	P42-T91 HydrophobicContact CB-CG2 3.69Å; P42-T91 HydrophobicContact CG-CG2 3.36Å; T91-F93 VanDerWaalsContact CB-O 3.28Å; T91-F93 WeakPolarHBondContact CB-O 3.39Å; T91-F93 PolarHBondContact O-N 3.49Å; T91-F93 PolarHBondContact OG1-O 2.86Å
92	V	76.9	Confident	78.3	Confident	43 Å²	43	52 Å²	52	26%	0.261	26%	0.261	S	S	.	.	S	Bend	trans	-67	-19.4	171.5	-63.9	0	0	0	0	112.4	Q67 I70	Q67-V92 HydrophobicContact CB-CG1 4.26Å; I70-V92 HydrophobicContact CD1-CB 4.39Å; I70-V92 HydrophobicContact CD1-CG1 4.26Å
93	F	76.2	Confident	78.4	Confident	10 Å²	10	51.7 Å²	51.7	4%	0.044	26%	0.26	C	S	.	.	S	Bend	trans	-106.3	143.1	176.9	-54.2	-57.9	0	0	0	111.1	I41 G43 L44 I59 I62 T91 K95 F166	I41-F93 HydrophobicContact CG2-CD2 3.72Å; I41-F93 HydrophobicContact CG2-CE2 4.07Å; G43-F93 WeakPolarHBondContact CA-O 3.23Å; L44-F93 HydrophobicContact CD2-CB 4.07Å; L44-F93 HydrophobicContact CD2-CD1 4.09Å; L44-F93 HydrophobicContact CD2-CD2 3.74Å; L44-F93 HydrophobicContact CD2-CE2 4.18Å; L44-F93 HydrophobicContact CD2-CG 3.69Å; L44-F93 HydrophobicContact CG-CD2 4.35Å; I59-F93 HydrophobicContact CD1-CE2 4.39Å; I59-F93 HydrophobicContact CD1-CZ 4.21Å; I62-F93 HydrophobicContact CG2-CE1 3.87Å; I62-F93 HydrophobicContact CG2-CZ 4.04Å; T91-F93 VanDerWaalsContact CB-O 3.28Å; T91-F93 WeakPolarHBondContact CB-O 3.39Å; T91-F93 PolarHBondContact O-N 3.49Å; T91-F93 PolarHBondContact OG1-O 2.86Å; F93-K95 PolarHBondContact O-N 3.3Å; F93-F166 HydrophobicContact CD1-CE1 4.35Å; F93-F166 AromaticContact CE1-CE1 3.92Å; F93-F166 HydrophobicContact CE1-CE1 3.92Å; F93-F166 HydrophobicContact CE1-CZ 4.13Å; F93-F166 HydrophobicContact CZ-CZ 4.5Å
94	G	66.9	Low	78.7	Confident	40 Å²	40	49.8 Å²	49.8	41%	0.412	25%	0.25	S	C	.	.	S	Bend	trans	86.6	-9.5	166	0	0	0	0	0	118.3	G43	G43-G94 WeakPolarHBondContact O-CA 2.97Å; G43-G94 PolarHBondContact O-N 3.43Å
95	K	71.2	Confident	79	Confident	90 Å²	90	49.8 Å²	49.8	39%	0.391	25%	0.25	S	C	.	.			trans	-89.4	116.6	171	-159.7	158.4	-178	-163.9	0	110	A86 E89 F93	A86-K95 WeakPolarHBondContact O-CD 3.4Å; A86-K95 WeakPolarHBondContact O-CE 3.26Å; A86-K95 PolarHBondContact O-NZ 3.44Å; E89-K95 IonicContact OE2-NZ 2.78Å; F93-K95 PolarHBondContact O-N 3.3Å
96	E	75.8	Confident	79.8	Confident	91 Å²	91	48.2 Å²	48.2	43%	0.425	24%	0.238	S	C	.	.			trans	-119.3	140.6	-179.2	-67.3	175.5	-169.6	0	0	109.9	K98 Y108 R170	E96-K98 PolarHBondContact O-N 3Å; E96-Y108 WeakPolarHBondContact CG-OH 3.28Å; E96-R170 VanDerWaalsContact OE1-CD 3.28Å; E96-R170 WeakPolarHBondContact OE1-CD 3.24Å; E96-R170 IonicContact OE1-NH1 3.68Å
97	L	83.4	Confident	80.9	Confident	16 Å²	16	48.1 Å²	48.1	8%	0.084	24%	0.237	C	C	.	.			trans	-65.7	127.9	167.6	-70	171.1	0	0	0	108.8	W82 E103 A104 R177	W82-L97 HydrophobicContact CZ2-CD1 3.84Å; L97-E103 HydrophobicContact CD1-CB 4.43Å; L97-A104 HydrophobicContact CB-CB 4.08Å; L97-A104 HydrophobicContact CD1-CB 3.98Å; L97-R177 PolarHBondContact O-NH2 3.07Å
98	K	82.4	Confident	82.2	Confident	147 Å²	147	48.6 Å²	48.6	64%	0.639	24%	0.238	S	C	*	.	S	Bend	trans	-67.3	-41.7	-177.4	-70.2	171.2	176.7	175.1	0	111.6	E96 P282 V283	E96-K98 PolarHBondContact O-N 3Å; K98-P282 PolarHBondContact NZ-O 3.31Å; K98-V283 WeakPolarHBondContact CD-O 3.27Å
99	V	90.4	Very high	84.2	Confident	21 Å²	21	46.8 Å²	46.8	13%	0.127	22%	0.22	C	C	.	.	S	Bend	trans	-79.9	134.9	-178.6	-173.7	0	0	0	0	110.6	S101 A104 R177 E272 T284	V99-S101 PolarHBondContact O-N 3.17Å; V99-A104 WeakPolarHBondContact O-CB 3.17Å; V99-R177 PolarHBondContact O-NH2 3.37Å; V99-E272 HydrophobicContact CG1-CB 3.84Å; V99-T284 HydrophobicContact CG2-CG2 4.03Å
100	G	94.1	Very high	86.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.188	C	C	.	.			trans	-76.3	52.6	172.4	0	0	0	0	0	113.2	I271 E272	G100-I271 PolarHBondContact O-N 2.88Å; G100-E272 PolarHBondContact N-OE2 3.03Å; G100-E272 PolarHBondContact O-N 3.27Å
101	S	95.6	Very high	88.1	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	16%	0.155	C	C	.	.			trans	-86.1	176.5	-175.3	74.5	0	0	0	0	113.7	V99 E103 A104 A105 E272	V99-S101 PolarHBondContact O-N 3.17Å; S101-E103 VanDerWaalsContact C-N 3.28Å; S101-E103 WeakPolarHBondContact CB-OE2 3.15Å; S101-E103 PolarHBondContact O-N 3.26Å; S101-E103 PolarHBondContact OG-N 3.47Å; S101-E103 PolarHBondContact OG-OE2 3.39Å; S101-A104 WeakPolarHBondContact O-CB 3.3Å; S101-A104 PolarHBondContact O-N 2.68Å; S101-A104 PolarHBondContact OG-N 2.95Å; S101-A105 PolarHBondContact O-N 3.04Å; S101-E272 WeakPolarHBondContact CA-O 3.02Å
102	R	96.6	Very high	89.6	Confident	84 Å²	84	28.9 Å²	28.9	32%	0.317	14%	0.143	S	C	.	.	H	α-helix	trans	-60.5	-37.7	172.5	-71.4	-173.7	-67.5	173.9	-1.6	112.4	A104 A105 F106 Y232 A235 Y270	R102-A104 VanDerWaalsContact C-N 3.29Å; R102-A104 PolarHBondContact O-N 3.1Å; R102-A105 WeakPolarHBondContact O-CB 3.37Å; R102-A105 PolarHBondContact O-N 3Å; R102-A105 VanDerWaalsContact O-N 3.17Å; R102-F106 PolarHBondContact O-N 2.93Å; R102-Y232 HydrophobicContact CB-CD2 4.01Å; R102-Y232 HydrophobicContact CB-CE2 3.51Å; R102-Y232 WeakPolarHBondContact O-CD2 3.06Å; R102-A235 HydrophobicContact CG-CB 4.16Å; R102-Y270 HydrophobicContact CG-CD1 3.32Å; R102-Y270 HydrophobicContact CG-CD2 4.22Å; R102-Y270 HydrophobicContact CG-CE1 3.51Å; R102-Y270 HydrophobicContact CG-CE2 4.38Å; R102-Y270 HydrophobicContact CG-CG 3.67Å
103	E	95.3	Very high	90.6	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-36	179.3	-58.4	77	-158.3	0	0	110.8	W82 L97 S101 T107 Y232 S274 Y277	W82-E103 HydrophobicContact CB-CG 4.36Å; W82-E103 HydrophobicContact CD2-CB 3.74Å; W82-E103 HydrophobicContact CD2-CG 3.69Å; W82-E103 HydrophobicContact CE3-CB 3.7Å; W82-E103 HydrophobicContact CE3-CG 3.56Å; W82-E103 HydrophobicContact CG-CB 4.42Å; W82-E103 HydrophobicContact CG-CG 4.06Å; W82-E103 HydrophobicContact CH2-CB 3.9Å; W82-E103 HydrophobicContact CZ2-CB 3.96Å; W82-E103 HydrophobicContact CZ3-CB 3.77Å; W82-E103 HydrophobicContact CZ3-CG 4.07Å; L97-E103 HydrophobicContact CD1-CB 4.43Å; S101-E103 VanDerWaalsContact C-N 3.28Å; S101-E103 WeakPolarHBondContact CB-OE2 3.15Å; S101-E103 PolarHBondContact O-N 3.26Å; S101-E103 PolarHBondContact OG-N 3.47Å; S101-E103 PolarHBondContact OG-OE2 3.39Å; E103-T107 WeakPolarHBondContact O-CB 3.43Å; E103-T107 PolarHBondContact O-N 3.06Å; E103-T107 PolarHBondContact O-OG1 3.12Å; E103-Y232 HydrophobicContact CG-CE2 4.18Å; E103-Y232 PolarHBondContact OE1-OH 3.35Å; E103-Y232 VanDerWaalsContact OE1-OH 3.1Å; E103-S274 VanDerWaalsContact CD-OG 3.28Å; E103-S274 WeakPolarHBondContact OE1-CB 3.22Å; E103-S274 PolarHBondContact OE1-OG 3.43Å; E103-S274 WeakPolarHBondContact OE2-CB 3.38Å; E103-S274 PolarHBondContact OE2-OG 2.66Å; E103-Y277 HydrophobicContact CG-CE2 4.15Å; E103-Y277 PolarHBondContact OE2-OH 3.08Å
104	A	95.3	Very high	91.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-48.1	169.2	0	0	0	0	0	111.5	L97 V99 S101 R102 F106 T107 Y108	L97-A104 HydrophobicContact CB-CB 4.08Å; L97-A104 HydrophobicContact CD1-CB 3.98Å; V99-A104 WeakPolarHBondContact O-CB 3.17Å; S101-A104 WeakPolarHBondContact O-CB 3.3Å; S101-A104 PolarHBondContact O-N 2.68Å; S101-A104 PolarHBondContact OG-N 2.95Å; R102-A104 VanDerWaalsContact C-N 3.29Å; R102-A104 PolarHBondContact O-N 3.1Å; A104-F106 VanDerWaalsContact C-N 3.31Å; A104-F106 PolarHBondContact O-N 2.78Å; A104-T107 WeakPolarHBondContact O-CB 3.34Å; A104-T107 PolarHBondContact O-N 3.47Å; A104-Y108 VanDerWaalsContact O-CD2 3.28Å; A104-Y108 WeakPolarHBondContact O-CD2 3.32Å; A104-Y108 PolarHBondContact O-N 3.02Å
105	A	97.6	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-53.1	-48.1	179.1	0	0	0	0	0	112.4	S101 R102 A109 N184 L268 V269	S101-A105 PolarHBondContact O-N 3.04Å; R102-A105 WeakPolarHBondContact O-CB 3.37Å; R102-A105 PolarHBondContact O-N 3Å; R102-A105 VanDerWaalsContact O-N 3.17Å; A105-A109 PolarHBondContact O-N 3.46Å; A105-N184 WeakPolarHBondContact CA-ND2 3.26Å; A105-N184 WeakPolarHBondContact CB-ND2 3.27Å; A105-L268 HydrophobicContact CB-CB 4.29Å; A105-V269 VanDerWaalsContact CB-O 3.25Å; A105-V269 WeakPolarHBondContact CB-O 3.42Å
106	F	97.9	Very high	94.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-44.3	175.6	-179.8	-85.4	0	0	0	112.6	C73 Q76 F77 R102 A104 Y108 A109 I110 L228 K229 Y232 L268	C73-F106 HydrophobicContact CB-CE1 3.95Å; Q76-F106 HydrophobicContact CB-CZ 4.15Å; Q76-F106 HydrophobicContact CG-CZ 4.08Å; F77-F106 HydrophobicContact CD2-CD1 4.31Å; F77-F106 HydrophobicContact CD2-CE1 4.15Å; F77-F106 AromaticContact CE2-CD1 3.5Å; F77-F106 HydrophobicContact CE2-CD1 3.5Å; F77-F106 HydrophobicContact CE2-CD2 4.14Å; F77-F106 AromaticContact CE2-CE1 3.62Å; F77-F106 HydrophobicContact CE2-CE1 3.62Å; F77-F106 HydrophobicContact CE2-CE2 4.21Å; F77-F106 AromaticContact CE2-CG 3.79Å; F77-F106 HydrophobicContact CE2-CG 3.79Å; F77-F106 AromaticContact CE2-CZ 3.97Å; F77-F106 HydrophobicContact CE2-CZ 3.97Å; F77-F106 HydrophobicContact CZ-CD1 4.28Å; F77-F106 HydrophobicContact CZ-CG 4.19Å; R102-F106 PolarHBondContact O-N 2.93Å; A104-F106 VanDerWaalsContact C-N 3.31Å; A104-F106 PolarHBondContact O-N 2.78Å; F106-Y108 PolarHBondContact O-N 3.05Å; F106-A109 PolarHBondContact O-N 3.28Å; F106-I110 HydrophobicContact CD1-CB 4.46Å; F106-I110 HydrophobicContact CD1-CG2 4.06Å; F106-I110 HydrophobicContact CE1-CB 3.99Å; F106-I110 HydrophobicContact CE1-CG1 4.35Å; F106-I110 HydrophobicContact CE1-CG2 3.77Å; F106-I110 HydrophobicContact CZ-CB 4.25Å; F106-I110 HydrophobicContact CZ-CG1 4.38Å; F106-I110 WeakPolarHBondContact O-CG2 3.43Å; F106-I110 PolarHBondContact O-N 2.86Å; F106-L228 HydrophobicContact CD2-CB 4.17Å; F106-L228 WeakPolarHBondContact CD2-O 3.32Å; F106-L228 HydrophobicContact CE2-CB 3.66Å; F106-L228 HydrophobicContact CZ-CB 4.45Å; F106-K229 HydrophobicContact CE2-CB 4.21Å; F106-Y232 HydrophobicContact CB-CD2 3.8Å; F106-Y232 HydrophobicContact CB-CG 4.4Å; F106-Y232 HydrophobicContact CD2-CG 4.47Å; F106-L268 HydrophobicContact CB-CD1 4.36Å; F106-L268 HydrophobicContact CD2-CD1 4.44Å
107	T	95.9	Very high	95.5	Very high	8 Å²	8	16.8 Å²	16.8	5%	0.049	8%	0.075	C	C	.	.	H	α-helix	trans	-58.4	-47.7	-179.8	-61	0	0	0	0	112	W82 L87 E103 A104 A109 I110 I111	W82-T107 WeakPolarHBondContact CH2-OG1 2.96Å; L87-T107 HydrophobicContact CD1-CG2 3.38Å; L87-T107 HydrophobicContact CD2-CG2 4.15Å; L87-T107 HydrophobicContact CG-CG2 4.4Å; E103-T107 WeakPolarHBondContact O-CB 3.43Å; E103-T107 PolarHBondContact O-N 3.06Å; E103-T107 PolarHBondContact O-OG1 3.12Å; A104-T107 WeakPolarHBondContact O-CB 3.34Å; A104-T107 PolarHBondContact O-N 3.47Å; T107-A109 VanDerWaalsContact C-N 3.35Å; T107-I110 WeakPolarHBondContact O-CG2 3.49Å; T107-I111 HydrophobicContact CG2-CD1 3.62Å; T107-I111 HydrophobicContact CG2-CG1 4.45Å; T107-I111 WeakPolarHBondContact O-CB 3.48Å; T107-I111 VanDerWaalsContact O-CG1 3.26Å; T107-I111 WeakPolarHBondContact O-CG1 3.48Å; T107-I111 PolarHBondContact O-N 3.02Å; T107-I111 VanDerWaalsContact O-N 3.1Å
108	Y	97.1	Very high	96.3	Very high	18 Å²	18	16.4 Å²	16.4	7%	0.071	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-44.5	178.5	-83.9	-87.8	0	0	0	110.8	E96 A104 F106 A112 N181 N185	E96-Y108 WeakPolarHBondContact CG-OH 3.28Å; A104-Y108 VanDerWaalsContact O-CD2 3.28Å; A104-Y108 WeakPolarHBondContact O-CD2 3.32Å; A104-Y108 PolarHBondContact O-N 3.02Å; F106-Y108 PolarHBondContact O-N 3.05Å; Y108-A112 VanDerWaalsContact O-CB 3.25Å; Y108-A112 WeakPolarHBondContact O-CB 3.4Å; Y108-A112 PolarHBondContact O-N 2.93Å; Y108-N181 HydrophobicContact CD1-CB 3.88Å; Y108-N181 HydrophobicContact CE1-CB 3.71Å; Y108-N181 VanDerWaalsContact CE1-CG 3.49Å; Y108-N181 WeakPolarHBondContact CE1-ND2 3.46Å; Y108-N181 HydrophobicContact CG-CB 4.44Å; Y108-N181 VanDerWaalsContact CZ-CG 3.41Å; Y108-N181 VanDerWaalsContact CZ-ND2 3.27Å; Y108-N181 PolarHBondContact OH-ND2 2.89Å; Y108-N181 VanDerWaalsContact OH-ND2 3.08Å; Y108-N185 WeakPolarHBondContact CB-OD1 3.17Å; Y108-N185 VanDerWaalsContact CD1-OD1 3.32Å; Y108-N185 WeakPolarHBondContact CD1-OD1 3.37Å; Y108-N185 PolarHBondContact O-OD1 3.49Å
109	A	98.5	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.4	-50.6	179	0	0	0	0	0	113.3	A105 F106 T107 I111 A112 A113 N184 G188 L228 L268	A105-A109 PolarHBondContact O-N 3.46Å; F106-A109 PolarHBondContact O-N 3.28Å; T107-A109 VanDerWaalsContact C-N 3.35Å; A109-I111 PolarHBondContact O-N 3Å; A109-A112 PolarHBondContact O-N 3.2Å; A109-A113 VanDerWaalsContact O-CB 3.28Å; A109-A113 WeakPolarHBondContact O-CB 3.15Å; A109-A113 PolarHBondContact O-N 3.49Å; A109-N184 VanDerWaalsContact CA-O 3.23Å; A109-N184 WeakPolarHBondContact CA-O 3.36Å; A109-N184 VanDerWaalsContact CB-O 3.27Å; A109-N184 WeakPolarHBondContact CB-O 3.39Å; A109-G188 WeakPolarHBondContact O-CA 3.31Å; A109-L228 HydrophobicContact CB-CD2 3.82Å; A109-L268 HydrophobicContact CB-CD2 3.53Å
110	I	98.3	Very high	97.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.4	-34.2	-176.8	-166.1	65.6	0	0	0	112.2	E72 C73 F106 T107 G114 F221 L228	E72-I110 HydrophobicContact CB-CD1 4.44Å; E72-I110 HydrophobicContact CB-CG1 4.32Å; E72-I110 HydrophobicContact CG-CD1 4.12Å; E72-I110 HydrophobicContact CG-CG1 4.45Å; C73-I110 HydrophobicContact CB-CG2 4.12Å; F106-I110 HydrophobicContact CD1-CB 4.46Å; F106-I110 HydrophobicContact CD1-CG2 4.06Å; F106-I110 HydrophobicContact CE1-CB 3.99Å; F106-I110 HydrophobicContact CE1-CG1 4.35Å; F106-I110 HydrophobicContact CE1-CG2 3.77Å; F106-I110 HydrophobicContact CZ-CB 4.25Å; F106-I110 HydrophobicContact CZ-CG1 4.38Å; F106-I110 WeakPolarHBondContact O-CG2 3.43Å; F106-I110 PolarHBondContact O-N 2.86Å; T107-I110 WeakPolarHBondContact O-CG2 3.49Å; I110-G114 PolarHBondContact O-N 2.99Å; I110-F221 HydrophobicContact CD1-CE1 3.83Å; I110-F221 HydrophobicContact CD1-CZ 3.67Å; I110-F221 HydrophobicContact CG1-CE1 4.16Å; I110-F221 HydrophobicContact CG1-CZ 4.08Å; I110-L228 HydrophobicContact CB-CD1 4.16Å; I110-L228 HydrophobicContact CD1-CD1 3.45Å; I110-L228 VanDerWaalsContact CD1-CD1 3.45Å; I110-L228 HydrophobicContact CG1-CD1 4.4Å
111	I	96.9	Very high	97.6	Very high	29 Å²	29	9.3 Å²	9.3	15%	0.149	5%	0.045	C	C	.	.	H	α-helix	trans	-71.2	-44.8	175.8	-68.1	174.4	0	0	0	110.4	I70 T107 A109 A113 G114 V115	I70-I111 HydrophobicContact CG1-CD1 4.17Å; I70-I111 HydrophobicContact CG1-CG1 4.44Å; T107-I111 HydrophobicContact CG2-CD1 3.62Å; T107-I111 HydrophobicContact CG2-CG1 4.45Å; T107-I111 WeakPolarHBondContact O-CB 3.48Å; T107-I111 VanDerWaalsContact O-CG1 3.26Å; T107-I111 WeakPolarHBondContact O-CG1 3.48Å; T107-I111 PolarHBondContact O-N 3.02Å; T107-I111 VanDerWaalsContact O-N 3.1Å; A109-I111 PolarHBondContact O-N 3Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 3.46Å; I111-G114 PolarHBondContact O-N 3.45Å; I111-V115 WeakPolarHBondContact O-CG2 3.48Å; I111-V115 PolarHBondContact O-N 3.45Å
112	A	98.3	Very high	97.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.3	-41.3	176.9	0	0	0	0	0	111.8	Y108 A109 A116 V167 N185 R189	Y108-A112 VanDerWaalsContact O-CB 3.25Å; Y108-A112 WeakPolarHBondContact O-CB 3.4Å; Y108-A112 PolarHBondContact O-N 2.93Å; A109-A112 PolarHBondContact O-N 3.2Å; A112-A116 PolarHBondContact O-N 3.26Å; A112-A116 VanDerWaalsContact O-N 3.09Å; A112-V167 HydrophobicContact CB-CG1 4.26Å; A112-N185 HydrophobicContact CB-CB 3.92Å; A112-N185 WeakPolarHBondContact CB-O 3.23Å; A112-R189 HydrophobicContact CB-CG 4.29Å
113	A	98.6	Very high	97.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-64.4	-43	173.1	0	0	0	0	0	112.2	A109 I111 V115 A116 H117 G188 F221 L224 L228	A109-A113 VanDerWaalsContact O-CB 3.28Å; A109-A113 WeakPolarHBondContact O-CB 3.15Å; A109-A113 PolarHBondContact O-N 3.49Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 3.46Å; A113-V115 PolarHBondContact O-N 3.41Å; A113-A116 PolarHBondContact O-N 3.39Å; A113-H117 WeakPolarHBondContact O-CB 3.48Å; A113-H117 PolarHBondContact O-N 3.33Å; A113-G188 WeakPolarHBondContact CB-O 3.48Å; A113-F221 HydrophobicContact CB-CE2 4.49Å; A113-L224 HydrophobicContact CB-CD2 3.79Å; A113-L228 HydrophobicContact CB-CD1 4.44Å
114	G	98.4	Very high	97.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.8	-42.9	177.5	0	0	0	0	0	113	G65 I110 I111 H117 A118 F221	G65-G114 VanDerWaalsContact CA-O 3.27Å; G65-G114 WeakPolarHBondContact CA-O 3.07Å; G65-G114 CarbonylContact O-C 3.6Å; G65-G114 WeakPolarHBondContact O-CA 3.49Å; I110-G114 PolarHBondContact O-N 2.99Å; I111-G114 PolarHBondContact O-N 3.45Å; G114-H117 PolarHBondContact O-N 3.3Å; G114-A118 WeakPolarHBondContact O-CB 3.3Å; G114-A118 PolarHBondContact O-N 3.29Å; G114-F221 VanDerWaalsContact CA-CE2 3.46Å; G114-F221 VanDerWaalsContact CA-CZ 3.49Å
115	V	98.4	Very high	97.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.1	-46.2	175.1	175.9	0	0	0	0	111.3	I62 S66 I111 A113 H117 A118 I119 A163 V167	I62-V115 HydrophobicContact CB-CG1 4.49Å; I62-V115 HydrophobicContact CG1-CG1 4.16Å; I62-V115 HydrophobicContact CG2-CG1 4.15Å; I62-V115 HydrophobicContact CG2-CG2 4.35Å; S66-V115 WeakPolarHBondContact OG-CG2 3.38Å; I111-V115 WeakPolarHBondContact O-CG2 3.48Å; I111-V115 PolarHBondContact O-N 3.45Å; A113-V115 PolarHBondContact O-N 3.41Å; V115-H117 VanDerWaalsContact C-N 3.34Å; V115-H117 PolarHBondContact O-N 3.18Å; V115-A118 PolarHBondContact O-N 3.5Å; V115-I119 HydrophobicContact CG1-CD1 3.76Å; V115-I119 HydrophobicContact CG1-CG1 4.42Å; V115-I119 VanDerWaalsContact O-CG1 3.28Å; V115-I119 WeakPolarHBondContact O-CG1 3.38Å; V115-I119 PolarHBondContact O-N 3.42Å; V115-A163 HydrophobicContact CB-CB 4.31Å; V115-A163 HydrophobicContact CG1-CB 3.85Å; V115-V167 HydrophobicContact CB-CG2 3.98Å; V115-V167 HydrophobicContact CG1-CG2 3.98Å; V115-V167 HydrophobicContact CG2-CG2 3.99Å
116	A	98.7	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-40.2	177.6	0	0	0	0	0	112.3	A112 A113 T120 I160 A163 R189 L192	A112-A116 PolarHBondContact O-N 3.26Å; A112-A116 VanDerWaalsContact O-N 3.09Å; A113-A116 PolarHBondContact O-N 3.39Å; A116-T120 WeakPolarHBondContact O-CB 3.42Å; A116-T120 PolarHBondContact O-N 2.88Å; A116-T120 PolarHBondContact O-OG1 2.76Å; A116-I160 HydrophobicContact CB-CG1 4.2Å; A116-A163 HydrophobicContact CB-CB 3.69Å; A116-R189 HydrophobicContact CB-CG 4.27Å; A116-L192 HydrophobicContact CB-CD2 3.71Å
117	H	98.7	Very high	97.5	Very high	21 Å²	21	21.9 Å²	21.9	10%	0.097	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-51.2	176.6	-174	-73.8	0	0	0	111.2	A113 G114 V115 I119 T120 A121 L192 L218 P219 F221	A113-H117 WeakPolarHBondContact O-CB 3.48Å; A113-H117 PolarHBondContact O-N 3.33Å; G114-H117 PolarHBondContact O-N 3.3Å; V115-H117 VanDerWaalsContact C-N 3.34Å; V115-H117 PolarHBondContact O-N 3.18Å; H117-I119 PolarHBondContact O-N 3.08Å; H117-T120 PolarHBondContact O-N 3.15Å; H117-A121 WeakPolarHBondContact O-CB 3.41Å; H117-A121 PolarHBondContact O-N 3.45Å; H117-L192 HydrophobicContact CB-CD1 4.44Å; H117-L192 HydrophobicContact CB-CD2 4.03Å; H117-L218 WeakPolarHBondContact O-CD1 3.36Å; H117-P219 PolarHBondContact NE2-O 3.02Å; H117-F221 HydrophobicContact CB-CD2 4.17Å; H117-F221 HydrophobicContact CB-CE2 4.22Å; H117-F221 AromaticContact CD2-CD2 3.9Å; H117-F221 AromaticContact CG-CD2 3.93Å
118	A	98.4	Very high	97.5	Very high	8 Å²	8	21.9 Å²	21.9	7%	0.066	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-43.6	-179.7	0	0	0	0	0	112.8	V61 G65 G114 V115 A121 A122	V61-A118 HydrophobicContact CG1-CB 4.05Å; V61-A118 WeakPolarHBondContact CG1-O 3.25Å; G65-A118 VanDerWaalsContact CA-CB 3.43Å; G114-A118 WeakPolarHBondContact O-CB 3.3Å; G114-A118 PolarHBondContact O-N 3.29Å; V115-A118 PolarHBondContact O-N 3.5Å; A118-A121 PolarHBondContact O-N 3.33Å; A118-A122 WeakPolarHBondContact O-CB 3.04Å; A118-A122 PolarHBondContact O-N 2.88Å
119	I	98.4	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-47.9	176.4	-67.1	170.7	0	0	0	110.3	V61 I62 V115 H117 A121 A122 C123 L128 Y158 F162 A163	V61-I119 HydrophobicContact CG1-CG1 4.18Å; I62-I119 HydrophobicContact CG1-CD1 4.02Å; I62-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 HydrophobicContact CG1-CD1 3.76Å; V115-I119 HydrophobicContact CG1-CG1 4.42Å; V115-I119 VanDerWaalsContact O-CG1 3.28Å; V115-I119 WeakPolarHBondContact O-CG1 3.38Å; V115-I119 PolarHBondContact O-N 3.42Å; H117-I119 PolarHBondContact O-N 3.08Å; I119-A121 VanDerWaalsContact C-N 3.31Å; I119-A121 PolarHBondContact O-N 3.11Å; I119-A122 PolarHBondContact O-N 3Å; I119-C123 PolarHBondContact O-N 3.41Å; I119-C123 PolarHBondContact O-SG 3.19Å; I119-L128 HydrophobicContact CG2-CD2 3.98Å; I119-Y158 HydrophobicContact CG2-CD1 4.17Å; I119-Y158 HydrophobicContact CG2-CE1 4.1Å; I119-F162 HydrophobicContact CD1-CB 4.02Å; I119-F162 HydrophobicContact CD1-CD1 4.3Å; I119-F162 HydrophobicContact CD1-CD2 4.48Å; I119-F162 HydrophobicContact CD1-CG 4.01Å; I119-F162 HydrophobicContact CG2-CB 4.35Å; I119-F162 HydrophobicContact CG2-CD1 4.23Å; I119-A163 HydrophobicContact CD1-CB 4.4Å
120	T	98.4	Very high	96.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-43.5	178.9	-53.9	0	0	0	0	111	A116 H117 C123 T124 A154 I156 G159 L218	A116-T120 WeakPolarHBondContact O-CB 3.42Å; A116-T120 PolarHBondContact O-N 2.88Å; A116-T120 PolarHBondContact O-OG1 2.76Å; H117-T120 PolarHBondContact O-N 3.15Å; T120-C123 PolarHBondContact O-N 3.41Å; T120-T124 WeakPolarHBondContact O-CG2 3.49Å; T120-T124 PolarHBondContact O-N 3.1Å; T120-T124 VanDerWaalsContact O-N 3.08Å; T120-T124 PolarHBondContact O-OG1 2.69Å; T120-A154 HydrophobicContact CG2-CB 3.84Å; T120-I156 HydrophobicContact CG2-CD1 4.41Å; T120-G159 WeakPolarHBondContact OG1-CA 3.25Å; T120-L218 HydrophobicContact CG2-CD1 4.07Å; T120-L218 HydrophobicContact CG2-CD2 3.85Å; T120-L218 HydrophobicContact CG2-CG 4.08Å
121	A	98	Very high	96.6	Very high	18 Å²	18	31 Å²	31	15%	0.149	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-41.1	178	0	0	0	0	0	112.4	H117 A118 I119 C123 T124 Q125 L218	H117-A121 WeakPolarHBondContact O-CB 3.41Å; H117-A121 PolarHBondContact O-N 3.45Å; A118-A121 PolarHBondContact O-N 3.33Å; I119-A121 VanDerWaalsContact C-N 3.31Å; I119-A121 PolarHBondContact O-N 3.11Å; A121-C123 VanDerWaalsContact C-N 3.34Å; A121-T124 PolarHBondContact O-N 3.22Å; A121-T124 PolarHBondContact O-OG1 2.98Å; A121-Q125 WeakPolarHBondContact O-CB 3.29Å; A121-Q125 WeakPolarHBondContact O-CG 3.39Å; A121-Q125 PolarHBondContact O-N 3.44Å; A121-Q125 VanDerWaalsContact O-N 3.07Å; A121-L218 HydrophobicContact CB-CD1 3.71Å
122	A	97.9	Very high	96.5	Very high	8 Å²	8	30.9 Å²	30.9	7%	0.066	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-38.7	177.4	0	0	0	0	0	111.6	V61 A118 I119 Q125 G126 N127 L128	V61-A122 HydrophobicContact CB-CB 4.47Å; V61-A122 HydrophobicContact CG1-CB 3.7Å; V61-A122 HydrophobicContact CG2-CB 3.88Å; A118-A122 WeakPolarHBondContact O-CB 3.04Å; A118-A122 PolarHBondContact O-N 2.88Å; I119-A122 PolarHBondContact O-N 3Å; A122-Q125 PolarHBondContact O-N 3.01Å; A122-G126 PolarHBondContact O-N 2.76Å; A122-G126 VanDerWaalsContact O-N 3.08Å; A122-N127 HydrophobicContact CB-CB 4.31Å; A122-N127 PolarHBondContact O-N 2.04Å; A122-L128 HydrophobicContact CB-CB 3.99Å
123	C	97.5	Very high	96.3	Very high	3 Å²	3	33 Å²	33	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-43.9	174.9	-68.7	0	0	0	0	112.5	I119 T120 A121 Q125 G126 C131 G132	I119-C123 PolarHBondContact O-N 3.41Å; I119-C123 PolarHBondContact O-SG 3.19Å; T120-C123 PolarHBondContact O-N 3.41Å; A121-C123 VanDerWaalsContact C-N 3.34Å; C123-Q125 VanDerWaalsContact C-N 3.31Å; C123-Q125 PolarHBondContact O-N 2.71Å; C123-G126 PolarHBondContact O-N 2.83Å; C123-C131 WeakPolarHBondContact CA-SG 3.43Å; C123-C131 HydrophobicContact CB-CB 3.77Å; C123-C131 WeakPolarHBondContact CB-SG 3.38Å; C123-C131 WeakPolarHBondContact SG-CB 3.49Å; C123-C131 CovalentContact SG-SG 2.03Å; C123-C131 PolarHBondContact SG-SG 2.99Å; C123-G132 WeakPolarHBondContact O-CA 3.08Å
124	T	96	Very high	96.1	Very high	39 Å²	39	34.4 Å²	34.4	24%	0.239	22%	0.216	C	C	.	.	H	α-helix	trans	-69.1	-29.9	178.4	53.2	0	0	0	0	113.4	T120 A121 G126 C152 A154	T120-T124 WeakPolarHBondContact O-CG2 3.49Å; T120-T124 PolarHBondContact O-N 3.1Å; T120-T124 VanDerWaalsContact O-N 3.08Å; T120-T124 PolarHBondContact O-OG1 2.69Å; A121-T124 PolarHBondContact O-N 3.22Å; A121-T124 PolarHBondContact O-OG1 2.98Å; T124-G126 VanDerWaalsContact C-N 3.32Å; T124-C152 PolarHBondContact O-SG 2.93Å; T124-C152 VanDerWaalsContact O-SG 3.35Å; T124-A154 HydrophobicContact CG2-CB 3.72Å
125	Q	95.8	Very high	95.8	Very high	131 Å²	131	42.3 Å²	42.3	61%	0.612	25%	0.251	S	S	*	.	H	α-helix	trans	-81.1	-12.9	176.6	-68.2	168.9	19.3	0	0	113.1	A121 A122 C123 N127	A121-Q125 WeakPolarHBondContact O-CB 3.29Å; A121-Q125 WeakPolarHBondContact O-CG 3.39Å; A121-Q125 PolarHBondContact O-N 3.44Å; A121-Q125 VanDerWaalsContact O-N 3.07Å; A122-Q125 PolarHBondContact O-N 3.01Å; C123-Q125 VanDerWaalsContact C-N 3.31Å; C123-Q125 PolarHBondContact O-N 2.71Å; Q125-N127 VanDerWaalsContact C-N 3.33Å; Q125-N127 PolarHBondContact OE1-ND2 3.39Å
126	G	94.9	Very high	95.4	Very high	60 Å²	60	47.8 Å²	47.8	62%	0.619	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	18.8	-174.1	0	0	0	0	0	114	A122 C123 T124	A122-G126 PolarHBondContact O-N 2.76Å; A122-G126 VanDerWaalsContact O-N 3.08Å; C123-G126 PolarHBondContact O-N 2.83Å; T124-G126 VanDerWaalsContact C-N 3.32Å
127	N	95.1	Very high	94.8	Very high	116 Å²	116	52.2 Å²	52.2	62%	0.62	30%	0.295	S	S	*	.			trans	-87	-6.8	180	-73.5	-13.4	0	0	0	113.4	A122 Q125	A122-N127 HydrophobicContact CB-CB 4.31Å; A122-N127 PolarHBondContact O-N 2.04Å; Q125-N127 VanDerWaalsContact C-N 3.33Å; Q125-N127 PolarHBondContact OE1-ND2 3.39Å
128	L	94.2	Very high	94.1	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.037	31%	0.31	C	S	.	.	S	Bend	trans	-124.5	136.7	179.8	-170.4	67.1	0	0	0	110.4	D57 A58 V61 I119 A122	D57-L128 HydrophobicContact CB-CD1 4.34Å; D57-L128 WeakPolarHBondContact OD2-CD1 3.16Å; A58-L128 HydrophobicContact CB-CD1 3.89Å; V61-L128 HydrophobicContact CG2-CD1 4.38Å; I119-L128 HydrophobicContact CG2-CD2 3.98Å; A122-L128 HydrophobicContact CB-CB 3.99Å
129	S	91.1	Very high	93.3	Very high	56 Å²	56	58 Å²	58	39%	0.392	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	162.7	178.2	72	0	0	0	0	111.5	R55 D57 C131	R55-S129 PolarHBondContact NH2-O 3.48Å; D57-S129 PolarHBondContact OD2-N 2.77Å; D57-S129 PolarHBondContact OD2-OG 3.39Å; S129-C131 PolarHBondContact O-N 2.04Å; S129-C131 VanDerWaalsContact O-N 3.13Å
130	D	89.2	Confident	92.8	Very high	117 Å²	117	63.1 Å²	63.1	63%	0.626	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	23.3	172.7	-45.7	-52.8	0	0	0	114.9	R55 Y158	R55-D130 IonicContact CZ-OD2 2.76Å; R55-D130 IonicContact NE-OD2 3.78Å; R55-D130 IonicContact NH1-OD2 3.88Å; R55-D130 IonicContact NH2-OD2 3.09Å; D130-Y158 PolarHBondContact O-OH 3.23Å
131	C	95.3	Very high	92.2	Very high	36 Å²	36	70.1 Å²	70.1	24%	0.243	39%	0.389	C	S	.	.			trans	-152.1	175	169.4	63.4	0	0	0	0	111.5	C123 S129 Y158	C123-C131 WeakPolarHBondContact CA-SG 3.43Å; C123-C131 HydrophobicContact CB-CB 3.77Å; C123-C131 WeakPolarHBondContact CB-SG 3.38Å; C123-C131 WeakPolarHBondContact SG-CB 3.49Å; C123-C131 CovalentContact SG-SG 2.03Å; C123-C131 PolarHBondContact SG-SG 2.99Å; S129-C131 PolarHBondContact O-N 2.04Å; S129-C131 VanDerWaalsContact O-N 3.13Å; C131-Y158 HydrophobicContact CB-CD1 3.77Å; C131-Y158 HydrophobicContact CB-CD2 4.23Å; C131-Y158 HydrophobicContact CB-CE1 3.45Å; C131-Y158 VanDerWaalsContact CB-CE1 3.45Å; C131-Y158 HydrophobicContact CB-CE2 3.92Å; C131-Y158 HydrophobicContact CB-CG 4.15Å
132	G	94.9	Very high	91.5	Very high	28 Å²	28	72 Å²	72	29%	0.289	40%	0.395	S	S	.	.			trans	-172.2	-155.5	179.5	0	0	0	0	0	111.9	C123	C123-G132 WeakPolarHBondContact O-CA 3.08Å
133	C	95.3	Very high	90.5	Very high	45 Å²	45	80.6 Å²	80.6	30%	0.304	43%	0.43	S	S	.	.			trans	-70.2	148.8	174.6	-42.7	0	0	0	0	111.7	K135 C152 S153	C133-K135 PolarHBondContact O-N 3.33Å; C133-C152 HydrophobicContact CB-CB 3.94Å; C133-C152 WeakPolarHBondContact CB-SG 3.49Å; C133-C152 WeakPolarHBondContact SG-CB 3.37Å; C133-C152 CovalentContact SG-SG 2.02Å; C133-C152 PolarHBondContact SG-SG 3.43Å; C133-S153 CarbonylContact C-O 3.49Å; C133-S153 WeakPolarHBondContact CA-O 3.18Å
134	D	94.4	Very high	89.7	Confident	28 Å²	28	89 Å²	89	15%	0.15	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-66.5	129	165.6	-178.8	15.6	0	0	0	110	E136 S153 D155 R157	D134-E136 PolarHBondContact OD1-N 3.2Å; D134-S153 PolarHBondContact N-O 3.06Å; D134-D155 HydrophobicContact CB-CB 4.02Å; D134-R157 IonicContact OD1-NH2 2.75Å
135	K	91.7	Very high	88.9	Confident	167 Å²	167	92.5 Å²	92.5	73%	0.726	48%	0.483	S	S	*	.			trans	-109.1	-4.2	-176.8	-61.7	-177	-175.8	176.7	0	113.2	C133 K137 Q138	C133-K135 PolarHBondContact O-N 3.33Å; K135-K137 VanDerWaalsContact C-N 3.29Å; K135-K137 PolarHBondContact O-N 2.8Å; K135-Q138 WeakPolarHBondContact O-CB 3.44Å; K135-Q138 PolarHBondContact O-N 3.39Å
136	E	90.3	Very high	88.3	Confident	114 Å²	114	87.9 Å²	87.9	53%	0.533	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-40.9	-172.1	-77.6	-172.7	176.9	0	0	113.4	D134 Q140 R157	D134-E136 PolarHBondContact OD1-N 3.2Å; E136-Q140 PolarHBondContact O-NE2 2.99Å; E136-R157 IonicContact OE1-CZ 2.91Å; E136-R157 IonicContact OE1-NH1 3.83Å; E136-R157 PolarHBondContact OE1-NH1 3.45Å; E136-R157 IonicContact OE1-NH2 2.81Å; E136-R157 PolarHBondContact OE1-NH2 3.03Å; E136-R157 IonicContact OE2-CZ 3.06Å; E136-R157 IonicContact OE2-NH1 3.56Å; E136-R157 IonicContact OE2-NH2 3.63Å; E136-R157 PolarHBondContact OE2-NH2 2.88Å
137	K	85.8	Confident	88.1	Confident	94 Å²	94	85.4 Å²	85.4	41%	0.409	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	0.9	-177.3	-59.2	-177.7	-175.2	174.7	0	113.4	K135 G139 Q140 W149	K135-K137 VanDerWaalsContact C-N 3.29Å; K135-K137 PolarHBondContact O-N 2.8Å; K137-G139 PolarHBondContact O-N 2.03Å; K137-Q140 WeakPolarHBondContact O-CB 3.46Å; K137-Q140 WeakPolarHBondContact O-CG 3.17Å; K137-Q140 PolarHBondContact O-N 3.1Å; K137-Q140 VanDerWaalsContact O-N 3.1Å; K137-W149 HydrophobicContact CB-CB 4.47Å; K137-W149 HydrophobicContact CB-CD2 3.67Å; K137-W149 HydrophobicContact CB-CE3 4.11Å; K137-W149 HydrophobicContact CB-CG 3.84Å; K137-W149 HydrophobicContact CB-CZ2 4.44Å; K137-W149 HydrophobicContact CD-CD2 4.24Å; K137-W149 HydrophobicContact CD-CH2 3.85Å; K137-W149 HydrophobicContact CD-CZ2 3.42Å; K137-W149 VanDerWaalsContact CD-CZ2 3.42Å; K137-W149 HydrophobicContact CD-CZ3 4.39Å; K137-W149 WeakPolarHBondContact O-CB 3.3Å; K137-W149 VanDerWaalsContact O-CG 3.31Å
138	Q	84.5	Confident	87.9	Confident	88 Å²	88	84.5 Å²	84.5	41%	0.411	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	125.8	-172.3	-164.3	79.6	1.6	0	0	111.3	K135 Q140 G151	K135-Q138 WeakPolarHBondContact O-CB 3.44Å; K135-Q138 PolarHBondContact O-N 3.39Å; Q138-Q140 VanDerWaalsContact C-N 3.28Å; Q138-Q140 PolarHBondContact O-N 2.77Å; Q138-G151 PolarHBondContact NE2-O 2.78Å; Q138-G151 PolarHBondContact OE1-O 2.92Å
139	G	80.1	Confident	87.8	Confident	62 Å²	62	85.4 Å²	85.4	64%	0.639	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-2.3	177.4	0	0	0	0	0	115.6	K137 W149	K137-G139 PolarHBondContact O-N 2.03Å; G139-W149 WeakPolarHBondContact CA-O 3.31Å; G139-W149 PolarHBondContact N-O 3.44Å; G139-W149 VanDerWaalsContact N-O 3.13Å
140	Q	87.9	Confident	87.8	Confident	107 Å²	107	83.2 Å²	83.2	50%	0.5	42%	0.422	S	S	.	.			trans	-71.7	143.1	174.7	-64.2	-179.6	6.8	0	0	111.2	E136 K137 Q138 W149	E136-Q140 PolarHBondContact O-NE2 2.99Å; K137-Q140 WeakPolarHBondContact O-CB 3.46Å; K137-Q140 WeakPolarHBondContact O-CG 3.17Å; K137-Q140 PolarHBondContact O-N 3.1Å; K137-Q140 VanDerWaalsContact O-N 3.1Å; Q138-Q140 VanDerWaalsContact C-N 3.28Å; Q138-Q140 PolarHBondContact O-N 2.77Å; Q140-W149 PolarHBondContact O-N 2.86Å
141	Y	86.1	Confident	87.9	Confident	148 Å²	148	80 Å²	80	58%	0.58	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.6	178.2	-169.5	-97.1	0	0	0	111.1	K143 K148	Y141-K143 HydrophobicContact CD1-CG 3.93Å; Y141-K143 HydrophobicContact CE1-CG 4.4Å; Y141-K143 PolarHBondContact O-N 3.44Å; Y141-K148 HydrophobicContact CD2-CB 3.98Å
142	H	83.9	Confident	87.8	Confident	59 Å²	59	80.1 Å²	80.1	27%	0.273	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	95	176.4	-159.3	-91.5	0	0	0	109.9	E144 E145 G146 W147	H142-E144 PolarHBondContact O-N 2.94Å; H142-E145 PolarHBondContact O-N 2.8Å; H142-G146 PolarHBondContact O-N 3.45Å; H142-W147 HydrophobicContact CB-CD2 3.93Å; H142-W147 HydrophobicContact CB-CE3 4.28Å; H142-W147 HydrophobicContact CB-CG 4.41Å; H142-W147 HydrophobicContact CB-CH2 4.29Å; H142-W147 HydrophobicContact CB-CZ2 3.94Å; H142-W147 HydrophobicContact CB-CZ3 4.45Å; H142-W147 WeakPolarHBondContact CB-O 3.23Å; H142-W147 AromaticContact CG-CE2 3.97Å; H142-W147 AromaticContact CG-CZ2 3.9Å; H142-W147 PolarHBondContact N-O 3.12Å; H142-W147 PolarHBondContact O-N 3.15Å
143	K	77.3	Confident	87.9	Confident	187 Å²	187	79 Å²	79	81%	0.813	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-39	-172.1	-70.6	-176.1	-179.8	-179.7	0	113.7	Y141 E145	Y141-K143 HydrophobicContact CD1-CG 3.93Å; Y141-K143 HydrophobicContact CE1-CG 4.4Å; Y141-K143 PolarHBondContact O-N 3.44Å; K143-E145 PolarHBondContact O-N 2.79Å
144	E	80.2	Confident	88	Confident	179 Å²	179	77.1 Å²	77.1	84%	0.836	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.8	-174.8	-64.9	179.5	177.4	0	0	113.1	H142	H142-E144 PolarHBondContact O-N 2.94Å
145	E	78.3	Confident	88.2	Confident	114 Å²	114	77.5 Å²	77.5	53%	0.533	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	1.9	-175.5	-64.2	-171.4	176.8	0	0	113.7	H142 K143 W147	H142-E145 PolarHBondContact O-N 2.8Å; K143-E145 PolarHBondContact O-N 2.79Å; E145-W147 VanDerWaalsContact CB-NE1 3.3Å; E145-W147 PolarHBondContact O-N 3.24Å; E145-W147 PolarHBondContact OE2-NE1 3.46Å
146	G	84.8	Confident	88.4	Confident	33 Å²	33	70.4 Å²	70.4	34%	0.34	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	34.1	171.5	0	0	0	0	0	115.3	H142	H142-G146 PolarHBondContact O-N 3.45Å
147	W	89	Confident	88.8	Confident	8 Å²	8	70.6 Å²	70.6	3%	0.03	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.9	178.6	61.4	-96.5	0	0	0	113.1	H142 E145 W149 L198 K212 C214	H142-W147 HydrophobicContact CB-CD2 3.93Å; H142-W147 HydrophobicContact CB-CE3 4.28Å; H142-W147 HydrophobicContact CB-CG 4.41Å; H142-W147 HydrophobicContact CB-CH2 4.29Å; H142-W147 HydrophobicContact CB-CZ2 3.94Å; H142-W147 HydrophobicContact CB-CZ3 4.45Å; H142-W147 WeakPolarHBondContact CB-O 3.23Å; H142-W147 AromaticContact CG-CE2 3.97Å; H142-W147 AromaticContact CG-CZ2 3.9Å; H142-W147 PolarHBondContact N-O 3.12Å; H142-W147 PolarHBondContact O-N 3.15Å; E145-W147 VanDerWaalsContact CB-NE1 3.3Å; E145-W147 PolarHBondContact O-N 3.24Å; E145-W147 PolarHBondContact OE2-NE1 3.46Å; W147-W149 AromaticContact CH2-CD2 3.95Å; W147-W149 HydrophobicContact CH2-CD2 3.95Å; W147-W149 AromaticContact CH2-CE2 3.4Å; W147-W149 VanDerWaalsContact CH2-CE2 3.4Å; W147-W149 HydrophobicContact CH2-CG 4.4Å; W147-W149 HydrophobicContact CH2-CH2 4.2Å; W147-W149 AromaticContact CH2-CZ2 3.56Å; W147-W149 HydrophobicContact CH2-CZ2 3.56Å; W147-W149 AromaticContact CH2-NE1 3.54Å; W147-W149 AromaticContact CZ3-CD1 3.72Å; W147-W149 AromaticContact CZ3-CD2 3.64Å; W147-W149 HydrophobicContact CZ3-CD2 3.64Å; W147-W149 AromaticContact CZ3-CE2 3.58Å; W147-W149 HydrophobicContact CZ3-CE3 4.25Å; W147-W149 AromaticContact CZ3-CG 3.76Å; W147-W149 HydrophobicContact CZ3-CG 3.76Å; W147-W149 HydrophobicContact CZ3-CZ2 4.15Å; W147-W149 AromaticContact CZ3-NE1 3.62Å; W147-L198 HydrophobicContact CH2-CD1 3.97Å; W147-L198 HydrophobicContact CH2-CD2 3.97Å; W147-L198 HydrophobicContact CZ2-CD1 4.45Å; W147-L198 HydrophobicContact CZ2-CD2 3.59Å; W147-L198 HydrophobicContact CZ3-CD1 4.48Å; W147-K212 HydrophobicContact CB-CD 4.15Å; W147-K212 HydrophobicContact CB-CG 3.45Å; W147-K212 VanDerWaalsContact CB-CG 3.45Å; W147-K212 WeakPolarHBondContact CB-O 3.38Å; W147-K212 VanDerWaalsContact CD1-CE 3.48Å; W147-K212 HydrophobicContact CG-CG 4.39Å; W147-C214 HydrophobicContact CD2-CB 4.08Å; W147-C214 VanDerWaalsContact CD2-SG 3.52Å; W147-C214 HydrophobicContact CE3-CB 3.53Å; W147-C214 VanDerWaalsContact CE3-SG 3.57Å; W147-C214 HydrophobicContact CH2-CB 4.28Å; W147-C214 HydrophobicContact CZ3-CB 3.66Å
148	K	91.9	Very high	89.3	Confident	97 Å²	97	69 Å²	69	42%	0.422	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.6	-179.9	67.9	-178.5	-179.6	179.4	0	112.4	Y141 K212 T213 C214	Y141-K148 HydrophobicContact CD2-CB 3.98Å; K148-K212 PolarHBondContact N-O 2.84Å; K148-T213 WeakPolarHBondContact CE-OG1 3.2Å; K148-T213 HydrophobicContact CG-CG2 4.36Å; K148-T213 CarbonylContact O-C 3.59Å; K148-T213 VanDerWaalsContact O-CA 3.31Å; K148-T213 WeakPolarHBondContact O-CA 3.4Å; K148-C214 PolarHBondContact O-N 2.93Å
149	W	92.3	Very high	90	Very high	27 Å²	27	64.8 Å²	64.8	10%	0.102	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.2	168.3	-73.9	96.6	0	0	0	110.4	K137 G139 Q140 W147 L198 C214 T216	K137-W149 HydrophobicContact CB-CB 4.47Å; K137-W149 HydrophobicContact CB-CD2 3.67Å; K137-W149 HydrophobicContact CB-CE3 4.11Å; K137-W149 HydrophobicContact CB-CG 3.84Å; K137-W149 HydrophobicContact CB-CZ2 4.44Å; K137-W149 HydrophobicContact CD-CD2 4.24Å; K137-W149 HydrophobicContact CD-CH2 3.85Å; K137-W149 HydrophobicContact CD-CZ2 3.42Å; K137-W149 VanDerWaalsContact CD-CZ2 3.42Å; K137-W149 HydrophobicContact CD-CZ3 4.39Å; K137-W149 WeakPolarHBondContact O-CB 3.3Å; K137-W149 VanDerWaalsContact O-CG 3.31Å; G139-W149 WeakPolarHBondContact CA-O 3.31Å; G139-W149 PolarHBondContact N-O 3.44Å; G139-W149 VanDerWaalsContact N-O 3.13Å; Q140-W149 PolarHBondContact O-N 2.86Å; W147-W149 AromaticContact CH2-CD2 3.95Å; W147-W149 HydrophobicContact CH2-CD2 3.95Å; W147-W149 AromaticContact CH2-CE2 3.4Å; W147-W149 VanDerWaalsContact CH2-CE2 3.4Å; W147-W149 HydrophobicContact CH2-CG 4.4Å; W147-W149 HydrophobicContact CH2-CH2 4.2Å; W147-W149 AromaticContact CH2-CZ2 3.56Å; W147-W149 HydrophobicContact CH2-CZ2 3.56Å; W147-W149 AromaticContact CH2-NE1 3.54Å; W147-W149 AromaticContact CZ3-CD1 3.72Å; W147-W149 AromaticContact CZ3-CD2 3.64Å; W147-W149 HydrophobicContact CZ3-CD2 3.64Å; W147-W149 AromaticContact CZ3-CE2 3.58Å; W147-W149 HydrophobicContact CZ3-CE3 4.25Å; W147-W149 AromaticContact CZ3-CG 3.76Å; W147-W149 HydrophobicContact CZ3-CG 3.76Å; W147-W149 HydrophobicContact CZ3-CZ2 4.15Å; W147-W149 AromaticContact CZ3-NE1 3.62Å; W149-L198 HydrophobicContact CH2-CD1 3.77Å; W149-L198 HydrophobicContact CZ2-CD1 4.47Å; W149-L198 HydrophobicContact CZ3-CD1 3.93Å; W149-C214 WeakPolarHBondContact CA-O 3.4Å; W149-T216 WeakPolarHBondContact CZ3-OG1 3.39Å
150	G	90.8	Very high	90.9	Very high	10 Å²	10	62.9 Å²	62.9	10%	0.103	31%	0.307	C	S	.	.			trans	-167.1	-162.4	174.6	0	0	0	0	0	111.1	T213 C214 W215	G150-T213 VanDerWaalsContact CA-CG2 3.46Å; G150-C214 PolarHBondContact N-O 2.88Å; G150-W215 WeakPolarHBondContact O-CB 3.37Å
151	G	90.7	Very high	91.3	Very high	48 Å²	48	59.4 Å²	59.4	50%	0.495	30%	0.3	S	S	.	.	S	Bend	trans	67	-149.7	-176.8	0	0	0	0	0	112.7	Q138	Q138-G151 PolarHBondContact NE2-O 2.78Å; Q138-G151 PolarHBondContact OE1-O 2.92Å
152	C	94.6	Very high	91.9	Very high	39 Å²	39	53.4 Å²	53.4	26%	0.264	28%	0.277	S	S	.	.			trans	-119.2	99.7	177.9	178.4	0	0	0	0	108.8	T124 C133	T124-C152 PolarHBondContact O-SG 2.93Å; T124-C152 VanDerWaalsContact O-SG 3.35Å; C133-C152 HydrophobicContact CB-CB 3.94Å; C133-C152 WeakPolarHBondContact CB-SG 3.49Å; C133-C152 WeakPolarHBondContact SG-CB 3.37Å; C133-C152 CovalentContact SG-SG 2.02Å; C133-C152 PolarHBondContact SG-SG 3.43Å
153	S	96.6	Very high	92.5	Very high	5 Å²	5	50.6 Å²	50.6	4%	0.035	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-74.6	140.1	174.9	-67.5	0	0	0	0	110.6	C133 D134 D155 T216	C133-S153 CarbonylContact C-O 3.49Å; C133-S153 WeakPolarHBondContact CA-O 3.18Å; D134-S153 PolarHBondContact N-O 3.06Å; S153-D155 PolarHBondContact O-N 3.19Å; S153-T216 CarbonylContact C-O 3.48Å; S153-T216 WeakPolarHBondContact CA-O 3.26Å; S153-T216 PolarHBondContact OG-N 3.13Å
154	A	97.1	Very high	93.5	Very high	6 Å²	6	45.9 Å²	45.9	5%	0.05	24%	0.243	C	C	.	.			trans	-72.5	118.7	179	0	0	0	0	0	112.7	T120 T124 I156 M196 T216 L218	T120-A154 HydrophobicContact CG2-CB 3.84Å; T124-A154 HydrophobicContact CG2-CB 3.72Å; A154-I156 VanDerWaalsContact C-N 3.34Å; A154-I156 PolarHBondContact O-N 3.48Å; A154-M196 HydrophobicContact CB-CE 3.63Å; A154-T216 PolarHBondContact N-O 3.21Å; A154-L218 HydrophobicContact CB-CG 4.44Å
155	D	97.4	Very high	94.3	Very high	35 Å²	35	41.5 Å²	41.5	19%	0.187	23%	0.229	C	C	.	.			trans	-81.1	80.1	174.9	-171.5	-2.6	0	0	0	111.2	D134 S153 R157 Y158 G159	D134-D155 HydrophobicContact CB-CB 4.02Å; S153-D155 PolarHBondContact O-N 3.19Å; D155-R157 PolarHBondContact O-N 3.26Å; D155-R157 PolarHBondContact OD1-N 3.18Å; D155-Y158 PolarHBondContact O-N 3.06Å; D155-Y158 PolarHBondContact OD1-N 3.06Å; D155-G159 PolarHBondContact O-N 3.36Å
156	I	97.6	Very high	95.2	Very high	18 Å²	18	36.2 Å²	36.2	9%	0.092	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-27.6	179.5	-171.2	54.2	0	0	0	112.7	T120 A154 G159 I160 L192 E193 M196 L218	T120-I156 HydrophobicContact CG2-CD1 4.41Å; A154-I156 VanDerWaalsContact C-N 3.34Å; A154-I156 PolarHBondContact O-N 3.48Å; I156-G159 PolarHBondContact O-N 2.85Å; I156-I160 HydrophobicContact CD1-CD1 4.14Å; I156-I160 HydrophobicContact CD1-CG1 4.02Å; I156-I160 HydrophobicContact CG1-CD1 3.75Å; I156-I160 HydrophobicContact CG1-CG1 4.11Å; I156-I160 WeakPolarHBondContact O-CB 3.47Å; I156-I160 WeakPolarHBondContact O-CG1 3.12Å; I156-I160 PolarHBondContact O-N 3.5Å; I156-L192 HydrophobicContact CD1-CD2 3.66Å; I156-L192 HydrophobicContact CD1-CG 3.84Å; I156-E193 HydrophobicContact CG2-CG 4.41Å; I156-M196 HydrophobicContact CB-CE 3.88Å; I156-M196 HydrophobicContact CB-CG 4.36Å; I156-M196 HydrophobicContact CB-SD 3.9Å; I156-M196 HydrophobicContact CD1-SD 4.18Å; I156-M196 HydrophobicContact CG1-CG 4.35Å; I156-M196 HydrophobicContact CG1-SD 3.9Å; I156-M196 HydrophobicContact CG2-CE 4.3Å; I156-M196 HydrophobicContact CG2-CG 4.23Å; I156-M196 HydrophobicContact CG2-SD 4.4Å; I156-L218 HydrophobicContact CD1-CD2 4.08Å
157	R	97.7	Very high	95.7	Very high	118 Å²	118	35 Å²	35	45%	0.445	19%	0.19	S	C	.	.	H	α-helix	trans	-66.9	-43.1	-179.7	-67.6	177.3	-64.2	172.9	1.6	110.7	D134 E136 D155 G161	D134-R157 IonicContact OD1-NH2 2.75Å; E136-R157 IonicContact OE1-CZ 2.91Å; E136-R157 IonicContact OE1-NH1 3.83Å; E136-R157 PolarHBondContact OE1-NH1 3.45Å; E136-R157 IonicContact OE1-NH2 2.81Å; E136-R157 PolarHBondContact OE1-NH2 3.03Å; E136-R157 IonicContact OE2-CZ 3.06Å; E136-R157 IonicContact OE2-NH1 3.56Å; E136-R157 IonicContact OE2-NH2 3.63Å; E136-R157 PolarHBondContact OE2-NH2 2.88Å; D155-R157 PolarHBondContact O-N 3.26Å; D155-R157 PolarHBondContact OD1-N 3.18Å; R157-G161 PolarHBondContact O-N 3.19Å
158	Y	97.4	Very high	96	Very high	61 Å²	61	35.8 Å²	35.8	24%	0.239	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-49.5	172.8	-177.1	-87.1	0	0	0	111.4	R55 I119 D130 C131 D155 I160 G161 F162	R55-Y158 PolarHBondContact NH1-OH 3.34Å; R55-Y158 VanDerWaalsContact NH1-OH 3.08Å; I119-Y158 HydrophobicContact CG2-CD1 4.17Å; I119-Y158 HydrophobicContact CG2-CE1 4.1Å; D130-Y158 PolarHBondContact O-OH 3.23Å; C131-Y158 HydrophobicContact CB-CD1 3.77Å; C131-Y158 HydrophobicContact CB-CD2 4.23Å; C131-Y158 HydrophobicContact CB-CE1 3.45Å; C131-Y158 VanDerWaalsContact CB-CE1 3.45Å; C131-Y158 HydrophobicContact CB-CE2 3.92Å; C131-Y158 HydrophobicContact CB-CG 4.15Å; D155-Y158 PolarHBondContact O-N 3.06Å; D155-Y158 PolarHBondContact OD1-N 3.06Å; Y158-I160 PolarHBondContact O-N 2.91Å; Y158-G161 PolarHBondContact O-N 3.47Å; Y158-F162 AromaticContact CE1-CD1 3.99Å; Y158-F162 HydrophobicContact CE1-CD1 3.99Å; Y158-F162 PolarHBondContact O-N 3.02Å
159	G	97.8	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-44	-178.6	0	0	0	0	0	113.4	T120 D155 I156 A163	T120-G159 WeakPolarHBondContact OG1-CA 3.25Å; D155-G159 PolarHBondContact O-N 3.36Å; I156-G159 PolarHBondContact O-N 2.85Å; G159-A163 WeakPolarHBondContact O-CB 3.21Å; G159-A163 PolarHBondContact O-N 3.21Å
160	I	98.5	Very high	96.1	Very high	21 Å²	21	32.7 Å²	32.7	11%	0.108	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-45.2	173.7	-73.8	176.5	0	0	0	110.8	A116 I156 Y158 F162 A163 K164 R189 E193	A116-I160 HydrophobicContact CB-CG1 4.2Å; I156-I160 HydrophobicContact CD1-CD1 4.14Å; I156-I160 HydrophobicContact CD1-CG1 4.02Å; I156-I160 HydrophobicContact CG1-CD1 3.75Å; I156-I160 HydrophobicContact CG1-CG1 4.11Å; I156-I160 WeakPolarHBondContact O-CB 3.47Å; I156-I160 WeakPolarHBondContact O-CG1 3.12Å; I156-I160 PolarHBondContact O-N 3.5Å; Y158-I160 PolarHBondContact O-N 2.91Å; I160-F162 PolarHBondContact O-N 2.88Å; I160-A163 PolarHBondContact O-N 3.12Å; I160-K164 WeakPolarHBondContact O-CB 3.44Å; I160-K164 PolarHBondContact O-N 3.33Å; I160-R189 HydrophobicContact CD1-CB 4.36Å; I160-R189 WeakPolarHBondContact CD1-O 3.25Å; I160-R189 HydrophobicContact CG1-CB 4.14Å; I160-R189 HydrophobicContact CG2-CB 4.2Å; I160-E193 HydrophobicContact CD1-CB 3.72Å; I160-E193 HydrophobicContact CD1-CG 4.22Å
161	G	98.1	Very high	96.2	Very high	34 Å²	34	33.2 Å²	33.2	35%	0.351	18%	0.183	S	C	.	.	H	α-helix	trans	-59	-48.2	179.7	0	0	0	0	0	112.3	R157 Y158 K164 V165	R157-G161 PolarHBondContact O-N 3.19Å; Y158-G161 PolarHBondContact O-N 3.47Å; G161-K164 PolarHBondContact O-N 3.14Å; G161-V165 WeakPolarHBondContact O-CG2 3.41Å; G161-V165 PolarHBondContact O-N 2.97Å; G161-V165 VanDerWaalsContact O-N 3.12Å
162	F	97.6	Very high	96	Very high	23 Å²	23	35.2 Å²	35.2	10%	0.101	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-47.2	177.7	-162.2	165.6	0	0	0	111.1	I51 R55 A58 I62 I119 Y158 I160 K164 V165 F166	I51-F162 HydrophobicContact CG2-CE2 3.94Å; R55-F162 HydrophobicContact CB-CZ 3.86Å; R55-F162 HydrophobicContact CG-CZ 4.07Å; A58-F162 HydrophobicContact CB-CE1 3.53Å; A58-F162 HydrophobicContact CB-CE2 4.44Å; A58-F162 HydrophobicContact CB-CZ 3.36Å; I62-F162 HydrophobicContact CD1-CE2 4.26Å; I62-F162 HydrophobicContact CD1-CZ 4.48Å; I119-F162 HydrophobicContact CD1-CB 4.02Å; I119-F162 HydrophobicContact CD1-CD1 4.3Å; I119-F162 HydrophobicContact CD1-CD2 4.48Å; I119-F162 HydrophobicContact CD1-CG 4.01Å; I119-F162 HydrophobicContact CG2-CB 4.35Å; I119-F162 HydrophobicContact CG2-CD1 4.23Å; Y158-F162 AromaticContact CE1-CD1 3.99Å; Y158-F162 HydrophobicContact CE1-CD1 3.99Å; Y158-F162 PolarHBondContact O-N 3.02Å; I160-F162 PolarHBondContact O-N 2.88Å; F162-K164 PolarHBondContact O-N 3.45Å; F162-V165 PolarHBondContact O-N 3.32Å; F162-F166 PolarHBondContact O-N 3.48Å
163	A	97.9	Very high	95.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.5	-39.8	176.7	0	0	0	0	0	112	V115 A116 I119 G159 I160 F166 V167	V115-A163 HydrophobicContact CB-CB 4.31Å; V115-A163 HydrophobicContact CG1-CB 3.85Å; A116-A163 HydrophobicContact CB-CB 3.69Å; I119-A163 HydrophobicContact CD1-CB 4.4Å; G159-A163 WeakPolarHBondContact O-CB 3.21Å; G159-A163 PolarHBondContact O-N 3.21Å; I160-A163 PolarHBondContact O-N 3.12Å; A163-F166 PolarHBondContact O-N 2.83Å; A163-V167 WeakPolarHBondContact O-CB 3.39Å; A163-V167 VanDerWaalsContact O-CG2 3.23Å; A163-V167 WeakPolarHBondContact O-CG2 3.02Å; A163-V167 PolarHBondContact O-N 2.83Å
164	K	97.9	Very high	94.9	Very high	87 Å²	87	46.7 Å²	46.7	38%	0.378	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-50.7	174.3	-174.2	167	-165.7	148	0	112	I160 G161 F162 F166 D168 E186	I160-K164 WeakPolarHBondContact O-CB 3.44Å; I160-K164 PolarHBondContact O-N 3.33Å; G161-K164 PolarHBondContact O-N 3.14Å; F162-K164 PolarHBondContact O-N 3.45Å; K164-F166 VanDerWaalsContact C-N 3.3Å; K164-F166 PolarHBondContact O-N 2.85Å; K164-D168 WeakPolarHBondContact O-CB 3.4Å; K164-D168 PolarHBondContact O-N 3.31Å; K164-D168 VanDerWaalsContact O-N 3.17Å; K164-E186 VanDerWaalsContact NZ-CD 3.3Å; K164-E186 IonicContact NZ-OE1 2.92Å; K164-E186 PolarHBondContact NZ-OE1 2.82Å; K164-E186 IonicContact NZ-OE2 3.6Å; K164-E186 PolarHBondContact NZ-OE2 3.29Å
165	V	96.8	Very high	94.6	Very high	88 Å²	88	49.3 Å²	49.3	53%	0.533	24%	0.241	S	C	.	.	H	α-helix	trans	-57.9	-41.6	178.3	171.1	0	0	0	0	111.8	I51 G161 F162 A169	I51-V165 HydrophobicContact CD1-CG1 3.77Å; I51-V165 WeakPolarHBondContact CD1-O 3.37Å; I51-V165 HydrophobicContact CG1-CG1 4.27Å; G161-V165 WeakPolarHBondContact O-CG2 3.41Å; G161-V165 PolarHBondContact O-N 2.97Å; G161-V165 VanDerWaalsContact O-N 3.12Å; F162-V165 PolarHBondContact O-N 3.32Å; V165-A169 WeakPolarHBondContact O-CB 3.48Å
166	F	96.3	Very high	94.4	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-84.8	-48.9	-176.2	-176.5	-87	0	0	0	114.5	L44 Q48 I51 I59 I62 F93 F162 A163 K164 A169	L44-F166 HydrophobicContact CD2-CE2 4.38Å; L44-F166 HydrophobicContact CD2-CZ 3.69Å; Q48-F166 HydrophobicContact CB-CD2 4.41Å; Q48-F166 HydrophobicContact CB-CE2 3.85Å; Q48-F166 HydrophobicContact CB-CZ 4.08Å; Q48-F166 HydrophobicContact CG-CD2 4.46Å; Q48-F166 HydrophobicContact CG-CE1 4.49Å; Q48-F166 HydrophobicContact CG-CE2 4.22Å; Q48-F166 HydrophobicContact CG-CZ 4.24Å; Q48-F166 WeakPolarHBondContact CG-O 3.41Å; Q48-F166 PolarHBondContact NE2-O 3.33Å; I51-F166 HydrophobicContact CB-CD2 4.24Å; I51-F166 HydrophobicContact CD1-CD2 4.47Å; I51-F166 HydrophobicContact CG2-CD2 3.93Å; I59-F166 HydrophobicContact CD1-CE2 3.75Å; I59-F166 HydrophobicContact CD1-CZ 3.71Å; I62-F166 HydrophobicContact CD1-CB 4.27Å; I62-F166 HydrophobicContact CD1-CD1 4.21Å; I62-F166 HydrophobicContact CD1-CD2 3.81Å; I62-F166 HydrophobicContact CD1-CE2 4.16Å; I62-F166 HydrophobicContact CD1-CG 3.82Å; I62-F166 HydrophobicContact CG2-CD1 3.55Å; I62-F166 HydrophobicContact CG2-CE1 3.32Å; I62-F166 HydrophobicContact CG2-CG 4.27Å; I62-F166 HydrophobicContact CG2-CZ 3.83Å; F93-F166 HydrophobicContact CD1-CE1 4.35Å; F93-F166 AromaticContact CE1-CE1 3.92Å; F93-F166 HydrophobicContact CE1-CE1 3.92Å; F93-F166 HydrophobicContact CE1-CZ 4.13Å; F93-F166 HydrophobicContact CZ-CZ 4.5Å; F162-F166 PolarHBondContact O-N 3.48Å; A163-F166 PolarHBondContact O-N 2.83Å; K164-F166 VanDerWaalsContact C-N 3.3Å; K164-F166 PolarHBondContact O-N 2.85Å; F166-A169 WeakPolarHBondContact O-CB 3.03Å; F166-A169 PolarHBondContact O-N 3.38Å
167	V	95.9	Very high	94.2	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.048	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-41.1	-174.8	178.1	0	0	0	0	109.8	A112 V115 A163 A169 R170	A112-V167 HydrophobicContact CB-CG1 4.26Å; V115-V167 HydrophobicContact CB-CG2 3.98Å; V115-V167 HydrophobicContact CG1-CG2 3.98Å; V115-V167 HydrophobicContact CG2-CG2 3.99Å; A163-V167 WeakPolarHBondContact O-CB 3.39Å; A163-V167 VanDerWaalsContact O-CG2 3.23Å; A163-V167 WeakPolarHBondContact O-CG2 3.02Å; A163-V167 PolarHBondContact O-N 2.83Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 2.81Å; V167-R170 WeakPolarHBondContact O-CG 3.23Å
168	D	95.9	Very high	94	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.134	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-80.6	-11.3	-177.6	-57	-2.7	0	0	0	112.2	K164 R170 E171 L182 N185 R189	K164-D168 WeakPolarHBondContact O-CB 3.4Å; K164-D168 PolarHBondContact O-N 3.31Å; K164-D168 VanDerWaalsContact O-N 3.17Å; D168-R170 PolarHBondContact O-N 2.92Å; D168-E171 WeakPolarHBondContact O-CB 3.17Å; D168-E171 PolarHBondContact O-N 3.28Å; D168-L182 HydrophobicContact CB-CD2 3.58Å; D168-N185 PolarHBondContact OD1-ND2 2.89Å; D168-R189 IonicContact OD1-CZ 3.61Å; D168-R189 IonicContact OD1-NH1 3.44Å; D168-R189 PolarHBondContact OD1-NH1 3.43Å; D168-R189 IonicContact OD1-NH2 3.66Å; D168-R189 PolarHBondContact OD1-NH2 3.46Å; D168-R189 IonicContact OD2-CZ 3.97Å; D168-R189 IonicContact OD2-NH1 2.86Å; D168-R189 IonicContact OD2-NH2 3.65Å; D168-R189 PolarHBondContact OD2-NH2 2.9Å
169	A	94.8	Very high	93.9	Very high	10 Å²	10	43.8 Å²	43.8	8%	0.083	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-60.7	-20	-179.6	0	0	0	0	0	114.5	R47 Q48 I51 V165 F166 V167	R47-A169 HydrophobicContact CB-CB 3.86Å; Q48-A169 HydrophobicContact CG-CB 3.75Å; I51-A169 HydrophobicContact CD1-CB 3.85Å; V165-A169 WeakPolarHBondContact O-CB 3.48Å; F166-A169 WeakPolarHBondContact O-CB 3.03Å; F166-A169 PolarHBondContact O-N 3.38Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 2.81Å
170	R	91.1	Very high	93.8	Very high	49 Å²	49	43.8 Å²	43.8	19%	0.185	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-78.9	-21.1	174.3	70.7	-179.8	68	-171.2	8.4	113.4	A45 E96 V167 D168 I172	A45-R170 HydrophobicContact CB-CB 4.06Å; E96-R170 VanDerWaalsContact OE1-CD 3.28Å; E96-R170 WeakPolarHBondContact OE1-CD 3.24Å; E96-R170 IonicContact OE1-NH1 3.68Å; V167-R170 WeakPolarHBondContact O-CG 3.23Å; D168-R170 PolarHBondContact O-N 2.92Å; R170-I172 VanDerWaalsContact C-N 3.32Å; R170-I172 PolarHBondContact O-N 3.04Å
171	E	92.1	Very high	93.7	Very high	21 Å²	21	42.9 Å²	42.9	10%	0.098	22%	0.221	C	C	.	.			trans	-83.7	67.8	-173.2	-64.6	-55.3	153.1	0	0	112.1	D168 T178 N181 L182	D168-E171 WeakPolarHBondContact O-CB 3.17Å; D168-E171 PolarHBondContact O-N 3.28Å; E171-T178 HydrophobicContact CB-CG2 3.79Å; E171-T178 WeakPolarHBondContact OE2-CA 3.26Å; E171-T178 WeakPolarHBondContact OE2-CB 3.5Å; E171-T178 PolarHBondContact OE2-OG1 2.81Å; E171-N181 VanDerWaalsContact CD-CB 3.47Å; E171-N181 VanDerWaalsContact CD-ND2 3.27Å; E171-N181 HydrophobicContact CG-CB 4.15Å; E171-N181 WeakPolarHBondContact OE1-CB 3.35Å; E171-N181 PolarHBondContact OE1-ND2 3.25Å; E171-N181 PolarHBondContact OE2-ND2 3Å; E171-N181 VanDerWaalsContact OE2-ND2 3.15Å; E171-L182 HydrophobicContact CB-CD1 4.45Å; E171-L182 HydrophobicContact CB-CD2 3.78Å; E171-L182 HydrophobicContact CB-CG 4.03Å; E171-L182 HydrophobicContact CG-CD2 3.96Å; E171-L182 HydrophobicContact CG-CG 4.21Å
172	I	87.3	Confident	93.6	Very high	90 Å²	90	44 Å²	44	46%	0.462	22%	0.218	S	C	.	.			trans	-88.9	-32.5	-172	-56	171.2	0	0	0	112.2	R170	R170-I172 VanDerWaalsContact C-N 3.32Å; R170-I172 PolarHBondContact O-N 3.04Å
173	K	85	Confident	93.7	Very high	154 Å²	154	44.7 Å²	44.7	67%	0.67	22%	0.221	S	C	*	.	S	Bend	trans	-76.8	136.7	-171.8	-66.6	-177.4	-179.2	177	0	110.8	N175 T178	K173-N175 VanDerWaalsContact C-N 3.32Å; K173-N175 PolarHBondContact O-N 3.45Å; K173-T178 WeakPolarHBondContact O-CB 3.44Å; K173-T178 WeakPolarHBondContact O-CG2 3.43Å; K173-T178 PolarHBondContact O-OG1 3.44Å
174	Q	83.4	Confident	93.7	Very high	130 Å²	130	44.7 Å²	44.7	61%	0.607	22%	0.221	S	C	*	.			trans	-86.9	71.2	174.6	-67.4	-175.3	-8.4	0	0	111.1
175	N	90.6	Very high	93.7	Very high	61 Å²	61	40.6 Å²	40.6	33%	0.326	20%	0.204	S	C	.	.	S	Bend	trans	-127.9	172.1	177.6	69.8	27.8	0	0	0	111.7	K173 R177 T178 L179	K173-N175 VanDerWaalsContact C-N 3.32Å; K173-N175 PolarHBondContact O-N 3.45Å; N175-R177 VanDerWaalsContact C-N 3.27Å; N175-R177 PolarHBondContact O-N 2.96Å; N175-R177 WeakPolarHBondContact OD1-CB 3.44Å; N175-R177 PolarHBondContact OD1-N 3.33Å; N175-R177 VanDerWaalsContact OD1-N 3.15Å; N175-T178 PolarHBondContact O-N 2.9Å; N175-T178 PolarHBondContact OD1-N 3.04Å; N175-T178 PolarHBondContact OD1-OG1 2.91Å; N175-L179 PolarHBondContact O-N 3.26Å
176	A	92.4	Very high	93.8	Very high	21 Å²	21	39.3 Å²	39.3	17%	0.174	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-34.9	-177.9	0	0	0	0	0	112.8	L179 M180 P240 I271	A176-L179 PolarHBondContact O-N 2.77Å; A176-M180 WeakPolarHBondContact O-CB 3.49Å; A176-M180 PolarHBondContact O-N 2.93Å; A176-M180 VanDerWaalsContact O-N 3.07Å; A176-P240 HydrophobicContact CB-CB 3.83Å; A176-P240 HydrophobicContact CB-CG 3.71Å; A176-I271 HydrophobicContact CB-CD1 4.35Å
177	R	93.2	Very high	93.9	Very high	36 Å²	36	39.2 Å²	39.2	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-46	177.8	178.6	57.3	161.3	141.1	-11.9	111.3	L97 V99 N175 L179 M180 N181 I271	L97-R177 PolarHBondContact O-NH2 3.07Å; V99-R177 PolarHBondContact O-NH2 3.37Å; N175-R177 VanDerWaalsContact C-N 3.27Å; N175-R177 PolarHBondContact O-N 2.96Å; N175-R177 WeakPolarHBondContact OD1-CB 3.44Å; N175-R177 PolarHBondContact OD1-N 3.33Å; N175-R177 VanDerWaalsContact OD1-N 3.15Å; R177-L179 PolarHBondContact O-N 3.08Å; R177-M180 WeakPolarHBondContact O-CB 2.99Å; R177-M180 PolarHBondContact O-N 3.49Å; R177-M180 VanDerWaalsContact O-N 3.13Å; R177-N181 PolarHBondContact NH1-OD1 3.25Å; R177-N181 PolarHBondContact O-N 2.9Å; R177-N181 PolarHBondContact O-OD1 3.45Å; R177-N181 VanDerWaalsContact O-OD1 3.06Å; R177-I271 HydrophobicContact CB-CD1 4.24Å
178	T	93.8	Very high	94	Very high	15 Å²	15	38.8 Å²	38.8	9%	0.092	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-40.8	177.4	-74.2	0	0	0	0	112	E171 K173 N175 M180 N181 L182	E171-T178 HydrophobicContact CB-CG2 3.79Å; E171-T178 WeakPolarHBondContact OE2-CA 3.26Å; E171-T178 WeakPolarHBondContact OE2-CB 3.5Å; E171-T178 PolarHBondContact OE2-OG1 2.81Å; K173-T178 WeakPolarHBondContact O-CB 3.44Å; K173-T178 WeakPolarHBondContact O-CG2 3.43Å; K173-T178 PolarHBondContact O-OG1 3.44Å; N175-T178 PolarHBondContact O-N 2.9Å; N175-T178 PolarHBondContact OD1-N 3.04Å; N175-T178 PolarHBondContact OD1-OG1 2.91Å; T178-M180 PolarHBondContact O-N 2.89Å; T178-N181 PolarHBondContact O-N 2.9Å; T178-L182 HydrophobicContact CG2-CD1 3.88Å; T178-L182 HydrophobicContact CG2-CG 4.32Å; T178-L182 WeakPolarHBondContact O-CB 3.49Å; T178-L182 VanDerWaalsContact O-CG 3.29Å; T178-L182 WeakPolarHBondContact O-CG 3.37Å; T178-L182 PolarHBondContact O-N 3.27Å
179	L	95.1	Very high	94.2	Very high	45 Å²	45	37.7 Å²	37.7	24%	0.236	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-39.6	172.9	-69	175.7	0	0	0	111.8	N175 A176 R177 H183 P249 L252	N175-L179 PolarHBondContact O-N 3.26Å; A176-L179 PolarHBondContact O-N 2.77Å; R177-L179 PolarHBondContact O-N 3.08Å; L179-H183 WeakPolarHBondContact O-CB 3.39Å; L179-H183 PolarHBondContact O-N 3.43Å; L179-P249 HydrophobicContact CD1-CB 3.79Å; L179-P249 HydrophobicContact CD1-CG 4.18Å; L179-L252 HydrophobicContact CB-CD1 3.97Å; L179-L252 HydrophobicContact CB-CD2 4.12Å; L179-L252 HydrophobicContact CB-CG 3.94Å; L179-L252 HydrophobicContact CD1-CD2 4.4Å
180	M	96.6	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.3	-41.5	178.3	-165.7	-160.7	86.4	0	0	111.6	A176 R177 T178 H183 N184 L252 V269 Y270 I271	A176-M180 WeakPolarHBondContact O-CB 3.49Å; A176-M180 PolarHBondContact O-N 2.93Å; A176-M180 VanDerWaalsContact O-N 3.07Å; R177-M180 WeakPolarHBondContact O-CB 2.99Å; R177-M180 PolarHBondContact O-N 3.49Å; R177-M180 VanDerWaalsContact O-N 3.13Å; T178-M180 PolarHBondContact O-N 2.89Å; M180-H183 PolarHBondContact O-N 2.9Å; M180-N184 WeakPolarHBondContact O-CB 3.19Å; M180-N184 PolarHBondContact O-N 3.3Å; M180-N184 PolarHBondContact O-ND2 3.48Å; M180-L252 HydrophobicContact CB-CD1 4.24Å; M180-V269 HydrophobicContact CG-CG2 3.84Å; M180-V269 VanDerWaalsContact CG-O 3.3Å; M180-V269 WeakPolarHBondContact CG-O 3.34Å; M180-Y270 VanDerWaalsContact SD-CA 3.54Å; M180-I271 HydrophobicContact CB-CG2 4.37Å; M180-I271 HydrophobicContact CG-CG2 4.27Å; M180-I271 HydrophobicContact SD-CB 4.18Å; M180-I271 HydrophobicContact SD-CD1 4.31Å; M180-I271 HydrophobicContact SD-CG1 3.69Å; M180-I271 HydrophobicContact SD-CG2 3.95Å; M180-I271 PolarHBondContact SD-N 3.07Å; M180-I271 VanDerWaalsContact SD-N 3.42Å
181	N	96.4	Very high	94.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-49.8	176.8	-66.5	-0.2	0	0	0	111	Y108 E171 R177 T178 H183 N184 N185	Y108-N181 HydrophobicContact CD1-CB 3.88Å; Y108-N181 HydrophobicContact CE1-CB 3.71Å; Y108-N181 VanDerWaalsContact CE1-CG 3.49Å; Y108-N181 WeakPolarHBondContact CE1-ND2 3.46Å; Y108-N181 HydrophobicContact CG-CB 4.44Å; Y108-N181 VanDerWaalsContact CZ-CG 3.41Å; Y108-N181 VanDerWaalsContact CZ-ND2 3.27Å; Y108-N181 PolarHBondContact OH-ND2 2.89Å; Y108-N181 VanDerWaalsContact OH-ND2 3.08Å; E171-N181 VanDerWaalsContact CD-CB 3.47Å; E171-N181 VanDerWaalsContact CD-ND2 3.27Å; E171-N181 HydrophobicContact CG-CB 4.15Å; E171-N181 WeakPolarHBondContact OE1-CB 3.35Å; E171-N181 PolarHBondContact OE1-ND2 3.25Å; E171-N181 PolarHBondContact OE2-ND2 3Å; E171-N181 VanDerWaalsContact OE2-ND2 3.15Å; R177-N181 PolarHBondContact NH1-OD1 3.25Å; R177-N181 PolarHBondContact O-N 2.9Å; R177-N181 PolarHBondContact O-OD1 3.45Å; R177-N181 VanDerWaalsContact O-OD1 3.06Å; T178-N181 PolarHBondContact O-N 2.9Å; N181-H183 VanDerWaalsContact C-N 3.34Å; N181-H183 PolarHBondContact O-N 3.44Å; N181-N184 PolarHBondContact O-N 2.82Å; N181-N185 WeakPolarHBondContact O-CB 3.4Å; N181-N185 PolarHBondContact O-N 3.48Å; N181-N185 PolarHBondContact O-OD1 2.86Å
182	L	96.8	Very high	95	Very high	57 Å²	57	36.7 Å²	36.7	30%	0.298	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-42.1	178.2	-70	172.5	0	0	0	112	D168 E171 T178 E186	D168-L182 HydrophobicContact CB-CD2 3.58Å; E171-L182 HydrophobicContact CB-CD1 4.45Å; E171-L182 HydrophobicContact CB-CD2 3.78Å; E171-L182 HydrophobicContact CB-CG 4.03Å; E171-L182 HydrophobicContact CG-CD2 3.96Å; E171-L182 HydrophobicContact CG-CG 4.21Å; T178-L182 HydrophobicContact CG2-CD1 3.88Å; T178-L182 HydrophobicContact CG2-CG 4.32Å; T178-L182 WeakPolarHBondContact O-CB 3.49Å; T178-L182 VanDerWaalsContact O-CG 3.29Å; T178-L182 WeakPolarHBondContact O-CG 3.37Å; T178-L182 PolarHBondContact O-N 3.27Å; L182-E186 WeakPolarHBondContact O-CB 3.25Å; L182-E186 PolarHBondContact O-N 3.02Å
183	H	97.9	Very high	95.6	Very high	37 Å²	37	35.6 Å²	35.6	17%	0.171	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-51.7	175.2	-177	100.4	0	0	0	111.4	L179 M180 N181 N185 E186 A187 M264 D267 V269	L179-H183 WeakPolarHBondContact O-CB 3.39Å; L179-H183 PolarHBondContact O-N 3.43Å; M180-H183 PolarHBondContact O-N 2.9Å; N181-H183 VanDerWaalsContact C-N 3.34Å; N181-H183 PolarHBondContact O-N 3.44Å; H183-N185 PolarHBondContact O-N 3.21Å; H183-E186 PolarHBondContact O-N 2.86Å; H183-A187 PolarHBondContact O-N 3.42Å; H183-M264 PolarHBondContact CE1-O 2.78Å; H183-M264 PolarHBondContact NE2-O 3.25Å; H183-D267 PolarHBondContact CD2-O 3.43Å; H183-D267 VanDerWaalsContact CD2-O 3.29Å; H183-D267 PolarHBondContact NE2-O 3.45Å; H183-V269 HydrophobicContact CB-CG2 3.97Å; H183-V269 VanDerWaalsContact CD2-CG2 3.42Å; H183-V269 WeakPolarHBondContact CD2-CG2 3.26Å
184	N	98.5	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.1	-35.3	-177.5	-70.1	-45.2	0	0	0	112.6	A105 A109 M180 N181 E186 A187 G188 L268 V269	A105-N184 WeakPolarHBondContact CA-ND2 3.26Å; A105-N184 WeakPolarHBondContact CB-ND2 3.27Å; A109-N184 VanDerWaalsContact CA-O 3.23Å; A109-N184 WeakPolarHBondContact CA-O 3.36Å; A109-N184 VanDerWaalsContact CB-O 3.27Å; A109-N184 WeakPolarHBondContact CB-O 3.39Å; M180-N184 WeakPolarHBondContact O-CB 3.19Å; M180-N184 PolarHBondContact O-N 3.3Å; M180-N184 PolarHBondContact O-ND2 3.48Å; N181-N184 PolarHBondContact O-N 2.82Å; N184-E186 VanDerWaalsContact C-N 3.31Å; N184-E186 PolarHBondContact O-N 2.91Å; N184-A187 PolarHBondContact O-N 3.33Å; N184-G188 PolarHBondContact O-N 2.91Å; N184-L268 WeakPolarHBondContact OD1-CA 3.4Å; N184-V269 PolarHBondContact ND2-O 3.47Å; N184-V269 PolarHBondContact OD1-N 3.35Å
185	N	98.4	Very high	96.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-45.7	171.4	-75.8	-10.1	0	0	0	111	Y108 A112 D168 N181 H183 G188 R189	Y108-N185 WeakPolarHBondContact CB-OD1 3.17Å; Y108-N185 VanDerWaalsContact CD1-OD1 3.32Å; Y108-N185 WeakPolarHBondContact CD1-OD1 3.37Å; Y108-N185 PolarHBondContact O-OD1 3.49Å; A112-N185 HydrophobicContact CB-CB 3.92Å; A112-N185 WeakPolarHBondContact CB-O 3.23Å; D168-N185 PolarHBondContact OD1-ND2 2.89Å; N181-N185 WeakPolarHBondContact O-CB 3.4Å; N181-N185 PolarHBondContact O-N 3.48Å; N181-N185 PolarHBondContact O-OD1 2.86Å; H183-N185 PolarHBondContact O-N 3.21Å; N185-G188 PolarHBondContact O-N 3.4Å; N185-R189 WeakPolarHBondContact O-CG 3.38Å; N185-R189 PolarHBondContact O-N 3.21Å
186	E	98.4	Very high	97.2	Very high	61 Å²	61	28.8 Å²	28.8	29%	0.285	14%	0.142	S	C	.	.	H	α-helix	trans	-66	-42.5	177.4	-167.2	71.5	164.3	0	0	111.8	K164 L182 H183 N184 G188 R189 K190	K164-E186 VanDerWaalsContact NZ-CD 3.3Å; K164-E186 IonicContact NZ-OE1 2.92Å; K164-E186 PolarHBondContact NZ-OE1 2.82Å; K164-E186 IonicContact NZ-OE2 3.6Å; K164-E186 PolarHBondContact NZ-OE2 3.29Å; L182-E186 WeakPolarHBondContact O-CB 3.25Å; L182-E186 PolarHBondContact O-N 3.02Å; H183-E186 PolarHBondContact O-N 2.86Å; N184-E186 VanDerWaalsContact C-N 3.31Å; N184-E186 PolarHBondContact O-N 2.91Å; E186-G188 VanDerWaalsContact C-N 3.3Å; E186-G188 PolarHBondContact O-N 3.44Å; E186-R189 CarbonylContact O-C 3.58Å; E186-R189 PolarHBondContact O-N 2.94Å; E186-R189 VanDerWaalsContact O-N 3.11Å; E186-R189 IonicContact OE2-CZ 3.52Å; E186-R189 IonicContact OE2-NE 2.78Å; E186-R189 PolarHBondContact OE2-NE 2.85Å; E186-R189 VanDerWaalsContact OE2-NE 3.13Å; E186-R189 IonicContact OE2-NH2 3.39Å; E186-R189 PolarHBondContact OE2-NH2 2.83Å; E186-K190 WeakPolarHBondContact O-CB 3.47Å; E186-K190 PolarHBondContact O-N 3.4Å
187	A	98.7	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.7	-44.5	176.6	0	0	0	0	0	111.8	H183 N184 R189 K190 I191 D265 L268	H183-A187 PolarHBondContact O-N 3.42Å; N184-A187 PolarHBondContact O-N 3.33Å; A187-R189 PolarHBondContact O-N 3.48Å; A187-K190 PolarHBondContact O-N 2.99Å; A187-I191 WeakPolarHBondContact O-CB 3.17Å; A187-I191 WeakPolarHBondContact O-CD1 3.41Å; A187-I191 WeakPolarHBondContact O-CG1 3.41Å; A187-I191 PolarHBondContact O-N 3.09Å; A187-D265 WeakPolarHBondContact CA-O 3.38Å; A187-D265 WeakPolarHBondContact CB-O 3.41Å; A187-L268 HydrophobicContact CB-CD2 4.03Å
188	G	98.7	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-45.5	174.6	0	0	0	0	0	113.2	A109 A113 N184 N185 E186 L192	A109-G188 WeakPolarHBondContact O-CA 3.31Å; A113-G188 WeakPolarHBondContact CB-O 3.48Å; N184-G188 PolarHBondContact O-N 2.91Å; N185-G188 PolarHBondContact O-N 3.4Å; E186-G188 VanDerWaalsContact C-N 3.3Å; E186-G188 PolarHBondContact O-N 3.44Å; G188-L192 PolarHBondContact O-N 3.46Å; G188-L192 VanDerWaalsContact O-N 3.16Å
189	R	98.8	Very high	97.5	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-38.7	177.4	-70.1	-177.5	-64.6	-112.6	5.1	112.2	A112 A116 I160 D168 N185 E186 A187 L192 E193	A112-R189 HydrophobicContact CB-CG 4.29Å; A116-R189 HydrophobicContact CB-CG 4.27Å; I160-R189 HydrophobicContact CD1-CB 4.36Å; I160-R189 WeakPolarHBondContact CD1-O 3.25Å; I160-R189 HydrophobicContact CG1-CB 4.14Å; I160-R189 HydrophobicContact CG2-CB 4.2Å; D168-R189 IonicContact OD1-CZ 3.61Å; D168-R189 IonicContact OD1-NH1 3.44Å; D168-R189 PolarHBondContact OD1-NH1 3.43Å; D168-R189 IonicContact OD1-NH2 3.66Å; D168-R189 PolarHBondContact OD1-NH2 3.46Å; D168-R189 IonicContact OD2-CZ 3.97Å; D168-R189 IonicContact OD2-NH1 2.86Å; D168-R189 IonicContact OD2-NH2 3.65Å; D168-R189 PolarHBondContact OD2-NH2 2.9Å; N185-R189 WeakPolarHBondContact O-CG 3.38Å; N185-R189 PolarHBondContact O-N 3.21Å; E186-R189 CarbonylContact O-C 3.58Å; E186-R189 PolarHBondContact O-N 2.94Å; E186-R189 VanDerWaalsContact O-N 3.11Å; E186-R189 IonicContact OE2-CZ 3.52Å; E186-R189 IonicContact OE2-NE 2.78Å; E186-R189 PolarHBondContact OE2-NE 2.85Å; E186-R189 VanDerWaalsContact OE2-NE 3.13Å; E186-R189 IonicContact OE2-NH2 3.39Å; E186-R189 PolarHBondContact OE2-NH2 2.83Å; A187-R189 PolarHBondContact O-N 3.48Å; R189-L192 WeakPolarHBondContact O-CB 3.46Å; R189-L192 PolarHBondContact O-N 3.19Å; R189-E193 PolarHBondContact O-N 2.97Å
190	K	98.6	Very high	97.4	Very high	56 Å²	56	37.9 Å²	37.9	24%	0.243	19%	0.186	C	C	.	.	H	α-helix	trans	-68.3	-44.8	179.9	-172.4	62.8	-178.6	171.2	0	112	E186 A187 L192 E193 E194 T266	E186-K190 WeakPolarHBondContact O-CB 3.47Å; E186-K190 PolarHBondContact O-N 3.4Å; A187-K190 PolarHBondContact O-N 2.99Å; K190-L192 VanDerWaalsContact C-N 3.25Å; K190-L192 PolarHBondContact O-N 2.92Å; K190-E193 WeakPolarHBondContact CD-OE2 3.43Å; K190-E193 IonicContact NZ-OE2 3.61Å; K190-E193 PolarHBondContact NZ-OE2 3.39Å; K190-E193 WeakPolarHBondContact O-CB 3.45Å; K190-E193 PolarHBondContact O-N 3.46Å; K190-E193 VanDerWaalsContact O-N 3.11Å; K190-E194 VanDerWaalsContact CE-OE1 3.27Å; K190-E194 WeakPolarHBondContact CE-OE1 3.14Å; K190-E194 WeakPolarHBondContact O-CG 3.4Å; K190-E194 PolarHBondContact O-N 3.12Å; K190-T266 HydrophobicContact CB-CG2 4.38Å; K190-T266 HydrophobicContact CG-CG2 3.79Å
191	I	98.6	Very high	97.2	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-37.6	175.7	-67.3	164.5	0	0	0	110.5	A187 N195 L224 I227 L228 K231 T266	A187-I191 WeakPolarHBondContact O-CB 3.17Å; A187-I191 WeakPolarHBondContact O-CD1 3.41Å; A187-I191 WeakPolarHBondContact O-CG1 3.41Å; A187-I191 PolarHBondContact O-N 3.09Å; I191-N195 WeakPolarHBondContact O-CB 3.19Å; I191-N195 PolarHBondContact O-N 3.28Å; I191-N195 PolarHBondContact O-ND2 3.3Å; I191-L224 HydrophobicContact CG2-CD1 3.76Å; I191-I227 HydrophobicContact CG2-CB 4.41Å; I191-I227 HydrophobicContact CG2-CG2 3.63Å; I191-L228 HydrophobicContact CD1-CD2 3.53Å; I191-L228 HydrophobicContact CD1-CG 4.39Å; I191-K231 HydrophobicContact CD1-CG 3.98Å; I191-T266 HydrophobicContact CG1-CG2 4.14Å
192	L	98.6	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-46.9	172.8	175.6	64	0	0	0	112	A116 H117 I156 G188 R189 K190 E194 N195 L218 P219 L224	A116-L192 HydrophobicContact CB-CD2 3.71Å; H117-L192 HydrophobicContact CB-CD1 4.44Å; H117-L192 HydrophobicContact CB-CD2 4.03Å; I156-L192 HydrophobicContact CD1-CD2 3.66Å; I156-L192 HydrophobicContact CD1-CG 3.84Å; G188-L192 PolarHBondContact O-N 3.46Å; G188-L192 VanDerWaalsContact O-N 3.16Å; R189-L192 WeakPolarHBondContact O-CB 3.46Å; R189-L192 PolarHBondContact O-N 3.19Å; K190-L192 VanDerWaalsContact C-N 3.25Å; K190-L192 PolarHBondContact O-N 2.92Å; L192-E194 PolarHBondContact O-N 2.81Å; L192-N195 PolarHBondContact O-N 3.48Å; L192-L218 HydrophobicContact CD1-CD2 4.17Å; L192-P219 HydrophobicContact CD1-CG 3.9Å; L192-L224 HydrophobicContact CB-CD1 4.39Å; L192-L224 HydrophobicContact CB-CD2 4.19Å; L192-L224 HydrophobicContact CD1-CD2 3.92Å
193	E	98.3	Very high	96.7	Very high	68 Å²	68	47.8 Å²	47.8	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-58	-45	177.9	-169.8	-179.1	-135.8	0	0	112.4	I156 I160 R189 K190 N195 M196	I156-E193 HydrophobicContact CG2-CG 4.41Å; I160-E193 HydrophobicContact CD1-CB 3.72Å; I160-E193 HydrophobicContact CD1-CG 4.22Å; R189-E193 PolarHBondContact O-N 2.97Å; K190-E193 WeakPolarHBondContact CD-OE2 3.43Å; K190-E193 IonicContact NZ-OE2 3.61Å; K190-E193 PolarHBondContact NZ-OE2 3.39Å; K190-E193 WeakPolarHBondContact O-CB 3.45Å; K190-E193 PolarHBondContact O-N 3.46Å; K190-E193 VanDerWaalsContact O-N 3.11Å; E193-N195 PolarHBondContact O-N 3.02Å; E193-M196 VanDerWaalsContact O-CG 3.25Å; E193-M196 WeakPolarHBondContact O-CG 3.44Å
194	E	98.1	Very high	96.2	Very high	110 Å²	110	46.7 Å²	46.7	51%	0.514	23%	0.231	S	C	.	.	H	α-helix	trans	-70.9	-17.6	-177.8	-70.4	177.4	177.3	0	0	113.5	K190 L192	K190-E194 VanDerWaalsContact CE-OE1 3.27Å; K190-E194 WeakPolarHBondContact CE-OE1 3.14Å; K190-E194 WeakPolarHBondContact O-CG 3.4Å; K190-E194 PolarHBondContact O-N 3.12Å; L192-E194 PolarHBondContact O-N 2.81Å
195	N	98.2	Very high	95.9	Very high	55 Å²	55	52.7 Å²	52.7	29%	0.294	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	18	-176.7	-73.2	-87.3	0	0	0	113.4	I191 L192 E193 P219 I227	I191-N195 WeakPolarHBondContact O-CB 3.19Å; I191-N195 PolarHBondContact O-N 3.28Å; I191-N195 PolarHBondContact O-ND2 3.3Å; L192-N195 PolarHBondContact O-N 3.48Å; E193-N195 PolarHBondContact O-N 3.02Å; N195-P219 HydrophobicContact CB-CG 4.32Å; N195-P219 WeakPolarHBondContact O-CB 3.18Å; N195-P219 WeakPolarHBondContact O-CG 3.41Å; N195-I227 VanDerWaalsContact OD1-CD1 3.29Å; N195-I227 WeakPolarHBondContact OD1-CD1 3.14Å
196	M	97.4	Very high	95.4	Very high	37 Å²	37	58.8 Å²	58.8	18%	0.182	31%	0.31	C	S	.	.			trans	-60	140.4	168.8	-65.1	-65.7	-70.8	0	0	110.5	A154 I156 E193 T216 L218	A154-M196 HydrophobicContact CB-CE 3.63Å; I156-M196 HydrophobicContact CB-CE 3.88Å; I156-M196 HydrophobicContact CB-CG 4.36Å; I156-M196 HydrophobicContact CB-SD 3.9Å; I156-M196 HydrophobicContact CD1-SD 4.18Å; I156-M196 HydrophobicContact CG1-CG 4.35Å; I156-M196 HydrophobicContact CG1-SD 3.9Å; I156-M196 HydrophobicContact CG2-CE 4.3Å; I156-M196 HydrophobicContact CG2-CG 4.23Å; I156-M196 HydrophobicContact CG2-SD 4.4Å; E193-M196 VanDerWaalsContact O-CG 3.25Å; E193-M196 WeakPolarHBondContact O-CG 3.44Å; M196-T216 HydrophobicContact CB-CG2 3.84Å; M196-T216 HydrophobicContact CE-CG2 3.73Å; M196-L218 HydrophobicContact CE-CD2 4.21Å; M196-L218 HydrophobicContact SD-CD2 3.76Å
197	K	96.3	Very high	94.7	Very high	79 Å²	79	58.7 Å²	58.7	34%	0.343	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146	-175.2	-64.8	-168.3	176.7	-171.1	0	111.7	T216 T217 E223	K197-T216 CarbonylContact O-C 3.6Å; K197-T216 VanDerWaalsContact O-CA 3.32Å; K197-T216 WeakPolarHBondContact O-CA 3.06Å; K197-T217 HydrophobicContact CB-CG2 3.95Å; K197-T217 PolarHBondContact N-O 3.43Å; K197-T217 PolarHBondContact O-N 3.46Å; K197-E223 WeakPolarHBondContact CE-OE2 3.38Å; K197-E223 VanDerWaalsContact NZ-CD 3.34Å; K197-E223 IonicContact NZ-OE1 3.28Å; K197-E223 PolarHBondContact NZ-OE1 2.03Å; K197-E223 IonicContact NZ-OE2 2.61Å; K197-E223 PolarHBondContact NZ-OE2 3.13Å
198	L	93.9	Very high	94.3	Very high	77 Å²	77	60.9 Å²	60.9	40%	0.403	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.1	165.3	-172.9	72.6	0	0	0	108.5	W147 W149 C214	W147-L198 HydrophobicContact CH2-CD1 3.97Å; W147-L198 HydrophobicContact CH2-CD2 3.97Å; W147-L198 HydrophobicContact CZ2-CD1 4.45Å; W147-L198 HydrophobicContact CZ2-CD2 3.59Å; W147-L198 HydrophobicContact CZ3-CD1 4.48Å; W149-L198 HydrophobicContact CH2-CD1 3.77Å; W149-L198 HydrophobicContact CZ2-CD1 4.47Å; W149-L198 HydrophobicContact CZ3-CD1 3.93Å; L198-C214 HydrophobicContact CD1-CB 3.77Å; L198-C214 HydrophobicContact CD2-CB 4.35Å; L198-C214 HydrophobicContact CG-CB 4.01Å
199	E	94.3	Very high	93.8	Very high	96 Å²	96	64.8 Å²	64.8	45%	0.449	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.6	171.2	-81.2	-172.9	-179.5	0	0	110.2	C214 W215 T217	E199-C214 CarbonylContact O-C 3.54Å; E199-C214 WeakPolarHBondContact O-CA 3.48Å; E199-C214 VanDerWaalsContact O-CB 3.29Å; E199-C214 WeakPolarHBondContact O-CB 3.49Å; E199-W215 PolarHBondContact N-O 3.01Å; E199-W215 PolarHBondContact O-N 3.39Å; E199-T217 HydrophobicContact CB-CG2 4.16Å; E199-T217 VanDerWaalsContact CD-CG2 3.48Å; E199-T217 HydrophobicContact CG-CG2 3.57Å
200	C	93.4	Very high	93.3	Very high	55 Å²	55	70 Å²	70	37%	0.372	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.9	-177.2	-60.5	0	0	0	0	110.9	K212 T213 C214	C200-K212 HydrophobicContact CB-CD 4.24Å; C200-T213 CarbonylContact C-O 3.6Å; C200-T213 VanDerWaalsContact CA-O 3.32Å; C200-T213 WeakPolarHBondContact CA-O 3.45Å; C200-C214 HydrophobicContact CB-CB 4.02Å; C200-C214 WeakPolarHBondContact CB-SG 3.32Å; C200-C214 WeakPolarHBondContact SG-CB 3.38Å; C200-C214 CovalentContact SG-SG 2.03Å; C200-C214 PolarHBondContact SG-SG 3.19Å
201	K	93.1	Very high	92.9	Very high	124 Å²	124	70.7 Å²	70.7	54%	0.539	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.6	169.3	-176.3	174.6	-176	177.9	0	110.7	H203 K212 T213 W215	K201-H203 PolarHBondContact O-CD2 2.91Å; K201-K212 CarbonylContact O-C 3.54Å; K201-K212 WeakPolarHBondContact O-CA 3.36Å; K201-K212 WeakPolarHBondContact O-CB 3.45Å; K201-T213 PolarHBondContact N-O 2.78Å; K201-T213 PolarHBondContact O-N 3.33Å; K201-W215 HydrophobicContact CB-CH2 3.63Å; K201-W215 HydrophobicContact CB-CZ3 3.94Å
202	C	92.8	Very high	92.6	Very high	39 Å²	39	73.3 Å²	73.3	26%	0.264	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.5	177.7	-62.3	0	0	0	0	111.2	C209	C202-C209 HydrophobicContact CB-CB 3.83Å; C202-C209 WeakPolarHBondContact CB-SG 3.42Å; C202-C209 VanDerWaalsContact SG-CA 3.58Å; C202-C209 WeakPolarHBondContact SG-CB 3.28Å; C202-C209 CovalentContact SG-SG 2.02Å; C202-C209 PolarHBondContact SG-SG 3.49Å
203	H	89.6	Confident	92.3	Very high	104 Å²	104	74 Å²	74	48%	0.481	42%	0.424	S	S	.	.			trans	-126	14	-173.3	-61.7	-76.5	0	0	0	113.7	K201 T211 T213	K201-H203 PolarHBondContact O-CD2 2.91Å; H203-T211 PolarHBondContact N-O 2.78Å; H203-T213 PolarHBondContact CD2-OG1 3.35Å; H203-T213 PolarHBondContact NE2-OG1 3.19Å; H203-T213 VanDerWaalsContact NE2-OG1 3.12Å
204	G	88.4	Confident	92.1	Very high	14 Å²	14	70.7 Å²	70.7	14%	0.144	41%	0.409	C	S	.	.	S	Bend	trans	-78.8	164.3	179.6	0	0	0	0	0	113.4	S206 G207 S208	G204-S206 PolarHBondContact O-N 2.92Å; G204-G207 PolarHBondContact O-N 2.92Å; G204-S208 VanDerWaalsContact C-OG 3.24Å; G204-S208 WeakPolarHBondContact CA-O 3.27Å; G204-S208 VanDerWaalsContact CA-OG 3.29Å; G204-S208 WeakPolarHBondContact CA-OG 3.48Å; G204-S208 PolarHBondContact N-O 3.35Å; G204-S208 PolarHBondContact O-N 3.45Å
205	V	92.3	Very high	92	Very high	127 Å²	127	68.2 Å²	68.2	77%	0.77	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-53.2	135	177	-175.9	0	0	0	0	109.5	G207 S208	V205-G207 PolarHBondContact O-N 2.98Å; V205-S208 PolarHBondContact N-OG 3.48Å; V205-S208 WeakPolarHBondContact O-CB 3.41Å; V205-S208 PolarHBondContact O-N 3.11Å; V205-S208 VanDerWaalsContact O-N 3.15Å; V205-S208 PolarHBondContact O-OG 3.16Å
206	S	87.4	Confident	91.9	Very high	128 Å²	128	67.1 Å²	67.1	90%	0.895	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	56.3	26.6	-177.3	-53.7	0	0	0	0	115.1	G204	G204-S206 PolarHBondContact O-N 2.92Å
207	G	84.1	Confident	91.9	Very high	59 Å²	59	67 Å²	67	61%	0.608	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	83.8	12.3	179.6	0	0	0	0	0	114.5	G204 V205	G204-G207 PolarHBondContact O-N 2.92Å; V205-G207 PolarHBondContact O-N 2.98Å
208	S	88.9	Confident	91.9	Very high	47 Å²	47	64.2 Å²	64.2	33%	0.329	38%	0.38	S	S	.	.			trans	-64.9	153.2	175.1	57	0	0	0	0	112.6	G204 V205	G204-S208 VanDerWaalsContact C-OG 3.24Å; G204-S208 WeakPolarHBondContact CA-O 3.27Å; G204-S208 VanDerWaalsContact CA-OG 3.29Å; G204-S208 WeakPolarHBondContact CA-OG 3.48Å; G204-S208 PolarHBondContact N-O 3.35Å; G204-S208 PolarHBondContact O-N 3.45Å; V205-S208 PolarHBondContact N-OG 3.48Å; V205-S208 WeakPolarHBondContact O-CB 3.41Å; V205-S208 PolarHBondContact O-N 3.11Å; V205-S208 VanDerWaalsContact O-N 3.15Å; V205-S208 PolarHBondContact O-OG 3.16Å
209	C	89.8	Confident	92.1	Very high	81 Å²	81	60.8 Å²	60.8	55%	0.547	36%	0.362	S	S	.	.			trans	-97.7	25.7	-178	-67.1	0	0	0	0	114.2	C202 T211	C202-C209 HydrophobicContact CB-CB 3.83Å; C202-C209 WeakPolarHBondContact CB-SG 3.42Å; C202-C209 VanDerWaalsContact SG-CA 3.58Å; C202-C209 WeakPolarHBondContact SG-CB 3.28Å; C202-C209 CovalentContact SG-SG 2.02Å; C202-C209 PolarHBondContact SG-SG 3.49Å; C209-T211 PolarHBondContact O-N 2.99Å
210	T	87.8	Confident	92.3	Very high	110 Å²	110	63.6 Å²	63.6	68%	0.675	37%	0.373	S	S	*	.	S	Bend	trans	-60.5	-30.6	178.3	52.6	0	0	0	0	112.8
211	T	89.2	Confident	92.5	Very high	71 Å²	71	62 Å²	62	44%	0.436	36%	0.36	S	S	.	.	S	Bend	trans	-129.6	129.1	164.7	-60.1	0	0	0	0	108	H203 C209	H203-T211 PolarHBondContact N-O 2.78Å; C209-T211 PolarHBondContact O-N 2.99Å
212	K	91.7	Very high	92.8	Very high	59 Å²	59	60.6 Å²	60.6	26%	0.257	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.2	173.5	69.7	-175.2	-179.8	177.5	0	111.1	W147 K148 C200 K201	W147-K212 HydrophobicContact CB-CD 4.15Å; W147-K212 HydrophobicContact CB-CG 3.45Å; W147-K212 VanDerWaalsContact CB-CG 3.45Å; W147-K212 WeakPolarHBondContact CB-O 3.38Å; W147-K212 VanDerWaalsContact CD1-CE 3.48Å; W147-K212 HydrophobicContact CG-CG 4.39Å; K148-K212 PolarHBondContact N-O 2.84Å; C200-K212 HydrophobicContact CB-CD 4.24Å; K201-K212 CarbonylContact O-C 3.54Å; K201-K212 WeakPolarHBondContact O-CA 3.36Å; K201-K212 WeakPolarHBondContact O-CB 3.45Å
213	T	92.6	Very high	93.1	Very high	13 Å²	13	62 Å²	62	8%	0.08	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.8	175.3	-53	0	0	0	0	107.9	K148 G150 C200 K201 H203	K148-T213 WeakPolarHBondContact CE-OG1 3.2Å; K148-T213 HydrophobicContact CG-CG2 4.36Å; K148-T213 CarbonylContact O-C 3.59Å; K148-T213 VanDerWaalsContact O-CA 3.31Å; K148-T213 WeakPolarHBondContact O-CA 3.4Å; G150-T213 VanDerWaalsContact CA-CG2 3.46Å; C200-T213 CarbonylContact C-O 3.6Å; C200-T213 VanDerWaalsContact CA-O 3.32Å; C200-T213 WeakPolarHBondContact CA-O 3.45Å; K201-T213 PolarHBondContact N-O 2.78Å; K201-T213 PolarHBondContact O-N 3.33Å; H203-T213 PolarHBondContact CD2-OG1 3.35Å; H203-T213 PolarHBondContact NE2-OG1 3.19Å; H203-T213 VanDerWaalsContact NE2-OG1 3.12Å
214	C	94.8	Very high	93.5	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.9	-179.4	-47	0	0	0	0	112.4	W147 K148 W149 G150 L198 E199 C200	W147-C214 HydrophobicContact CD2-CB 4.08Å; W147-C214 VanDerWaalsContact CD2-SG 3.52Å; W147-C214 HydrophobicContact CE3-CB 3.53Å; W147-C214 VanDerWaalsContact CE3-SG 3.57Å; W147-C214 HydrophobicContact CH2-CB 4.28Å; W147-C214 HydrophobicContact CZ3-CB 3.66Å; K148-C214 PolarHBondContact O-N 2.93Å; W149-C214 WeakPolarHBondContact CA-O 3.4Å; G150-C214 PolarHBondContact N-O 2.88Å; L198-C214 HydrophobicContact CD1-CB 3.77Å; L198-C214 HydrophobicContact CD2-CB 4.35Å; L198-C214 HydrophobicContact CG-CB 4.01Å; E199-C214 CarbonylContact O-C 3.54Å; E199-C214 WeakPolarHBondContact O-CA 3.48Å; E199-C214 VanDerWaalsContact O-CB 3.29Å; E199-C214 WeakPolarHBondContact O-CB 3.49Å; C200-C214 HydrophobicContact CB-CB 4.02Å; C200-C214 WeakPolarHBondContact CB-SG 3.32Å; C200-C214 WeakPolarHBondContact SG-CB 3.38Å; C200-C214 CovalentContact SG-SG 2.03Å; C200-C214 PolarHBondContact SG-SG 3.19Å
215	W	95.5	Very high	94	Very high	58 Å²	58	56.4 Å²	56.4	22%	0.22	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.2	175.5	52.2	92.7	0	0	0	110.5	G150 E199 K201	G150-W215 WeakPolarHBondContact O-CB 3.37Å; E199-W215 PolarHBondContact N-O 3.01Å; E199-W215 PolarHBondContact O-N 3.39Å; K201-W215 HydrophobicContact CB-CH2 3.63Å; K201-W215 HydrophobicContact CB-CZ3 3.94Å
216	T	96.4	Very high	94.3	Very high	32 Å²	32	55.6 Å²	55.6	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.6	173.1	-54.4	0	0	0	0	109.5	W149 S153 A154 M196 K197	W149-T216 WeakPolarHBondContact CZ3-OG1 3.39Å; S153-T216 CarbonylContact C-O 3.48Å; S153-T216 WeakPolarHBondContact CA-O 3.26Å; S153-T216 PolarHBondContact OG-N 3.13Å; A154-T216 PolarHBondContact N-O 3.21Å; M196-T216 HydrophobicContact CB-CG2 3.84Å; M196-T216 HydrophobicContact CE-CG2 3.73Å; K197-T216 CarbonylContact O-C 3.6Å; K197-T216 VanDerWaalsContact O-CA 3.32Å; K197-T216 WeakPolarHBondContact O-CA 3.06Å
217	T	97.1	Very high	94.8	Very high	34 Å²	34	52 Å²	52	21%	0.209	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	162.7	178	-167.2	0	0	0	0	111.3	K197 E199	K197-T217 HydrophobicContact CB-CG2 3.95Å; K197-T217 PolarHBondContact N-O 3.43Å; K197-T217 PolarHBondContact O-N 3.46Å; E199-T217 HydrophobicContact CB-CG2 4.16Å; E199-T217 VanDerWaalsContact CD-CG2 3.48Å; E199-T217 HydrophobicContact CG-CG2 3.57Å
218	L	97.8	Very high	95.5	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.11	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-70.5	147.1	173.8	-69.1	164.8	0	0	0	111	H117 T120 A121 A154 I156 L192 M196	H117-L218 WeakPolarHBondContact O-CD1 3.36Å; T120-L218 HydrophobicContact CG2-CD1 4.07Å; T120-L218 HydrophobicContact CG2-CD2 3.85Å; T120-L218 HydrophobicContact CG2-CG 4.08Å; A121-L218 HydrophobicContact CB-CD1 3.71Å; A154-L218 HydrophobicContact CB-CG 4.44Å; I156-L218 HydrophobicContact CD1-CD2 4.08Å; L192-L218 HydrophobicContact CD1-CD2 4.17Å; M196-L218 HydrophobicContact CE-CD2 4.21Å; M196-L218 HydrophobicContact SD-CD2 3.76Å
219	P	97.8	Very high	95.9	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.032	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.6	161.2	170	29	-33.8	0	0	0	111.2	H117 L192 N195 F221	H117-P219 PolarHBondContact NE2-O 3.02Å; L192-P219 HydrophobicContact CD1-CG 3.9Å; N195-P219 HydrophobicContact CB-CG 4.32Å; N195-P219 WeakPolarHBondContact O-CB 3.18Å; N195-P219 WeakPolarHBondContact O-CG 3.41Å; P219-F221 PolarHBondContact O-N 3.26Å
220	K	98	Very high	96.3	Very high	155 Å²	155	49.2 Å²	49.2	67%	0.674	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-62.8	128.4	166.1	-69.1	179.9	-178.2	172.7	0	108.4	R222 E223 L224	K220-R222 PolarHBondContact O-N 2.92Å; K220-R222 VanDerWaalsContact O-N 3.12Å; K220-E223 HydrophobicContact CB-CG 4.13Å; K220-E223 WeakPolarHBondContact O-CB 3.33Å; K220-E223 PolarHBondContact O-N 2.93Å; K220-L224 PolarHBondContact O-N 3.18Å
221	F	98.3	Very high	96.8	Very high	20 Å²	20	46 Å²	46	9%	0.088	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-29.8	-173.9	-161.8	-105.6	0	0	0	113.6	M68 E72 I110 A113 G114 H117 P219 E223 L224 G225	M68-F221 HydrophobicContact CG-CB 4.49Å; M68-F221 HydrophobicContact CG-CD1 3.55Å; M68-F221 HydrophobicContact CG-CD2 4.45Å; M68-F221 HydrophobicContact CG-CE1 3.77Å; M68-F221 HydrophobicContact CG-CG 3.91Å; M68-F221 HydrophobicContact CG-CZ 4.33Å; M68-F221 HydrophobicContact SD-CB 3.88Å; M68-F221 HydrophobicContact SD-CD1 3.81Å; M68-F221 HydrophobicContact SD-CD2 3.67Å; M68-F221 HydrophobicContact SD-CE1 4.22Å; M68-F221 HydrophobicContact SD-CE2 4.13Å; M68-F221 HydrophobicContact SD-CG 3.49Å; M68-F221 WeakPolarHBondContact SD-CG 3.48Å; M68-F221 HydrophobicContact SD-CZ 4.38Å; E72-F221 HydrophobicContact CB-CD1 3.83Å; E72-F221 HydrophobicContact CB-CE1 3.57Å; E72-F221 HydrophobicContact CG-CD1 3.98Å; E72-F221 HydrophobicContact CG-CE1 3.96Å; I110-F221 HydrophobicContact CD1-CE1 3.83Å; I110-F221 HydrophobicContact CD1-CZ 3.67Å; I110-F221 HydrophobicContact CG1-CE1 4.16Å; I110-F221 HydrophobicContact CG1-CZ 4.08Å; A113-F221 HydrophobicContact CB-CE2 4.49Å; G114-F221 VanDerWaalsContact CA-CE2 3.46Å; G114-F221 VanDerWaalsContact CA-CZ 3.49Å; H117-F221 HydrophobicContact CB-CD2 4.17Å; H117-F221 HydrophobicContact CB-CE2 4.22Å; H117-F221 AromaticContact CD2-CD2 3.9Å; H117-F221 AromaticContact CG-CD2 3.93Å; P219-F221 PolarHBondContact O-N 3.26Å; F221-E223 VanDerWaalsContact C-N 3.32Å; F221-E223 PolarHBondContact O-N 3.13Å; F221-L224 HydrophobicContact CD2-CD2 4.03Å; F221-L224 HydrophobicContact CE2-CD2 3.81Å; F221-L224 WeakPolarHBondContact O-CB 3.31Å; F221-L224 PolarHBondContact O-N 3.45Å; F221-G225 PolarHBondContact O-N 3.05Å
222	R	98.4	Very high	97.3	Very high	95 Å²	95	43.7 Å²	43.7	36%	0.358	20%	0.199	S	C	.	.	H	α-helix	trans	-58.8	-40.2	172.3	177.3	54.7	51.1	70.7	3.8	113.2	E72 F75 K220 L224 G225 Y226	E72-R222 VanDerWaalsContact CD-NE 3.29Å; E72-R222 VanDerWaalsContact OE1-CD 3.25Å; E72-R222 WeakPolarHBondContact OE1-CD 3.41Å; E72-R222 IonicContact OE1-NE 2.7Å; E72-R222 PolarHBondContact OE1-NE 3.46Å; E72-R222 IonicContact OE2-CZ 3.17Å; E72-R222 IonicContact OE2-NE 3.38Å; E72-R222 PolarHBondContact OE2-NE 2.92Å; E72-R222 IonicContact OE2-NH2 3.13Å; E72-R222 PolarHBondContact OE2-NH2 3.49Å; E72-R222 VanDerWaalsContact OE2-NH2 3.09Å; F75-R222 VanDerWaalsContact CD1-NE 3.31Å; F75-R222 VanDerWaalsContact CE1-CD 3.45Å; F75-R222 VanDerWaalsContact CE1-CZ 3.47Å; F75-R222 VanDerWaalsContact CE1-NE 3.33Å; F75-R222 VanDerWaalsContact CZ-NH1 3.26Å; K220-R222 PolarHBondContact O-N 2.92Å; K220-R222 VanDerWaalsContact O-N 3.12Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-G225 PolarHBondContact O-N 2.88Å; R222-Y226 VanDerWaalsContact CD-CZ 3.5Å; R222-Y226 HydrophobicContact CG-CD2 4.28Å; R222-Y226 HydrophobicContact CG-CE2 3.6Å; R222-Y226 VanDerWaalsContact O-CD2 3.27Å; R222-Y226 WeakPolarHBondContact O-CD2 3.25Å; R222-Y226 PolarHBondContact O-N 3.06Å; R222-Y226 VanDerWaalsContact O-N 3.15Å
223	E	98.3	Very high	97.5	Very high	68 Å²	68	45.1 Å²	45.1	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-66.3	-42	178.5	-63.6	172.9	-166.5	0	0	110.3	K197 K220 F221 G225 Y226 I227	K197-E223 WeakPolarHBondContact CE-OE2 3.38Å; K197-E223 VanDerWaalsContact NZ-CD 3.34Å; K197-E223 IonicContact NZ-OE1 3.28Å; K197-E223 PolarHBondContact NZ-OE1 2.03Å; K197-E223 IonicContact NZ-OE2 2.61Å; K197-E223 PolarHBondContact NZ-OE2 3.13Å; K220-E223 HydrophobicContact CB-CG 4.13Å; K220-E223 WeakPolarHBondContact O-CB 3.33Å; K220-E223 PolarHBondContact O-N 2.93Å; F221-E223 VanDerWaalsContact C-N 3.32Å; F221-E223 PolarHBondContact O-N 3.13Å; E223-G225 VanDerWaalsContact C-N 3.29Å; E223-G225 PolarHBondContact O-N 3.01Å; E223-Y226 PolarHBondContact O-N 3.22Å; E223-Y226 VanDerWaalsContact O-N 3.15Å; E223-I227 WeakPolarHBondContact O-CG1 3.3Å; E223-I227 PolarHBondContact O-N 2.58Å; E223-I227 VanDerWaalsContact O-N 3.09Å
224	L	98.3	Very high	97.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-39.9	173.6	-163.6	73.5	0	0	0	112.1	A113 I191 L192 K220 F221 R222 Y226 I227 L228	A113-L224 HydrophobicContact CB-CD2 3.79Å; I191-L224 HydrophobicContact CG2-CD1 3.76Å; L192-L224 HydrophobicContact CB-CD1 4.39Å; L192-L224 HydrophobicContact CB-CD2 4.19Å; L192-L224 HydrophobicContact CD1-CD2 3.92Å; K220-L224 PolarHBondContact O-N 3.18Å; F221-L224 HydrophobicContact CD2-CD2 4.03Å; F221-L224 HydrophobicContact CE2-CD2 3.81Å; F221-L224 WeakPolarHBondContact O-CB 3.31Å; F221-L224 PolarHBondContact O-N 3.45Å; R222-L224 VanDerWaalsContact C-N 3.34Å; L224-Y226 VanDerWaalsContact C-N 3.32Å; L224-Y226 PolarHBondContact O-N 3.49Å; L224-I227 PolarHBondContact O-N 3.02Å; L224-L228 HydrophobicContact CG-CD1 4.28Å; L224-L228 WeakPolarHBondContact O-CB 3.29Å; L224-L228 PolarHBondContact O-N 3.33Å
225	G	98.5	Very high	97.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-40.7	174	0	0	0	0	0	113	F221 R222 E223 K229	F221-G225 PolarHBondContact O-N 3.05Å; R222-G225 PolarHBondContact O-N 2.88Å; E223-G225 VanDerWaalsContact C-N 3.29Å; E223-G225 PolarHBondContact O-N 3.01Å; G225-K229 VanDerWaalsContact O-CB 3.26Å; G225-K229 WeakPolarHBondContact O-CB 3.46Å; G225-K229 PolarHBondContact O-N 3.31Å
226	Y	98.6	Very high	97.8	Very high	110 Å²	110	50.5 Å²	50.5	43%	0.431	24%	0.241	S	C	.	.	H	α-helix	trans	-67.2	-45.7	174.8	-64.4	-48.9	0	0	0	112.2	F75 R222 E223 L224 L228 K229 D230	F75-Y226 AromaticContact CE1-CE1 3.98Å; F75-Y226 HydrophobicContact CE1-CE1 3.98Å; R222-Y226 VanDerWaalsContact CD-CZ 3.5Å; R222-Y226 HydrophobicContact CG-CD2 4.28Å; R222-Y226 HydrophobicContact CG-CE2 3.6Å; R222-Y226 VanDerWaalsContact O-CD2 3.27Å; R222-Y226 WeakPolarHBondContact O-CD2 3.25Å; R222-Y226 PolarHBondContact O-N 3.06Å; R222-Y226 VanDerWaalsContact O-N 3.15Å; E223-Y226 PolarHBondContact O-N 3.22Å; E223-Y226 VanDerWaalsContact O-N 3.15Å; L224-Y226 VanDerWaalsContact C-N 3.32Å; L224-Y226 PolarHBondContact O-N 3.49Å; Y226-L228 VanDerWaalsContact C-N 3.34Å; Y226-L228 PolarHBondContact O-N 3.24Å; Y226-K229 WeakPolarHBondContact O-CA 3.48Å; Y226-K229 WeakPolarHBondContact O-CB 3.38Å; Y226-K229 PolarHBondContact O-N 3.03Å; Y226-D230 PolarHBondContact O-N 2.95Å
227	I	98.6	Very high	97.8	Very high	52 Å²	52	50.9 Å²	50.9	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-46.8	178.1	-63.4	166.7	0	0	0	110.8	I191 N195 E223 L224 K229 D230 K231	I191-I227 HydrophobicContact CG2-CB 4.41Å; I191-I227 HydrophobicContact CG2-CG2 3.63Å; N195-I227 VanDerWaalsContact OD1-CD1 3.29Å; N195-I227 WeakPolarHBondContact OD1-CD1 3.14Å; E223-I227 WeakPolarHBondContact O-CG1 3.3Å; E223-I227 PolarHBondContact O-N 2.58Å; E223-I227 VanDerWaalsContact O-N 3.09Å; L224-I227 PolarHBondContact O-N 3.02Å; I227-K229 PolarHBondContact O-N 3.4Å; I227-D230 PolarHBondContact O-N 2.89Å; I227-K231 WeakPolarHBondContact O-CG 3.46Å; I227-K231 PolarHBondContact O-N 2.83Å
228	L	98.6	Very high	97.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-31	176	-79.3	167.6	0	0	0	112.1	F106 A109 I110 A113 I191 L224 Y226 D230 K231 Y232 L268	F106-L228 HydrophobicContact CD2-CB 4.17Å; F106-L228 WeakPolarHBondContact CD2-O 3.32Å; F106-L228 HydrophobicContact CE2-CB 3.66Å; F106-L228 HydrophobicContact CZ-CB 4.45Å; A109-L228 HydrophobicContact CB-CD2 3.82Å; I110-L228 HydrophobicContact CB-CD1 4.16Å; I110-L228 HydrophobicContact CD1-CD1 3.45Å; I110-L228 VanDerWaalsContact CD1-CD1 3.45Å; I110-L228 HydrophobicContact CG1-CD1 4.4Å; A113-L228 HydrophobicContact CB-CD1 4.44Å; I191-L228 HydrophobicContact CD1-CD2 3.53Å; I191-L228 HydrophobicContact CD1-CG 4.39Å; L224-L228 HydrophobicContact CG-CD1 4.28Å; L224-L228 WeakPolarHBondContact O-CB 3.29Å; L224-L228 PolarHBondContact O-N 3.33Å; Y226-L228 VanDerWaalsContact C-N 3.34Å; Y226-L228 PolarHBondContact O-N 3.24Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-K231 PolarHBondContact O-N 3.26Å; L228-Y232 WeakPolarHBondContact O-CB 3.28Å; L228-Y232 PolarHBondContact O-N 2.73Å; L228-L268 HydrophobicContact CD2-CD2 4.48Å
229	K	98.2	Very high	97.6	Very high	38 Å²	38	51.5 Å²	51.5	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-70.9	-33.9	178.2	-176.2	63.4	-176.7	79.6	0	111.6	Q76 F77 F106 G225 Y226 I227 Y232 N233	Q76-K229 HydrophobicContact CB-CD 4.24Å; Q76-K229 HydrophobicContact CG-CB 4.47Å; F77-K229 HydrophobicContact CE2-CD 3.89Å; F77-K229 HydrophobicContact CZ-CD 3.92Å; F106-K229 HydrophobicContact CE2-CB 4.21Å; G225-K229 VanDerWaalsContact O-CB 3.26Å; G225-K229 WeakPolarHBondContact O-CB 3.46Å; G225-K229 PolarHBondContact O-N 3.31Å; Y226-K229 WeakPolarHBondContact O-CA 3.48Å; Y226-K229 WeakPolarHBondContact O-CB 3.38Å; Y226-K229 PolarHBondContact O-N 3.03Å; I227-K229 PolarHBondContact O-N 3.4Å; K229-Y232 HydrophobicContact CD-CD1 4.18Å; K229-Y232 VanDerWaalsContact NZ-CD1 3.25Å; K229-Y232 WeakPolarHBondContact O-CB 3.46Å; K229-Y232 PolarHBondContact O-N 2.8Å; K229-N233 PolarHBondContact NZ-OD1 2.69Å; K229-N233 VanDerWaalsContact O-CG 3.29Å; K229-N233 PolarHBondContact O-N 3.32Å; K229-N233 PolarHBondContact O-ND2 3.4Å
230	D	98.3	Very high	97.3	Very high	92 Å²	92	52.6 Å²	52.6	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-67.7	-46.9	171.5	-66.6	-24.7	0	0	0	110.7	Y226 I227 L228 Y232 N233 E234	Y226-D230 PolarHBondContact O-N 2.95Å; I227-D230 PolarHBondContact O-N 2.89Å; L228-D230 VanDerWaalsContact C-N 3.34Å; D230-Y232 PolarHBondContact O-N 2.98Å; D230-N233 WeakPolarHBondContact O-CA 3.45Å; D230-N233 WeakPolarHBondContact O-CB 3.46Å; D230-N233 PolarHBondContact O-N 3.35Å; D230-E234 PolarHBondContact O-N 3.48Å; D230-E234 VanDerWaalsContact O-N 3.13Å
231	K	98.4	Very high	96.8	Very high	42 Å²	42	47 Å²	47	18%	0.183	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-31.9	172.3	-67.3	-62.4	-169.5	177.5	0	113.3	I191 I227 L228 E234 A235 L268	I191-K231 HydrophobicContact CD1-CG 3.98Å; I227-K231 WeakPolarHBondContact O-CG 3.46Å; I227-K231 PolarHBondContact O-N 2.83Å; L228-K231 PolarHBondContact O-N 3.26Å; K231-E234 CarbonylContact O-C 3.59Å; K231-E234 PolarHBondContact O-N 2.92Å; K231-A235 WeakPolarHBondContact O-CA 3.48Å; K231-A235 PolarHBondContact O-N 3.42Å; K231-L268 HydrophobicContact CB-CD1 4.08Å; K231-L268 HydrophobicContact CB-CG 3.98Å
232	Y	98.1	Very high	96.2	Very high	22 Å²	22	53.8 Å²	53.8	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-38.2	173.1	161.3	-83.4	0	0	0	112.5	F77 R102 E103 F106 L228 K229 D230 E234 A235	F77-Y232 HydrophobicContact CE1-CD1 4.41Å; F77-Y232 AromaticContact CE1-CE1 3.88Å; F77-Y232 HydrophobicContact CE1-CE1 3.88Å; F77-Y232 AromaticContact CE1-CE2 3.95Å; F77-Y232 HydrophobicContact CE1-CE2 3.95Å; F77-Y232 AromaticContact CE1-CZ 3.62Å; F77-Y232 HydrophobicContact CZ-CD1 4.02Å; F77-Y232 AromaticContact CZ-CD2 3.86Å; F77-Y232 HydrophobicContact CZ-CD2 3.86Å; F77-Y232 AromaticContact CZ-CE1 3.94Å; F77-Y232 HydrophobicContact CZ-CE1 3.94Å; F77-Y232 AromaticContact CZ-CE2 3.73Å; F77-Y232 HydrophobicContact CZ-CE2 3.73Å; F77-Y232 AromaticContact CZ-CG 3.98Å; F77-Y232 HydrophobicContact CZ-CG 3.98Å; F77-Y232 AromaticContact CZ-CZ 3.79Å; R102-Y232 HydrophobicContact CB-CD2 4.01Å; R102-Y232 HydrophobicContact CB-CE2 3.51Å; R102-Y232 WeakPolarHBondContact O-CD2 3.06Å; E103-Y232 HydrophobicContact CG-CE2 4.18Å; E103-Y232 PolarHBondContact OE1-OH 3.35Å; E103-Y232 VanDerWaalsContact OE1-OH 3.1Å; F106-Y232 HydrophobicContact CB-CD2 3.8Å; F106-Y232 HydrophobicContact CB-CG 4.4Å; F106-Y232 HydrophobicContact CD2-CG 4.47Å; L228-Y232 WeakPolarHBondContact O-CB 3.28Å; L228-Y232 PolarHBondContact O-N 2.73Å; K229-Y232 HydrophobicContact CD-CD1 4.18Å; K229-Y232 VanDerWaalsContact NZ-CD1 3.25Å; K229-Y232 WeakPolarHBondContact O-CB 3.46Å; K229-Y232 PolarHBondContact O-N 2.8Å; D230-Y232 PolarHBondContact O-N 2.98Å; Y232-E234 PolarHBondContact O-N 2.71Å; Y232-A235 VanDerWaalsContact O-CB 3.31Å; Y232-A235 WeakPolarHBondContact O-CB 3.36Å; Y232-A235 PolarHBondContact O-N 2.87Å
233	N	96.8	Very high	95.3	Very high	89 Å²	89	51.1 Å²	51.1	48%	0.476	25%	0.249	S	C	.	.	H	α-helix	trans	-66.4	-33.6	177.9	-62.6	-32.6	0	0	0	110.9	K229 D230	K229-N233 PolarHBondContact NZ-OD1 2.69Å; K229-N233 VanDerWaalsContact O-CG 3.29Å; K229-N233 PolarHBondContact O-N 3.32Å; K229-N233 PolarHBondContact O-ND2 3.4Å; D230-N233 WeakPolarHBondContact O-CA 3.45Å; D230-N233 WeakPolarHBondContact O-CB 3.46Å; D230-N233 PolarHBondContact O-N 3.35Å
234	E	96.9	Very high	93.9	Very high	135 Å²	135	54 Å²	54	63%	0.631	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	1.9	178.8	-62	177.5	172.5	0	0	114	D230 K231 Y232 V236	D230-E234 PolarHBondContact O-N 3.48Å; D230-E234 VanDerWaalsContact O-N 3.13Å; K231-E234 CarbonylContact O-C 3.59Å; K231-E234 PolarHBondContact O-N 2.92Å; Y232-E234 PolarHBondContact O-N 2.71Å; E234-V236 PolarHBondContact O-N 3.19Å
235	A	97.3	Very high	92.7	Very high	14 Å²	14	65.3 Å²	65.3	12%	0.116	32%	0.32	C	S	.	.			trans	-55.7	140.8	-172.5	0	0	0	0	0	112.2	R102 K231 Y232 L268 Y270	R102-A235 HydrophobicContact CG-CB 4.16Å; K231-A235 WeakPolarHBondContact O-CA 3.48Å; K231-A235 PolarHBondContact O-N 3.42Å; Y232-A235 VanDerWaalsContact O-CB 3.31Å; Y232-A235 WeakPolarHBondContact O-CB 3.36Å; Y232-A235 PolarHBondContact O-N 2.87Å; A235-L268 CarbonylContact C-O 3.59Å; A235-L268 VanDerWaalsContact CA-O 3.25Å; A235-L268 WeakPolarHBondContact CA-O 3.38Å; A235-L268 HydrophobicContact CB-CB 4.02Å; A235-L268 WeakPolarHBondContact CB-O 3.44Å; A235-Y270 HydrophobicContact CB-CD1 4.17Å; A235-Y270 HydrophobicContact CB-CE1 4.43Å; A235-Y270 WeakPolarHBondContact O-CE1 3.35Å
236	V	95.6	Very high	91.3	Very high	36 Å²	36	70.8 Å²	70.8	22%	0.218	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.4	-172.6	-63.3	0	0	0	0	112.1	E234 V238 I254 P263 L268 V269 Y270	E234-V236 PolarHBondContact O-N 3.19Å; V236-V238 HydrophobicContact CG2-CG1 4.18Å; V236-I254 HydrophobicContact CG2-CG1 4.3Å; V236-P263 HydrophobicContact CG2-CB 4.32Å; V236-L268 PolarHBondContact N-O 2.84Å; V236-V269 HydrophobicContact CG2-CG1 3.85Å; V236-V269 WeakPolarHBondContact O-CA 3.49Å; V236-Y270 VanDerWaalsContact C-CE1 3.41Å; V236-Y270 VanDerWaalsContact O-CD1 3.29Å; V236-Y270 WeakPolarHBondContact O-CD1 3.43Å; V236-Y270 PolarHBondContact O-N 2.9Å
237	Q	96.7	Very high	89.9	Confident	40 Å²	40	73.9 Å²	73.9	19%	0.187	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.8	172.8	-164	169.6	17.6	0	0	109.5	K255 Y270 I271	Q237-K255 HydrophobicContact CB-CB 4.31Å; Q237-K255 HydrophobicContact CG-CB 4.32Å; Q237-K255 HydrophobicContact CG-CD 3.96Å; Q237-K255 WeakPolarHBondContact O-CB 3.44Å; Q237-K255 PolarHBondContact O-N 3.47Å; Q237-Y270 CarbonylContact C-O 3.5Å; Q237-Y270 VanDerWaalsContact CA-O 3.31Å; Q237-Y270 WeakPolarHBondContact CA-O 2.99Å; Q237-Y270 HydrophobicContact CB-CD2 4.24Å; Q237-Y270 HydrophobicContact CB-CE1 4.05Å; Q237-Y270 HydrophobicContact CB-CE2 3.63Å; Q237-Y270 HydrophobicContact CG-CD2 3.97Å; Q237-Y270 HydrophobicContact CG-CE2 3.6Å; Q237-I271 PolarHBondContact NE2-O 3.45Å
238	V	96	Very high	88.8	Confident	2 Å²	2	78 Å²	78	1%	0.012	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.2	-179.5	-61.4	0	0	0	0	111.6	V236 L252 K253 P263 V269 Y270 I271	V236-V238 HydrophobicContact CG2-CG1 4.18Å; V238-L252 HydrophobicContact CB-CB 4.24Å; V238-L252 HydrophobicContact CG2-CB 4.22Å; V238-L252 HydrophobicContact CG2-CD1 4.04Å; V238-L252 HydrophobicContact CG2-CD2 4.18Å; V238-L252 HydrophobicContact CG2-CG 4.37Å; V238-K253 CarbonylContact C-O 3.55Å; V238-K253 WeakPolarHBondContact CA-O 3.2Å; V238-K253 VanDerWaalsContact CB-O 3.22Å; V238-K253 WeakPolarHBondContact CB-O 3.42Å; V238-P263 HydrophobicContact CG1-CG 4.43Å; V238-V269 HydrophobicContact CG1-CB 3.83Å; V238-V269 HydrophobicContact CG1-CG1 3.84Å; V238-V269 HydrophobicContact CG2-CB 3.9Å; V238-V269 HydrophobicContact CG2-CG2 4.29Å; V238-Y270 PolarHBondContact N-O 3.26Å; V238-I271 HydrophobicContact CG2-CG2 3.83Å
239	E	93.9	Very high	87.9	Confident	65 Å²	65	79 Å²	79	30%	0.304	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.9	171.7	65.5	-177.8	-173.3	0	0	111.2	K253	E239-K253 HydrophobicContact CG-CD 4.42Å; E239-K253 VanDerWaalsContact CG-CE 3.45Å; E239-K253 HydrophobicContact CG-CG 3.95Å; E239-K253 PolarHBondContact N-O 3.37Å; E239-K253 PolarHBondContact O-N 3.11Å; E239-K253 WeakPolarHBondContact OE1-CE 3.11Å; E239-K253 IonicContact OE1-NZ 3.7Å; E239-K253 PolarHBondContact OE1-NZ 3.33Å
240	P	91.7	Very high	87.2	Confident	29 Å²	29	80.7 Å²	80.7	19%	0.188	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133	179.3	29.6	-35.7	0	0	0	111.2	A176 P249 L252	A176-P240 HydrophobicContact CB-CB 3.83Å; A176-P240 HydrophobicContact CB-CG 3.71Å; P240-P249 HydrophobicContact CB-CB 3.65Å; P240-L252 HydrophobicContact CB-CD2 4.41Å
241	V	88.2	Confident	86.7	Confident	36 Å²	36	79.4 Å²	79.4	22%	0.218	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125	165.6	-176.7	0	0	0	0	108.5	P249 T250 F251 K253	V241-P249 WeakPolarHBondContact O-CA 3.48Å; V241-T250 PolarHBondContact O-N 3.15Å; V241-T250 PolarHBondContact O-OG1 3.04Å; V241-F251 HydrophobicContact CB-CD2 4.07Å; V241-F251 HydrophobicContact CB-CE1 4.08Å; V241-F251 HydrophobicContact CB-CE2 3.54Å; V241-F251 HydrophobicContact CB-CZ 3.56Å; V241-F251 HydrophobicContact CG1-CE1 4.05Å; V241-F251 HydrophobicContact CG1-CE2 4.06Å; V241-F251 HydrophobicContact CG1-CZ 3.57Å; V241-F251 HydrophobicContact CG2-CD2 3.99Å; V241-F251 HydrophobicContact CG2-CE2 3.3Å; V241-F251 HydrophobicContact CG2-CZ 3.74Å; V241-F251 PolarHBondContact N-O 3.24Å; V241-K253 HydrophobicContact CG2-CB 4.07Å; V241-K253 HydrophobicContact CG2-CD 3.58Å; V241-K253 HydrophobicContact CG2-CG 3.62Å
242	R	84.9	Confident	86.4	Confident	164 Å²	164	78 Å²	78	62%	0.619	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.2	-178.6	-66	-176.7	174.1	97.6	-2.9	110.2	K247	R242-K247 WeakPolarHBondContact CD-O 3.46Å
243	A	78.6	Confident	86.1	Confident	39 Å²	39	79.9 Å²	79.9	32%	0.322	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68.5	136	171.7	0	0	0	0	0	110.7	R245 N246 K247 R248 T250	A243-R245 VanDerWaalsContact C-N 3.28Å; A243-R245 PolarHBondContact O-N 3.41Å; A243-N246 PolarHBondContact O-N 3.29Å; A243-K247 PolarHBondContact O-N 2.92Å; A243-K247 VanDerWaalsContact O-N 3.12Å; A243-R248 PolarHBondContact N-O 3.43Å; A243-R248 VanDerWaalsContact N-O 3.14Å; A243-T250 HydrophobicContact CB-CG2 3.84Å
244	S	70.8	Confident	86	Confident	128 Å²	128	76.9 Å²	76.9	90%	0.895	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-37.2	-174.4	-168.8	0	0	0	0	113.5
245	R	72.1	Confident	85.6	Confident	239 Å²	239	74.3 Å²	74.3	90%	0.902	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-30.5	-175.8	-75.6	-176.3	177.9	168.6	-0.1	115.7	A243	A243-R245 VanDerWaalsContact C-N 3.28Å; A243-R245 PolarHBondContact O-N 3.41Å
246	N	68.6	Low	84.9	Confident	115 Å²	115	82.9 Å²	82.9	62%	0.615	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-3	-169.6	-75.9	-4.6	0	0	0	114.6	A243 R248	A243-N246 PolarHBondContact O-N 3.29Å; N246-R248 HydrophobicContact CB-CB 4.49Å; N246-R248 HydrophobicContact CB-CG 4.33Å; N246-R248 WeakPolarHBondContact O-CG 3.43Å; N246-R248 PolarHBondContact O-N 3.29Å
247	K	69.5	Low	83.9	Confident	174 Å²	174	83.4 Å²	83.4	76%	0.757	40%	0.4	S	S	*	.			trans	51.2	2.9	-171.9	-65.4	-173.8	179.4	179.8	0	115.4	R242 A243	R242-K247 WeakPolarHBondContact CD-O 3.46Å; A243-K247 PolarHBondContact O-N 2.92Å; A243-K247 VanDerWaalsContact O-N 3.12Å
248	R	75.3	Confident	83	Confident	138 Å²	138	90.8 Å²	90.8	52%	0.521	44%	0.439	S	S	.	.			trans	-74.9	136.5	177	-67.9	-174.7	-173.4	-174	6	109.5	A243 N246 T250	A243-R248 PolarHBondContact N-O 3.43Å; A243-R248 VanDerWaalsContact N-O 3.14Å; N246-R248 HydrophobicContact CB-CB 4.49Å; N246-R248 HydrophobicContact CB-CG 4.33Å; N246-R248 WeakPolarHBondContact O-CG 3.43Å; N246-R248 PolarHBondContact O-N 3.29Å; R248-T250 PolarHBondContact O-N 3.15Å
249	P	79.4	Confident	82.1	Confident	21 Å²	21	94.8 Å²	94.8	14%	0.136	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.7	174.7	31.9	-34.1	0	0	0	109.2	L179 P240 V241	L179-P249 HydrophobicContact CD1-CB 3.79Å; L179-P249 HydrophobicContact CD1-CG 4.18Å; P240-P249 HydrophobicContact CB-CB 3.65Å; V241-P249 WeakPolarHBondContact O-CA 3.48Å
250	T	83.8	Confident	81.6	Confident	75 Å²	75	98 Å²	98	46%	0.46	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-39.3	-178	46.8	0	0	0	0	112.4	V241 A243 R248	V241-T250 PolarHBondContact O-N 3.15Å; V241-T250 PolarHBondContact O-OG1 3.04Å; A243-T250 HydrophobicContact CB-CG2 3.84Å; R248-T250 PolarHBondContact O-N 3.15Å
251	F	87.8	Confident	81.5	Confident	64 Å²	64	103.5 Å²	103.5	28%	0.281	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	170	178.2	61.6	-94.7	0	0	0	110.8	V241 Y260	V241-F251 HydrophobicContact CB-CD2 4.07Å; V241-F251 HydrophobicContact CB-CE1 4.08Å; V241-F251 HydrophobicContact CB-CE2 3.54Å; V241-F251 HydrophobicContact CB-CZ 3.56Å; V241-F251 HydrophobicContact CG1-CE1 4.05Å; V241-F251 HydrophobicContact CG1-CE2 4.06Å; V241-F251 HydrophobicContact CG1-CZ 3.57Å; V241-F251 HydrophobicContact CG2-CD2 3.99Å; V241-F251 HydrophobicContact CG2-CE2 3.3Å; V241-F251 HydrophobicContact CG2-CZ 3.74Å; V241-F251 PolarHBondContact N-O 3.24Å; F251-Y260 AromaticContact CE2-CE2 3.72Å; F251-Y260 HydrophobicContact CE2-CE2 3.72Å; F251-Y260 AromaticContact CE2-CZ 3.68Å; F251-Y260 WeakPolarHBondContact CE2-OH 3.49Å; F251-Y260 HydrophobicContact CZ-CE2 4.08Å; F251-Y260 WeakPolarHBondContact CZ-OH 3.18Å
252	L	92	Very high	81.7	Confident	14 Å²	14	107.3 Å²	107.3	7%	0.073	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141	177.4	-60.4	172.1	0	0	0	110.5	L179 M180 V238 P240 V269	L179-L252 HydrophobicContact CB-CD1 3.97Å; L179-L252 HydrophobicContact CB-CD2 4.12Å; L179-L252 HydrophobicContact CB-CG 3.94Å; L179-L252 HydrophobicContact CD1-CD2 4.4Å; M180-L252 HydrophobicContact CB-CD1 4.24Å; V238-L252 HydrophobicContact CB-CB 4.24Å; V238-L252 HydrophobicContact CG2-CB 4.22Å; V238-L252 HydrophobicContact CG2-CD1 4.04Å; V238-L252 HydrophobicContact CG2-CD2 4.18Å; V238-L252 HydrophobicContact CG2-CG 4.37Å; P240-L252 HydrophobicContact CB-CD2 4.41Å; L252-V269 HydrophobicContact CD1-CG2 4.26Å
253	K	93.4	Very high	82.2	Confident	61 Å²	61	100.4 Å²	100.4	27%	0.265	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154.1	168.3	66.6	172.4	-179.4	161.3	0	109.7	V238 E239 V241 Y260	V238-K253 CarbonylContact C-O 3.55Å; V238-K253 WeakPolarHBondContact CA-O 3.2Å; V238-K253 VanDerWaalsContact CB-O 3.22Å; V238-K253 WeakPolarHBondContact CB-O 3.42Å; E239-K253 HydrophobicContact CG-CD 4.42Å; E239-K253 VanDerWaalsContact CG-CE 3.45Å; E239-K253 HydrophobicContact CG-CG 3.95Å; E239-K253 PolarHBondContact N-O 3.37Å; E239-K253 PolarHBondContact O-N 3.11Å; E239-K253 WeakPolarHBondContact OE1-CE 3.11Å; E239-K253 IonicContact OE1-NZ 3.7Å; E239-K253 PolarHBondContact OE1-NZ 3.33Å; V241-K253 HydrophobicContact CG2-CB 4.07Å; V241-K253 HydrophobicContact CG2-CD 3.58Å; V241-K253 HydrophobicContact CG2-CG 3.62Å; K253-Y260 HydrophobicContact CB-CE2 4.16Å; K253-Y260 HydrophobicContact CD-CD2 4.25Å; K253-Y260 HydrophobicContact CD-CE2 4.35Å
254	I	93.7	Very high	82.9	Confident	26 Å²	26	102.6 Å²	102.6	13%	0.133	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	139.8	173.7	-62	172	0	0	0	108.7	V236 P257 R261	V236-I254 HydrophobicContact CG2-CG1 4.3Å; I254-P257 HydrophobicContact CB-CG 4.25Å; I254-P257 HydrophobicContact CG2-CB 4.4Å; I254-P257 HydrophobicContact CG2-CG 4.44Å; I254-P257 WeakPolarHBondContact O-CD 3.5Å; I254-P257 WeakPolarHBondContact O-CG 3.39Å; I254-R261 HydrophobicContact CD1-CB 4.24Å; I254-R261 HydrophobicContact CD1-CG 3.98Å; I254-R261 PolarHBondContact N-O 2.96Å
255	K	88.8	Confident	84.1	Confident	81 Å²	81	100.5 Å²	100.5	35%	0.352	47%	0.468	S	S	.	.	S	Bend	trans	-85.4	131	178.6	-170.1	178.3	-176.4	174.3	0	109.7	Q237	Q237-K255 HydrophobicContact CB-CB 4.31Å; Q237-K255 HydrophobicContact CG-CB 4.32Å; Q237-K255 HydrophobicContact CG-CD 3.96Å; Q237-K255 WeakPolarHBondContact O-CB 3.44Å; Q237-K255 PolarHBondContact O-N 3.47Å
256	K	82.4	Confident	85.3	Confident	193 Å²	193	89.8 Å²	89.8	84%	0.839	43%	0.429	S	S	*	.	S	Bend	trans	61.1	32.9	-176.3	-57.4	177	173.7	-171.2	0	117.9
257	P	75.4	Confident	86.7	Confident	48 Å²	48	85.4 Å²	85.4	31%	0.312	41%	0.406	S	S	.	.			trans	-75.5	145.6	168	35.9	-37.3	0	0	0	109.6	I254 S259 R261	I254-P257 HydrophobicContact CB-CG 4.25Å; I254-P257 HydrophobicContact CG2-CB 4.4Å; I254-P257 HydrophobicContact CG2-CG 4.44Å; I254-P257 WeakPolarHBondContact O-CD 3.5Å; I254-P257 WeakPolarHBondContact O-CG 3.39Å; P257-S259 WeakPolarHBondContact CB-O 3.14Å; P257-S259 WeakPolarHBondContact CG-O 3.26Å; P257-S259 PolarHBondContact O-N 3.35Å; P257-S259 VanDerWaalsContact O-N 3.16Å; P257-R261 HydrophobicContact CB-CB 4.49Å
258	L	76	Confident	88.1	Confident	194 Å²	194	77.1 Å²	77.1	100%	1.016	37%	0.37	S	S	*	.	S	Bend	trans	-56.3	-27	173.5	-74.5	160.6	0	0	0	111.8
259	S	78.1	Confident	89.1	Confident	87 Å²	87	70.6 Å²	70.6	61%	0.608	35%	0.345	S	S	*	.	S	Bend	trans	-136	158.9	176.9	61.7	0	0	0	0	111	P257 R261	P257-S259 WeakPolarHBondContact CB-O 3.14Å; P257-S259 WeakPolarHBondContact CG-O 3.26Å; P257-S259 PolarHBondContact O-N 3.35Å; P257-S259 VanDerWaalsContact O-N 3.16Å; S259-R261 PolarHBondContact O-N 3.28Å; S259-R261 VanDerWaalsContact O-N 3.12Å
260	Y	83.1	Confident	90	Very high	132 Å²	132	71.3 Å²	71.3	52%	0.518	35%	0.345	S	S	.	.			trans	-59.3	119	176.2	173.9	-87.7	0	0	0	110.8	F251 K253 K262	F251-Y260 AromaticContact CE2-CE2 3.72Å; F251-Y260 HydrophobicContact CE2-CE2 3.72Å; F251-Y260 AromaticContact CE2-CZ 3.68Å; F251-Y260 WeakPolarHBondContact CE2-OH 3.49Å; F251-Y260 HydrophobicContact CZ-CE2 4.08Å; F251-Y260 WeakPolarHBondContact CZ-OH 3.18Å; K253-Y260 HydrophobicContact CB-CE2 4.16Å; K253-Y260 HydrophobicContact CD-CD2 4.25Å; K253-Y260 HydrophobicContact CD-CE2 4.35Å; Y260-K262 HydrophobicContact CE1-CG 4.21Å; Y260-K262 WeakPolarHBondContact OH-CE 3.42Å
261	R	90.8	Very high	90.6	Very high	144 Å²	144	69.3 Å²	69.3	54%	0.543	33%	0.331	S	S	.	.			trans	-138.1	132.6	178.1	-169	176.6	175.1	177.6	-1.2	111	I254 P257 S259	I254-R261 HydrophobicContact CD1-CB 4.24Å; I254-R261 HydrophobicContact CD1-CG 3.98Å; I254-R261 PolarHBondContact N-O 2.96Å; P257-R261 HydrophobicContact CB-CB 4.49Å; S259-R261 PolarHBondContact O-N 3.28Å; S259-R261 VanDerWaalsContact O-N 3.12Å
262	K	91.9	Very high	91	Very high	117 Å²	117	70.6 Å²	70.6	51%	0.509	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-85.4	146.8	169.4	-70.1	-175.2	178.8	179.2	0	109.9	Y260	Y260-K262 HydrophobicContact CE1-CG 4.21Å; Y260-K262 WeakPolarHBondContact OH-CE 3.42Å
263	P	94.1	Very high	91.1	Very high	19 Å²	19	77.8 Å²	77.8	12%	0.123	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-62.2	151	169.1	29.3	-35	0	0	0	110.2	V236 V238 D267 V269	V236-P263 HydrophobicContact CG2-CB 4.32Å; V238-P263 HydrophobicContact CG1-CG 4.43Å; P263-D267 HydrophobicContact CB-CB 4.23Å; P263-V269 HydrophobicContact CB-CG1 3.55Å; P263-V269 HydrophobicContact CG-CG1 3.89Å
264	M	95.1	Very high	91.1	Very high	84 Å²	84	76.5 Å²	76.5	41%	0.414	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-69	158.5	169.5	-54.8	-170.4	-57.2	0	0	109.8	H183 T266 D267	H183-M264 PolarHBondContact CE1-O 2.78Å; H183-M264 PolarHBondContact NE2-O 3.25Å; M264-T266 PolarHBondContact O-N 2.97Å; M264-D267 HydrophobicContact CB-CB 4.4Å; M264-D267 WeakPolarHBondContact CB-OD2 2.99Å; M264-D267 WeakPolarHBondContact CE-OD1 3.44Å; M264-D267 WeakPolarHBondContact CG-OD2 3.4Å; M264-D267 PolarHBondContact N-OD2 2.76Å; M264-D267 WeakPolarHBondContact O-CB 3.41Å; M264-D267 PolarHBondContact O-N 3.4Å; M264-D267 VanDerWaalsContact O-N 3.14Å
265	D	95.3	Very high	91.1	Very high	84 Å²	84	76.6 Å²	76.6	45%	0.449	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.3	176.2	58	-11.3	0	0	0	112.9	A187	A187-D265 WeakPolarHBondContact CA-O 3.38Å; A187-D265 WeakPolarHBondContact CB-O 3.41Å
266	T	97	Very high	91.3	Very high	14 Å²	14	77.8 Å²	77.8	9%	0.086	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.8	174	59	0	0	0	0	114.6	K190 I191 M264	K190-T266 HydrophobicContact CB-CG2 4.38Å; K190-T266 HydrophobicContact CG-CG2 3.79Å; I191-T266 HydrophobicContact CG1-CG2 4.14Å; M264-T266 PolarHBondContact O-N 2.97Å
267	D	97.8	Very high	91.8	Very high	23 Å²	23	69.5 Å²	69.5	12%	0.123	34%	0.344	C	S	.	.	S	Bend	trans	-79.1	136.7	176.6	-70.7	-21.9	0	0	0	110.7	H183 P263 M264	H183-D267 PolarHBondContact CD2-O 3.43Å; H183-D267 VanDerWaalsContact CD2-O 3.29Å; H183-D267 PolarHBondContact NE2-O 3.45Å; P263-D267 HydrophobicContact CB-CB 4.23Å; M264-D267 HydrophobicContact CB-CB 4.4Å; M264-D267 WeakPolarHBondContact CB-OD2 2.99Å; M264-D267 WeakPolarHBondContact CE-OD1 3.44Å; M264-D267 WeakPolarHBondContact CG-OD2 3.4Å; M264-D267 PolarHBondContact N-OD2 2.76Å; M264-D267 WeakPolarHBondContact O-CB 3.41Å; M264-D267 PolarHBondContact O-N 3.4Å; M264-D267 VanDerWaalsContact O-N 3.14Å
268	L	98.5	Very high	92.6	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	33%	0.331	C	S	.	.			trans	-82.1	134.5	165.7	-63.1	-173.2	0	0	0	110.2	A105 F106 A109 N184 A187 L228 K231 A235 V236	A105-L268 HydrophobicContact CB-CB 4.29Å; F106-L268 HydrophobicContact CB-CD1 4.36Å; F106-L268 HydrophobicContact CD2-CD1 4.44Å; A109-L268 HydrophobicContact CB-CD2 3.53Å; N184-L268 WeakPolarHBondContact OD1-CA 3.4Å; A187-L268 HydrophobicContact CB-CD2 4.03Å; L228-L268 HydrophobicContact CD2-CD2 4.48Å; K231-L268 HydrophobicContact CB-CD1 4.08Å; K231-L268 HydrophobicContact CB-CG 3.98Å; A235-L268 CarbonylContact C-O 3.59Å; A235-L268 VanDerWaalsContact CA-O 3.25Å; A235-L268 WeakPolarHBondContact CA-O 3.38Å; A235-L268 HydrophobicContact CB-CB 4.02Å; A235-L268 WeakPolarHBondContact CB-O 3.44Å; V236-L268 PolarHBondContact N-O 2.84Å
269	V	98	Very high	93.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142	-173.2	-57.6	0	0	0	0	111.9	A105 M180 H183 N184 V236 V238 L252 P263	A105-V269 VanDerWaalsContact CB-O 3.25Å; A105-V269 WeakPolarHBondContact CB-O 3.42Å; M180-V269 HydrophobicContact CG-CG2 3.84Å; M180-V269 VanDerWaalsContact CG-O 3.3Å; M180-V269 WeakPolarHBondContact CG-O 3.34Å; H183-V269 HydrophobicContact CB-CG2 3.97Å; H183-V269 VanDerWaalsContact CD2-CG2 3.42Å; H183-V269 WeakPolarHBondContact CD2-CG2 3.26Å; N184-V269 PolarHBondContact ND2-O 3.47Å; N184-V269 PolarHBondContact OD1-N 3.35Å; V236-V269 HydrophobicContact CG2-CG1 3.85Å; V236-V269 WeakPolarHBondContact O-CA 3.49Å; V238-V269 HydrophobicContact CG1-CB 3.83Å; V238-V269 HydrophobicContact CG1-CG1 3.84Å; V238-V269 HydrophobicContact CG2-CB 3.9Å; V238-V269 HydrophobicContact CG2-CG2 4.29Å; L252-V269 HydrophobicContact CD1-CG2 4.26Å; P263-V269 HydrophobicContact CB-CG1 3.55Å; P263-V269 HydrophobicContact CG-CG1 3.89Å
270	Y	97.6	Very high	94	Very high	36 Å²	36	66.2 Å²	66.2	14%	0.141	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.3	177.1	69.9	-85.4	0	0	0	112	R102 M180 A235 V236 Q237 V238 E272	R102-Y270 HydrophobicContact CG-CD1 3.32Å; R102-Y270 HydrophobicContact CG-CD2 4.22Å; R102-Y270 HydrophobicContact CG-CE1 3.51Å; R102-Y270 HydrophobicContact CG-CE2 4.38Å; R102-Y270 HydrophobicContact CG-CG 3.67Å; M180-Y270 VanDerWaalsContact SD-CA 3.54Å; A235-Y270 HydrophobicContact CB-CD1 4.17Å; A235-Y270 HydrophobicContact CB-CE1 4.43Å; A235-Y270 WeakPolarHBondContact O-CE1 3.35Å; V236-Y270 VanDerWaalsContact C-CE1 3.41Å; V236-Y270 VanDerWaalsContact O-CD1 3.29Å; V236-Y270 WeakPolarHBondContact O-CD1 3.43Å; V236-Y270 PolarHBondContact O-N 2.9Å; Q237-Y270 CarbonylContact C-O 3.5Å; Q237-Y270 VanDerWaalsContact CA-O 3.31Å; Q237-Y270 WeakPolarHBondContact CA-O 2.99Å; Q237-Y270 HydrophobicContact CB-CD2 4.24Å; Q237-Y270 HydrophobicContact CB-CE1 4.05Å; Q237-Y270 HydrophobicContact CB-CE2 3.63Å; Q237-Y270 HydrophobicContact CG-CD2 3.97Å; Q237-Y270 HydrophobicContact CG-CE2 3.6Å; V238-Y270 PolarHBondContact N-O 3.26Å; Y270-E272 WeakPolarHBondContact CD2-O 3.35Å
271	I	96.2	Very high	94.2	Very high	33 Å²	33	62.3 Å²	62.3	17%	0.169	30%	0.299	C	S	.	.	S	Bend	trans	-104.4	-27.6	-178.5	57.8	177.3	0	0	0	112.4	G100 A176 R177 M180 Q237 V238	G100-I271 PolarHBondContact O-N 2.88Å; A176-I271 HydrophobicContact CB-CD1 4.35Å; R177-I271 HydrophobicContact CB-CD1 4.24Å; M180-I271 HydrophobicContact CB-CG2 4.37Å; M180-I271 HydrophobicContact CG-CG2 4.27Å; M180-I271 HydrophobicContact SD-CB 4.18Å; M180-I271 HydrophobicContact SD-CD1 4.31Å; M180-I271 HydrophobicContact SD-CG1 3.69Å; M180-I271 HydrophobicContact SD-CG2 3.95Å; M180-I271 PolarHBondContact SD-N 3.07Å; M180-I271 VanDerWaalsContact SD-N 3.42Å; Q237-I271 PolarHBondContact NE2-O 3.45Å; V238-I271 HydrophobicContact CG2-CG2 3.83Å
272	E	95.3	Very high	93.8	Very high	92 Å²	92	60 Å²	60	43%	0.43	30%	0.302	S	S	.	.	S	Bend	trans	-121.9	145.8	-175.5	-71.9	171	102.7	0	0	111.4	V99 G100 S101 Y270	V99-E272 HydrophobicContact CG1-CB 3.84Å; G100-E272 PolarHBondContact N-OE2 3.03Å; G100-E272 PolarHBondContact O-N 3.27Å; S101-E272 WeakPolarHBondContact CA-O 3.02Å; Y270-E272 WeakPolarHBondContact CD2-O 3.35Å
273	K	94.8	Very high	93.4	Very high	164 Å²	164	59.6 Å²	59.6	71%	0.713	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-64.9	145.2	175.4	-68.7	-175.2	176.8	-176.8	0	109.9
274	S	94.4	Very high	92.9	Very high	34 Å²	34	59.8 Å²	59.8	24%	0.238	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-57.1	133.8	173.4	-56.3	0	0	0	0	110.1	E103	E103-S274 VanDerWaalsContact CD-OG 3.28Å; E103-S274 WeakPolarHBondContact OE1-CB 3.22Å; E103-S274 PolarHBondContact OE1-OG 3.43Å; E103-S274 WeakPolarHBondContact OE2-CB 3.38Å; E103-S274 PolarHBondContact OE2-OG 2.66Å
275	P	93.1	Very high	92.1	Very high	29 Å²	29	57 Å²	57	19%	0.188	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-69.4	173.9	175.8	32.1	-37.3	0	0	0	111.3	Y277 T284	P275-Y277 WeakPolarHBondContact CD-OH 3.25Å; P275-Y277 HydrophobicContact CG-CD1 4.31Å; P275-Y277 HydrophobicContact CG-CE1 3.65Å; P275-Y277 HydrophobicContact CG-CE2 4.29Å; P275-Y277 PolarHBondContact O-N 3.41Å; P275-T284 HydrophobicContact CB-CG2 3.58Å; P275-T284 HydrophobicContact CG-CG2 4.12Å
276	N	91.7	Very high	91.7	Very high	105 Å²	105	53.3 Å²	53.3	56%	0.561	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-78.6	118	170.1	-173	-5.6	0	0	0	109.7	C278	N276-C278 VanDerWaalsContact OD1-CB 3.23Å; N276-C278 WeakPolarHBondContact OD1-CB 3.35Å; N276-C278 PolarHBondContact OD1-N 3.38Å; N276-C278 PolarHBondContact OD1-SG 3.08Å
277	Y	92.9	Very high	91.3	Very high	20 Å²	20	55.9 Å²	55.9	8%	0.078	30%	0.299	C	S	.	.			trans	-91.4	9.1	-179.9	-62.6	-68.8	0	0	0	114.5	W82 E103 P275 S286	W82-Y277 HydrophobicContact CB-CD1 3.99Å; W82-Y277 HydrophobicContact CB-CD2 3.77Å; W82-Y277 HydrophobicContact CB-CE1 4.08Å; W82-Y277 HydrophobicContact CB-CE2 3.85Å; W82-Y277 HydrophobicContact CB-CG 3.83Å; W82-Y277 AromaticContact CD1-CD1 3.9Å; W82-Y277 AromaticContact CD1-CE1 3.51Å; W82-Y277 AromaticContact CD1-CZ 3.9Å; W82-Y277 HydrophobicContact CG-CD1 4.32Å; W82-Y277 HydrophobicContact CG-CE1 4.03Å; W82-Y277 HydrophobicContact CG-CE2 4.36Å; E103-Y277 HydrophobicContact CG-CE2 4.15Å; E103-Y277 PolarHBondContact OE2-OH 3.08Å; P275-Y277 WeakPolarHBondContact CD-OH 3.25Å; P275-Y277 HydrophobicContact CG-CD1 4.31Å; P275-Y277 HydrophobicContact CG-CE1 3.65Å; P275-Y277 HydrophobicContact CG-CE2 4.29Å; P275-Y277 PolarHBondContact O-N 3.41Å; Y277-S286 WeakPolarHBondContact CA-OG 3.41Å
278	C	93.2	Very high	91	Very high	7 Å²	7	55.1 Å²	55.1	5%	0.047	30%	0.296	C	S	.	.	S	Bend	trans	-71.4	-41	-177.9	-68.8	0	0	0	0	113.5	N276 G288 T289 C309 R311	N276-C278 VanDerWaalsContact OD1-CB 3.23Å; N276-C278 WeakPolarHBondContact OD1-CB 3.35Å; N276-C278 PolarHBondContact OD1-N 3.38Å; N276-C278 PolarHBondContact OD1-SG 3.08Å; C278-G288 WeakPolarHBondContact O-CA 3.38Å; C278-T289 PolarHBondContact O-N 2.97Å; C278-T289 PolarHBondContact O-OG1 3.4Å; C278-C309 HydrophobicContact CB-CB 3.62Å; C278-C309 WeakPolarHBondContact CB-SG 3.45Å; C278-C309 WeakPolarHBondContact SG-CB 3.26Å; C278-C309 CovalentContact SG-SG 2.01Å; C278-C309 PolarHBondContact SG-SG 2.92Å; C278-R311 PolarHBondContact O-NH1 3.25Å
279	E	92.6	Very high	90.8	Very high	104 Å²	104	55 Å²	55	49%	0.486	30%	0.296	S	S	.	.	S	Bend	trans	-107.4	156.2	-178.1	-57.9	-53.3	140.7	0	0	110.2	D281 S286 G288 R311	E279-D281 PolarHBondContact O-N 2.91Å; E279-S286 WeakPolarHBondContact O-CB 3.37Å; E279-S286 PolarHBondContact O-OG 3.07Å; E279-G288 VanDerWaalsContact C-CA 3.46Å; E279-R311 IonicContact OE1-CZ 3.04Å; E279-R311 IonicContact OE1-NE 2.69Å; E279-R311 IonicContact OE1-NH1 3.96Å; E279-R311 PolarHBondContact OE1-NH1 3.1Å
280	E	90.2	Very high	90.6	Very high	149 Å²	149	61.9 Å²	61.9	70%	0.696	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	130.1	171.9	-171.9	177.1	178.1	0	0	109.4	S286	E280-S286 WeakPolarHBondContact CA-O 3.19Å
281	D	88	Confident	90.3	Very high	50 Å²	50	62.6 Å²	62.6	27%	0.267	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	105.2	176.9	173.2	14.4	0	0	0	110.1	E279 V283 T284 G285 S286	E279-D281 PolarHBondContact O-N 2.91Å; D281-V283 PolarHBondContact O-N 2.94Å; D281-V283 WeakPolarHBondContact OD1-CA 3.44Å; D281-V283 VanDerWaalsContact OD1-CB 3.25Å; D281-V283 WeakPolarHBondContact OD1-CB 3.44Å; D281-V283 PolarHBondContact OD1-N 3Å; D281-T284 WeakPolarHBondContact CB-OG1 3.37Å; D281-T284 VanDerWaalsContact CG-OG1 3.22Å; D281-T284 PolarHBondContact O-N 3.37Å; D281-T284 PolarHBondContact O-OG1 2.95Å; D281-T284 WeakPolarHBondContact OD2-CB 3.39Å; D281-T284 WeakPolarHBondContact OD2-CG2 3.47Å; D281-T284 PolarHBondContact OD2-N 3.03Å; D281-T284 PolarHBondContact OD2-OG1 3.43Å; D281-G285 WeakPolarHBondContact O-CA 3.35Å; D281-G285 PolarHBondContact O-N 3.33Å; D281-S286 PolarHBondContact N-O 3.09Å; D281-S286 PolarHBondContact O-N 3.12Å
282	P	83.3	Confident	90.1	Very high	96 Å²	96	62.8 Å²	62.8	62%	0.623	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.7	178.1	-23.6	34	0	0	0	114.6	K98	K98-P282 PolarHBondContact NZ-O 3.31Å
283	V	83.4	Confident	89.9	Confident	107 Å²	107	64.6 Å²	64.6	65%	0.648	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-47.3	179.9	-177.4	0	0	0	0	110	K98 D281	K98-V283 WeakPolarHBondContact CD-O 3.27Å; D281-V283 PolarHBondContact O-N 2.94Å; D281-V283 WeakPolarHBondContact OD1-CA 3.44Å; D281-V283 VanDerWaalsContact OD1-CB 3.25Å; D281-V283 WeakPolarHBondContact OD1-CB 3.44Å; D281-V283 PolarHBondContact OD1-N 3Å
284	T	82.1	Confident	89.8	Confident	24 Å²	24	57.5 Å²	57.5	15%	0.147	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.1	176.9	57.6	0	0	0	0	113	V99 P275 D281	V99-T284 HydrophobicContact CG2-CG2 4.03Å; P275-T284 HydrophobicContact CB-CG2 3.58Å; P275-T284 HydrophobicContact CG-CG2 4.12Å; D281-T284 WeakPolarHBondContact CB-OG1 3.37Å; D281-T284 VanDerWaalsContact CG-OG1 3.22Å; D281-T284 PolarHBondContact O-N 3.37Å; D281-T284 PolarHBondContact O-OG1 2.95Å; D281-T284 WeakPolarHBondContact OD2-CB 3.39Å; D281-T284 WeakPolarHBondContact OD2-CG2 3.47Å; D281-T284 PolarHBondContact OD2-N 3.03Å; D281-T284 PolarHBondContact OD2-OG1 3.43Å
285	G	79.1	Confident	89.6	Confident	26 Å²	26	59 Å²	59	27%	0.268	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	19.4	-174.5	0	0	0	0	0	113	D281	D281-G285 WeakPolarHBondContact O-CA 3.35Å; D281-G285 PolarHBondContact O-N 3.33Å
286	S	87.1	Confident	89.4	Confident	6 Å²	6	62.8 Å²	62.8	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.5	172	-178.4	0	0	0	0	109.9	Y277 E279 E280 D281 G288	Y277-S286 WeakPolarHBondContact CA-OG 3.41Å; E279-S286 WeakPolarHBondContact O-CB 3.37Å; E279-S286 PolarHBondContact O-OG 3.07Å; E280-S286 WeakPolarHBondContact CA-O 3.19Å; D281-S286 PolarHBondContact N-O 3.09Å; D281-S286 PolarHBondContact O-N 3.12Å; S286-G288 PolarHBondContact OG-N 3.43Å
287	V	88.3	Confident	89	Confident	68 Å²	68	63.8 Å²	63.8	41%	0.412	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-3.9	173.5	-62.5	0	0	0	0	112.7	A86	A86-V287 HydrophobicContact CB-CG1 4.5Å
288	G	91.5	Very high	88.6	Confident	6 Å²	6	64 Å²	64	6%	0.062	36%	0.361	C	S	.	.			trans	73.7	176.5	-173.8	0	0	0	0	0	114.3	C278 E279 S286	C278-G288 WeakPolarHBondContact O-CA 3.38Å; E279-G288 VanDerWaalsContact C-CA 3.46Å; S286-G288 PolarHBondContact OG-N 3.43Å
289	T	93.9	Very high	87.6	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	40%	0.401	C	S	.	.	S	Bend	trans	-113.5	2.3	178.5	61.6	0	0	0	0	114.3	R81 C278 G291 R292 M307 R311 C348	R81-T289 HydrophobicContact CB-CG2 3.97Å; R81-T289 HydrophobicContact CG-CG2 4.08Å; C278-T289 PolarHBondContact O-N 2.97Å; C278-T289 PolarHBondContact O-OG1 3.4Å; T289-G291 PolarHBondContact O-N 3.31Å; T289-R292 VanDerWaalsContact O-CB 3.26Å; T289-R292 WeakPolarHBondContact O-CB 3.4Å; T289-R292 WeakPolarHBondContact O-CG 3.42Å; T289-R292 PolarHBondContact O-N 2.95Å; T289-R292 VanDerWaalsContact O-N 3.15Å; T289-M307 WeakPolarHBondContact CB-O 3.48Å; T289-M307 HydrophobicContact CG2-CE 4.41Å; T289-M307 WeakPolarHBondContact CG2-O 3.27Å; T289-M307 PolarHBondContact OG1-O 3.09Å; T289-R311 PolarHBondContact OG1-NH2 3.38Å; T289-C348 VanDerWaalsContact O-CB 3.24Å; T289-C348 WeakPolarHBondContact O-CB 3.39Å
290	Q	93.6	Very high	86.8	Confident	143 Å²	143	74.8 Å²	74.8	67%	0.668	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	136.8	177	-175.1	167.2	31	0	0	111.1	R292 K349	Q290-R292 PolarHBondContact O-N 2.7Å; Q290-R292 VanDerWaalsContact O-N 3.13Å; Q290-K349 WeakPolarHBondContact CG-OXT 3.44Å; Q290-K349 PolarHBondContact NE2-OXT 2.75Å
291	G	91.8	Very high	86.1	Confident	51 Å²	51	70.6 Å²	70.6	53%	0.526	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	-3	-178.2	0	0	0	0	0	115.2	T289 C348	T289-G291 PolarHBondContact O-N 3.31Å; G291-C348 PolarHBondContact N-O 3.27Å
292	R	91.9	Very high	85.8	Confident	37 Å²	37	69.9 Å²	69.9	14%	0.14	39%	0.394	C	S	.	.			trans	-73.2	141.4	179	-67.4	-166.7	62.7	-165.9	-8.9	112	R78 G80 R81 T289 Q290 M307 T347 C348	R78-R292 PolarHBondContact O-NH2 3.48Å; G80-R292 VanDerWaalsContact O-CZ 3.26Å; G80-R292 PolarHBondContact O-NH1 3.35Å; G80-R292 PolarHBondContact O-NH2 2.82Å; R81-R292 VanDerWaalsContact C-NH1 3.28Å; R81-R292 PolarHBondContact O-NH1 2.02Å; T289-R292 VanDerWaalsContact O-CB 3.26Å; T289-R292 WeakPolarHBondContact O-CB 3.4Å; T289-R292 WeakPolarHBondContact O-CG 3.42Å; T289-R292 PolarHBondContact O-N 2.95Å; T289-R292 VanDerWaalsContact O-N 3.15Å; Q290-R292 PolarHBondContact O-N 2.7Å; Q290-R292 VanDerWaalsContact O-N 3.13Å; R292-M307 HydrophobicContact CB-CG 4.48Å; R292-M307 VanDerWaalsContact CZ-SD 3.56Å; R292-T347 CarbonylContact O-C 3.54Å; R292-T347 VanDerWaalsContact O-CA 3.3Å; R292-T347 WeakPolarHBondContact O-CA 3.25Å; R292-C348 PolarHBondContact O-N 2.95Å
293	M	91.8	Very high	86.1	Confident	130 Å²	130	65.5 Å²	65.5	64%	0.64	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	139.4	172.5	-64	176.1	74.9	0	0	110.8	V345 Y346 T347	M293-V345 HydrophobicContact CE-CB 4.49Å; M293-V345 HydrophobicContact CE-CG1 3.84Å; M293-V345 HydrophobicContact CE-CG2 3.72Å; M293-V345 HydrophobicContact CG-CG1 4.35Å; M293-Y346 CarbonylContact C-O 3.58Å; M293-Y346 VanDerWaalsContact CA-O 3.32Å; M293-Y346 WeakPolarHBondContact CA-O 3.29Å; M293-T347 HydrophobicContact CG-CG2 4.45Å
294	C	91.9	Very high	86.5	Confident	15 Å²	15	60.6 Å²	60.6	10%	0.101	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	161.6	174.5	68	0	0	0	0	111	C304 M307 C308 Y346	C294-C304 VanDerWaalsContact C-SG 3.51Å; C294-C304 HydrophobicContact CB-CB 3.82Å; C294-C304 WeakPolarHBondContact CB-SG 3.34Å; C294-C304 WeakPolarHBondContact SG-CA 3.26Å; C294-C304 WeakPolarHBondContact SG-CB 3.47Å; C294-C304 CovalentContact SG-SG 2.04Å; C294-C304 PolarHBondContact SG-SG 2.84Å; C294-M307 HydrophobicContact CB-CB 3.99Å; C294-M307 HydrophobicContact CB-CG 4.17Å; C294-C308 VanDerWaalsContact SG-SG 3.67Å; C294-Y346 PolarHBondContact N-O 3.18Å
295	N	90.6	Very high	86.8	Confident	65 Å²	65	65.7 Å²	65.7	35%	0.348	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-107.3	119.5	177.4	-172.9	-13.8	0	0	0	110	T297 A298 N302 G303 C304	N295-T297 PolarHBondContact O-N 2.89Å; N295-T297 PolarHBondContact OD1-N 2.77Å; N295-T297 PolarHBondContact OD1-OG1 2.61Å; N295-A298 HydrophobicContact CB-CB 3.8Å; N295-N302 PolarHBondContact N-O 3.2Å; N295-G303 VanDerWaalsContact O-CA 3.29Å; N295-G303 WeakPolarHBondContact O-CA 3.31Å; N295-C304 VanDerWaalsContact C-SG 3.55Å; N295-C304 PolarHBondContact O-N 3.24Å; N295-C304 VanDerWaalsContact O-N 3.12Å
296	K	87.6	Confident	87.3	Confident	110 Å²	110	68.3 Å²	68.3	48%	0.478	37%	0.37	S	S	.	.	S	Bend	trans	-67.6	-32.1	-178.9	-177.2	179	178.2	-174.4	0	113.3	Y313 Y346	K296-Y313 HydrophobicContact CD-CE2 4.36Å; K296-Y313 WeakPolarHBondContact CE-OH 3.37Å; K296-Y346 HydrophobicContact CB-CD2 3.73Å; K296-Y346 HydrophobicContact CB-CE1 4.44Å; K296-Y346 HydrophobicContact CB-CE2 3.47Å; K296-Y346 VanDerWaalsContact CB-CE2 3.47Å; K296-Y346 HydrophobicContact CB-CG 4.3Å; K296-Y346 HydrophobicContact CD-CE1 3.91Å; K296-Y346 HydrophobicContact CD-CE2 4.18Å; K296-Y346 HydrophobicContact CG-CE2 4.48Å
297	T	85.2	Confident	87.5	Confident	126 Å²	126	68.1 Å²	68.1	77%	0.773	37%	0.369	S	S	*	.	S	Bend	trans	-91.3	-10.3	-176.6	55.2	0	0	0	0	113.3	N295	N295-T297 PolarHBondContact O-N 2.89Å; N295-T297 PolarHBondContact OD1-N 2.77Å; N295-T297 PolarHBondContact OD1-OG1 2.61Å
298	A	82.8	Confident	87.8	Confident	24 Å²	24	64.9 Å²	64.9	20%	0.198	35%	0.349	C	S	.	.			trans	-83.2	132	-179.5	0	0	0	0	0	111.6	N295 N302 G303	N295-A298 HydrophobicContact CB-CB 3.8Å; A298-N302 VanDerWaalsContact CB-OD1 3.25Å; A298-N302 WeakPolarHBondContact CB-OD1 3.32Å; A298-G303 WeakPolarHBondContact O-CA 3.01Å
299	Q	73.3	Confident	87.9	Confident	193 Å²	193	66.4 Å²	66.4	90%	0.902	36%	0.358	S	S	*	.			trans	-89.2	-3.3	173.9	-67.2	-171.5	-16.2	0	0	113.7
300	Q	76.3	Confident	87.7	Confident	144 Å²	144	69.8 Å²	69.8	67%	0.673	39%	0.393	S	S	*	.	S	Bend	trans	-93.6	-168.3	-175.4	-63.6	-175.3	10.7	0	0	112.2	N302 G303 L306	Q300-N302 PolarHBondContact O-N 3.23Å; Q300-G303 WeakPolarHBondContact O-CA 3.04Å; Q300-G303 PolarHBondContact O-N 3.2Å; Q300-L306 WeakPolarHBondContact O-CD1 3.37Å
301	S	75.3	Confident	87.8	Confident	62 Å²	62	66.2 Å²	66.2	43%	0.434	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-25.5	179.9	57.8	0	0	0	0	116.2	N79	N79-S301 CarbonylContact O-C 3.6Å; N79-S301 VanDerWaalsContact O-C 3.31Å; N79-S301 PolarHBondContact O-OG 3.28Å
302	N	80.8	Confident	87.8	Confident	34 Å²	34	65.1 Å²	65.1	18%	0.182	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.1	175.2	61.4	-20.4	0	0	0	114.3	N79 N295 A298 Q300	N79-N302 HydrophobicContact CB-CB 3.96Å; N79-N302 PolarHBondContact O-N 3.28Å; N295-N302 PolarHBondContact N-O 3.2Å; A298-N302 VanDerWaalsContact CB-OD1 3.25Å; A298-N302 WeakPolarHBondContact CB-OD1 3.32Å; Q300-N302 PolarHBondContact O-N 3.23Å
303	G	90.8	Very high	87.9	Confident	4 Å²	4	66.3 Å²	66.3	4%	0.041	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-60.4	139.9	174.5	0	0	0	0	0	111.1	N295 A298 Q300 D305 L306 M307	N295-G303 VanDerWaalsContact O-CA 3.29Å; N295-G303 WeakPolarHBondContact O-CA 3.31Å; A298-G303 WeakPolarHBondContact O-CA 3.01Å; Q300-G303 WeakPolarHBondContact O-CA 3.04Å; Q300-G303 PolarHBondContact O-N 3.2Å; G303-D305 PolarHBondContact O-N 3.26Å; G303-L306 PolarHBondContact O-N 2.86Å; G303-L306 VanDerWaalsContact O-N 3.15Å; G303-M307 WeakPolarHBondContact O-CB 3.32Å; G303-M307 PolarHBondContact O-N 2.9Å
304	C	91.1	Very high	88	Confident	4 Å²	4	63.6 Å²	63.6	3%	0.027	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-34.8	-179.3	-68.3	0	0	0	0	113.4	C294 N295 L306 C308 Y313	C294-C304 VanDerWaalsContact C-SG 3.51Å; C294-C304 HydrophobicContact CB-CB 3.82Å; C294-C304 WeakPolarHBondContact CB-SG 3.34Å; C294-C304 WeakPolarHBondContact SG-CA 3.26Å; C294-C304 WeakPolarHBondContact SG-CB 3.47Å; C294-C304 CovalentContact SG-SG 2.04Å; C294-C304 PolarHBondContact SG-SG 2.84Å; N295-C304 VanDerWaalsContact C-SG 3.55Å; N295-C304 PolarHBondContact O-N 3.24Å; N295-C304 VanDerWaalsContact O-N 3.12Å; C304-L306 PolarHBondContact O-N 3.25Å; C304-C308 WeakPolarHBondContact O-CB 3.39Å; C304-C308 PolarHBondContact O-N 3.46Å; C304-C308 PolarHBondContact O-SG 2.9Å; C304-Y313 HydrophobicContact CB-CD1 3.4Å; C304-Y313 VanDerWaalsContact CB-CD1 3.4Å; C304-Y313 HydrophobicContact CB-CE1 3.62Å; C304-Y313 HydrophobicContact CB-CG 4.07Å
305	D	88.1	Confident	88.1	Confident	132 Å²	132	66.3 Å²	66.3	71%	0.706	37%	0.371	S	S	*	.	H	α-helix	trans	-63.5	-42.2	178	-58.7	-27.8	0	0	0	112	G303 C309 G310	G303-D305 PolarHBondContact O-N 3.26Å; D305-C309 PolarHBondContact O-N 2.88Å; D305-G310 PolarHBondContact O-N 3.37Å
306	L	89	Confident	88.1	Confident	80 Å²	80	67.9 Å²	67.9	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-79.7	-42	179	-73.6	173.5	0	0	0	112.1	R81 Q300 G303 C304	R81-L306 PolarHBondContact NE-O 3.39Å; R81-L306 PolarHBondContact NH2-O 3.37Å; Q300-L306 WeakPolarHBondContact O-CD1 3.37Å; G303-L306 PolarHBondContact O-N 2.86Å; G303-L306 VanDerWaalsContact O-N 3.15Å; C304-L306 PolarHBondContact O-N 3.25Å
307	M	92.4	Very high	88.3	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-69	-41.7	-177.5	-175.2	87.7	-44.3	0	0	112.1	R81 T289 R292 C294 G303 C309	R81-M307 HydrophobicContact CB-CE 4Å; R81-M307 HydrophobicContact CG-CE 3.47Å; R81-M307 VanDerWaalsContact CG-CE 3.47Å; R81-M307 VanDerWaalsContact N-CE 3.35Å; T289-M307 WeakPolarHBondContact CB-O 3.48Å; T289-M307 HydrophobicContact CG2-CE 4.41Å; T289-M307 WeakPolarHBondContact CG2-O 3.27Å; T289-M307 PolarHBondContact OG1-O 3.09Å; R292-M307 HydrophobicContact CB-CG 4.48Å; R292-M307 VanDerWaalsContact CZ-SD 3.56Å; C294-M307 HydrophobicContact CB-CB 3.99Å; C294-M307 HydrophobicContact CB-CG 4.17Å; G303-M307 WeakPolarHBondContact O-CB 3.32Å; G303-M307 PolarHBondContact O-N 2.9Å; M307-C309 VanDerWaalsContact C-N 3.3Å; M307-C309 PolarHBondContact O-N 2Å
308	C	94.1	Very high	88.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.5	-176	-47.7	0	0	0	0	112.9	C294 C304 G310 R311 G312 C348	C294-C308 VanDerWaalsContact SG-SG 3.67Å; C304-C308 WeakPolarHBondContact O-CB 3.39Å; C304-C308 PolarHBondContact O-N 3.46Å; C304-C308 PolarHBondContact O-SG 2.9Å; C308-G310 PolarHBondContact O-N 3.25Å; C308-G310 VanDerWaalsContact O-N 3.1Å; C308-R311 WeakPolarHBondContact O-CB 2.98Å; C308-R311 WeakPolarHBondContact O-CG 3.42Å; C308-R311 PolarHBondContact O-N 3.41Å; C308-G312 VanDerWaalsContact CB-O 3.3Å; C308-G312 WeakPolarHBondContact CB-O 3.43Å; C308-C348 WeakPolarHBondContact CA-SG 3.22Å; C308-C348 HydrophobicContact CB-CB 3.57Å; C308-C348 WeakPolarHBondContact CB-SG 3.01Å; C308-C348 PolarHBondContact N-SG 2.88Å; C308-C348 VanDerWaalsContact N-SG 3.39Å; C308-C348 WeakPolarHBondContact SG-CA 3.46Å; C308-C348 WeakPolarHBondContact SG-CB 3.11Å; C308-C348 CovalentContact SG-SG 2.04Å; C308-C348 PolarHBondContact SG-SG 2.8Å
309	C	93.4	Very high	88.9	Confident	38 Å²	38	70.7 Å²	70.7	26%	0.257	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	34.8	172.4	-54.5	0	0	0	0	114	C278 D305 M307 R311	C278-C309 HydrophobicContact CB-CB 3.62Å; C278-C309 WeakPolarHBondContact CB-SG 3.45Å; C278-C309 WeakPolarHBondContact SG-CB 3.26Å; C278-C309 CovalentContact SG-SG 2.01Å; C278-C309 PolarHBondContact SG-SG 2.92Å; D305-C309 PolarHBondContact O-N 2.88Å; M307-C309 VanDerWaalsContact C-N 3.3Å; M307-C309 PolarHBondContact O-N 2Å; C309-R311 VanDerWaalsContact C-N 3.31Å; C309-R311 PolarHBondContact O-N 3.04Å
310	G	90.9	Very high	89.8	Confident	71 Å²	71	68.6 Å²	68.6	73%	0.732	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-1.9	-178.4	0	0	0	0	0	116	D305 C308 G312	D305-G310 PolarHBondContact O-N 3.37Å; C308-G310 PolarHBondContact O-N 3.25Å; C308-G310 VanDerWaalsContact O-N 3.1Å; G310-G312 PolarHBondContact O-N 2.04Å
311	R	93.7	Very high	90.6	Very high	69 Å²	69	65.9 Å²	65.9	26%	0.26	36%	0.359	S	S	.	.	S	Bend	trans	-72	-11.5	176.9	-58.7	-169.4	-57.9	-91.8	-6.8	113.8	C278 E279 T289 C308 C309 K349	C278-R311 PolarHBondContact O-NH1 3.25Å; E279-R311 IonicContact OE1-CZ 3.04Å; E279-R311 IonicContact OE1-NE 2.69Å; E279-R311 IonicContact OE1-NH1 3.96Å; E279-R311 PolarHBondContact OE1-NH1 3.1Å; T289-R311 PolarHBondContact OG1-NH2 3.38Å; C308-R311 WeakPolarHBondContact O-CB 2.98Å; C308-R311 WeakPolarHBondContact O-CG 3.42Å; C308-R311 PolarHBondContact O-N 3.41Å; C309-R311 VanDerWaalsContact C-N 3.31Å; C309-R311 PolarHBondContact O-N 3.04Å; R311-K349 PolarHBondContact NE-O 3.15Å; R311-K349 PolarHBondContact NH2-O 3.25Å
312	G	92.5	Very high	91.5	Very high	27 Å²	27	67.7 Å²	67.7	28%	0.278	36%	0.356	S	S	.	.			trans	79.7	-174.4	-171.4	0	0	0	0	0	112.9	C308 G310 K349	C308-G312 VanDerWaalsContact CB-O 3.3Å; C308-G312 WeakPolarHBondContact CB-O 3.43Å; G310-G312 PolarHBondContact O-N 2.04Å; G312-K349 PolarHBondContact O-N 2.78Å; G312-K349 VanDerWaalsContact O-N 3.16Å
313	Y	94.6	Very high	92.3	Very high	63 Å²	63	71.1 Å²	71.1	25%	0.247	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.6	-175	50.8	-89.2	0	0	0	111.6	K296 C304 Y346 T347 K349	K296-Y313 HydrophobicContact CD-CE2 4.36Å; K296-Y313 WeakPolarHBondContact CE-OH 3.37Å; C304-Y313 HydrophobicContact CB-CD1 3.4Å; C304-Y313 VanDerWaalsContact CB-CD1 3.4Å; C304-Y313 HydrophobicContact CB-CE1 3.62Å; C304-Y313 HydrophobicContact CB-CG 4.07Å; Y313-Y346 AromaticContact CD2-CD1 3.62Å; Y313-Y346 HydrophobicContact CD2-CD1 3.62Å; Y313-Y346 HydrophobicContact CD2-CG 4.06Å; Y313-Y346 AromaticContact CE2-CD1 3.61Å; Y313-Y346 HydrophobicContact CE2-CD1 3.61Å; Y313-Y346 HydrophobicContact CE2-CE1 4.15Å; Y313-Y346 HydrophobicContact CE2-CG 4.23Å; Y313-T347 CarbonylContact C-O 3.17Å; Y313-T347 WeakPolarHBondContact CA-O 3.01Å; Y313-T347 VanDerWaalsContact CB-O 3.26Å; Y313-T347 WeakPolarHBondContact CB-O 3.04Å; Y313-K349 WeakPolarHBondContact O-CE 3.29Å
314	N	94.3	Very high	92.5	Very high	72 Å²	72	71.6 Å²	71.6	39%	0.385	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.1	168.7	-63.7	-38.3	0	0	0	109.4	Y346 T347 K349	N314-Y346 CarbonylContact O-C 3.55Å; N314-Y346 VanDerWaalsContact O-CA 3.25Å; N314-Y346 WeakPolarHBondContact O-CA 3.48Å; N314-T347 PolarHBondContact N-O 3.28Å; N314-T347 PolarHBondContact O-N 3.48Å; N314-K349 WeakPolarHBondContact OD1-CE 3.4Å
315	T	93.6	Very high	92.7	Very high	72 Å²	72	77 Å²	77	44%	0.442	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124	176.7	-55.9	0	0	0	0	109.2	E344 Y346	T315-E344 HydrophobicContact CG2-CB 4.29Å; T315-Y346 HydrophobicContact CG2-CD1 3.97Å; T315-Y346 HydrophobicContact CG2-CE1 3.62Å; T315-Y346 WeakPolarHBondContact OG1-CD1 3.41Å
316	H	91.3	Very high	93.1	Very high	98 Å²	98	73.8 Å²	73.8	45%	0.454	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.6	175.4	-58.3	-78.5	0	0	0	109.4	E344 V345 T347	H316-E344 CarbonylContact O-C 3.51Å; H316-E344 WeakPolarHBondContact O-CA 3.29Å; H316-V345 PolarHBondContact N-O 2.89Å; H316-V345 PolarHBondContact O-N 2.83Å; H316-T347 PolarHBondContact CD2-OG1 3.39Å; H316-T347 PolarHBondContact NE2-OG1 3.09Å
317	Q	91	Very high	93.4	Very high	146 Å²	146	77 Å²	77	68%	0.682	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.9	174.2	-69	-172.6	-9.8	0	0	109.9	E344	Q317-E344 HydrophobicContact CG-CG 4.21Å; Q317-E344 PolarHBondContact NE2-OE1 3.13Å
318	Y	89	Confident	93.6	Very high	106 Å²	106	83.3 Å²	83.3	42%	0.416	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.6	175.2	64.4	-75	0	0	0	110.4	R320 T343 V345	Y318-R320 HydrophobicContact CD2-CB 4.49Å; Y318-R320 HydrophobicContact CE2-CB 4.1Å; Y318-T343 WeakPolarHBondContact CD1-O 3.1Å; Y318-T343 WeakPolarHBondContact CE1-OG1 2.96Å; Y318-T343 WeakPolarHBondContact CE2-OG1 3.47Å; Y318-T343 PolarHBondContact N-O 3.34Å; Y318-T343 PolarHBondContact O-N 3.49Å; Y318-T343 PolarHBondContact O-OG1 3.05Å; Y318-T343 PolarHBondContact OH-OG1 2.95Å; Y318-V345 HydrophobicContact CD1-CB 4.39Å; Y318-V345 HydrophobicContact CD1-CG2 4.37Å; Y318-V345 HydrophobicContact CE1-CB 3.65Å; Y318-V345 HydrophobicContact CE1-CG2 3.25Å; Y318-V345 VanDerWaalsContact OH-CG2 3.26Å; Y318-V345 WeakPolarHBondContact OH-CG2 3.39Å
319	S	91.6	Very high	93.5	Very high	68 Å²	68	86.7 Å²	86.7	48%	0.476	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	110.4	173	-169.2	0	0	0	0	109	E341	S319-E341 CarbonylContact C-O 3.55Å; S319-E341 WeakPolarHBondContact CA-O 3.02Å
320	R	91.3	Very high	93.2	Very high	148 Å²	148	96.4 Å²	96.4	56%	0.558	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.2	172.1	-173.3	-178.6	-178.1	-170.3	0.4	108	Y318 W322 S340 E341 T343	Y318-R320 HydrophobicContact CD2-CB 4.49Å; Y318-R320 HydrophobicContact CE2-CB 4.1Å; R320-W322 HydrophobicContact CB-CZ3 4.5Å; R320-W322 HydrophobicContact CG-CE3 4.2Å; R320-W322 VanDerWaalsContact O-CZ3 3.31Å; R320-W322 WeakPolarHBondContact O-CZ3 3.08Å; R320-S340 CarbonylContact O-C 3.34Å; R320-S340 VanDerWaalsContact O-CA 3.26Å; R320-S340 WeakPolarHBondContact O-CA 3.19Å; R320-E341 PolarHBondContact N-O 2.82Å; R320-E341 PolarHBondContact O-N 2.86Å; R320-T343 HydrophobicContact CB-CG2 4.22Å
321	V	94.2	Very high	92.5	Very high	87 Å²	87	97.7 Å²	97.7	53%	0.527	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.3	178.5	-176.3	0	0	0	0	109.1	T338 C339	V321-T338 HydrophobicContact CG1-CG2 3.28Å; V321-C339 CarbonylContact C-O 3.57Å; V321-C339 VanDerWaalsContact CA-O 3.32Å; V321-C339 WeakPolarHBondContact CA-O 3.43Å; V321-C339 WeakPolarHBondContact CG1-O 3.07Å
322	W	94.9	Very high	92.2	Very high	100 Å²	100	99.9 Å²	99.9	38%	0.379	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.5	176.2	71.1	100.8	0	0	0	111.9	R320 C339 E341	R320-W322 HydrophobicContact CB-CZ3 4.5Å; R320-W322 HydrophobicContact CG-CE3 4.2Å; R320-W322 VanDerWaalsContact O-CZ3 3.31Å; R320-W322 WeakPolarHBondContact O-CZ3 3.08Å; W322-C339 HydrophobicContact CD2-CB 4.36Å; W322-C339 HydrophobicContact CZ2-CB 4.16Å; W322-C339 PolarHBondContact N-O 3.27Å; W322-C339 PolarHBondContact O-N 2.8Å; W322-E341 HydrophobicContact CH2-CB 3.55Å; W322-E341 HydrophobicContact CZ3-CB 3.57Å
323	Q	96.3	Very high	92.2	Very high	106 Å²	106	105 Å²	105	50%	0.495	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.8	173.7	-64.3	-57.8	-41.5	0	0	109.6	C336 N337 T338	Q323-C336 HydrophobicContact CB-CB 3.81Å; Q323-C336 HydrophobicContact CG-CB 4.33Å; Q323-N337 WeakPolarHBondContact CA-O 3.31Å; Q323-N337 PolarHBondContact OE1-O 2.02Å; Q323-T338 PolarHBondContact NE2-OG1 3.01Å
324	C	95.8	Very high	92.3	Very high	14 Å²	14	106 Å²	106	10%	0.095	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	168.3	-176	66	0	0	0	0	110.4	C326 N337 C339	C324-C326 PolarHBondContact O-N 2.03Å; C324-C326 VanDerWaalsContact O-N 3.09Å; C324-N337 PolarHBondContact N-O 3.48Å; C324-N337 PolarHBondContact O-N 3.34Å; C324-N337 PolarHBondContact SG-O 3.46Å; C324-N337 VanDerWaalsContact SG-O 3.37Å; C324-C339 HydrophobicContact CB-CB 3.59Å; C324-C339 WeakPolarHBondContact CB-SG 3.38Å; C324-C339 WeakPolarHBondContact SG-CB 3.05Å; C324-C339 PolarHBondContact SG-N 3.38Å; C324-C339 CovalentContact SG-SG 2Å; C324-C339 PolarHBondContact SG-SG 3.44Å
325	N	95.7	Very high	92.4	Very high	117 Å²	117	108.8 Å²	108.8	63%	0.626	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.2	38	175.4	-60.4	-42.2	0	0	0	113	K327	N325-K327 PolarHBondContact O-N 3.31Å
326	C	95.9	Very high	92.5	Very high	66 Å²	66	107.2 Å²	107.2	45%	0.446	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	124.1	-177.1	-64.8	0	0	0	0	111	C324 V334 K335 C336	C324-C326 PolarHBondContact O-N 2.03Å; C324-C326 VanDerWaalsContact O-N 3.09Å; C326-V334 HydrophobicContact CB-CG1 3.76Å; C326-K335 CarbonylContact C-O 3.31Å; C326-K335 WeakPolarHBondContact CA-O 3.46Å; C326-C336 HydrophobicContact CB-CB 4.11Å; C326-C336 WeakPolarHBondContact CB-SG 3.32Å; C326-C336 WeakPolarHBondContact SG-CB 3.41Å; C326-C336 CovalentContact SG-SG 2.04Å; C326-C336 PolarHBondContact SG-SG 2.89Å
327	K	95.1	Very high	92.8	Very high	147 Å²	147	106.9 Å²	106.9	64%	0.639	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.4	174.5	-66.2	-174.1	179.9	-177	0	109.8	N325 H329 K335	N325-K327 PolarHBondContact O-N 3.31Å; K327-H329 PolarHBondContact O-CD2 2.74Å; K327-K335 PolarHBondContact N-O 3.33Å; K327-K335 PolarHBondContact O-N 3.12Å
328	F	95.4	Very high	93.1	Very high	135 Å²	135	104.6 Å²	104.6	59%	0.592	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.7	170.7	179.6	-102.8	0	0	0	109.2	W330 V334	F328-W330 HydrophobicContact CE1-CB 4.31Å; F328-V334 HydrophobicContact CD2-CG2 4.05Å
329	H	93.1	Very high	93.4	Very high	70 Å²	70	101.4 Å²	101.4	32%	0.324	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.4	172.5	-70.4	-88.7	0	0	0	108.2	K327 C331 C332 Y333	K327-H329 PolarHBondContact O-CD2 2.74Å; H329-C331 CarbonylContact O-C 3.52Å; H329-C331 PolarHBondContact O-N 3.46Å; H329-C332 PolarHBondContact O-N 2.93Å; H329-Y333 HydrophobicContact CB-CD1 4.38Å; H329-Y333 HydrophobicContact CB-CD2 4.41Å; H329-Y333 HydrophobicContact CB-CE1 3.97Å; H329-Y333 HydrophobicContact CB-CE2 3.99Å; H329-Y333 AromaticContact CD2-CE2 3.65Å; H329-Y333 AromaticContact CG-CE2 3.88Å; H329-Y333 AromaticContact CG-CZ 3.88Å; H329-Y333 PolarHBondContact N-O 2.93Å
330	W	87.6	Confident	93.6	Very high	242 Å²	242	102 Å²	102	92%	0.917	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	128.5	176	-163.4	84.6	0	0	0	108.7	F328	F328-W330 HydrophobicContact CE1-CB 4.31Å
331	C	75.3	Confident	93.7	Very high	99 Å²	99	100.1 Å²	100.1	67%	0.669	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	43.3	-152.6	-146.2	0	0	0	0	115.5	H329	H329-C331 CarbonylContact O-C 3.52Å; H329-C331 PolarHBondContact O-N 3.46Å
332	C	88.4	Confident	93.6	Very high	114 Å²	114	106.8 Å²	106.8	77%	0.77	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	27.3	136.9	-54.6	0	0	0	0	120.2	H329	H329-C332 PolarHBondContact O-N 2.93Å
333	Y	92.7	Very high	93.4	Very high	134 Å²	134	103.3 Å²	103.3	53%	0.525	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.1	166.7	65.3	-84	0	0	0	112.8	H329 K335	H329-Y333 HydrophobicContact CB-CD1 4.38Å; H329-Y333 HydrophobicContact CB-CD2 4.41Å; H329-Y333 HydrophobicContact CB-CE1 3.97Å; H329-Y333 HydrophobicContact CB-CE2 3.99Å; H329-Y333 AromaticContact CD2-CE2 3.65Å; H329-Y333 AromaticContact CG-CE2 3.88Å; H329-Y333 AromaticContact CG-CZ 3.88Å; H329-Y333 PolarHBondContact N-O 2.93Å; Y333-K335 HydrophobicContact CD2-CB 4.37Å; Y333-K335 HydrophobicContact CE2-CB 4.19Å
334	V	95.7	Very high	93.2	Very high	86 Å²	86	102.3 Å²	102.3	52%	0.521	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.6	171.5	-178.6	0	0	0	0	107.3	C326 F328	C326-V334 HydrophobicContact CB-CG1 3.76Å; F328-V334 HydrophobicContact CD2-CG2 4.05Å
335	K	95.8	Very high	92.9	Very high	130 Å²	130	102.8 Å²	102.8	57%	0.565	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.1	171.9	-171.3	173	-179.9	176.5	0	108.6	C326 K327 Y333	C326-K335 CarbonylContact C-O 3.31Å; C326-K335 WeakPolarHBondContact CA-O 3.46Å; K327-K335 PolarHBondContact N-O 3.33Å; K327-K335 PolarHBondContact O-N 3.12Å; Y333-K335 HydrophobicContact CD2-CB 4.37Å; Y333-K335 HydrophobicContact CE2-CB 4.19Å
336	C	97.3	Very high	92.8	Very high	38 Å²	38	98.7 Å²	98.7	26%	0.257	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154.3	177.2	-57.9	0	0	0	0	110.3	Q323 C326	Q323-C336 HydrophobicContact CB-CB 3.81Å; Q323-C336 HydrophobicContact CG-CB 4.33Å; C326-C336 HydrophobicContact CB-CB 4.11Å; C326-C336 WeakPolarHBondContact CB-SG 3.32Å; C326-C336 WeakPolarHBondContact SG-CB 3.41Å; C326-C336 CovalentContact SG-SG 2.04Å; C326-C336 PolarHBondContact SG-SG 2.89Å
337	N	97.4	Very high	92.7	Very high	92 Å²	92	96.6 Å²	96.6	49%	0.492	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	153.7	166.1	-66.5	-9.3	0	0	0	108.9	Q323 C324	Q323-N337 WeakPolarHBondContact CA-O 3.31Å; Q323-N337 PolarHBondContact OE1-O 2.02Å; C324-N337 PolarHBondContact N-O 3.48Å; C324-N337 PolarHBondContact O-N 3.34Å; C324-N337 PolarHBondContact SG-O 3.46Å; C324-N337 VanDerWaalsContact SG-O 3.37Å
338	T	96.4	Very high	92.7	Very high	98 Å²	98	89.7 Å²	89.7	60%	0.601	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	112	169.5	-59.9	0	0	0	0	108.4	V321 Q323	V321-T338 HydrophobicContact CG1-CG2 3.28Å; Q323-T338 PolarHBondContact NE2-OG1 3.01Å
339	C	96.2	Very high	92.6	Very high	38 Å²	38	88.8 Å²	88.8	26%	0.257	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	152.8	172.3	-77.1	0	0	0	0	110.2	V321 W322 C324	V321-C339 CarbonylContact C-O 3.57Å; V321-C339 VanDerWaalsContact CA-O 3.32Å; V321-C339 WeakPolarHBondContact CA-O 3.43Å; V321-C339 WeakPolarHBondContact CG1-O 3.07Å; W322-C339 HydrophobicContact CD2-CB 4.36Å; W322-C339 HydrophobicContact CZ2-CB 4.16Å; W322-C339 PolarHBondContact N-O 3.27Å; W322-C339 PolarHBondContact O-N 2.8Å; C324-C339 HydrophobicContact CB-CB 3.59Å; C324-C339 WeakPolarHBondContact CB-SG 3.38Å; C324-C339 WeakPolarHBondContact SG-CB 3.05Å; C324-C339 PolarHBondContact SG-N 3.38Å; C324-C339 CovalentContact SG-SG 2Å; C324-C339 PolarHBondContact SG-SG 3.44Å
340	S	94.3	Very high	92.6	Very high	82 Å²	82	89.7 Å²	89.7	57%	0.573	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	140.2	173.5	63.5	0	0	0	0	111.1	R320	R320-S340 CarbonylContact O-C 3.34Å; R320-S340 VanDerWaalsContact O-CA 3.26Å; R320-S340 WeakPolarHBondContact O-CA 3.19Å
341	E	94.4	Very high	92.9	Very high	108 Å²	108	81.7 Å²	81.7	51%	0.505	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.7	173.4	-179.4	176.7	-141.1	0	0	109.7	S319 R320 W322 T343	S319-E341 CarbonylContact C-O 3.55Å; S319-E341 WeakPolarHBondContact CA-O 3.02Å; R320-E341 PolarHBondContact N-O 2.82Å; R320-E341 PolarHBondContact O-N 2.86Å; W322-E341 HydrophobicContact CH2-CB 3.55Å; W322-E341 HydrophobicContact CZ3-CB 3.57Å; E341-T343 HydrophobicContact CG-CG2 4.21Å; E341-T343 PolarHBondContact O-N 3.04Å
342	R	92.7	Very high	93.8	Very high	227 Å²	227	80.7 Å²	80.7	86%	0.857	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	117	171.6	-72.4	-176.3	175.7	171.9	-1.3	108.4
343	T	90.3	Very high	94.2	Very high	26 Å²	26	78.8 Å²	78.8	16%	0.16	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.9	-179.5	51.7	0	0	0	0	110.5	Y318 R320 E341	Y318-T343 WeakPolarHBondContact CD1-O 3.1Å; Y318-T343 WeakPolarHBondContact CE1-OG1 2.96Å; Y318-T343 WeakPolarHBondContact CE2-OG1 3.47Å; Y318-T343 PolarHBondContact N-O 3.34Å; Y318-T343 PolarHBondContact O-N 3.49Å; Y318-T343 PolarHBondContact O-OG1 3.05Å; Y318-T343 PolarHBondContact OH-OG1 2.95Å; R320-T343 HydrophobicContact CB-CG2 4.22Å; E341-T343 HydrophobicContact CG-CG2 4.21Å; E341-T343 PolarHBondContact O-N 3.04Å
344	E	90.8	Very high	94.2	Very high	86 Å²	86	75.3 Å²	75.3	40%	0.402	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.9	173.8	-52.2	-161.4	140.6	0	0	109.9	T315 H316 Q317 Y346	T315-E344 HydrophobicContact CG2-CB 4.29Å; H316-E344 CarbonylContact O-C 3.51Å; H316-E344 WeakPolarHBondContact O-CA 3.29Å; Q317-E344 HydrophobicContact CG-CG 4.21Å; Q317-E344 PolarHBondContact NE2-OE1 3.13Å; E344-Y346 HydrophobicContact CB-CE1 4.28Å; E344-Y346 HydrophobicContact CB-CE2 4.32Å; E344-Y346 PolarHBondContact OE2-OH 3.42Å
345	V	91.2	Very high	94.2	Very high	24 Å²	24	74.6 Å²	74.6	15%	0.145	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.2	168	154.5	0	0	0	0	109	M293 H316 Y318 T347	M293-V345 HydrophobicContact CE-CB 4.49Å; M293-V345 HydrophobicContact CE-CG1 3.84Å; M293-V345 HydrophobicContact CE-CG2 3.72Å; M293-V345 HydrophobicContact CG-CG1 4.35Å; H316-V345 PolarHBondContact N-O 2.89Å; H316-V345 PolarHBondContact O-N 2.83Å; Y318-V345 HydrophobicContact CD1-CB 4.39Å; Y318-V345 HydrophobicContact CD1-CG2 4.37Å; Y318-V345 HydrophobicContact CE1-CB 3.65Å; Y318-V345 HydrophobicContact CE1-CG2 3.25Å; Y318-V345 VanDerWaalsContact OH-CG2 3.26Å; Y318-V345 WeakPolarHBondContact OH-CG2 3.39Å; V345-T347 HydrophobicContact CG1-CG2 4.16Å
346	Y	93.6	Very high	94	Very high	31 Å²	31	70.6 Å²	70.6	12%	0.122	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.8	180	-49.3	-77.1	0	0	0	109.6	M293 C294 K296 Y313 N314 T315 E344	M293-Y346 CarbonylContact C-O 3.58Å; M293-Y346 VanDerWaalsContact CA-O 3.32Å; M293-Y346 WeakPolarHBondContact CA-O 3.29Å; C294-Y346 PolarHBondContact N-O 3.18Å; K296-Y346 HydrophobicContact CB-CD2 3.73Å; K296-Y346 HydrophobicContact CB-CE1 4.44Å; K296-Y346 HydrophobicContact CB-CE2 3.47Å; K296-Y346 VanDerWaalsContact CB-CE2 3.47Å; K296-Y346 HydrophobicContact CB-CG 4.3Å; K296-Y346 HydrophobicContact CD-CE1 3.91Å; K296-Y346 HydrophobicContact CD-CE2 4.18Å; K296-Y346 HydrophobicContact CG-CE2 4.48Å; Y313-Y346 AromaticContact CD2-CD1 3.62Å; Y313-Y346 HydrophobicContact CD2-CD1 3.62Å; Y313-Y346 HydrophobicContact CD2-CG 4.06Å; Y313-Y346 AromaticContact CE2-CD1 3.61Å; Y313-Y346 HydrophobicContact CE2-CD1 3.61Å; Y313-Y346 HydrophobicContact CE2-CE1 4.15Å; Y313-Y346 HydrophobicContact CE2-CG 4.23Å; N314-Y346 CarbonylContact O-C 3.55Å; N314-Y346 VanDerWaalsContact O-CA 3.25Å; N314-Y346 WeakPolarHBondContact O-CA 3.48Å; T315-Y346 HydrophobicContact CG2-CD1 3.97Å; T315-Y346 HydrophobicContact CG2-CE1 3.62Å; T315-Y346 WeakPolarHBondContact OG1-CD1 3.41Å; E344-Y346 HydrophobicContact CB-CE1 4.28Å; E344-Y346 HydrophobicContact CB-CE2 4.32Å; E344-Y346 PolarHBondContact OE2-OH 3.42Å
347	T	94.1	Very high	93.8	Very high	21 Å²	21	73.2 Å²	73.2	13%	0.129	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.2	179.1	53.3	0	0	0	0	110.4	R292 M293 Y313 N314 H316 V345	R292-T347 CarbonylContact O-C 3.54Å; R292-T347 VanDerWaalsContact O-CA 3.3Å; R292-T347 WeakPolarHBondContact O-CA 3.25Å; M293-T347 HydrophobicContact CG-CG2 4.45Å; Y313-T347 CarbonylContact C-O 3.17Å; Y313-T347 WeakPolarHBondContact CA-O 3.01Å; Y313-T347 VanDerWaalsContact CB-O 3.26Å; Y313-T347 WeakPolarHBondContact CB-O 3.04Å; N314-T347 PolarHBondContact N-O 3.28Å; N314-T347 PolarHBondContact O-N 3.48Å; H316-T347 PolarHBondContact CD2-OG1 3.39Å; H316-T347 PolarHBondContact NE2-OG1 3.09Å; V345-T347 HydrophobicContact CG1-CG2 4.16Å
348	C	94.1	Very high	93.5	Very high	2 Å²	2	71.6 Å²	71.6	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	138.8	-179.6	-63.2	0	0	0	0	112	T289 G291 R292 C308	T289-C348 VanDerWaalsContact O-CB 3.24Å; T289-C348 WeakPolarHBondContact O-CB 3.39Å; G291-C348 PolarHBondContact N-O 3.27Å; R292-C348 PolarHBondContact O-N 2.95Å; C308-C348 WeakPolarHBondContact CA-SG 3.22Å; C308-C348 HydrophobicContact CB-CB 3.57Å; C308-C348 WeakPolarHBondContact CB-SG 3.01Å; C308-C348 PolarHBondContact N-SG 2.88Å; C308-C348 VanDerWaalsContact N-SG 3.39Å; C308-C348 WeakPolarHBondContact SG-CA 3.46Å; C308-C348 WeakPolarHBondContact SG-CB 3.11Å; C308-C348 CovalentContact SG-SG 2.04Å; C308-C348 PolarHBondContact SG-SG 2.8Å
349	K	93.8	Very high	93.2	Very high	116 Å²	116	69.2 Å²	69.2	50%	0.504	33%	0.333	S	S	.	.			trans	-69	0	175.5	-69.8	-176.5	-179.2	-178.6	0	112.7	Q290 R311 G312 Y313 N314	Q290-K349 WeakPolarHBondContact CG-OXT 3.44Å; Q290-K349 PolarHBondContact NE2-OXT 2.75Å; R311-K349 PolarHBondContact NE-O 3.15Å; R311-K349 PolarHBondContact NH2-O 3.25Å; G312-K349 PolarHBondContact O-N 2.78Å; G312-K349 VanDerWaalsContact O-N 3.16Å; Y313-K349 WeakPolarHBondContact O-CE 3.29Å; N314-K349 WeakPolarHBondContact OD1-CE 3.4Å

Retrieved 349 of 349 residues in 61.5 ms (Link to these results)

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