A0A096NMI9_PAPAN Loading...

heparosan-N-sulfate-glucuronate 5-epimerase

AlphaFold DB , UniProt , Accession A0A096NMI9, Species PAPAN (Papio anubis, Olive baboon), Gene GLCE, Length 618 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	29.3	Very low	47.4	Very low	252 Å²	252	153.8 Å²	153.8	100%	1.241	78%	0.779	S	S	*	*				0	148.4	0	-84.2	-168.9	-88.4	0	0	109.4
2	R	29.7	Very low	49.7	Very low	246 Å²	246	146.6 Å²	146.6	93%	0.928	75%	0.748	S	S	*	*			trans	-73.8	147.3	-159.8	-69.4	170.7	171.3	172.8	-3.6	115.2
3	C	31.1	Very low	51.6	Low	120 Å²	120	143.1 Å²	143.1	81%	0.811	73%	0.731	S	S	*	*			trans	36.5	119.6	146.6	-63.3	0	0	0	0	121.5
4	L	32.9	Very low	53.6	Low	176 Å²	176	140 Å²	140	92%	0.921	72%	0.716	S	S	*	*			trans	-149.4	81.2	138.2	-108.1	141.4	0	0	0	108.9	A6	L4-A6 PolarHBondContact O-N 3.18Å
5	A	36.1	Very low	55.5	Low	98 Å²	98	137.7 Å²	137.7	81%	0.81	70%	0.704	S	S	*	*			trans	-83.5	94.5	166.5	0	0	0	0	0	108	R7	A5-R7 PolarHBondContact O-N 3.2Å
6	A	45.9	Very low	57.1	Low	83 Å²	83	134.3 Å²	134.3	69%	0.686	69%	0.687	S	S	*	*			trans	-73.3	109.5	170.3	0	0	0	0	0	108.8	L4 V8	L4-A6 PolarHBondContact O-N 3.18Å; A6-V8 PolarHBondContact O-N 2.81Å
7	R	50.6	Low	58.1	Low	249 Å²	249	130.5 Å²	130.5	94%	0.94	67%	0.674	S	S	*	*			trans	-67.7	96.7	170.7	-74.9	-179.4	176.1	175.7	-1.6	108.9	A5 N9	A5-R7 PolarHBondContact O-N 3.2Å; R7-N9 PolarHBondContact O-N 2.81Å
8	V	59.9	Low	59.6	Low	97 Å²	97	126.3 Å²	126.3	59%	0.588	66%	0.662	S	S	*	*			trans	-74.5	121.5	168.6	-179.1	0	0	0	0	108.2	A6 Y10	A6-V8 PolarHBondContact O-N 2.81Å; V8-Y10 PolarHBondContact O-N 3.14Å
9	N	69.6	Low	60.8	Low	94 Å²	94	124.9 Å²	124.9	50%	0.503	65%	0.654	S	S	.	*			trans	-62.3	131	177.4	-176.7	-22.5	0	0	0	109.6	R7 K11 T12 L13	R7-N9 PolarHBondContact O-N 2.81Å; N9-K11 PolarHBondContact O-N 3.28Å; N9-K11 VanDerWaalsContact O-N 3.08Å; N9-K11 PolarHBondContact OD1-N 2.93Å; N9-T12 WeakPolarHBondContact O-CA 3.5Å; N9-T12 WeakPolarHBondContact O-CB 3.15Å; N9-T12 PolarHBondContact O-N 3.11Å; N9-L13 PolarHBondContact O-N 2.85Å
10	Y	67.2	Low	61.8	Low	151 Å²	151	126.2 Å²	126.2	59%	0.592	66%	0.655	S	S	*	*	H	α-helix	trans	-56.1	-31	-175.6	98.8	-88.8	0	0	0	112.6	V8 T12 L13 I14	V8-Y10 PolarHBondContact O-N 3.14Å; Y10-T12 VanDerWaalsContact C-N 3.32Å; Y10-T12 PolarHBondContact O-N 3.02Å; Y10-L13 PolarHBondContact O-N 2.9Å; Y10-I14 HydrophobicContact CD2-CD1 3.53Å; Y10-I14 HydrophobicContact CD2-CG1 4.35Å; Y10-I14 HydrophobicContact CE2-CD1 3.42Å; Y10-I14 VanDerWaalsContact CE2-CD1 3.42Å; Y10-I14 WeakPolarHBondContact O-CG1 3.37Å; Y10-I14 PolarHBondContact O-N 3.11Å; Y10-I14 VanDerWaalsContact O-N 3.1Å
11	K	69.3	Low	62.7	Low	126 Å²	126	124.2 Å²	124.2	55%	0.548	65%	0.648	S	S	.	*	H	α-helix	trans	-64.3	-36.9	175.7	-64.4	-170.8	178	-175.4	0	112.1	N9 I15	N9-K11 PolarHBondContact O-N 3.28Å; N9-K11 VanDerWaalsContact O-N 3.08Å; N9-K11 PolarHBondContact OD1-N 2.93Å; K11-I15 WeakPolarHBondContact O-CG1 3.38Å; K11-I15 PolarHBondContact O-N 2.75Å
12	T	75	Confident	65	Low	67 Å²	67	117.3 Å²	117.3	41%	0.411	62%	0.616	S	S	.	*	H	α-helix	trans	-69.5	-36.9	176.6	-44.3	0	0	0	0	111.1	N9 Y10 I15 I16	N9-T12 WeakPolarHBondContact O-CA 3.5Å; N9-T12 WeakPolarHBondContact O-CB 3.15Å; N9-T12 PolarHBondContact O-N 3.11Å; Y10-T12 VanDerWaalsContact C-N 3.32Å; Y10-T12 PolarHBondContact O-N 3.02Å; T12-I15 PolarHBondContact O-N 3.21Å; T12-I16 HydrophobicContact CG2-CD1 4.12Å; T12-I16 VanDerWaalsContact O-CG1 3.27Å; T12-I16 WeakPolarHBondContact O-CG1 3.41Å; T12-I16 PolarHBondContact O-N 2.84Å
13	L	73.8	Confident	67.5	Low	101 Å²	101	109 Å²	109	53%	0.529	59%	0.593	S	S	.	*	H	α-helix	trans	-65	-41.6	176.8	-168.1	69.9	0	0	0	111.7	N9 Y10 I15 I16 C17	N9-L13 PolarHBondContact O-N 2.85Å; Y10-L13 PolarHBondContact O-N 2.9Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 3.16Å; L13-I16 PolarHBondContact O-N 3.35Å; L13-C17 WeakPolarHBondContact O-CB 3.45Å; L13-C17 PolarHBondContact O-N 3.5Å; L13-C17 PolarHBondContact O-SG 2.77Å; L13-C17 VanDerWaalsContact O-SG 3.36Å
14	I	79.9	Confident	69.6	Low	100 Å²	100	106.7 Å²	106.7	51%	0.513	58%	0.575	S	S	.	*	H	α-helix	trans	-62.1	-43.1	176.2	-68	172.5	0	0	0	111.1	Y10 I16 C17 A18	Y10-I14 HydrophobicContact CD2-CD1 3.53Å; Y10-I14 HydrophobicContact CD2-CG1 4.35Å; Y10-I14 HydrophobicContact CE2-CD1 3.42Å; Y10-I14 VanDerWaalsContact CE2-CD1 3.42Å; Y10-I14 WeakPolarHBondContact O-CG1 3.37Å; Y10-I14 PolarHBondContact O-N 3.11Å; Y10-I14 VanDerWaalsContact O-N 3.1Å; I14-I16 VanDerWaalsContact C-N 3.35Å; I14-I16 PolarHBondContact O-N 3.03Å; I14-C17 PolarHBondContact O-N 3.21Å; I14-A18 WeakPolarHBondContact O-CB 3.36Å; I14-A18 PolarHBondContact O-N 3.02Å
15	I	82.1	Confident	71.5	Confident	105 Å²	105	102.5 Å²	102.5	54%	0.538	56%	0.556	S	S	.	*	H	α-helix	trans	-63.8	-41.4	178.1	-67	166.7	0	0	0	111	K11 T12 L13 A18 L19	K11-I15 WeakPolarHBondContact O-CG1 3.38Å; K11-I15 PolarHBondContact O-N 2.75Å; T12-I15 PolarHBondContact O-N 3.21Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 3.16Å; I15-A18 PolarHBondContact O-N 3.33Å; I15-L19 HydrophobicContact CG2-CD1 4.08Å; I15-L19 WeakPolarHBondContact O-CB 3.45Å; I15-L19 PolarHBondContact O-N 2.92Å
16	I	80.6	Confident	72.9	Confident	83 Å²	83	102.9 Å²	102.9	43%	0.426	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-42.8	177.3	-68.3	166.2	0	0	0	110.9	T12 L13 I14 L19 F20	T12-I16 HydrophobicContact CG2-CD1 4.12Å; T12-I16 VanDerWaalsContact O-CG1 3.27Å; T12-I16 WeakPolarHBondContact O-CG1 3.41Å; T12-I16 PolarHBondContact O-N 2.84Å; L13-I16 PolarHBondContact O-N 3.35Å; I14-I16 VanDerWaalsContact C-N 3.35Å; I14-I16 PolarHBondContact O-N 3.03Å; I16-L19 PolarHBondContact O-N 3.04Å; I16-F20 HydrophobicContact CG2-CD2 4.42Å; I16-F20 PolarHBondContact O-N 2.85Å
17	C	74.9	Confident	73.7	Confident	71 Å²	71	104.2 Å²	104.2	48%	0.48	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.1	-71.6	0	0	0	0	112.5	L13 I14 F20 T21	L13-C17 WeakPolarHBondContact O-CB 3.45Å; L13-C17 PolarHBondContact O-N 3.5Å; L13-C17 PolarHBondContact O-SG 2.77Å; L13-C17 VanDerWaalsContact O-SG 3.36Å; I14-C17 PolarHBondContact O-N 3.21Å; C17-F20 PolarHBondContact O-N 3.21Å; C17-T21 PolarHBondContact O-N 2.97Å; C17-T21 PolarHBondContact O-OG1 2.84Å
18	A	84.5	Confident	73.7	Confident	54 Å²	54	102.1 Å²	102.1	45%	0.446	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-39.7	175	0	0	0	0	0	112.1	I14 I15 T21 L22	I14-A18 WeakPolarHBondContact O-CB 3.36Å; I14-A18 PolarHBondContact O-N 3.02Å; I15-A18 PolarHBondContact O-N 3.33Å; A18-T21 VanDerWaalsContact CA-OG1 3.32Å; A18-T21 WeakPolarHBondContact CA-OG1 3.42Å; A18-T21 PolarHBondContact O-OG1 2.99Å; A18-L22 WeakPolarHBondContact O-CB 3.35Å; A18-L22 PolarHBondContact O-N 2.97Å
19	L	83	Confident	73.1	Confident	100 Å²	100	103.4 Å²	103.4	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-42.2	174.5	-90.4	158.3	0	0	0	112.1	I15 I16 T21 L22 V23	I15-L19 HydrophobicContact CG2-CD1 4.08Å; I15-L19 WeakPolarHBondContact O-CB 3.45Å; I15-L19 PolarHBondContact O-N 2.92Å; I16-L19 PolarHBondContact O-N 3.04Å; L19-T21 PolarHBondContact O-N 2.95Å; L19-L22 PolarHBondContact O-N 2.86Å; L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.21Å; L19-V23 PolarHBondContact O-N 2.82Å
20	F	80.6	Confident	71.9	Confident	150 Å²	150	107.8 Å²	107.8	66%	0.658	55%	0.549	S	S	*	.	H	α-helix	trans	-65.8	-37.8	178.3	-112.7	-86.4	0	0	0	112.8	I16 C17 T24	I16-F20 HydrophobicContact CG2-CD2 4.42Å; I16-F20 PolarHBondContact O-N 2.85Å; C17-F20 PolarHBondContact O-N 3.21Å; F20-T24 PolarHBondContact O-N 3.31Å; F20-T24 PolarHBondContact O-OG1 2.83Å
21	T	81	Confident	70.7	Confident	85 Å²	85	106.2 Å²	106.2	52%	0.521	56%	0.559	S	S	.	*	H	α-helix	trans	-68.5	-40	174.9	41.6	0	0	0	0	111.8	C17 A18 L19 V23 T24 V25	C17-T21 PolarHBondContact O-N 2.97Å; C17-T21 PolarHBondContact O-OG1 2.84Å; A18-T21 VanDerWaalsContact CA-OG1 3.32Å; A18-T21 WeakPolarHBondContact CA-OG1 3.42Å; A18-T21 PolarHBondContact O-OG1 2.99Å; L19-T21 PolarHBondContact O-N 2.95Å; T21-V23 PolarHBondContact O-N 2.83Å; T21-T24 VanDerWaalsContact CA-OG1 3.28Å; T21-T24 WeakPolarHBondContact CA-OG1 3.34Å; T21-T24 PolarHBondContact O-N 3.42Å; T21-T24 PolarHBondContact O-OG1 3.3Å; T21-V25 VanDerWaalsContact O-CG2 3.32Å; T21-V25 WeakPolarHBondContact O-CG2 3.37Å; T21-V25 PolarHBondContact O-N 2.99Å
22	L	78.2	Confident	69.3	Low	108 Å²	108	104.9 Å²	104.9	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-62.9	-43.6	174.6	-160.6	87.1	0	0	0	112	A18 L19 V25 L26	A18-L22 WeakPolarHBondContact O-CB 3.35Å; A18-L22 PolarHBondContact O-N 2.97Å; L19-L22 PolarHBondContact O-N 2.86Å; L22-V25 PolarHBondContact O-N 3.3Å; L22-L26 HydrophobicContact CD2-CD1 4.32Å; L22-L26 HydrophobicContact CG-CD1 4.27Å; L22-L26 WeakPolarHBondContact O-CB 3.21Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.32Å; L22-L26 PolarHBondContact O-N 2.78Å
23	V	80.8	Confident	67.3	Low	72 Å²	72	107.1 Å²	107.1	44%	0.436	58%	0.584	S	S	.	*	H	α-helix	trans	-65.5	-39.5	178.4	171	0	0	0	0	111.5	L19 T21 L26 L27	L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.21Å; L19-V23 PolarHBondContact O-N 2.82Å; T21-V23 PolarHBondContact O-N 2.83Å; V23-L26 PolarHBondContact O-N 2.99Å; V23-L27 HydrophobicContact CG1-CD1 3.84Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 WeakPolarHBondContact O-CB 3.35Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.26Å; V23-L27 PolarHBondContact O-N 3.26Å
24	T	74.8	Confident	65.5	Low	71 Å²	71	109.3 Å²	109.3	44%	0.436	60%	0.597	S	S	.	*	H	α-helix	trans	-67.9	-39.1	177.1	34.5	0	0	0	0	112.3	F20 T21 L27 W28	F20-T24 PolarHBondContact O-N 3.31Å; F20-T24 PolarHBondContact O-OG1 2.83Å; T21-T24 VanDerWaalsContact CA-OG1 3.28Å; T21-T24 WeakPolarHBondContact CA-OG1 3.34Å; T21-T24 PolarHBondContact O-N 3.42Å; T21-T24 PolarHBondContact O-OG1 3.3Å; T24-L27 PolarHBondContact O-N 2.87Å; T24-W28 WeakPolarHBondContact O-CB 3.37Å; T24-W28 PolarHBondContact O-N 2.57Å
25	V	74.5	Confident	63	Low	87 Å²	87	114.1 Å²	114.1	53%	0.527	61%	0.614	S	S	.	*	H	α-helix	trans	-65.6	-40.7	174	172.7	0	0	0	0	111.7	T21 L22 W28 N29	T21-V25 VanDerWaalsContact O-CG2 3.32Å; T21-V25 WeakPolarHBondContact O-CG2 3.37Å; T21-V25 PolarHBondContact O-N 2.99Å; L22-V25 PolarHBondContact O-N 3.3Å; V25-W28 PolarHBondContact O-N 3.15Å; V25-N29 PolarHBondContact O-N 2.92Å
26	L	64.9	Low	60.6	Low	107 Å²	107	113.8 Å²	113.8	56%	0.56	63%	0.627	S	S	*	*	H	α-helix	trans	-66.2	-37	176.8	-74.4	168.8	0	0	0	112.7	L22 V23 K30	L22-L26 HydrophobicContact CD2-CD1 4.32Å; L22-L26 HydrophobicContact CG-CD1 4.27Å; L22-L26 WeakPolarHBondContact O-CB 3.21Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.32Å; L22-L26 PolarHBondContact O-N 2.78Å; V23-L26 PolarHBondContact O-N 2.99Å; L26-K30 PolarHBondContact O-N 2.83Å
27	L	62.7	Low	58.2	Low	111 Å²	111	117.2 Å²	117.2	58%	0.581	65%	0.645	S	S	*	*	H	α-helix	trans	-70.6	-34.6	174.8	-73.2	169	0	0	0	111.9	V23 T24 K30	V23-L27 HydrophobicContact CG1-CD1 3.84Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 WeakPolarHBondContact O-CB 3.35Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.26Å; V23-L27 PolarHBondContact O-N 3.26Å; T24-L27 PolarHBondContact O-N 2.87Å; L27-K30 PolarHBondContact O-N 2.88Å
28	W	50.9	Low	55.8	Low	204 Å²	204	122.3 Å²	122.3	77%	0.773	66%	0.661	S	S	*	*	H	α-helix	trans	-68.5	-41.6	176.9	-148.8	-55	0	0	0	112.1	T24 V25 K30 C31	T24-W28 WeakPolarHBondContact O-CB 3.37Å; T24-W28 PolarHBondContact O-N 2.57Å; V25-W28 PolarHBondContact O-N 3.15Å; W28-K30 VanDerWaalsContact C-N 3.25Å; W28-K30 PolarHBondContact O-N 2.92Å; W28-C31 PolarHBondContact O-N 3.06Å
29	N	46.3	Very low	53	Low	124 Å²	124	129.2 Å²	129.2	66%	0.663	68%	0.682	S	S	*	*	H	α-helix	trans	-68.9	-19.9	177.5	-87.8	-15.2	0	0	0	113.8	V25	V25-N29 PolarHBondContact O-N 2.92Å
30	K	46	Very low	50.6	Low	186 Å²	186	130 Å²	130	81%	0.809	69%	0.692	S	S	*	*	H	α-helix	trans	-83.4	-13.6	175.8	-116.5	-176.9	179.2	-179.2	0	114.3	L26 L27 W28	L26-K30 PolarHBondContact O-N 2.83Å; L27-K30 PolarHBondContact O-N 2.88Å; W28-K30 VanDerWaalsContact C-N 3.25Å; W28-K30 PolarHBondContact O-N 2.92Å
31	C	40.4	Very low	48.1	Very low	119 Å²	119	134.4 Å²	134.4	80%	0.804	71%	0.705	S	S	*	*	S	Bend	trans	-99.1	-0.2	179.9	-78.6	0	0	0	0	114.3	W28	W28-C31 PolarHBondContact O-N 3.06Å
32	S	40.4	Very low	45.5	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	72%	0.721	S	S	*	*			trans	-117.6	28	-174	-161.8	0	0	0	0	114.8
33	S	33.8	Very low	43	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	73%	0.729	S	S	*	*			trans	-112	118.2	170.4	-172.9	0	0	0	0	110.7
34	D	35.9	Very low	40.4	Very low	147 Å²	147	144.3 Å²	144.3	79%	0.786	74%	0.743	S	S	*	*			trans	-52.2	153.4	-171.8	-74.7	-49.1	0	0	0	117.6
35	K	27.4	Very low	38.1	Very low	200 Å²	200	146.2 Å²	146.2	87%	0.87	76%	0.759	S	S	*	*				-157.3	106.1	124.2	-105.4	174.5	-169.1	-175.5	0	111.2
36	A	32.1	Very low	35.8	Very low	99 Å²	99	145.4 Å²	145.4	82%	0.818	77%	0.768	S	S	*	*			trans	-65	131.9	163	0	0	0	0	0	110.2
37	I	28.4	Very low	33.8	Very low	155 Å²	155	149.8 Å²	149.8	80%	0.795	78%	0.783	S	S	*	*			trans	-123.8	107.1	168.1	-62.7	177.5	0	0	0	107.3
38	Q	25.7	Very low	32.1	Very low	178 Å²	178	155.7 Å²	155.7	83%	0.832	80%	0.798	S	S	*	*			trans	-75.3	145	161.3	-81	179.1	-25.1	0	0	109.8
39	F	25.6	Very low	30.9	Very low	199 Å²	199	152.4 Å²	152.4	87%	0.873	80%	0.8	S	S	*	*			trans	-171.4	161.6	145.8	-102.6	-58.4	0	0	0	110.3
40	P	31.7	Very low	30	Very low	115 Å²	115	153.6 Å²	153.6	75%	0.747	81%	0.806	S	S	*	*				-117.4	168.5	-102	41.1	-30.8	0	0	0	116
41	R	29.5	Very low	28.9	Very low	244 Å²	244	147.8 Å²	147.8	92%	0.921	80%	0.8	S	S	*	*			trans	-72.9	133.5	162.2	-87.7	177.6	170.6	169.6	-2.5	111.8
42	R	25.5	Very low	28.2	Very low	227 Å²	227	149.6 Å²	149.6	86%	0.857	80%	0.8	S	S	*	*			trans	-165.3	116.1	146.5	-89.4	-152.6	174.7	-166.5	1.2	108.4
43	L	25.6	Very low	27.5	Very low	142 Å²	142	153.2 Å²	153.2	74%	0.743	81%	0.806	S	S	*	*				109.1	123.7	89.1	-112.8	110	0	0	0	112.1
44	S	27.1	Very low	27.2	Very low	103 Å²	103	157.1 Å²	157.1	72%	0.72	81%	0.809	S	S	*	*			trans	-21.7	139.1	156.1	53.4	0	0	0	0	118.3
45	S	26.1	Very low	26.7	Very low	111 Å²	111	162.2 Å²	162.2	78%	0.776	82%	0.817	S	S	*	*				-153.7	126.4	129	55.2	0	0	0	0	109.4
46	G	25.4	Very low	26.6	Very low	70 Å²	70	157.5 Å²	157.5	72%	0.722	82%	0.815	S	S	*	*			trans	-87	152.1	168.5	0	0	0	0	0	110.2
47	F	24.4	Very low	26.3	Very low	199 Å²	199	157.9 Å²	157.9	87%	0.873	82%	0.819	S	S	*	*			trans	-136.3	113.4	160.2	-95.7	-84.8	0	0	0	108.7
48	R	25.9	Very low	26.1	Very low	235 Å²	235	155.4 Å²	155.4	89%	0.887	82%	0.821	S	S	*	*			trans	-84.2	142.6	155.9	-83.3	-179.2	170.2	-177.6	-3	107.7
49	V	26.7	Very low	26.1	Very low	135 Å²	135	151.9 Å²	151.9	82%	0.818	82%	0.816	S	S	*	*			trans	-143.1	132.2	145.3	-179.3	0	0	0	0	108.3
50	D	25.8	Very low	26.1	Very low	149 Å²	149	151 Å²	151	80%	0.797	82%	0.815	S	S	*	*			trans	-50.8	156.5	173.1	-61.9	-55.5	0	0	0	112.8
51	G	24.4	Very low	25.7	Very low	65 Å²	65	150.2 Å²	150.2	67%	0.67	81%	0.812	S	S	*	*			cis	99.8	114.4	42.3	0	0	0	0	0	109.1
52	L	24.3	Very low	25.5	Very low	156 Å²	156	146.7 Å²	146.7	82%	0.817	81%	0.811	S	S	*	*			trans	149.4	140	166.9	-86.6	156	0	0	0	108.1
53	E	26.2	Very low	25.5	Very low	173 Å²	173	143.1 Å²	143.1	81%	0.808	81%	0.809	S	S	*	*			cis	-166.8	153.1	-9.8	-145.7	172.8	-160.8	0	0	107.6
54	K	27.6	Very low	25.4	Very low	197 Å²	197	148 Å²	148	86%	0.857	82%	0.82	S	S	*	*			trans	-57.9	149.1	173.5	-80.3	163.5	168.2	174.4	0	113
55	R	24.7	Very low	25.3	Very low	255 Å²	255	150.7 Å²	150.7	96%	0.962	82%	0.823	S	S	*	*			trans	-141.1	122.7	134.6	-103.6	-179.4	-177.2	174.9	1	110.9
56	A	26.1	Very low	25.3	Very low	100 Å²	100	151.1 Å²	151.1	83%	0.826	82%	0.816	S	S	*	*			trans	-100.1	147.7	165.8	0	0	0	0	0	108.7
57	A	25.1	Very low	25.3	Very low	108 Å²	108	155.2 Å²	155.2	89%	0.893	82%	0.817	S	S	*	*			trans	-153.2	132	152.2	0	0	0	0	0	109
58	A	25.3	Very low	25.3	Very low	102 Å²	102	152 Å²	152	84%	0.843	81%	0.813	S	S	*	*			trans	-97.6	162.3	-174.9	0	0	0	0	0	112.1
59	S	24.9	Very low	25.2	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	81%	0.807	S	S	*	*			trans	-167	112.3	137.7	54.2	0	0	0	0	108.1
60	E	25	Very low	25.1	Very low	180 Å²	180	148.7 Å²	148.7	84%	0.841	81%	0.811	S	S	*	*				69.1	94	101.9	-72.5	-175.1	172.7	0	0	113
61	S	24.4	Very low	25.1	Very low	99 Å²	99	150.7 Å²	150.7	69%	0.692	82%	0.816	S	S	*	*				72.9	111.2	85.8	70.2	0	0	0	0	115.1
62	N	24.8	Very low	25.1	Very low	169 Å²	169	156.7 Å²	156.7	90%	0.904	83%	0.826	S	S	*	*			trans	-158.4	125	133.1	-109.1	-17	0	0	0	111.8
63	N	24.8	Very low	25.1	Very low	152 Å²	152	154.1 Å²	154.1	81%	0.813	82%	0.822	S	S	*	*			trans	-83.1	139.5	173.7	-84.5	-32.8	0	0	0	110.2
64	Y	25.1	Very low	25	Very low	244 Å²	244	155.2 Å²	155.2	96%	0.957	83%	0.827	S	S	*	*			trans	-146.1	139.1	138.8	-100.5	-79.5	0	0	0	109.3
65	M	24.4	Very low	24.9	Very low	161 Å²	161	154.4 Å²	154.4	79%	0.793	83%	0.826	S	S	*	*			trans	-98.1	158	-162.6	-129.6	-175.1	167.5	0	0	112.5
66	N	25.4	Very low	24.9	Very low	119 Å²	119	146.6 Å²	146.6	64%	0.636	82%	0.816	S	S	*	*			trans	81.1	136.5	153.7	-60.2	-15.5	0	0	0	118.4
67	H	26.3	Very low	24.8	Very low	157 Å²	157	151.7 Å²	151.7	73%	0.727	82%	0.82	S	S	*	*			cis	-171.2	144.2	-5.3	-122.9	-56.5	0	0	0	108.5
68	V	24.4	Very low	24.9	Very low	130 Å²	130	151.9 Å²	151.9	79%	0.788	81%	0.812	S	S	*	*			trans	60.5	127.2	149.6	-164	0	0	0	0	118.2
69	A	24.2	Very low	25	Very low	93 Å²	93	156.2 Å²	156.2	77%	0.769	82%	0.815	S	S	*	*			cis	-145.2	136.5	32.2	0	0	0	0	0	110.6
70	K	25.1	Very low	25.2	Very low	209 Å²	209	158.6 Å²	158.6	91%	0.909	81%	0.814	S	S	*	*			trans	-125.1	117.9	170.3	-138.2	175	-174.5	-179	0	109
71	Q	25.5	Very low	25.6	Very low	191 Å²	191	159.1 Å²	159.1	89%	0.893	82%	0.817	S	S	*	*			trans	-54.2	129.1	169.6	-72.8	162	-43.5	0	0	109.7	S73	Q71-S73 PolarHBondContact O-N 3.26Å
72	Q	23.3	Very low	26.2	Very low	190 Å²	190	160.9 Å²	160.9	89%	0.888	81%	0.814	S	S	*	*			trans	-72.3	113	168.5	-83	174.3	-32.5	0	0	109.1
73	S	24.6	Very low	26.8	Very low	103 Å²	103	162.3 Å²	162.3	72%	0.72	81%	0.812	S	S	*	*			trans	-69.8	115.8	152.6	47	0	0	0	0	108.6	Q71 E75	Q71-S73 PolarHBondContact O-N 3.26Å; S73-E75 PolarHBondContact O-N 3.42Å
74	E	24.4	Very low	27.4	Very low	196 Å²	196	158 Å²	158	92%	0.916	80%	0.798	S	S	*	*			trans	-75.5	109.7	169.8	-85.1	-178	156	0	0	109.7
75	E	25.4	Very low	28.1	Very low	179 Å²	179	151.4 Å²	151.4	84%	0.836	79%	0.785	S	S	*	*			trans	-67.3	156.3	169.3	-75.1	177.1	146.9	0	0	111.7	S73	S73-E75 PolarHBondContact O-N 3.42Å
76	A	25.4	Very low	28.5	Very low	92 Å²	92	149.6 Å²	149.6	76%	0.76	79%	0.785	S	S	*	*			trans	-39.7	134	172.3	0	0	0	0	0	113.8
77	F	23.2	Very low	29.2	Very low	207 Å²	207	150.2 Å²	150.2	91%	0.908	79%	0.793	S	S	*	*			trans	-51.6	127.3	169.5	-84.5	-91.6	0	0	0	110.8
78	P	27.2	Very low	29.5	Very low	111 Å²	111	149 Å²	149	72%	0.721	80%	0.797	S	S	*	*			trans	-68.1	138.4	175.6	6.4	1.7	0	0	0	110	E80	P78-E80 PolarHBondContact O-N 3.37Å
79	Q	27.3	Very low	29.7	Very low	193 Å²	193	145.2 Å²	145.2	90%	0.902	78%	0.784	S	S	*	*			trans	-58.3	103.1	156	-78.6	178.6	-34.2	0	0	107.5	Q81	Q79-Q81 PolarHBondContact O-N 3.31Å
80	E	28.8	Very low	30.1	Very low	156 Å²	156	144.8 Å²	144.8	73%	0.729	79%	0.788	S	S	*	*			trans	-58	108.8	162.1	-89.3	-175.8	161.9	0	0	107.9	P78 Q82	P78-E80 PolarHBondContact O-N 3.37Å; E80-Q82 HydrophobicContact CB-CG 4.32Å; E80-Q82 PolarHBondContact O-N 3.25Å
81	Q	33.7	Very low	30.5	Very low	191 Å²	191	143.7 Å²	143.7	89%	0.893	78%	0.783	S	S	*	*			trans	-62.7	86.4	156.4	-78.9	179.1	-20.7	0	0	107.3	Q79 K83	Q79-Q81 PolarHBondContact O-N 3.31Å; Q81-K83 PolarHBondContact O-N 3.08Å
82	Q	36.4	Very low	30.9	Very low	136 Å²	136	142.8 Å²	142.8	64%	0.636	79%	0.785	S	S	*	*			trans	-65.9	99.8	168	-74.7	-177.9	-10.3	0	0	107.6	E80	E80-Q82 HydrophobicContact CB-CG 4.32Å; E80-Q82 PolarHBondContact O-N 3.25Å
83	K	38.5	Very low	31.4	Very low	198 Å²	198	138.1 Å²	138.1	86%	0.861	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-52.8	140.1	166.2	-86.4	177.9	173.9	175.8	0	109	Q81	Q81-K83 PolarHBondContact O-N 3.08Å
84	A	37.2	Very low	32.1	Very low	63 Å²	63	141.4 Å²	141.4	52%	0.521	78%	0.783	S	S	.	*	P	Polyproline II helix	trans	-49.5	135.9	174.3	0	0	0	0	0	110.6
85	P	39.6	Very low	32.7	Very low	105 Å²	105	138.3 Å²	138.3	68%	0.682	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-61.1	149.4	167	23.1	-24.5	0	0	0	108.7	V87	P85-V87 PolarHBondContact O-N 2.83Å; P85-V87 VanDerWaalsContact O-N 3.11Å
86	P	33.3	Very low	33.5	Very low	122 Å²	122	133.8 Å²	133.8	79%	0.792	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58.8	122.3	-176.7	22.8	-31	0	0	0	109.8	V88	P86-V88 PolarHBondContact O-N 2.94Å; P86-V88 VanDerWaalsContact O-N 3.16Å
87	V	39	Very low	34	Very low	133 Å²	133	134.1 Å²	134.1	81%	0.806	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-58.7	116.4	166.6	177.3	0	0	0	0	106.5	P85 G89	P85-V87 PolarHBondContact O-N 2.83Å; P85-V87 VanDerWaalsContact O-N 3.11Å; V87-G89 PolarHBondContact O-N 3.43Å
88	V	33.4	Very low	34.9	Very low	132 Å²	132	134.2 Å²	134.2	80%	0.8	78%	0.775	S	S	*	*			trans	-61.2	106.4	171.8	177.9	0	0	0	0	106.8	P86	P86-V88 PolarHBondContact O-N 2.94Å; P86-V88 VanDerWaalsContact O-N 3.16Å
89	G	28.7	Very low	35.9	Very low	50 Å²	50	134.7 Å²	134.7	52%	0.515	78%	0.776	S	S	.	*			trans	-60.6	139	-177.9	0	0	0	0	0	111.5	V87 F91	V87-G89 PolarHBondContact O-N 3.43Å; G89-F91 PolarHBondContact O-N 3.02Å
90	G	32.4	Very low	37.2	Very low	83 Å²	83	133.6 Å²	133.6	86%	0.856	78%	0.775	S	S	*	*			trans	-56.7	123	171.2	0	0	0	0	0	110.8	N92	G90-N92 PolarHBondContact O-N 3.47Å
91	F	33	Very low	38.8	Very low	186 Å²	186	128.4 Å²	128.4	82%	0.816	76%	0.763	S	S	*	*			trans	-73.2	105.1	172.4	-85.7	-89.4	0	0	0	109.9	G89	G89-F91 PolarHBondContact O-N 3.02Å
92	N	33.8	Very low	40.7	Very low	172 Å²	172	124.9 Å²	124.9	92%	0.92	75%	0.75	S	S	*	*			trans	-82.1	110.6	153	-106.1	-7.2	0	0	0	107.8	G90	G90-N92 PolarHBondContact O-N 3.47Å
93	S	33.9	Very low	43.3	Very low	92 Å²	92	126 Å²	126	64%	0.643	75%	0.753	S	S	*	*			trans	-148	108.6	158.4	55.6	0	0	0	0	111	V95	S93-V95 PolarHBondContact O-N 2.96Å
94	N	39.3	Very low	46	Very low	173 Å²	173	123.3 Å²	123.3	93%	0.925	74%	0.738	S	S	*	*			trans	-68.2	92.7	161.2	-87	-23.7	0	0	0	108.8
95	V	37.3	Very low	48.8	Very low	131 Å²	131	124 Å²	124	79%	0.794	73%	0.731	S	S	*	*			trans	-152.9	131	152.7	-176	0	0	0	0	108.5	S93 S97	S93-V95 PolarHBondContact O-N 2.96Å; V95-S97 PolarHBondContact O-N 3.2Å; V95-S97 VanDerWaalsContact O-N 3.14Å
96	G	41.9	Very low	51.5	Low	84 Å²	84	123.7 Å²	123.7	87%	0.866	72%	0.72	S	S	*	*			trans	-59.8	111.3	179.8	0	0	0	0	0	113.4
97	S	35.2	Very low	54.6	Low	98 Å²	98	119.9 Å²	119.9	69%	0.685	69%	0.693	S	S	*	*			trans	-150.6	127.3	156.3	175.3	0	0	0	0	107	V95 V99	V95-S97 PolarHBondContact O-N 3.2Å; V95-S97 VanDerWaalsContact O-N 3.14Å; S97-V99 PolarHBondContact O-N 2.94Å
98	K	43.8	Very low	57.4	Low	209 Å²	209	118.2 Å²	118.2	91%	0.909	68%	0.679	S	S	*	*			trans	-65.7	84.1	173	-87.7	177.3	171.9	175.3	0	108.7	L100	K98-L100 PolarHBondContact O-N 2.81Å
99	V	48	Very low	60.5	Low	122 Å²	122	112.8 Å²	112.8	74%	0.739	65%	0.647	S	S	*	*			trans	-72.4	107.3	160.9	-176.6	0	0	0	0	105.5	S97 G101	S97-V99 PolarHBondContact O-N 2.94Å; V99-G101 PolarHBondContact O-N 2.78Å
100	L	53.9	Low	63.9	Low	169 Å²	169	115.1 Å²	115.1	89%	0.885	65%	0.647	S	S	*	*			trans	-61.1	78.7	161.3	-87.4	147.7	0	0	0	107	K98 L102	K98-L100 PolarHBondContact O-N 2.81Å; L100-L102 PolarHBondContact O-N 2.93Å
101	G	62.2	Low	67	Low	47 Å²	47	112.4 Å²	112.4	49%	0.485	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-59.2	125.3	176.9	0	0	0	0	0	108.1	V99 K103	V99-G101 PolarHBondContact O-N 2.78Å; G101-K103 PolarHBondContact O-N 2.76Å; G101-K103 VanDerWaalsContact O-N 3.08Å
102	L	73.9	Confident	70.1	Confident	117 Å²	117	108.3 Å²	108.3	61%	0.613	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-54.3	118.5	173.4	-66	169.1	0	0	0	107.1	L100 E122 G123	L100-L102 PolarHBondContact O-N 2.93Å; L102-E122 HydrophobicContact CB-CG 3.92Å; L102-G123 VanDerWaalsContact CD2-CA 3.42Å
103	K	90	Very high	73.1	Confident	160 Å²	160	107 Å²	107	70%	0.696	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-81.9	130.9	-177.7	-70.1	-176.2	179.8	179	0	108.6	G101 E105 R121	G101-K103 PolarHBondContact O-N 2.76Å; G101-K103 VanDerWaalsContact O-N 3.08Å; K103-E105 PolarHBondContact O-N 3.35Å; K103-R121 VanDerWaalsContact O-O 3.1Å
104	Y	95.6	Very high	76.1	Confident	142 Å²	142	110.8 Å²	110.8	56%	0.557	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.3	107.8	166.3	-171	-107.2	0	0	0	108.9	R120 R121 E122 F127	Y104-R120 HydrophobicContact CD2-CB 4.42Å; Y104-R120 HydrophobicContact CE1-CB 4.17Å; Y104-R120 HydrophobicContact CE1-CG 3.9Å; Y104-R120 HydrophobicContact CE2-CB 3.58Å; Y104-R120 HydrophobicContact CE2-CG 4.17Å; Y104-R120 VanDerWaalsContact CZ-CB 3.46Å; Y104-R120 WeakPolarHBondContact OH-CB 3.42Å; Y104-R120 VanDerWaalsContact OH-CG 3.24Å; Y104-R120 WeakPolarHBondContact OH-CG 3.5Å; Y104-R121 WeakPolarHBondContact CA-O 3.33Å; Y104-E122 HydrophobicContact CD2-CB 4.28Å; Y104-F127 HydrophobicContact CE2-CD2 4.34Å
105	E	95.8	Very high	78.9	Confident	77 Å²	77	108.3 Å²	108.3	36%	0.36	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.9	159.1	-172.7	64.3	-173	-178.7	0	0	112.3	K103 R120 R121	K103-E105 PolarHBondContact O-N 3.35Å; E105-R120 CarbonylContact O-C 3.43Å; E105-R120 VanDerWaalsContact O-CA 3.26Å; E105-R120 WeakPolarHBondContact O-CA 3.34Å; E105-R121 HydrophobicContact CG-CB 4.26Å; E105-R121 PolarHBondContact N-O 2.83Å; E105-R121 PolarHBondContact O-N 2.93Å; E105-R121 IonicContact OE1-CZ 3.69Å; E105-R121 VanDerWaalsContact OE1-CZ 3.22Å; E105-R121 IonicContact OE1-NE 3.96Å; E105-R121 PolarHBondContact OE1-NE 2.93Å; E105-R121 IonicContact OE1-NH2 3.15Å; E105-R121 PolarHBondContact OE1-NH2 3.26Å
106	E	97.8	Very high	81.8	Confident	99 Å²	99	105.2 Å²	105.2	46%	0.463	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.4	141.1	172.6	-176.5	162.7	116.5	0	0	110.4	K118 R120	E106-K118 HydrophobicContact CG-CD 4.25Å; E106-K118 VanDerWaalsContact OE1-CD 3.25Å; E106-K118 WeakPolarHBondContact OE1-CD 3.27Å; E106-K118 VanDerWaalsContact OE1-CE 3.23Å; E106-K118 WeakPolarHBondContact OE1-CE 3.46Å; E106-K118 IonicContact OE1-NZ 2.77Å; E106-K118 PolarHBondContact OE1-NZ 2.88Å; E106-R120 VanDerWaalsContact CB-NH1 3.35Å; E106-R120 IonicContact OE2-CZ 3.19Å; E106-R120 IonicContact OE2-NH1 2.77Å; E106-R120 PolarHBondContact OE2-NH1 2.79Å; E106-R120 IonicContact OE2-NH2 3.44Å; E106-R120 PolarHBondContact OE2-NH2 2.86Å
107	I	98.1	Very high	84.5	Confident	42 Å²	42	102 Å²	102	22%	0.215	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.5	173.4	-172.6	168.7	0	0	0	109.5	G119 R121 V126	I107-G119 PolarHBondContact N-O 2.79Å; I107-G119 PolarHBondContact O-N 3.42Å; I107-R121 HydrophobicContact CB-CB 4.3Å; I107-R121 HydrophobicContact CG2-CB 4.01Å; I107-V126 HydrophobicContact CG2-CG1 4.29Å
108	D	98.4	Very high	87.5	Confident	98 Å²	98	102.5 Å²	102.5	52%	0.524	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.8	171	-75.4	-19.5	0	0	0	109.8	T116 K118	D108-T116 HydrophobicContact CB-CG2 3.66Å; D108-K118 VanDerWaalsContact OD1-CD 3.32Å; D108-K118 WeakPolarHBondContact OD1-CD 3.28Å; D108-K118 WeakPolarHBondContact OD1-CE 3.11Å; D108-K118 IonicContact OD1-NZ 3.54Å; D108-K118 PolarHBondContact OD1-NZ 2.6Å; D108-K118 IonicContact OD2-NZ 3.25Å
109	C	98.4	Very high	90.1	Very high	17 Å²	17	92.6 Å²	92.6	12%	0.115	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	108.2	177	-61.2	0	0	0	0	109.4	I111 T116 I117 L128	C109-I111 HydrophobicContact CB-CD1 4.49Å; C109-T116 WeakPolarHBondContact O-CA 3.5Å; C109-I117 HydrophobicContact CB-CG1 3.81Å; C109-I117 PolarHBondContact N-O 3.1Å; C109-I117 PolarHBondContact O-N 2.85Å; C109-L128 HydrophobicContact CB-CD2 4.07Å
110	L	98.4	Very high	92.5	Very high	99 Å²	99	90.9 Å²	90.9	52%	0.518	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.3	174.5	-176.3	62	0	0	0	109.9	D113	L110-D113 WeakPolarHBondContact CD2-OD1 3.24Å
111	I	98.4	Very high	94.5	Very high	26 Å²	26	87.2 Å²	87.2	13%	0.133	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117	-178.4	-53.1	-55.6	0	0	0	108.8	C109 D113 E114 H115 I117 W132 Y136	C109-I111 HydrophobicContact CB-CD1 4.49Å; I111-D113 PolarHBondContact O-N 3.24Å; I111-E114 PolarHBondContact O-N 2.87Å; I111-H115 PolarHBondContact N-O 3.04Å; I111-H115 PolarHBondContact O-N 2.97Å; I111-I117 HydrophobicContact CD1-CD1 4.06Å; I111-I117 HydrophobicContact CD1-CG1 4.34Å; I111-I117 HydrophobicContact CG1-CD1 4.16Å; I111-I117 HydrophobicContact CG1-CG1 4.23Å; I111-I117 HydrophobicContact CG1-CG2 4.47Å; I111-W132 HydrophobicContact CB-CZ2 4.5Å; I111-W132 HydrophobicContact CD1-CH2 4.16Å; I111-W132 HydrophobicContact CD1-CZ2 3.7Å; I111-W132 HydrophobicContact CG1-CZ2 3.97Å; I111-W132 HydrophobicContact CG2-CZ2 3.7Å; I111-Y136 HydrophobicContact CG2-CD2 4.46Å; I111-Y136 HydrophobicContact CG2-CE2 3.96Å
112	N	97.7	Very high	96.2	Very high	101 Å²	101	89.1 Å²	89.1	54%	0.54	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	33.3	179	-53.8	-33.3	0	0	0	114.1	E114 Y136	N112-E114 PolarHBondContact O-N 2.81Å; N112-E114 VanDerWaalsContact O-N 3.12Å; N112-Y136 PolarHBondContact ND2-OH 2.77Å
113	D	97.9	Very high	97.2	Very high	144 Å²	144	84.6 Å²	84.6	77%	0.77	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	16.3	-177.7	-53.7	-50.4	0	0	0	115.8	L110 I111	L110-D113 WeakPolarHBondContact CD2-OD1 3.24Å; I111-D113 PolarHBondContact O-N 3.24Å
114	E	97.3	Very high	97.4	Very high	172 Å²	172	85.1 Å²	85.1	80%	0.804	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-41.7	-174.4	-73.9	-179.5	178.7	0	0	113.9	I111 N112	I111-E114 PolarHBondContact O-N 2.87Å; N112-E114 PolarHBondContact O-N 2.81Å; N112-E114 VanDerWaalsContact O-N 3.12Å
115	H	96.7	Very high	97.5	Very high	120 Å²	120	84 Å²	84	56%	0.556	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.7	-173.9	-179.3	62.4	0	0	0	111.7	I111	I111-H115 PolarHBondContact N-O 3.04Å; I111-H115 PolarHBondContact O-N 2.97Å
116	T	98.3	Very high	97.7	Very high	67 Å²	67	83.2 Å²	83.2	41%	0.411	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.8	177.7	-58.8	0	0	0	0	110.7	D108 C109	D108-T116 HydrophobicContact CB-CG2 3.66Å; C109-T116 WeakPolarHBondContact O-CA 3.5Å
117	I	98.4	Very high	97.7	Very high	17 Å²	17	82.8 Å²	82.8	9%	0.087	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	162.6	173.3	68.5	176.5	0	0	0	111.1	C109 I111 L128 P129 W132	C109-I117 HydrophobicContact CB-CG1 3.81Å; C109-I117 PolarHBondContact N-O 3.1Å; C109-I117 PolarHBondContact O-N 2.85Å; I111-I117 HydrophobicContact CD1-CD1 4.06Å; I111-I117 HydrophobicContact CD1-CG1 4.34Å; I111-I117 HydrophobicContact CG1-CD1 4.16Å; I111-I117 HydrophobicContact CG1-CG1 4.23Å; I111-I117 HydrophobicContact CG1-CG2 4.47Å; I117-L128 HydrophobicContact CD1-CD2 4.5Å; I117-P129 HydrophobicContact CD1-CG 4.14Å; I117-W132 HydrophobicContact CD1-CB 3.85Å; I117-W132 HydrophobicContact CD1-CD2 3.61Å; I117-W132 HydrophobicContact CD1-CE3 4.08Å; I117-W132 HydrophobicContact CD1-CG 3.47Å; I117-W132 VanDerWaalsContact CD1-CG 3.47Å; I117-W132 HydrophobicContact CG2-CG 4.43Å
118	K	98.5	Very high	97.7	Very high	107 Å²	107	84.3 Å²	84.3	47%	0.465	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.4	175.8	-60.9	-52.6	-164.3	158.2	0	111.3	E106 D108 P129	E106-K118 HydrophobicContact CG-CD 4.25Å; E106-K118 VanDerWaalsContact OE1-CD 3.25Å; E106-K118 WeakPolarHBondContact OE1-CD 3.27Å; E106-K118 VanDerWaalsContact OE1-CE 3.23Å; E106-K118 WeakPolarHBondContact OE1-CE 3.46Å; E106-K118 IonicContact OE1-NZ 2.77Å; E106-K118 PolarHBondContact OE1-NZ 2.88Å; D108-K118 VanDerWaalsContact OD1-CD 3.32Å; D108-K118 WeakPolarHBondContact OD1-CD 3.28Å; D108-K118 WeakPolarHBondContact OD1-CE 3.11Å; D108-K118 IonicContact OD1-NZ 3.54Å; D108-K118 PolarHBondContact OD1-NZ 2.6Å; D108-K118 IonicContact OD2-NZ 3.25Å; K118-P129 WeakPolarHBondContact O-CG 3.45Å
119	G	98.1	Very high	97.7	Very high	2 Å²	2	81.9 Å²	81.9	2%	0.021	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-171.5	171.8	0	0	0	0	0	112.7	I107 F127	I107-G119 PolarHBondContact N-O 2.79Å; I107-G119 PolarHBondContact O-N 3.42Å; G119-F127 WeakPolarHBondContact CA-O 3.28Å
120	R	98.3	Very high	97.7	Very high	85 Å²	85	83.5 Å²	83.5	32%	0.321	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.6	171.5	-63.2	-76.7	-176.6	-102.7	11.5	109.4	Y104 E105 E106 V126 F127	Y104-R120 HydrophobicContact CD2-CB 4.42Å; Y104-R120 HydrophobicContact CE1-CB 4.17Å; Y104-R120 HydrophobicContact CE1-CG 3.9Å; Y104-R120 HydrophobicContact CE2-CB 3.58Å; Y104-R120 HydrophobicContact CE2-CG 4.17Å; Y104-R120 VanDerWaalsContact CZ-CB 3.46Å; Y104-R120 WeakPolarHBondContact OH-CB 3.42Å; Y104-R120 VanDerWaalsContact OH-CG 3.24Å; Y104-R120 WeakPolarHBondContact OH-CG 3.5Å; E105-R120 CarbonylContact O-C 3.43Å; E105-R120 VanDerWaalsContact O-CA 3.26Å; E105-R120 WeakPolarHBondContact O-CA 3.34Å; E106-R120 VanDerWaalsContact CB-NH1 3.35Å; E106-R120 IonicContact OE2-CZ 3.19Å; E106-R120 IonicContact OE2-NH1 2.77Å; E106-R120 PolarHBondContact OE2-NH1 2.79Å; E106-R120 IonicContact OE2-NH2 3.44Å; E106-R120 PolarHBondContact OE2-NH2 2.86Å; R120-V126 CarbonylContact O-C 3.52Å; R120-V126 WeakPolarHBondContact O-CA 3.36Å; R120-F127 HydrophobicContact CB-CB 4.24Å; R120-F127 PolarHBondContact N-O 3.02Å; R120-F127 PolarHBondContact O-N 2.81Å
121	R	97.4	Very high	97.7	Very high	93 Å²	93	83.3 Å²	83.3	35%	0.351	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.1	177.6	-178.2	172	66.7	-173.5	2.9	110	K103 Y104 E105 I107 G123 E125	K103-R121 VanDerWaalsContact O-O 3.1Å; Y104-R121 WeakPolarHBondContact CA-O 3.33Å; E105-R121 HydrophobicContact CG-CB 4.26Å; E105-R121 PolarHBondContact N-O 2.83Å; E105-R121 PolarHBondContact O-N 2.93Å; E105-R121 IonicContact OE1-CZ 3.69Å; E105-R121 VanDerWaalsContact OE1-CZ 3.22Å; E105-R121 IonicContact OE1-NE 3.96Å; E105-R121 PolarHBondContact OE1-NE 2.93Å; E105-R121 IonicContact OE1-NH2 3.15Å; E105-R121 PolarHBondContact OE1-NH2 3.26Å; I107-R121 HydrophobicContact CB-CB 4.3Å; I107-R121 HydrophobicContact CG2-CB 4.01Å; R121-G123 WeakPolarHBondContact CD-O 3.46Å; R121-G123 WeakPolarHBondContact CG-O 3.33Å; R121-E125 VanDerWaalsContact CA-O 3.31Å; R121-E125 WeakPolarHBondContact CA-O 3.21Å
122	E	97.1	Very high	97.7	Very high	87 Å²	87	84.1 Å²	84.1	41%	0.407	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	103.2	169	-168	175.6	175.8	0	0	108.8	L102 Y104 N124 E125 F127	L102-E122 HydrophobicContact CB-CG 3.92Å; Y104-E122 HydrophobicContact CD2-CB 4.28Å; E122-N124 PolarHBondContact O-N 3.1Å; E122-E125 PolarHBondContact N-O 2.82Å; E122-E125 PolarHBondContact O-N 2.88Å; E122-E125 VanDerWaalsContact O-N 3.13Å; E122-F127 HydrophobicContact CB-CE2 4.01Å
123	G	93.9	Very high	97.8	Very high	21 Å²	21	80.8 Å²	80.8	22%	0.216	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-117.3	-170.4	0	0	0	0	0	111.6	L102 R121	L102-G123 VanDerWaalsContact CD2-CA 3.42Å; R121-G123 WeakPolarHBondContact CD-O 3.46Å; R121-G123 WeakPolarHBondContact CG-O 3.33Å
124	N	96	Very high	97.8	Very high	172 Å²	172	77.4 Å²	77.4	92%	0.92	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-13.4	179.2	-65.6	-15.4	0	0	0	113.2	E122	E122-N124 PolarHBondContact O-N 3.1Å
125	E	97.8	Very high	97.8	Very high	117 Å²	117	77 Å²	77	55%	0.547	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.9	-175.9	-164.7	62.7	-140.3	0	0	110.4	R121 E122 F127	R121-E125 VanDerWaalsContact CA-O 3.31Å; R121-E125 WeakPolarHBondContact CA-O 3.21Å; E122-E125 PolarHBondContact N-O 2.82Å; E122-E125 PolarHBondContact O-N 2.88Å; E122-E125 VanDerWaalsContact O-N 3.13Å; E125-F127 HydrophobicContact CB-CE2 3.92Å; E125-F127 HydrophobicContact CB-CZ 4.09Å; E125-F127 HydrophobicContact CG-CD2 4.4Å; E125-F127 HydrophobicContact CG-CE1 4.06Å; E125-F127 HydrophobicContact CG-CE2 3.73Å; E125-F127 HydrophobicContact CG-CZ 3.53Å
126	V	98.1	Very high	97.9	Very high	61 Å²	61	76.4 Å²	76.4	37%	0.37	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.6	176.8	179	0	0	0	0	109.2	I107 R120 L128	I107-V126 HydrophobicContact CG2-CG1 4.29Å; R120-V126 CarbonylContact O-C 3.52Å; R120-V126 WeakPolarHBondContact O-CA 3.36Å; V126-L128 HydrophobicContact CG1-CD2 4.3Å
127	F	98.3	Very high	97.9	Very high	91 Å²	91	78.9 Å²	78.9	40%	0.399	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.1	179.3	-55.4	-94.1	0	0	0	109.9	Y104 G119 R120 E122 E125	Y104-F127 HydrophobicContact CE2-CD2 4.34Å; G119-F127 WeakPolarHBondContact CA-O 3.28Å; R120-F127 HydrophobicContact CB-CB 4.24Å; R120-F127 PolarHBondContact N-O 3.02Å; R120-F127 PolarHBondContact O-N 2.81Å; E122-F127 HydrophobicContact CB-CE2 4.01Å; E125-F127 HydrophobicContact CB-CE2 3.92Å; E125-F127 HydrophobicContact CB-CZ 4.09Å; E125-F127 HydrophobicContact CG-CD2 4.4Å; E125-F127 HydrophobicContact CG-CE1 4.06Å; E125-F127 HydrophobicContact CG-CE2 3.73Å; E125-F127 HydrophobicContact CG-CZ 3.53Å
128	L	98.6	Very high	97.9	Very high	74 Å²	74	83 Å²	83	39%	0.387	40%	0.4	S	S	.	.			trans	-98.5	141.7	178.1	-59.3	-179.9	0	0	0	110.9	C109 I117 V126 F130 W132 V133	C109-L128 HydrophobicContact CB-CD2 4.07Å; I117-L128 HydrophobicContact CD1-CD2 4.5Å; V126-L128 HydrophobicContact CG1-CD2 4.3Å; L128-F130 PolarHBondContact O-N 2.84Å; L128-W132 HydrophobicContact CB-CE3 4.32Å; L128-W132 HydrophobicContact CB-CZ3 4.45Å; L128-W132 HydrophobicContact CD1-CE3 4.16Å; L128-W132 HydrophobicContact CD1-CH2 4.23Å; L128-W132 HydrophobicContact CD1-CZ3 3.54Å; L128-V133 HydrophobicContact CB-CG2 4.32Å
129	P	98.4	Very high	97.9	Very high	46 Å²	46	78.1 Å²	78.1	30%	0.299	38%	0.38	S	S	.	.			trans	-68	130	-179.8	27.9	-34.2	0	0	0	110.8	I117 K118 T131 W132 V133	I117-P129 HydrophobicContact CD1-CG 4.14Å; K118-P129 WeakPolarHBondContact O-CG 3.45Å; P129-T131 PolarHBondContact O-N 3.05Å; P129-T131 VanDerWaalsContact O-N 3.14Å; P129-W132 HydrophobicContact CG-CB 4.14Å; P129-W132 PolarHBondContact O-N 3.29Å; P129-V133 PolarHBondContact O-N 3.32Å
130	F	98.6	Very high	97.9	Very high	51 Å²	51	81.2 Å²	81.2	22%	0.224	39%	0.391	C	S	.	.	H	α-helix	trans	-60.3	-28.1	-179	-173.7	-105.3	0	0	0	113.1	L128 W132 V133 E134 V139 F152 F154	L128-F130 PolarHBondContact O-N 2.84Å; F130-W132 PolarHBondContact O-N 2.78Å; F130-V133 HydrophobicContact CD2-CB 3.93Å; F130-V133 HydrophobicContact CD2-CG1 4.02Å; F130-V133 HydrophobicContact CE2-CB 4.31Å; F130-V133 HydrophobicContact CE2-CG1 4.03Å; F130-V133 PolarHBondContact O-N 2.82Å; F130-V133 VanDerWaalsContact O-N 3.12Å; F130-E134 HydrophobicContact CD1-CB 4.3Å; F130-E134 HydrophobicContact CE1-CB 3.83Å; F130-E134 HydrophobicContact CE1-CG 4.45Å; F130-E134 HydrophobicContact CZ-CB 3.99Å; F130-E134 VanDerWaalsContact O-CB 3.29Å; F130-E134 WeakPolarHBondContact O-CB 3.24Å; F130-E134 PolarHBondContact O-N 3.03Å; F130-V139 HydrophobicContact CE2-CG2 4.31Å; F130-F152 HydrophobicContact CB-CZ 4.37Å; F130-F152 AromaticContact CD1-CE2 3.77Å; F130-F152 HydrophobicContact CD1-CE2 3.77Å; F130-F152 AromaticContact CD1-CZ 3.53Å; F130-F152 HydrophobicContact CD1-CZ 3.53Å; F130-F152 HydrophobicContact CD2-CE1 4.12Å; F130-F152 AromaticContact CD2-CZ 3.58Å; F130-F152 HydrophobicContact CD2-CZ 3.58Å; F130-F152 HydrophobicContact CE1-CE2 4.03Å; F130-F152 AromaticContact CE1-CZ 3.63Å; F130-F152 HydrophobicContact CE1-CZ 3.63Å; F130-F152 HydrophobicContact CE2-CE1 4.27Å; F130-F152 AromaticContact CE2-CZ 3.69Å; F130-F152 HydrophobicContact CE2-CZ 3.69Å; F130-F152 HydrophobicContact CG-CE1 4.38Å; F130-F152 HydrophobicContact CG-CE2 4.06Å; F130-F152 AromaticContact CG-CZ 3.52Å; F130-F152 HydrophobicContact CG-CZ 3.52Å; F130-F152 AromaticContact CZ-CZ 3.73Å; F130-F152 HydrophobicContact CZ-CZ 3.73Å; F130-F154 AromaticContact CE2-CD2 3.76Å; F130-F154 HydrophobicContact CE2-CD2 3.76Å; F130-F154 AromaticContact CE2-CE2 4Å; F130-F154 HydrophobicContact CE2-CE2 4Å; F130-F154 HydrophobicContact CZ-CD2 4.28Å
131	T	98.3	Very high	97.8	Very high	96 Å²	96	78.3 Å²	78.3	59%	0.589	39%	0.388	S	S	*	.	H	α-helix	trans	-56.6	-32.6	173.1	-53	0	0	0	0	113.2	P129	P129-T131 PolarHBondContact O-N 3.05Å; P129-T131 VanDerWaalsContact O-N 3.14Å
132	W	98.3	Very high	97.9	Very high	42 Å²	42	80.2 Å²	80.2	16%	0.159	40%	0.399	C	S	.	.	H	α-helix	trans	-80.4	-46.2	172.6	171.5	84.3	0	0	0	111	I111 I117 L128 P129 F130 E134 K135 Y136 F137	I111-W132 HydrophobicContact CB-CZ2 4.5Å; I111-W132 HydrophobicContact CD1-CH2 4.16Å; I111-W132 HydrophobicContact CD1-CZ2 3.7Å; I111-W132 HydrophobicContact CG1-CZ2 3.97Å; I111-W132 HydrophobicContact CG2-CZ2 3.7Å; I117-W132 HydrophobicContact CD1-CB 3.85Å; I117-W132 HydrophobicContact CD1-CD2 3.61Å; I117-W132 HydrophobicContact CD1-CE3 4.08Å; I117-W132 HydrophobicContact CD1-CG 3.47Å; I117-W132 VanDerWaalsContact CD1-CG 3.47Å; I117-W132 HydrophobicContact CG2-CG 4.43Å; L128-W132 HydrophobicContact CB-CE3 4.32Å; L128-W132 HydrophobicContact CB-CZ3 4.45Å; L128-W132 HydrophobicContact CD1-CE3 4.16Å; L128-W132 HydrophobicContact CD1-CH2 4.23Å; L128-W132 HydrophobicContact CD1-CZ3 3.54Å; P129-W132 HydrophobicContact CG-CB 4.14Å; P129-W132 PolarHBondContact O-N 3.29Å; F130-W132 PolarHBondContact O-N 2.78Å; W132-E134 VanDerWaalsContact C-N 3.33Å; W132-E134 PolarHBondContact O-N 2.82Å; W132-K135 PolarHBondContact O-N 3.28Å; W132-Y136 AromaticContact CE2-CD2 3.92Å; W132-Y136 AromaticContact CE2-CG 3.75Å; W132-Y136 AromaticContact CH2-CD1 3.86Å; W132-Y136 HydrophobicContact CH2-CD1 3.86Å; W132-Y136 HydrophobicContact CH2-CE1 4.3Å; W132-Y136 HydrophobicContact CH2-CG 4.06Å; W132-Y136 AromaticContact CZ2-CD1 3.66Å; W132-Y136 HydrophobicContact CZ2-CD1 3.66Å; W132-Y136 AromaticContact CZ2-CD2 3.67Å; W132-Y136 HydrophobicContact CZ2-CD2 3.67Å; W132-Y136 HydrophobicContact CZ2-CE1 4.1Å; W132-Y136 HydrophobicContact CZ2-CE2 4.1Å; W132-Y136 AromaticContact CZ2-CG 3.43Å; W132-Y136 HydrophobicContact CZ2-CG 3.43Å; W132-Y136 VanDerWaalsContact CZ2-CG 3.43Å; W132-Y136 AromaticContact NE1-CD2 3.86Å; W132-Y136 VanDerWaalsContact O-CB 3.25Å; W132-Y136 WeakPolarHBondContact O-CB 3.34Å; W132-Y136 PolarHBondContact O-N 2.89Å; W132-F137 AromaticContact CH2-CE2 3.86Å; W132-F137 HydrophobicContact CH2-CE2 3.86Å; W132-F137 HydrophobicContact CH2-CZ 4.3Å; W132-F137 AromaticContact CZ3-CE2 3.85Å; W132-F137 HydrophobicContact CZ3-CE2 3.85Å
133	V	98.6	Very high	97.9	Very high	31 Å²	31	80.4 Å²	80.4	19%	0.188	41%	0.406	C	S	.	.	H	α-helix	trans	-55.3	-46.6	179.6	177.4	0	0	0	0	111.6	L128 P129 F130 K135 Y136 F137 V139	L128-V133 HydrophobicContact CB-CG2 4.32Å; P129-V133 PolarHBondContact O-N 3.32Å; F130-V133 HydrophobicContact CD2-CB 3.93Å; F130-V133 HydrophobicContact CD2-CG1 4.02Å; F130-V133 HydrophobicContact CE2-CB 4.31Å; F130-V133 HydrophobicContact CE2-CG1 4.03Å; F130-V133 PolarHBondContact O-N 2.82Å; F130-V133 VanDerWaalsContact O-N 3.12Å; V133-K135 PolarHBondContact O-N 3.35Å; V133-Y136 PolarHBondContact O-N 2.83Å; V133-F137 HydrophobicContact CG1-CD2 3.9Å; V133-F137 WeakPolarHBondContact O-CB 3.35Å; V133-F137 PolarHBondContact O-N 2.97Å; V133-V139 HydrophobicContact CG1-CG2 4Å
134	E	98.4	Very high	98.1	Very high	74 Å²	74	81 Å²	81	35%	0.346	41%	0.405	S	S	.	.	H	α-helix	trans	-52.9	-50.3	177.6	171	171.4	-122.8	0	0	111.6	F130 W132 D138 V139	F130-E134 HydrophobicContact CD1-CB 4.3Å; F130-E134 HydrophobicContact CE1-CB 3.83Å; F130-E134 HydrophobicContact CE1-CG 4.45Å; F130-E134 HydrophobicContact CZ-CB 3.99Å; F130-E134 VanDerWaalsContact O-CB 3.29Å; F130-E134 WeakPolarHBondContact O-CB 3.24Å; F130-E134 PolarHBondContact O-N 3.03Å; W132-E134 VanDerWaalsContact C-N 3.33Å; W132-E134 PolarHBondContact O-N 2.82Å; E134-D138 WeakPolarHBondContact O-CA 3.15Å; E134-D138 PolarHBondContact O-N 3.42Å; E134-V139 WeakPolarHBondContact CA-O 3.33Å; E134-V139 WeakPolarHBondContact CG-O 3.2Å; E134-V139 PolarHBondContact O-N 3.31Å; E134-V139 VanDerWaalsContact O-N 3.14Å
135	K	97.9	Very high	98.1	Very high	164 Å²	164	80.4 Å²	80.4	71%	0.713	40%	0.397	S	S	*	.	H	α-helix	trans	-78.2	-38.5	-176.7	-67.3	-180	-179.7	175.8	0	113.1	W132 V133	W132-K135 PolarHBondContact O-N 3.28Å; V133-K135 PolarHBondContact O-N 3.35Å
136	Y	98.3	Very high	98	Very high	106 Å²	106	78.6 Å²	78.6	42%	0.416	39%	0.385	S	S	.	.	H	α-helix	trans	-73.8	-40	-174.4	-174.1	-90.7	0	0	0	111.8	I111 N112 W132 V133	I111-Y136 HydrophobicContact CG2-CD2 4.46Å; I111-Y136 HydrophobicContact CG2-CE2 3.96Å; N112-Y136 PolarHBondContact ND2-OH 2.77Å; W132-Y136 AromaticContact CE2-CD2 3.92Å; W132-Y136 AromaticContact CE2-CG 3.75Å; W132-Y136 AromaticContact CH2-CD1 3.86Å; W132-Y136 HydrophobicContact CH2-CD1 3.86Å; W132-Y136 HydrophobicContact CH2-CE1 4.3Å; W132-Y136 HydrophobicContact CH2-CG 4.06Å; W132-Y136 AromaticContact CZ2-CD1 3.66Å; W132-Y136 HydrophobicContact CZ2-CD1 3.66Å; W132-Y136 AromaticContact CZ2-CD2 3.67Å; W132-Y136 HydrophobicContact CZ2-CD2 3.67Å; W132-Y136 HydrophobicContact CZ2-CE1 4.1Å; W132-Y136 HydrophobicContact CZ2-CE2 4.1Å; W132-Y136 AromaticContact CZ2-CG 3.43Å; W132-Y136 HydrophobicContact CZ2-CG 3.43Å; W132-Y136 VanDerWaalsContact CZ2-CG 3.43Å; W132-Y136 AromaticContact NE1-CD2 3.86Å; W132-Y136 VanDerWaalsContact O-CB 3.25Å; W132-Y136 WeakPolarHBondContact O-CB 3.34Å; W132-Y136 PolarHBondContact O-N 2.89Å; V133-Y136 PolarHBondContact O-N 2.83Å
137	F	98.1	Very high	97.9	Very high	119 Å²	119	83.6 Å²	83.6	52%	0.522	41%	0.41	S	S	.	.	H	α-helix	trans	-99.2	-2.2	179.2	-64	-73.2	0	0	0	114	W132 V133 V139	W132-F137 AromaticContact CH2-CE2 3.86Å; W132-F137 HydrophobicContact CH2-CE2 3.86Å; W132-F137 HydrophobicContact CH2-CZ 4.3Å; W132-F137 AromaticContact CZ3-CE2 3.85Å; W132-F137 HydrophobicContact CZ3-CE2 3.85Å; V133-F137 HydrophobicContact CG1-CD2 3.9Å; V133-F137 WeakPolarHBondContact O-CB 3.35Å; V133-F137 PolarHBondContact O-N 2.97Å; F137-V139 HydrophobicContact CB-CG1 4.01Å; F137-V139 HydrophobicContact CB-CG2 4.02Å
138	D	98.1	Very high	97.8	Very high	103 Å²	103	83 Å²	83	55%	0.551	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	54.6	-174.4	-170.5	25.5	0	0	0	112.7	E134 Y140	E134-D138 WeakPolarHBondContact O-CA 3.15Å; E134-D138 PolarHBondContact O-N 3.42Å; D138-Y140 PolarHBondContact OD1-OH 3.34Å
139	V	98.4	Very high	97.7	Very high	5 Å²	5	83.3 Å²	83.3	3%	0.03	43%	0.426	C	S	.	.			trans	-123.2	162.8	-176.3	-67.8	0	0	0	0	110.9	F130 V133 E134 F137 F154	F130-V139 HydrophobicContact CE2-CG2 4.31Å; V133-V139 HydrophobicContact CG1-CG2 4Å; E134-V139 WeakPolarHBondContact CA-O 3.33Å; E134-V139 WeakPolarHBondContact CG-O 3.2Å; E134-V139 PolarHBondContact O-N 3.31Å; E134-V139 VanDerWaalsContact O-N 3.14Å; F137-V139 HydrophobicContact CB-CG1 4.01Å; F137-V139 HydrophobicContact CB-CG2 4.02Å; V139-F154 HydrophobicContact CB-CE2 3.67Å; V139-F154 HydrophobicContact CB-CZ 3.81Å; V139-F154 HydrophobicContact CG1-CE2 4.27Å; V139-F154 HydrophobicContact CG1-CZ 3.92Å; V139-F154 HydrophobicContact CG2-CE2 3.57Å; V139-F154 HydrophobicContact CG2-CZ 4.07Å
140	Y	98.4	Very high	97.6	Very high	68 Å²	68	85.8 Å²	85.8	27%	0.267	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.3	-166.7	-52.3	-90	0	0	0	111.3	D138 S155 Y158 W577	D138-Y140 PolarHBondContact OD1-OH 3.34Å; Y140-S155 PolarHBondContact N-O 2.95Å; Y140-S155 PolarHBondContact O-N 3.44Å; Y140-Y158 AromaticContact CE1-CD1 3.84Å; Y140-Y158 HydrophobicContact CE1-CD1 3.84Å; Y140-Y158 HydrophobicContact CE1-CE1 4.5Å; Y140-Y158 AromaticContact CE2-CD1 3.84Å; Y140-Y158 HydrophobicContact CE2-CD1 3.84Å; Y140-Y158 AromaticContact CZ-CD1 3.42Å; Y140-Y158 VanDerWaalsContact CZ-CD1 3.42Å; Y140-Y158 AromaticContact CZ-CE1 3.96Å; Y140-Y158 WeakPolarHBondContact OH-CD1 3.22Å; Y140-Y158 WeakPolarHBondContact OH-CE1 3.17Å; Y140-W577 AromaticContact CE2-CD1 3.96Å
141	G	97.6	Very high	97.6	Very high	24 Å²	24	87.9 Å²	87.9	25%	0.247	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	153.1	175.2	0	0	0	0	0	113.6	E153	G141-E153 VanDerWaalsContact CA-O 3.22Å; G141-E153 WeakPolarHBondContact CA-O 3.36Å
142	K	97.6	Very high	97.6	Very high	132 Å²	132	87.9 Å²	87.9	57%	0.574	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.9	152.4	176.2	59.4	177.1	-179.1	174.3	0	111.2	V144 E153	K142-V144 HydrophobicContact CD-CG2 4.16Å; K142-V144 HydrophobicContact CG-CG2 4.03Å; K142-E153 PolarHBondContact N-O 3.43Å; K142-E153 VanDerWaalsContact N-O 3.15Å; K142-E153 PolarHBondContact O-N 3.15Å
143	V	98.1	Very high	97.6	Very high	92 Å²	92	89 Å²	89	56%	0.558	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.6	167.2	-178.1	0	0	0	0	108.4	D150 R151 F152	V143-D150 HydrophobicContact CG1-CB 3.9Å; V143-R151 WeakPolarHBondContact CA-O 3.48Å; V143-F152 HydrophobicContact CG2-CD2 4.23Å
144	V	97.6	Very high	97.6	Very high	33 Å²	33	93.1 Å²	93.1	20%	0.2	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.2	176.3	-177.7	0	0	0	0	108.3	K142 Y146 R151 E153	K142-V144 HydrophobicContact CD-CG2 4.16Å; K142-V144 HydrophobicContact CG-CG2 4.03Å; V144-Y146 HydrophobicContact CB-CE2 3.76Å; V144-Y146 HydrophobicContact CG1-CD2 4.33Å; V144-Y146 HydrophobicContact CG1-CE1 4.49Å; V144-Y146 HydrophobicContact CG1-CE2 3.63Å; V144-Y146 WeakPolarHBondContact O-CD2 3.17Å; V144-R151 PolarHBondContact N-O 2.92Å; V144-R151 PolarHBondContact O-N 3.16Å; V144-E153 HydrophobicContact CG2-CG 4.01Å
145	Q	97.1	Very high	97.6	Very high	160 Å²	160	91.5 Å²	91.5	75%	0.748	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.8	178.1	-57.9	-171.7	-42.9	0	0	109.4	D150	Q145-D150 WeakPolarHBondContact CA-OD1 3.46Å; Q145-D150 WeakPolarHBondContact CG-OD1 3.26Å
146	Y	95.8	Very high	97.6	Very high	78 Å²	78	85.9 Å²	85.9	31%	0.306	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	168.2	171.2	-64.9	-89.1	0	0	0	109.5	V144 G148 Y149 R151 E153	V144-Y146 HydrophobicContact CB-CE2 3.76Å; V144-Y146 HydrophobicContact CG1-CD2 4.33Å; V144-Y146 HydrophobicContact CG1-CE1 4.49Å; V144-Y146 HydrophobicContact CG1-CE2 3.63Å; V144-Y146 WeakPolarHBondContact O-CD2 3.17Å; Y146-G148 PolarHBondContact O-N 3.13Å; Y146-Y149 CarbonylContact C-O 3.52Å; Y146-Y149 WeakPolarHBondContact CA-O 3.29Å; Y146-Y149 WeakPolarHBondContact CB-O 3.21Å; Y146-Y149 HydrophobicContact CD2-CD2 4.31Å; Y146-Y149 AromaticContact CD2-CE2 3.69Å; Y146-Y149 HydrophobicContact CD2-CE2 3.69Å; Y146-Y149 AromaticContact CD2-CZ 3.9Å; Y146-Y149 HydrophobicContact CE2-CE2 4.48Å; Y146-Y149 HydrophobicContact CG-CE1 4.13Å; Y146-Y149 AromaticContact CG-CE2 3.96Å; Y146-Y149 HydrophobicContact CG-CE2 3.96Å; Y146-Y149 AromaticContact CG-CZ 3.67Å; Y146-Y149 PolarHBondContact N-O 2.86Å; Y146-Y149 PolarHBondContact O-N 3.18Å; Y146-Y149 VanDerWaalsContact O-O 3.13Å; Y146-R151 HydrophobicContact CD2-CB 4.03Å; Y146-R151 HydrophobicContact CE2-CB 3.8Å; Y146-R151 PolarHBondContact OH-NH2 2.92Å; Y146-E153 PolarHBondContact OH-OE1 2.97Å
147	D	95.4	Very high	97.6	Very high	166 Å²	166	81.1 Å²	81.1	89%	0.888	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	110.6	174.5	-168.8	13.5	0	0	0	110.1	Y149	D147-Y149 PolarHBondContact O-N 3Å
148	G	95.5	Very high	97.4	Very high	78 Å²	78	79.8 Å²	79.8	80%	0.804	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	1.2	178.5	0	0	0	0	0	116.8	Y146	Y146-G148 PolarHBondContact O-N 3.13Å
149	Y	96.3	Very high	97.2	Very high	81 Å²	81	77 Å²	77	32%	0.318	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	155.9	174.4	72	-81.8	0	0	0	113.6	Y146 D147 R151	Y146-Y149 CarbonylContact C-O 3.52Å; Y146-Y149 WeakPolarHBondContact CA-O 3.29Å; Y146-Y149 WeakPolarHBondContact CB-O 3.21Å; Y146-Y149 HydrophobicContact CD2-CD2 4.31Å; Y146-Y149 AromaticContact CD2-CE2 3.69Å; Y146-Y149 HydrophobicContact CD2-CE2 3.69Å; Y146-Y149 AromaticContact CD2-CZ 3.9Å; Y146-Y149 HydrophobicContact CE2-CE2 4.48Å; Y146-Y149 HydrophobicContact CG-CE1 4.13Å; Y146-Y149 AromaticContact CG-CE2 3.96Å; Y146-Y149 HydrophobicContact CG-CE2 3.96Å; Y146-Y149 AromaticContact CG-CZ 3.67Å; Y146-Y149 PolarHBondContact N-O 2.86Å; Y146-Y149 PolarHBondContact O-N 3.18Å; Y146-Y149 VanDerWaalsContact O-O 3.13Å; D147-Y149 PolarHBondContact O-N 3Å; Y149-R151 HydrophobicContact CD2-CB 4.32Å; Y149-R151 HydrophobicContact CE2-CB 4.01Å
150	D	97.4	Very high	97.1	Very high	98 Å²	98	84.8 Å²	84.8	52%	0.524	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.4	171.7	-75	-1.6	0	0	0	110.3	V143 Q145	V143-D150 HydrophobicContact CG1-CB 3.9Å; Q145-D150 WeakPolarHBondContact CA-OD1 3.46Å; Q145-D150 WeakPolarHBondContact CG-OD1 3.26Å
151	R	98.3	Very high	97	Very high	95 Å²	95	83.4 Å²	83.4	36%	0.358	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.1	177.5	-172.6	172.4	71.3	-174.7	7.2	111.1	V143 V144 Y146 Y149 E153	V143-R151 WeakPolarHBondContact CA-O 3.48Å; V144-R151 PolarHBondContact N-O 2.92Å; V144-R151 PolarHBondContact O-N 3.16Å; Y146-R151 HydrophobicContact CD2-CB 4.03Å; Y146-R151 HydrophobicContact CE2-CB 3.8Å; Y146-R151 PolarHBondContact OH-NH2 2.92Å; Y149-R151 HydrophobicContact CD2-CB 4.32Å; Y149-R151 HydrophobicContact CE2-CB 4.01Å; R151-E153 IonicContact CZ-OE1 3.66Å; R151-E153 IonicContact NE-OE1 3.66Å; R151-E153 IonicContact NH2-OE1 2.81Å; R151-E153 PolarHBondContact NH2-OE1 2.87Å
152	F	98.3	Very high	97	Very high	96 Å²	96	84 Å²	84	42%	0.421	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.9	168.2	-179	-103.1	0	0	0	109.9	F130 V143 F154	F130-F152 HydrophobicContact CB-CZ 4.37Å; F130-F152 AromaticContact CD1-CE2 3.77Å; F130-F152 HydrophobicContact CD1-CE2 3.77Å; F130-F152 AromaticContact CD1-CZ 3.53Å; F130-F152 HydrophobicContact CD1-CZ 3.53Å; F130-F152 HydrophobicContact CD2-CE1 4.12Å; F130-F152 AromaticContact CD2-CZ 3.58Å; F130-F152 HydrophobicContact CD2-CZ 3.58Å; F130-F152 HydrophobicContact CE1-CE2 4.03Å; F130-F152 AromaticContact CE1-CZ 3.63Å; F130-F152 HydrophobicContact CE1-CZ 3.63Å; F130-F152 HydrophobicContact CE2-CE1 4.27Å; F130-F152 AromaticContact CE2-CZ 3.69Å; F130-F152 HydrophobicContact CE2-CZ 3.69Å; F130-F152 HydrophobicContact CG-CE1 4.38Å; F130-F152 HydrophobicContact CG-CE2 4.06Å; F130-F152 AromaticContact CG-CZ 3.52Å; F130-F152 HydrophobicContact CG-CZ 3.52Å; F130-F152 AromaticContact CZ-CZ 3.73Å; F130-F152 HydrophobicContact CZ-CZ 3.73Å; V143-F152 HydrophobicContact CG2-CD2 4.23Å; F152-F154 HydrophobicContact CE1-CB 4Å
153	E	98.3	Very high	96.9	Very high	67 Å²	67	81.5 Å²	81.5	31%	0.313	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.3	176.1	-61.2	-163.4	144.8	0	0	110	G141 K142 V144 Y146 R151	G141-E153 VanDerWaalsContact CA-O 3.22Å; G141-E153 WeakPolarHBondContact CA-O 3.36Å; K142-E153 PolarHBondContact N-O 3.43Å; K142-E153 VanDerWaalsContact N-O 3.15Å; K142-E153 PolarHBondContact O-N 3.15Å; V144-E153 HydrophobicContact CG2-CG 4.01Å; Y146-E153 PolarHBondContact OH-OE1 2.97Å; R151-E153 IonicContact CZ-OE1 3.66Å; R151-E153 IonicContact NE-OE1 3.66Å; R151-E153 IonicContact NH2-OE1 2.81Å; R151-E153 PolarHBondContact NH2-OE1 2.87Å
154	F	98.6	Very high	96.8	Very high	117 Å²	117	79.6 Å²	79.6	51%	0.513	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142	175	175.9	-94.6	0	0	0	111.3	F130 V139 F152 H156	F130-F154 AromaticContact CE2-CD2 3.76Å; F130-F154 HydrophobicContact CE2-CD2 3.76Å; F130-F154 AromaticContact CE2-CE2 4Å; F130-F154 HydrophobicContact CE2-CE2 4Å; F130-F154 HydrophobicContact CZ-CD2 4.28Å; V139-F154 HydrophobicContact CB-CE2 3.67Å; V139-F154 HydrophobicContact CB-CZ 3.81Å; V139-F154 HydrophobicContact CG1-CE2 4.27Å; V139-F154 HydrophobicContact CG1-CZ 3.92Å; V139-F154 HydrophobicContact CG2-CE2 3.57Å; V139-F154 HydrophobicContact CG2-CZ 4.07Å; F152-F154 HydrophobicContact CE1-CB 4Å; F154-H156 HydrophobicContact CE1-CB 4.48Å
155	S	98.3	Very high	96.8	Very high	39 Å²	39	85.3 Å²	85.3	27%	0.273	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.3	171.9	-166.5	0	0	0	0	110.7	Y140 S157	Y140-S155 PolarHBondContact N-O 2.95Å; Y140-S155 PolarHBondContact O-N 3.44Å; S155-S157 VanDerWaalsContact C-N 3.32Å; S155-S157 PolarHBondContact OG-O 2.84Å
156	H	98.4	Very high	96.8	Very high	47 Å²	47	80.5 Å²	80.5	22%	0.218	42%	0.415	C	S	.	.	S	Bend	trans	-68.6	-34.1	176.4	-170.3	74.5	0	0	0	112.2	F154 W577 Y609 G612	F154-H156 HydrophobicContact CE1-CB 4.48Å; H156-W577 AromaticContact CD2-CH2 3.82Å; H156-W577 AromaticContact CD2-CZ2 3.7Å; H156-W577 AromaticContact NE2-CH2 3.92Å; H156-W577 AromaticContact NE2-CZ2 3.78Å; H156-Y609 PolarHBondContact CD2-O 2.91Å; H156-G612 PolarHBondContact CD2-N 2.87Å
157	S	97.8	Very high	97	Very high	6 Å²	6	81 Å²	81	4%	0.042	43%	0.428	C	S	.	.			trans	-132.1	162.1	-179	68.9	0	0	0	0	112	S155 L610	S155-S157 VanDerWaalsContact C-N 3.32Å; S155-S157 PolarHBondContact OG-O 2.84Å; S157-L610 VanDerWaalsContact OG-CD2 3.31Å; S157-L610 WeakPolarHBondContact OG-CD2 3.33Å; S157-L610 PolarHBondContact OG-O 2.99Å
158	Y	93.5	Very high	97.1	Very high	90 Å²	90	73.9 Å²	73.9	35%	0.353	39%	0.389	S	S	.	.	S	Bend	trans	-98.6	171.1	160.6	67.9	-89.6	0	0	0	109.9	Y140 R576 W577 D578	Y140-Y158 AromaticContact CE1-CD1 3.84Å; Y140-Y158 HydrophobicContact CE1-CD1 3.84Å; Y140-Y158 HydrophobicContact CE1-CE1 4.5Å; Y140-Y158 AromaticContact CE2-CD1 3.84Å; Y140-Y158 HydrophobicContact CE2-CD1 3.84Å; Y140-Y158 AromaticContact CZ-CD1 3.42Å; Y140-Y158 VanDerWaalsContact CZ-CD1 3.42Å; Y140-Y158 AromaticContact CZ-CE1 3.96Å; Y140-Y158 WeakPolarHBondContact OH-CD1 3.22Å; Y140-Y158 WeakPolarHBondContact OH-CE1 3.17Å; Y158-R576 WeakPolarHBondContact OH-CB 3.31Å; Y158-W577 HydrophobicContact CD1-CB 3.9Å; Y158-W577 AromaticContact CD1-CD1 3.65Å; Y158-W577 HydrophobicContact CD1-CG 4.15Å; Y158-W577 HydrophobicContact CD2-CB 4.31Å; Y158-W577 HydrophobicContact CE1-CB 3.75Å; Y158-W577 AromaticContact CE1-CD1 3.6Å; Y158-W577 HydrophobicContact CE1-CG 4.07Å; Y158-W577 HydrophobicContact CE2-CB 4.14Å; Y158-W577 HydrophobicContact CG-CB 4.18Å; Y158-W577 WeakPolarHBondContact O-CB 3.08Å; Y158-D578 HydrophobicContact CE2-CB 4Å; Y158-D578 WeakPolarHBondContact CE2-OD1 3.1Å; Y158-D578 PolarHBondContact OH-OD1 3.43Å
159	S	94.4	Very high	97.3	Very high	46 Å²	46	74.2 Å²	74.2	32%	0.322	37%	0.369	S	S	.	.	S	Bend	trans	72.8	160.9	-171.4	-160.8	0	0	0	0	114.8	T581	S159-T581 WeakPolarHBondContact CB-OG1 3.33Å; S159-T581 PolarHBondContact OG-OG1 3.42Å
160	K	95.6	Very high	97.4	Very high	168 Å²	168	71 Å²	71	73%	0.73	36%	0.358	S	S	*	.			trans	-135.1	146.6	-177.5	-61.7	-65.5	178.8	-172.1	0	109.8
161	V	97.1	Very high	97.5	Very high	38 Å²	38	70.3 Å²	70.3	23%	0.23	36%	0.355	C	S	.	.			trans	-76.3	139.3	173.7	-177.6	0	0	0	0	109	T581 I584 N585 K607 L610	V161-T581 HydrophobicContact CG2-CG2 4.36Å; V161-I584 HydrophobicContact CB-CG2 4.42Å; V161-I584 HydrophobicContact CG1-CG2 3.62Å; V161-I584 HydrophobicContact CG2-CB 4.29Å; V161-I584 HydrophobicContact CG2-CD1 3.96Å; V161-I584 HydrophobicContact CG2-CG2 3.83Å; V161-N585 WeakPolarHBondContact CG1-OD1 3.48Å; V161-K607 HydrophobicContact CG2-CG 4.26Å; V161-L610 HydrophobicContact CG2-CD1 3.47Å; V161-L610 VanDerWaalsContact CG2-CD1 3.47Å
162	Y	96.8	Very high	97.5	Very high	38 Å²	38	66 Å²	66	15%	0.149	34%	0.34	C	S	.	.			trans	-69.1	131	178.2	175.2	-115.4	0	0	0	111.3	Q164 R165 M175 E178 N585 Q588	Y162-Q164 HydrophobicContact CD1-CB 4.22Å; Y162-Q164 HydrophobicContact CE1-CB 4.14Å; Y162-Q164 PolarHBondContact O-N 3.29Å; Y162-Q164 VanDerWaalsContact O-N 3.09Å; Y162-R165 PolarHBondContact OH-NH1 2.88Å; Y162-R165 PolarHBondContact OH-NH2 2.83Å; Y162-M175 WeakPolarHBondContact CE1-O 3.31Å; Y162-E178 HydrophobicContact CE2-CG 4.21Å; Y162-E178 WeakPolarHBondContact CE2-OE1 3.36Å; Y162-E178 PolarHBondContact OH-OE1 3.09Å; Y162-E178 PolarHBondContact OH-OE2 3.45Å; Y162-N585 WeakPolarHBondContact CB-OD1 3.08Å; Y162-N585 PolarHBondContact N-OD1 2.77Å; Y162-Q588 PolarHBondContact O-NE2 3.37Å; Y162-Q588 VanDerWaalsContact O-NE2 3.11Å
163	A	96.7	Very high	97.5	Very high	79 Å²	79	63.1 Å²	63.1	65%	0.653	33%	0.33	S	S	*	.			trans	-79.9	87.6	173.9	0	0	0	0	0	109.3	R165	A163-R165 PolarHBondContact O-N 3.19Å
164	Q	96.3	Very high	97.5	Very high	52 Å²	52	60 Å²	60	24%	0.243	32%	0.315	C	S	.	.			trans	-64.5	126.3	177.9	-178.2	174.7	8.9	0	0	110.4	Y162 A166 Q588 T592	Y162-Q164 HydrophobicContact CD1-CB 4.22Å; Y162-Q164 HydrophobicContact CE1-CB 4.14Å; Y162-Q164 PolarHBondContact O-N 3.29Å; Y162-Q164 VanDerWaalsContact O-N 3.09Å; Q164-A166 WeakPolarHBondContact CG-O 3.45Å; Q164-A166 PolarHBondContact NE2-O 2.64Å; Q164-Q588 PolarHBondContact OE1-O 2.94Å; Q164-T592 PolarHBondContact NE2-OG1 3.03Å
165	R	97.4	Very high	97.5	Very high	153 Å²	153	54.8 Å²	54.8	58%	0.577	29%	0.293	S	S	*	.			trans	-91.8	-25	-175.5	-63.9	-177.6	-66.6	-82.4	-0.7	113.9	Y162 A163 E178	Y162-R165 PolarHBondContact OH-NH1 2.88Å; Y162-R165 PolarHBondContact OH-NH2 2.83Å; A163-R165 PolarHBondContact O-N 3.19Å; R165-E178 IonicContact CZ-OE1 3.65Å; R165-E178 IonicContact CZ-OE2 3.11Å; R165-E178 IonicContact NH1-OE1 2.73Å; R165-E178 PolarHBondContact NH1-OE1 3.39Å; R165-E178 IonicContact NH1-OE2 2.98Å; R165-E178 IonicContact NH2-OE1 3.22Å; R165-E178 PolarHBondContact NH2-OE1 2.79Å; R165-E178 IonicContact NH2-OE2 2.65Å; R165-E178 PolarHBondContact NH2-OE2 2.76Å
166	A	97.7	Very high	97.5	Very high	58 Å²	58	53.3 Å²	53.3	48%	0.479	28%	0.282	S	S	.	.	S	Bend	trans	-150.5	160.2	-176	0	0	0	0	0	111.1	Q164	Q164-A166 WeakPolarHBondContact CG-O 3.45Å; Q164-A166 PolarHBondContact NE2-O 2.64Å
167	P	98.4	Very high	97.5	Very high	90 Å²	90	51 Å²	51	58%	0.584	27%	0.272	S	S	*	.			trans	-52.8	147.5	166.9	-24.9	35.4	0	0	0	111.7
168	Y	98.8	Very high	97.5	Very high	15 Å²	15	52.7 Å²	52.7	6%	0.059	28%	0.279	C	S	.	.			trans	-74.9	136.3	-178	178.1	-102.6	0	0	0	112.2	R457 I518 Y521 D522 L589 T592 I593	Y168-R457 PolarHBondContact OH-NH2 2.67Å; Y168-I518 HydrophobicContact CE1-CG2 4.06Å; Y168-Y521 HydrophobicContact CD1-CD1 4.09Å; Y168-Y521 AromaticContact CD1-CE1 3.88Å; Y168-Y521 HydrophobicContact CD1-CE1 3.88Å; Y168-Y521 AromaticContact CE1-CD1 3.82Å; Y168-Y521 HydrophobicContact CE1-CD1 3.82Å; Y168-Y521 AromaticContact CE1-CE1 3.97Å; Y168-Y521 HydrophobicContact CE1-CE1 3.97Å; Y168-D522 WeakPolarHBondContact CE1-OD1 3.24Å; Y168-D522 VanDerWaalsContact CZ-OD1 3.26Å; Y168-D522 PolarHBondContact OH-OD1 2.93Å; Y168-D522 PolarHBondContact OH-OD2 2.77Å; Y168-L589 HydrophobicContact CD1-CD1 4.42Å; Y168-L589 HydrophobicContact CD1-CD2 3.82Å; Y168-L589 HydrophobicContact CD1-CG 4.2Å; Y168-L589 HydrophobicContact CD2-CD1 3.59Å; Y168-L589 HydrophobicContact CD2-CD2 4.41Å; Y168-L589 HydrophobicContact CD2-CG 3.93Å; Y168-L589 HydrophobicContact CE1-CD2 4.38Å; Y168-L589 HydrophobicContact CE2-CD1 3.91Å; Y168-L589 HydrophobicContact CG-CD1 3.87Å; Y168-L589 HydrophobicContact CG-CD2 3.84Å; Y168-L589 HydrophobicContact CG-CG 3.69Å; Y168-T592 PolarHBondContact N-OG1 2.95Å; Y168-T592 VanDerWaalsContact N-OG1 3.1Å; Y168-I593 HydrophobicContact CD1-CD1 4.43Å; Y168-I593 HydrophobicContact CD1-CG2 4.26Å
169	H	98.6	Very high	97.7	Very high	85 Å²	85	51.6 Å²	51.6	39%	0.394	30%	0.295	S	S	.	.			trans	-141.1	151.6	172.6	60.5	96.1	0	0	0	110.6	D171 G172	H169-D171 IonicContact CE1-OD1 3.03Å; H169-D171 IonicContact CG-OD1 2.88Å; H169-D171 IonicContact ND1-OD1 2.96Å; H169-D171 PolarHBondContact ND1-OD1 2.88Å; H169-D171 IonicContact ND1-OD2 3.44Å; H169-D171 PolarHBondContact O-N 3.06Å; H169-G172 WeakPolarHBondContact CE1-CA 3.38Å; H169-G172 PolarHBondContact CE1-N 3.25Å; H169-G172 VanDerWaalsContact CE1-N 3.32Å; H169-G172 PolarHBondContact ND1-N 3.11Å; H169-G172 PolarHBondContact O-N 2.86Å
170	P	98.8	Very high	97.8	Very high	14 Å²	14	51.7 Å²	51.7	9%	0.091	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.8	-168.1	-25.4	36.4	0	0	0	116.2	G172 V456 R457 L460 Y521 D522 E525	P170-G172 VanDerWaalsContact C-N 3.33Å; P170-V456 HydrophobicContact CB-CG1 4.04Å; P170-R457 WeakPolarHBondContact O-CG 3.44Å; P170-R457 PolarHBondContact O-NE 2.98Å; P170-R457 PolarHBondContact O-NH1 2.93Å; P170-R457 PolarHBondContact O-NH2 3.34Å; P170-L460 HydrophobicContact CB-CD1 4.16Å; P170-Y521 HydrophobicContact CG-CE1 4.41Å; P170-D522 HydrophobicContact CB-CB 4.18Å; P170-E525 HydrophobicContact CG-CB 4.02Å
171	D	98.6	Very high	97.9	Very high	84 Å²	84	47 Å²	47	45%	0.449	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	2.4	173.6	59.5	-39.2	0	0	0	113.4	H169 Y222 L460	H169-D171 IonicContact CE1-OD1 3.03Å; H169-D171 IonicContact CG-OD1 2.88Å; H169-D171 IonicContact ND1-OD1 2.96Å; H169-D171 PolarHBondContact ND1-OD1 2.88Å; H169-D171 IonicContact ND1-OD2 3.44Å; H169-D171 PolarHBondContact O-N 3.06Å; D171-Y222 PolarHBondContact O-OH 2.95Å; D171-L460 HydrophobicContact CB-CD1 3.98Å
172	G	98.7	Very high	98	Very high	5 Å²	5	45.2 Å²	45.2	5%	0.052	26%	0.261	C	S	.	.	S	Bend	trans	-88.3	-177.9	175.8	0	0	0	0	0	113.6	H169 P170 F174 Y222 R457	H169-G172 WeakPolarHBondContact CE1-CA 3.38Å; H169-G172 PolarHBondContact CE1-N 3.25Å; H169-G172 VanDerWaalsContact CE1-N 3.32Å; H169-G172 PolarHBondContact ND1-N 3.11Å; H169-G172 PolarHBondContact O-N 2.86Å; P170-G172 VanDerWaalsContact C-N 3.33Å; G172-F174 PolarHBondContact O-N 3.35Å; G172-Y222 WeakPolarHBondContact O-CE1 3.23Å; G172-R457 PolarHBondContact O-NE 3.47Å; G172-R457 PolarHBondContact O-NH2 2.85Å; G172-R457 VanDerWaalsContact O-NH2 3.12Å
173	V	98.7	Very high	98.1	Very high	35 Å²	35	44.1 Å²	44.1	21%	0.212	26%	0.257	C	S	.	.			trans	-54.2	137.9	171.3	-63.1	0	0	0	0	110.8	M175 L226 T227	V173-M175 PolarHBondContact O-N 2.9Å; V173-M175 VanDerWaalsContact O-N 3.14Å; V173-L226 HydrophobicContact CG1-CB 4.1Å; V173-L226 HydrophobicContact CG1-CD1 4.08Å; V173-T227 HydrophobicContact CG1-CG2 3.76Å
174	F	98.8	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.25	C	C	.	.			trans	-84	94.5	179.1	-170.7	-97.4	0	0	0	110.2	G172 S176 F177 L219 S223 S453 Y515 I518	G172-F174 PolarHBondContact O-N 3.35Å; F174-S176 PolarHBondContact O-N 3.03Å; F174-S176 VanDerWaalsContact O-N 3.09Å; F174-F177 HydrophobicContact CB-CB 4.49Å; F174-F177 AromaticContact CD1-CD1 3.93Å; F174-F177 HydrophobicContact CD1-CD1 3.93Å; F174-F177 AromaticContact CD1-CD2 3.54Å; F174-F177 HydrophobicContact CD1-CD2 3.54Å; F174-F177 AromaticContact CD1-CE1 3.91Å; F174-F177 HydrophobicContact CD1-CE1 3.91Å; F174-F177 AromaticContact CD1-CE2 3.47Å; F174-F177 HydrophobicContact CD1-CE2 3.47Å; F174-F177 VanDerWaalsContact CD1-CE2 3.47Å; F174-F177 AromaticContact CD1-CG 3.76Å; F174-F177 HydrophobicContact CD1-CG 3.76Å; F174-F177 AromaticContact CD1-CZ 3.68Å; F174-F177 HydrophobicContact CD1-CZ 3.68Å; F174-F177 HydrophobicContact CE1-CD1 4.49Å; F174-F177 HydrophobicContact CE1-CD2 4.22Å; F174-F177 HydrophobicContact CE1-CE1 4Å; F174-F177 AromaticContact CE1-CE2 3.65Å; F174-F177 HydrophobicContact CE1-CE2 3.65Å; F174-F177 AromaticContact CE1-CZ 3.55Å; F174-F177 HydrophobicContact CE1-CZ 3.55Å; F174-F177 HydrophobicContact CG-CD2 4.47Å; F174-F177 VanDerWaalsContact O-CB 3.24Å; F174-F177 WeakPolarHBondContact O-CB 3.44Å; F174-F177 WeakPolarHBondContact O-CD1 3.27Å; F174-F177 WeakPolarHBondContact O-CG 3.42Å; F174-F177 PolarHBondContact O-N 3.5Å; F174-L219 HydrophobicContact CB-CB 4.13Å; F174-L219 HydrophobicContact CB-CD2 4.02Å; F174-L219 HydrophobicContact CB-CG 4.49Å; F174-L219 HydrophobicContact CD1-CB 4.3Å; F174-L219 HydrophobicContact CD1-CD1 3.83Å; F174-L219 HydrophobicContact CD1-CG 4.48Å; F174-L219 HydrophobicContact CD2-CD1 4.18Å; F174-L219 HydrophobicContact CD2-CD2 4.03Å; F174-L219 HydrophobicContact CE1-CD1 3.89Å; F174-L219 HydrophobicContact CE2-CD1 4.25Å; F174-L219 HydrophobicContact CG-CB 4.26Å; F174-L219 HydrophobicContact CG-CD1 3.95Å; F174-L219 HydrophobicContact CG-CD2 3.97Å; F174-L219 HydrophobicContact CG-CG 4.28Å; F174-L219 HydrophobicContact CZ-CD1 4.1Å; F174-S223 PolarHBondContact N-OG 3.31Å; F174-S453 VanDerWaalsContact CE2-OG 3.3Å; F174-S453 WeakPolarHBondContact CE2-OG 3.28Å; F174-Y515 HydrophobicContact CE1-CD1 4.03Å; F174-Y515 AromaticContact CE1-CE1 3.87Å; F174-Y515 HydrophobicContact CE1-CE1 3.87Å; F174-Y515 HydrophobicContact CZ-CD1 4.02Å; F174-Y515 HydrophobicContact CZ-CE1 4.3Å; F174-I518 HydrophobicContact CE2-CG2 3.62Å; F174-I518 HydrophobicContact CZ-CG2 4.07Å
175	M	98.3	Very high	98.2	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.039	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-115	180	-166	-168	81	0	0	111.1	Y162 V173 F177 Y515 N585 Q586 L589	Y162-M175 WeakPolarHBondContact CE1-O 3.31Å; V173-M175 PolarHBondContact O-N 2.9Å; V173-M175 VanDerWaalsContact O-N 3.14Å; M175-F177 HydrophobicContact CE-CD1 4.18Å; M175-F177 HydrophobicContact CE-CE1 3.88Å; M175-Y515 HydrophobicContact CE-CE1 4.45Å; M175-Y515 WeakPolarHBondContact CE-OH 3.46Å; M175-Y515 HydrophobicContact SD-CE1 4.15Å; M175-N585 HydrophobicContact CE-CB 3.98Å; M175-N585 HydrophobicContact CG-CB 4.13Å; M175-N585 HydrophobicContact SD-CB 3.81Å; M175-Q586 HydrophobicContact SD-CG 3.75Å; M175-L589 HydrophobicContact CB-CD1 3.72Å; M175-L589 HydrophobicContact CG-CD1 3.96Å
176	S	98	Very high	98.3	Very high	8 Å²	8	40.6 Å²	40.6	6%	0.056	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	16.9	-179	70.2	0	0	0	0	113.3	F174 E178 G179 Y180	F174-S176 PolarHBondContact O-N 3.03Å; F174-S176 VanDerWaalsContact O-N 3.09Å; S176-E178 PolarHBondContact O-N 2.94Å; S176-G179 PolarHBondContact O-N 2.81Å; S176-Y180 WeakPolarHBondContact O-CD1 3.27Å; S176-Y180 WeakPolarHBondContact OG-CE1 3.46Å
177	F	98.4	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-75	-9.5	-168	-77.7	28.1	0	0	0	113.7	F174 M175 G179 Y180 Q216 L219 S220 Y515	F174-F177 HydrophobicContact CB-CB 4.49Å; F174-F177 AromaticContact CD1-CD1 3.93Å; F174-F177 HydrophobicContact CD1-CD1 3.93Å; F174-F177 AromaticContact CD1-CD2 3.54Å; F174-F177 HydrophobicContact CD1-CD2 3.54Å; F174-F177 AromaticContact CD1-CE1 3.91Å; F174-F177 HydrophobicContact CD1-CE1 3.91Å; F174-F177 AromaticContact CD1-CE2 3.47Å; F174-F177 HydrophobicContact CD1-CE2 3.47Å; F174-F177 VanDerWaalsContact CD1-CE2 3.47Å; F174-F177 AromaticContact CD1-CG 3.76Å; F174-F177 HydrophobicContact CD1-CG 3.76Å; F174-F177 AromaticContact CD1-CZ 3.68Å; F174-F177 HydrophobicContact CD1-CZ 3.68Å; F174-F177 HydrophobicContact CE1-CD1 4.49Å; F174-F177 HydrophobicContact CE1-CD2 4.22Å; F174-F177 HydrophobicContact CE1-CE1 4Å; F174-F177 AromaticContact CE1-CE2 3.65Å; F174-F177 HydrophobicContact CE1-CE2 3.65Å; F174-F177 AromaticContact CE1-CZ 3.55Å; F174-F177 HydrophobicContact CE1-CZ 3.55Å; F174-F177 HydrophobicContact CG-CD2 4.47Å; F174-F177 VanDerWaalsContact O-CB 3.24Å; F174-F177 WeakPolarHBondContact O-CB 3.44Å; F174-F177 WeakPolarHBondContact O-CD1 3.27Å; F174-F177 WeakPolarHBondContact O-CG 3.42Å; F174-F177 PolarHBondContact O-N 3.5Å; M175-F177 HydrophobicContact CE-CD1 4.18Å; M175-F177 HydrophobicContact CE-CE1 3.88Å; F177-G179 PolarHBondContact O-N 3.25Å; F177-Y180 HydrophobicContact CD1-CD1 4.47Å; F177-Y180 AromaticContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CE1 4.43Å; F177-Y180 AromaticContact CD1-CE2 3.81Å; F177-Y180 HydrophobicContact CD1-CE2 3.81Å; F177-Y180 HydrophobicContact CD1-CG 4.22Å; F177-Y180 HydrophobicContact CE1-CD2 4Å; F177-Y180 AromaticContact CE1-CE2 3.59Å; F177-Y180 HydrophobicContact CE1-CE2 3.59Å; F177-Y180 HydrophobicContact CG-CD2 4.14Å; F177-Y180 HydrophobicContact CG-CG 4.37Å; F177-Y180 HydrophobicContact CZ-CD2 4.44Å; F177-Y180 HydrophobicContact CZ-CE2 4.18Å; F177-Y180 WeakPolarHBondContact O-CB 3.03Å; F177-Y180 PolarHBondContact O-N 2.82Å; F177-Y180 VanDerWaalsContact O-N 3.09Å; F177-Q216 HydrophobicContact CE2-CB 4.22Å; F177-Q216 HydrophobicContact CE2-CG 3.74Å; F177-Q216 HydrophobicContact CZ-CG 4.14Å; F177-L219 HydrophobicContact CD2-CB 3.68Å; F177-L219 HydrophobicContact CE2-CB 4.12Å; F177-L219 HydrophobicContact CE2-CD1 4.2Å; F177-S220 WeakPolarHBondContact O-CA 3.46Å; F177-S220 WeakPolarHBondContact O-CB 3.46Å; F177-Y515 HydrophobicContact CE1-CE1 4.19Å; F177-Y515 HydrophobicContact CZ-CE1 4.09Å
178	E	98	Very high	98.3	Very high	40 Å²	40	36.9 Å²	36.9	19%	0.187	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56.4	-35.9	167	64.7	-170.2	-133.6	0	0	112	Y162 R165 S176 Y180 K224 T227	Y162-E178 HydrophobicContact CE2-CG 4.21Å; Y162-E178 WeakPolarHBondContact CE2-OE1 3.36Å; Y162-E178 PolarHBondContact OH-OE1 3.09Å; Y162-E178 PolarHBondContact OH-OE2 3.45Å; R165-E178 IonicContact CZ-OE1 3.65Å; R165-E178 IonicContact CZ-OE2 3.11Å; R165-E178 IonicContact NH1-OE1 2.73Å; R165-E178 PolarHBondContact NH1-OE1 3.39Å; R165-E178 IonicContact NH1-OE2 2.98Å; R165-E178 IonicContact NH2-OE1 3.22Å; R165-E178 PolarHBondContact NH2-OE1 2.79Å; R165-E178 IonicContact NH2-OE2 2.65Å; R165-E178 PolarHBondContact NH2-OE2 2.76Å; S176-E178 PolarHBondContact O-N 2.94Å; E178-Y180 VanDerWaalsContact C-N 3.35Å; E178-K224 WeakPolarHBondContact O-CG 3.4Å; E178-T227 HydrophobicContact CB-CG2 4.38Å; E178-T227 WeakPolarHBondContact OE2-CG2 3.26Å
179	G	97.3	Very high	98.3	Very high	67 Å²	67	37.3 Å²	37.3	69%	0.691	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-86.7	-0.9	177.4	0	0	0	0	0	114.4	S176 F177	S176-G179 PolarHBondContact O-N 2.81Å; F177-G179 PolarHBondContact O-N 3.25Å
180	Y	97.6	Very high	98.3	Very high	49 Å²	49	33.2 Å²	33.2	19%	0.192	19%	0.185	C	C	.	.			trans	-88.1	125	-176.3	-82.4	31.8	0	0	0	109.9	S176 F177 E178 R185 K224	S176-Y180 WeakPolarHBondContact O-CD1 3.27Å; S176-Y180 WeakPolarHBondContact OG-CE1 3.46Å; F177-Y180 HydrophobicContact CD1-CD1 4.47Å; F177-Y180 AromaticContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CE1 4.43Å; F177-Y180 AromaticContact CD1-CE2 3.81Å; F177-Y180 HydrophobicContact CD1-CE2 3.81Å; F177-Y180 HydrophobicContact CD1-CG 4.22Å; F177-Y180 HydrophobicContact CE1-CD2 4Å; F177-Y180 AromaticContact CE1-CE2 3.59Å; F177-Y180 HydrophobicContact CE1-CE2 3.59Å; F177-Y180 HydrophobicContact CG-CD2 4.14Å; F177-Y180 HydrophobicContact CG-CG 4.37Å; F177-Y180 HydrophobicContact CZ-CD2 4.44Å; F177-Y180 HydrophobicContact CZ-CE2 4.18Å; F177-Y180 WeakPolarHBondContact O-CB 3.03Å; F177-Y180 PolarHBondContact O-N 2.82Å; F177-Y180 VanDerWaalsContact O-N 3.09Å; E178-Y180 VanDerWaalsContact C-N 3.35Å; Y180-R185 VanDerWaalsContact CD2-NH2 3.29Å; Y180-K224 VanDerWaalsContact O-CE 3.28Å; Y180-K224 WeakPolarHBondContact O-CE 3.07Å; Y180-K224 PolarHBondContact O-NZ 3.02Å
181	N	97.8	Very high	98.3	Very high	70 Å²	70	33.1 Å²	33.1	37%	0.374	18%	0.184	S	C	.	.			trans	-106.3	107.2	166.3	-168.4	-36.5	0	0	0	108.2	E183 V184	N181-E183 VanDerWaalsContact OD1-CG 3.3Å; N181-E183 WeakPolarHBondContact OD1-CG 3.34Å; N181-E183 PolarHBondContact OD1-OE1 2.8Å; N181-E183 VanDerWaalsContact OD1-OE1 3.13Å; N181-E183 PolarHBondContact OD1-OE2 2.88Å; N181-V184 HydrophobicContact CB-CG2 3.69Å; N181-V184 VanDerWaalsContact CG-CG2 3.48Å; N181-V184 WeakPolarHBondContact ND2-CG1 3.38Å; N181-V184 WeakPolarHBondContact O-CG2 3.23Å; N181-V184 VanDerWaalsContact OD1-CG1 3.23Å; N181-V184 WeakPolarHBondContact OD1-CG1 3.49Å; N181-V184 VanDerWaalsContact OD1-CG2 3.31Å; N181-V184 WeakPolarHBondContact OD1-CG2 3.32Å; N181-V184 PolarHBondContact OD1-N 3.48Å
182	V	98.6	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.			trans	-84.4	-46.5	-169.7	175.6	0	0	0	0	109.7	V184 R185 V188 Q213 Q216	V182-V184 VanDerWaalsContact C-N 3.3Å; V182-V184 PolarHBondContact O-N 2.94Å; V182-R185 VanDerWaalsContact O-CB 3.24Å; V182-R185 WeakPolarHBondContact O-CB 3.39Å; V182-R185 VanDerWaalsContact O-CD 3.27Å; V182-R185 WeakPolarHBondContact O-CD 3.36Å; V182-R185 VanDerWaalsContact O-CG 3.22Å; V182-R185 WeakPolarHBondContact O-CG 3.12Å; V182-R185 PolarHBondContact O-N 3.29Å; V182-R185 VanDerWaalsContact O-N 3.11Å; V182-V188 HydrophobicContact CG1-CG2 4.49Å; V182-V188 VanDerWaalsContact O-CG2 3.29Å; V182-V188 WeakPolarHBondContact O-CG2 3.46Å; V182-Q213 HydrophobicContact CG1-CG 4.02Å; V182-Q216 HydrophobicContact CG2-CB 3.98Å
183	E	98.3	Very high	98.3	Very high	14 Å²	14	29.4 Å²	29.4	7%	0.065	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.6	-176.7	57.1	-81.2	-168.7	0	0	113	N181 R185 I191 Y217 H221 T357 K361	N181-E183 VanDerWaalsContact OD1-CG 3.3Å; N181-E183 WeakPolarHBondContact OD1-CG 3.34Å; N181-E183 PolarHBondContact OD1-OE1 2.8Å; N181-E183 VanDerWaalsContact OD1-OE1 3.13Å; N181-E183 PolarHBondContact OD1-OE2 2.88Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.82Å; E183-I191 HydrophobicContact CB-CD1 4.14Å; E183-Y217 HydrophobicContact CB-CE2 4.45Å; E183-H221 IonicContact OE1-NE2 2.78Å; E183-H221 IonicContact OE2-NE2 3.2Å; E183-T357 HydrophobicContact CB-CG2 4.16Å; E183-K361 WeakPolarHBondContact O-CE 3.25Å; E183-K361 PolarHBondContact O-NZ 3.23Å
184	V	97.8	Very high	98.3	Very high	82 Å²	82	30.4 Å²	30.4	50%	0.497	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.4	176.6	-63.9	0	0	0	0	114.2	N181 V182 D186	N181-V184 HydrophobicContact CB-CG2 3.69Å; N181-V184 VanDerWaalsContact CG-CG2 3.48Å; N181-V184 WeakPolarHBondContact ND2-CG1 3.38Å; N181-V184 WeakPolarHBondContact O-CG2 3.23Å; N181-V184 VanDerWaalsContact OD1-CG1 3.23Å; N181-V184 WeakPolarHBondContact OD1-CG1 3.49Å; N181-V184 VanDerWaalsContact OD1-CG2 3.31Å; N181-V184 WeakPolarHBondContact OD1-CG2 3.32Å; N181-V184 PolarHBondContact OD1-N 3.48Å; V182-V184 VanDerWaalsContact C-N 3.3Å; V182-V184 PolarHBondContact O-N 2.94Å; V184-D186 PolarHBondContact O-N 2.89Å
185	R	98.3	Very high	98.3	Very high	45 Å²	45	32.7 Å²	32.7	17%	0.17	18%	0.181	C	C	.	.	S	Bend	trans	-59.3	138.3	-177.9	-62.9	163.6	175.4	-176.6	-2	110	Y180 V182 E183 R187 V188 K361	Y180-R185 VanDerWaalsContact CD2-NH2 3.29Å; V182-R185 VanDerWaalsContact O-CB 3.24Å; V182-R185 WeakPolarHBondContact O-CB 3.39Å; V182-R185 VanDerWaalsContact O-CD 3.27Å; V182-R185 WeakPolarHBondContact O-CD 3.36Å; V182-R185 VanDerWaalsContact O-CG 3.22Å; V182-R185 WeakPolarHBondContact O-CG 3.12Å; V182-R185 PolarHBondContact O-N 3.29Å; V182-R185 VanDerWaalsContact O-N 3.11Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.82Å; R185-R187 HydrophobicContact CB-CG 4.2Å; R185-R187 PolarHBondContact O-N 2.93Å; R185-V188 HydrophobicContact CB-CG2 4.28Å; R185-V188 WeakPolarHBondContact O-CB 3.5Å; R185-V188 PolarHBondContact O-N 3.41Å; R185-K361 PolarHBondContact O-NZ 2.95Å
186	D	97.9	Very high	98.3	Very high	84 Å²	84	33.3 Å²	33.3	45%	0.449	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.1	-177.7	63.6	-16.5	0	0	0	113.8	V184 V188 A370 V371	V184-D186 PolarHBondContact O-N 2.89Å; D186-V188 VanDerWaalsContact C-N 3.28Å; D186-V188 PolarHBondContact O-N 3.02Å; D186-A370 HydrophobicContact CB-CB 4.24Å; D186-V371 WeakPolarHBondContact O-CG2 3.44Å; D186-V371 PolarHBondContact O-N 3.4Å
187	R	98.1	Very high	98.3	Very high	70 Å²	70	32.9 Å²	32.9	26%	0.264	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.2	175.6	63.1	-179.3	176.5	-80.8	8.3	114.2	R185 K189 S200 T201 Q202	R185-R187 HydrophobicContact CB-CG 4.2Å; R185-R187 PolarHBondContact O-N 2.93Å; R187-K189 PolarHBondContact O-N 3.36Å; R187-S200 CarbonylContact O-C 3.48Å; R187-S200 WeakPolarHBondContact O-CA 3.26Å; R187-T201 PolarHBondContact O-N 2.97Å; R187-T201 PolarHBondContact O-OG1 3.42Å; R187-T201 VanDerWaalsContact O-OG1 3.14Å; R187-Q202 HydrophobicContact CB-CB 4.21Å
188	V	98.8	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.5	168.9	177.8	0	0	0	0	107.3	V182 R185 D186 I191 P198 Q213 K361 V371	V182-V188 HydrophobicContact CG1-CG2 4.49Å; V182-V188 VanDerWaalsContact O-CG2 3.29Å; V182-V188 WeakPolarHBondContact O-CG2 3.46Å; R185-V188 HydrophobicContact CB-CG2 4.28Å; R185-V188 WeakPolarHBondContact O-CB 3.5Å; R185-V188 PolarHBondContact O-N 3.41Å; D186-V188 VanDerWaalsContact C-N 3.28Å; D186-V188 PolarHBondContact O-N 3.02Å; V188-I191 HydrophobicContact CG1-CD1 4.39Å; V188-P198 HydrophobicContact CG1-CB 3.73Å; V188-P198 HydrophobicContact CG2-CB 4.29Å; V188-Q213 VanDerWaalsContact CG2-CD 3.5Å; V188-Q213 HydrophobicContact CG2-CG 4.16Å; V188-K361 WeakPolarHBondContact O-CE 3.5Å; V188-K361 PolarHBondContact O-NZ 3Å; V188-V371 VanDerWaalsContact O-CG2 3.31Å; V188-V371 WeakPolarHBondContact O-CG2 3.5Å
189	K	98.6	Very high	98.4	Very high	23 Å²	23	31.5 Å²	31.5	10%	0.1	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	-47.6	-179.6	-168	179.9	-179	81.4	0	110.8	R187 L199 T201 L330 S366	R187-K189 PolarHBondContact O-N 3.36Å; K189-L199 WeakPolarHBondContact CB-O 3.21Å; K189-L199 HydrophobicContact CD-CD2 4.36Å; K189-L199 PolarHBondContact N-O 2.65Å; K189-T201 HydrophobicContact CB-CG2 3.83Å; K189-T201 HydrophobicContact CD-CG2 3.88Å; K189-T201 HydrophobicContact CG-CG2 4.14Å; K189-L330 HydrophobicContact CD-CD2 3.95Å; K189-S366 PolarHBondContact NZ-O 2.73Å; K189-S366 VanDerWaalsContact NZ-O 3.11Å
190	C	98.8	Very high	98.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	173.3	174.5	61.4	0	0	0	0	110.4	P198 L199 I331 Y340 K361	C190-P198 WeakPolarHBondContact O-CA 3.33Å; C190-L199 PolarHBondContact O-N 3.4Å; C190-I331 HydrophobicContact CB-CD1 4Å; C190-Y340 HydrophobicContact CB-CE1 3.83Å; C190-K361 HydrophobicContact CB-CB 4.18Å
191	I	98.9	Very high	98.5	Very high	11 Å²	11	26.1 Å²	26.1	6%	0.056	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.9	163.7	-53.3	-53.7	0	0	0	107.7	E183 V188 G193 G196 P198 Y217 R353 T357	E183-I191 HydrophobicContact CB-CD1 4.14Å; V188-I191 HydrophobicContact CG1-CD1 4.39Å; I191-G193 PolarHBondContact O-N 2.98Å; I191-G196 WeakPolarHBondContact CG2-O 3.39Å; I191-P198 HydrophobicContact CD1-CB 3.87Å; I191-Y217 HydrophobicContact CD1-CE2 4.14Å; I191-R353 PolarHBondContact O-NH2 2.88Å; I191-T357 HydrophobicContact CG1-CG2 3.97Å
192	S	98.8	Very high	98.5	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.049	13%	0.134	C	C	.	.			trans	-54.5	134	-179.2	175.8	0	0	0	0	110.8	V194 E195 G196 V197 R353	S192-V194 PolarHBondContact OG-N 3.03Å; S192-E195 PolarHBondContact OG-N 2.83Å; S192-E195 VanDerWaalsContact OG-N 3.15Å; S192-G196 WeakPolarHBondContact O-CA 3.38Å; S192-G196 PolarHBondContact O-N 2.76Å; S192-V197 WeakPolarHBondContact CB-O 3.33Å; S192-V197 PolarHBondContact N-O 3.37Å; S192-R353 PolarHBondContact O-NH1 2.71Å
193	G	98.5	Very high	98.4	Very high	4 Å²	4	28 Å²	28	4%	0.041	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-32.8	174.4	0	0	0	0	0	112.7	I191 G341 R345	I191-G193 PolarHBondContact O-N 2.98Å; G193-G341 CarbonylContact C-O 3.49Å; G193-G341 VanDerWaalsContact CA-O 3.28Å; G193-G341 WeakPolarHBondContact CA-O 3.19Å; G193-R345 PolarHBondContact O-NH2 2.73Å; G193-R345 VanDerWaalsContact O-NH2 3.11Å
194	V	98.6	Very high	98.2	Very high	56 Å²	56	27.5 Å²	27.5	34%	0.339	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-52.4	178.1	179.4	0	0	0	0	110.5	S192 G341 R345	S192-V194 PolarHBondContact OG-N 3.03Å; V194-G341 PolarHBondContact N-O 2.91Å; V194-R345 PolarHBondContact O-NH2 2.96Å; V194-R345 VanDerWaalsContact O-NH2 3.12Å
195	E	98.6	Very high	98	Very high	49 Å²	49	26.6 Å²	26.6	23%	0.229	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-17.7	-169.1	-59.9	-60.4	153.6	0	0	114.2	S192 V197 F209 R415	S192-E195 PolarHBondContact OG-N 2.83Å; S192-E195 VanDerWaalsContact OG-N 3.15Å; E195-V197 HydrophobicContact CB-CG2 3.76Å; E195-V197 PolarHBondContact O-N 2.95Å; E195-F209 HydrophobicContact CB-CE1 4.26Å; E195-F209 HydrophobicContact CB-CZ 4.21Å; E195-F209 HydrophobicContact CG-CE1 4.17Å; E195-F209 HydrophobicContact CG-CE2 4.27Å; E195-F209 HydrophobicContact CG-CZ 3.66Å; E195-R415 IonicContact OE2-CZ 3.9Å; E195-R415 IonicContact OE2-NE 3.59Å; E195-R415 IonicContact OE2-NH2 3.66Å; E195-R415 PolarHBondContact OE2-NH2 3.02Å
196	G	98.8	Very high	97.8	Very high	20 Å²	20	30 Å²	30	21%	0.206	16%	0.155	C	C	.	.	S	Bend	trans	70.1	11.9	-177.9	0	0	0	0	0	115.2	I191 S192	I191-G196 WeakPolarHBondContact CG2-O 3.39Å; S192-G196 WeakPolarHBondContact O-CA 3.38Å; S192-G196 PolarHBondContact O-N 2.76Å
197	V	98.9	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-123.7	158.7	-177.2	-59.8	0	0	0	0	111.8	S192 E195 F209 I214 A408 A409 W412	S192-V197 WeakPolarHBondContact CB-O 3.33Å; S192-V197 PolarHBondContact N-O 3.37Å; E195-V197 HydrophobicContact CB-CG2 3.76Å; E195-V197 PolarHBondContact O-N 2.95Å; V197-F209 HydrophobicContact CG2-CD1 3.97Å; V197-F209 HydrophobicContact CG2-CE1 3.85Å; V197-I214 HydrophobicContact CB-CD1 4.44Å; V197-I214 HydrophobicContact CB-CG1 4.12Å; V197-I214 HydrophobicContact CB-CG2 3.95Å; V197-I214 HydrophobicContact CG1-CG2 3.91Å; V197-I214 HydrophobicContact CG2-CD1 3.91Å; V197-I214 HydrophobicContact CG2-CG1 4.12Å; V197-I214 HydrophobicContact CG2-CG2 4.38Å; V197-A408 VanDerWaalsContact CG1-C 3.48Å; V197-A408 HydrophobicContact CG1-CB 4.14Å; V197-A408 VanDerWaalsContact CG1-O 3.28Å; V197-A408 WeakPolarHBondContact CG1-O 3.39Å; V197-A409 HydrophobicContact CG1-CB 4.43Å; V197-W412 HydrophobicContact CG1-CB 3.95Å; V197-W412 HydrophobicContact CG1-CG 4.37Å; V197-W412 HydrophobicContact CG2-CB 4.36Å; V197-W412 HydrophobicContact CG2-CD2 4.45Å; V197-W412 HydrophobicContact CG2-CG 3.9Å
198	P	98.9	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.9	-178.8	26.5	-37.1	0	0	0	113.5	V188 C190 I191 Q213 I214 Y217	V188-P198 HydrophobicContact CG1-CB 3.73Å; V188-P198 HydrophobicContact CG2-CB 4.29Å; C190-P198 WeakPolarHBondContact O-CA 3.33Å; I191-P198 HydrophobicContact CD1-CB 3.87Å; P198-Q213 HydrophobicContact CB-CG 4.18Å; P198-Q213 HydrophobicContact CG-CG 3.97Å; P198-I214 HydrophobicContact CG-CG1 4.1Å; P198-Y217 HydrophobicContact CG-CG 4.11Å
199	L	98.8	Very high	97.7	Very high	11 Å²	11	27.1 Å²	27.1	6%	0.058	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.6	167.7	-164.1	83.9	0	0	0	110.1	K189 C190 F209 L330	K189-L199 WeakPolarHBondContact CB-O 3.21Å; K189-L199 HydrophobicContact CD-CD2 4.36Å; K189-L199 PolarHBondContact N-O 2.65Å; C190-L199 PolarHBondContact O-N 3.4Å; L199-F209 HydrophobicContact CD1-CD1 3.61Å; L199-F209 HydrophobicContact CD1-CD2 3.94Å; L199-F209 HydrophobicContact CD1-CE1 3.61Å; L199-F209 HydrophobicContact CD1-CE2 3.94Å; L199-F209 HydrophobicContact CD1-CG 3.77Å; L199-F209 HydrophobicContact CD1-CZ 3.78Å; L199-L330 HydrophobicContact CD2-CD1 3.92Å; L199-L330 HydrophobicContact CD2-CD2 3.31Å; L199-L330 HydrophobicContact CD2-CG 4.25Å
200	S	98.6	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	150.5	-175.9	-171.9	0	0	0	0	112.3	R187 Q202 G207 Y208 Q213	R187-S200 CarbonylContact O-C 3.48Å; R187-S200 WeakPolarHBondContact O-CA 3.26Å; S200-Q202 PolarHBondContact OG-N 2.86Å; S200-G207 CarbonylContact O-C 3.52Å; S200-G207 VanDerWaalsContact O-CA 3.22Å; S200-G207 WeakPolarHBondContact O-CA 3.48Å; S200-Y208 PolarHBondContact N-O 3.15Å; S200-Y208 PolarHBondContact O-N 2.93Å; S200-Q213 PolarHBondContact OG-NE2 3.38Å
201	T	98.3	Very high	97.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	14%	0.142	C	C	.	.			trans	-125	13.2	170.5	46.3	0	0	0	0	112.9	R187 K189 W203 G204 K369	R187-T201 PolarHBondContact O-N 2.97Å; R187-T201 PolarHBondContact O-OG1 3.42Å; R187-T201 VanDerWaalsContact O-OG1 3.14Å; K189-T201 HydrophobicContact CB-CG2 3.83Å; K189-T201 HydrophobicContact CD-CG2 3.88Å; K189-T201 HydrophobicContact CG-CG2 4.14Å; T201-W203 VanDerWaalsContact C-N 3.3Å; T201-W203 PolarHBondContact O-N 3.15Å; T201-W203 VanDerWaalsContact O-N 3.12Å; T201-G204 CarbonylContact C-O 3.56Å; T201-G204 VanDerWaalsContact CA-O 3.26Å; T201-G204 WeakPolarHBondContact CA-O 3.32Å; T201-G204 PolarHBondContact O-N 3.48Å; T201-K369 WeakPolarHBondContact O-CB 3.13Å; T201-K369 WeakPolarHBondContact O-CG 3.43Å; T201-K369 PolarHBondContact OG1-O 2.94Å
202	Q	97.1	Very high	97.8	Very high	59 Å²	59	26.2 Å²	26.2	28%	0.276	14%	0.14	S	C	.	.	S	Bend	trans	-52.6	-41.3	-169	-172.8	174.6	-5.3	0	0	114.1	R187 S200	R187-Q202 HydrophobicContact CB-CB 4.21Å; S200-Q202 PolarHBondContact OG-N 2.86Å
203	W	96.6	Very high	97.8	Very high	52 Å²	52	26 Å²	26	20%	0.197	14%	0.138	C	C	.	.	S	Bend	trans	-118.5	3.9	179.2	-55.6	-46.8	0	0	0	114.4	T201 Y208 Y210 V427 W442 Y501	T201-W203 VanDerWaalsContact C-N 3.3Å; T201-W203 PolarHBondContact O-N 3.15Å; T201-W203 VanDerWaalsContact O-N 3.12Å; W203-Y208 PolarHBondContact N-OH 2.89Å; W203-Y208 VanDerWaalsContact N-OH 3.08Å; W203-Y210 HydrophobicContact CH2-CE2 4.26Å; W203-Y210 AromaticContact CH2-CZ 3.85Å; W203-Y210 WeakPolarHBondContact CH2-OH 3.46Å; W203-Y210 HydrophobicContact CZ3-CE2 4Å; W203-V427 HydrophobicContact CB-CG1 4.47Å; W203-V427 HydrophobicContact CB-CG2 4.41Å; W203-V427 HydrophobicContact CE3-CG1 3.92Å; W203-W442 HydrophobicContact CE3-CZ2 4.33Å; W203-W442 HydrophobicContact CH2-CH2 4.02Å; W203-W442 HydrophobicContact CH2-CZ2 4.35Å; W203-W442 AromaticContact CZ3-CH2 3.76Å; W203-W442 HydrophobicContact CZ3-CH2 3.76Å; W203-W442 AromaticContact CZ3-CZ2 3.67Å; W203-W442 HydrophobicContact CZ3-CZ2 3.67Å; W203-Y501 AromaticContact CH2-CE1 3.8Å; W203-Y501 HydrophobicContact CH2-CE1 3.8Å; W203-Y501 HydrophobicContact CZ2-CE1 4.05Å
204	G	94.1	Very high	97.8	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.021	14%	0.136	C	C	.	.			trans	-161.7	125.3	-176.6	0	0	0	0	0	111.9	T201 Q206 G207	T201-G204 CarbonylContact C-O 3.56Å; T201-G204 VanDerWaalsContact CA-O 3.26Å; T201-G204 WeakPolarHBondContact CA-O 3.32Å; T201-G204 PolarHBondContact O-N 3.48Å; G204-Q206 PolarHBondContact O-N 3.34Å; G204-G207 PolarHBondContact O-N 2.88Å
205	P	95	Very high	97.8	Very high	63 Å²	63	23.1 Å²	23.1	41%	0.409	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.6	-178.1	28.7	-35.1	0	0	0	113.8	G207 N367	P205-G207 PolarHBondContact O-N 3.39Å; P205-N367 VanDerWaalsContact CB-O 3.22Å; P205-N367 WeakPolarHBondContact CB-O 3.4Å
206	Q	92.8	Very high	97.8	Very high	116 Å²	116	21.7 Å²	21.7	54%	0.542	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.3	178.8	70.3	-79.5	8.8	0	0	113.2	G204	G204-Q206 PolarHBondContact O-N 3.34Å
207	G	96.9	Very high	97.8	Very high	15 Å²	15	21.8 Å²	21.8	16%	0.155	11%	0.108	C	C	.	.			trans	82.2	135	-172.3	0	0	0	0	0	111.8	S200 G204 P205	S200-G207 CarbonylContact O-C 3.52Å; S200-G207 VanDerWaalsContact O-CA 3.22Å; S200-G207 WeakPolarHBondContact O-CA 3.48Å; G204-G207 PolarHBondContact O-N 2.88Å; P205-G207 PolarHBondContact O-N 3.39Å
208	Y	98.6	Very high	97.8	Very high	14 Å²	14	21.8 Å²	21.8	6%	0.055	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-152.6	149.6	176.2	56.5	-82.7	0	0	0	110	S200 W203 Y210 V427	S200-Y208 PolarHBondContact N-O 3.15Å; S200-Y208 PolarHBondContact O-N 2.93Å; W203-Y208 PolarHBondContact N-OH 2.89Å; W203-Y208 VanDerWaalsContact N-OH 3.08Å; Y208-Y210 HydrophobicContact CE2-CD2 4.27Å; Y208-Y210 HydrophobicContact CE2-CG 4.16Å; Y208-Y210 PolarHBondContact O-N 2.92Å; Y208-V427 HydrophobicContact CD1-CB 4.35Å; Y208-V427 HydrophobicContact CD1-CG1 4.41Å; Y208-V427 HydrophobicContact CD2-CG1 4.08Å; Y208-V427 HydrophobicContact CE1-CB 4.31Å; Y208-V427 HydrophobicContact CE1-CG1 4.01Å; Y208-V427 HydrophobicContact CE1-CG2 4.37Å; Y208-V427 HydrophobicContact CE2-CB 4.49Å; Y208-V427 HydrophobicContact CE2-CG1 3.62Å; Y208-V427 HydrophobicContact CG-CB 4.49Å; Y208-V427 HydrophobicContact CG-CG1 4.45Å
209	F	98.8	Very high	97.8	Very high	66 Å²	66	21.8 Å²	21.8	29%	0.289	11%	0.108	S	C	.	.			trans	-72.2	122.8	172.3	-68.1	-67	0	0	0	108.9	E195 V197 L199 I214 W412	E195-F209 HydrophobicContact CB-CE1 4.26Å; E195-F209 HydrophobicContact CB-CZ 4.21Å; E195-F209 HydrophobicContact CG-CE1 4.17Å; E195-F209 HydrophobicContact CG-CE2 4.27Å; E195-F209 HydrophobicContact CG-CZ 3.66Å; V197-F209 HydrophobicContact CG2-CD1 3.97Å; V197-F209 HydrophobicContact CG2-CE1 3.85Å; L199-F209 HydrophobicContact CD1-CD1 3.61Å; L199-F209 HydrophobicContact CD1-CD2 3.94Å; L199-F209 HydrophobicContact CD1-CE1 3.61Å; L199-F209 HydrophobicContact CD1-CE2 3.94Å; L199-F209 HydrophobicContact CD1-CG 3.77Å; L199-F209 HydrophobicContact CD1-CZ 3.78Å; F209-I214 HydrophobicContact CB-CD1 3.9Å; F209-I214 HydrophobicContact CD1-CD1 3.97Å; F209-I214 HydrophobicContact CG-CD1 4.37Å; F209-W412 HydrophobicContact CB-CH2 4.09Å; F209-W412 HydrophobicContact CB-CZ2 3.38Å; F209-W412 AromaticContact CG-CZ2 3.94Å; F209-W412 HydrophobicContact CG-CZ2 3.94Å; F209-W412 AromaticContact CG-NE1 3.95Å
210	Y	98.8	Very high	97.8	Very high	8 Å²	8	21.2 Å²	21.2	3%	0.031	11%	0.105	C	C	.	.			trans	-115.4	109.4	-177.2	-177.9	-139.4	0	0	0	108.9	W203 Y208 I212 Q213 I214 I425	W203-Y210 HydrophobicContact CH2-CE2 4.26Å; W203-Y210 AromaticContact CH2-CZ 3.85Å; W203-Y210 WeakPolarHBondContact CH2-OH 3.46Å; W203-Y210 HydrophobicContact CZ3-CE2 4Å; Y208-Y210 HydrophobicContact CE2-CD2 4.27Å; Y208-Y210 HydrophobicContact CE2-CG 4.16Å; Y208-Y210 PolarHBondContact O-N 2.92Å; Y210-I212 HydrophobicContact CD1-CB 4.26Å; Y210-I212 HydrophobicContact CE1-CB 3.77Å; Y210-I212 HydrophobicContact CE1-CD1 4.43Å; Y210-I212 HydrophobicContact CE1-CG2 4.15Å; Y210-I212 HydrophobicContact CE2-CB 4.2Å; Y210-I212 HydrophobicContact CE2-CD1 3.94Å; Y210-I212 HydrophobicContact CE2-CG1 4.36Å; Y210-I212 PolarHBondContact O-N 3.44Å; Y210-I212 VanDerWaalsContact O-N 3.14Å; Y210-I212 WeakPolarHBondContact OH-CD1 3.45Å; Y210-Q213 HydrophobicContact CD1-CB 3.86Å; Y210-Q213 HydrophobicContact CG-CB 4.45Å; Y210-Q213 WeakPolarHBondContact O-CB 3.47Å; Y210-Q213 PolarHBondContact O-N 3.35Å; Y210-I214 PolarHBondContact O-N 3.22Å; Y210-I214 VanDerWaalsContact O-N 3.09Å; Y210-I425 HydrophobicContact CD2-CD1 4.44Å; Y210-I425 HydrophobicContact CD2-CG1 4.28Å; Y210-I425 HydrophobicContact CD2-CG2 4.32Å; Y210-I425 HydrophobicContact CE2-CD1 3.86Å; Y210-I425 HydrophobicContact CE2-CG1 4.19Å; Y210-I425 HydrophobicContact CE2-CG2 4.41Å
211	P	98.9	Very high	97.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-57.4	-35.1	-169.5	19.7	-34.1	0	0	0	113.4	Q213 I214 A215 W412 W423 I425 A447	P211-Q213 PolarHBondContact O-N 2.95Å; P211-I214 PolarHBondContact O-N 2.74Å; P211-A215 VanDerWaalsContact O-CB 3.31Å; P211-A215 WeakPolarHBondContact O-CB 3.25Å; P211-A215 PolarHBondContact O-N 3.25Å; P211-W412 HydrophobicContact CB-CH2 4.5Å; P211-W412 HydrophobicContact CB-CZ3 4.17Å; P211-W423 HydrophobicContact CB-CB 3.62Å; P211-W423 HydrophobicContact CB-CG 4.08Å; P211-W423 HydrophobicContact CG-CB 3.7Å; P211-I425 HydrophobicContact CG-CG1 4.17Å; P211-A447 HydrophobicContact CB-CB 4.2Å; P211-A447 HydrophobicContact CG-CB 3.85Å
212	I	98.9	Very high	97.9	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-45.6	174.9	-71.9	163	0	0	0	111.1	Y210 I214 Q216 M446 A447	Y210-I212 HydrophobicContact CD1-CB 4.26Å; Y210-I212 HydrophobicContact CE1-CB 3.77Å; Y210-I212 HydrophobicContact CE1-CD1 4.43Å; Y210-I212 HydrophobicContact CE1-CG2 4.15Å; Y210-I212 HydrophobicContact CE2-CB 4.2Å; Y210-I212 HydrophobicContact CE2-CD1 3.94Å; Y210-I212 HydrophobicContact CE2-CG1 4.36Å; Y210-I212 PolarHBondContact O-N 3.44Å; Y210-I212 VanDerWaalsContact O-N 3.14Å; Y210-I212 WeakPolarHBondContact OH-CD1 3.45Å; I212-I214 VanDerWaalsContact C-N 3.33Å; I212-I214 PolarHBondContact O-N 2.6Å; I212-Q216 VanDerWaalsContact CG2-NE2 3.3Å; I212-Q216 WeakPolarHBondContact O-CB 3.22Å; I212-Q216 WeakPolarHBondContact O-CG 3.36Å; I212-Q216 PolarHBondContact O-N 3.06Å; I212-M446 HydrophobicContact CD1-CB 3.91Å; I212-M446 HydrophobicContact CD1-CG 3.95Å; I212-M446 HydrophobicContact CD1-SD 4.04Å; I212-M446 HydrophobicContact CG1-CB 4.42Å; I212-M446 HydrophobicContact CG1-CG 4.15Å; I212-M446 HydrophobicContact CG2-CE 3.86Å; I212-M446 HydrophobicContact CG2-SD 4.26Å; I212-A447 HydrophobicContact CD1-CB 4.02Å; I212-A447 VanDerWaalsContact CG1-CA 3.4Å; I212-A447 HydrophobicContact CG1-CB 3.65Å
213	Q	98.9	Very high	98	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-67.9	-36.3	-179.6	-174.6	174.3	94.1	0	0	111.8	V182 V188 P198 S200 Y210 P211 Y217	V182-Q213 HydrophobicContact CG1-CG 4.02Å; V188-Q213 VanDerWaalsContact CG2-CD 3.5Å; V188-Q213 HydrophobicContact CG2-CG 4.16Å; P198-Q213 HydrophobicContact CB-CG 4.18Å; P198-Q213 HydrophobicContact CG-CG 3.97Å; S200-Q213 PolarHBondContact OG-NE2 3.38Å; Y210-Q213 HydrophobicContact CD1-CB 3.86Å; Y210-Q213 HydrophobicContact CG-CB 4.45Å; Y210-Q213 WeakPolarHBondContact O-CB 3.47Å; Y210-Q213 PolarHBondContact O-N 3.35Å; P211-Q213 PolarHBondContact O-N 2.95Å; Q213-Y217 WeakPolarHBondContact O-CB 3.36Å; Q213-Y217 PolarHBondContact O-N 3.06Å
214	I	98.9	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.7	-45.3	178	-63.9	167.8	0	0	0	110.7	V197 P198 F209 Y210 P211 I212 Q216 Y217 G218 A409 W412	V197-I214 HydrophobicContact CB-CD1 4.44Å; V197-I214 HydrophobicContact CB-CG1 4.12Å; V197-I214 HydrophobicContact CB-CG2 3.95Å; V197-I214 HydrophobicContact CG1-CG2 3.91Å; V197-I214 HydrophobicContact CG2-CD1 3.91Å; V197-I214 HydrophobicContact CG2-CG1 4.12Å; V197-I214 HydrophobicContact CG2-CG2 4.38Å; P198-I214 HydrophobicContact CG-CG1 4.1Å; F209-I214 HydrophobicContact CB-CD1 3.9Å; F209-I214 HydrophobicContact CD1-CD1 3.97Å; F209-I214 HydrophobicContact CG-CD1 4.37Å; Y210-I214 PolarHBondContact O-N 3.22Å; Y210-I214 VanDerWaalsContact O-N 3.09Å; P211-I214 PolarHBondContact O-N 2.74Å; I212-I214 VanDerWaalsContact C-N 3.33Å; I212-I214 PolarHBondContact O-N 2.6Å; I214-Q216 PolarHBondContact O-N 3.5Å; I214-Y217 WeakPolarHBondContact O-CB 3.5Å; I214-Y217 PolarHBondContact O-N 3.28Å; I214-G218 PolarHBondContact O-N 3.14Å; I214-A409 HydrophobicContact CG2-CB 3.92Å; I214-A409 WeakPolarHBondContact O-CB 3.41Å; I214-W412 HydrophobicContact CB-CE3 4.28Å; I214-W412 HydrophobicContact CD1-CD2 3.6Å; I214-W412 HydrophobicContact CD1-CE3 3.56Å; I214-W412 HydrophobicContact CD1-CG 4.42Å; I214-W412 HydrophobicContact CD1-CH2 3.66Å; I214-W412 HydrophobicContact CD1-CZ2 3.68Å; I214-W412 HydrophobicContact CD1-CZ3 3.59Å; I214-W412 HydrophobicContact CG2-CD2 4.2Å; I214-W412 HydrophobicContact CG2-CE3 3.78Å; I214-W412 HydrophobicContact CG2-CZ3 4.48Å
215	A	98.9	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-42.1	174.4	0	0	0	0	0	111.7	P211 Y217 G218 L219 Q450	P211-A215 VanDerWaalsContact O-CB 3.31Å; P211-A215 WeakPolarHBondContact O-CB 3.25Å; P211-A215 PolarHBondContact O-N 3.25Å; A215-Y217 VanDerWaalsContact C-N 3.33Å; A215-Y217 PolarHBondContact O-N 3.32Å; A215-G218 PolarHBondContact O-N 2.88Å; A215-L219 WeakPolarHBondContact O-CB 3.28Å; A215-L219 VanDerWaalsContact O-CG 3.31Å; A215-L219 WeakPolarHBondContact O-CG 3.43Å; A215-L219 PolarHBondContact O-N 2.74Å; A215-Q450 HydrophobicContact CB-CB 3.71Å
216	Q	98.9	Very high	98.5	Very high	18 Å²	18	22.5 Å²	22.5	8%	0.084	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-39.9	174.6	-72.5	177.1	14.6	0	0	112.6	F177 V182 I212 I214 S220 Q450	F177-Q216 HydrophobicContact CE2-CB 4.22Å; F177-Q216 HydrophobicContact CE2-CG 3.74Å; F177-Q216 HydrophobicContact CZ-CG 4.14Å; V182-Q216 HydrophobicContact CG2-CB 3.98Å; I212-Q216 VanDerWaalsContact CG2-NE2 3.3Å; I212-Q216 WeakPolarHBondContact O-CB 3.22Å; I212-Q216 WeakPolarHBondContact O-CG 3.36Å; I212-Q216 PolarHBondContact O-N 3.06Å; I214-Q216 PolarHBondContact O-N 3.5Å; Q216-S220 WeakPolarHBondContact O-CB 3.32Å; Q216-S220 PolarHBondContact O-N 2.79Å; Q216-S220 PolarHBondContact O-OG 3.02Å; Q216-Q450 VanDerWaalsContact NE2-OE1 3.1Å
217	Y	98.9	Very high	98.7	Very high	22 Å²	22	19.7 Å²	19.7	9%	0.086	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-53.6	174.4	176.8	-108.3	0	0	0	109.7	E183 I191 P198 Q213 I214 A215 S220 H221 A405 A409	E183-Y217 HydrophobicContact CB-CE2 4.45Å; I191-Y217 HydrophobicContact CD1-CE2 4.14Å; P198-Y217 HydrophobicContact CG-CG 4.11Å; Q213-Y217 WeakPolarHBondContact O-CB 3.36Å; Q213-Y217 PolarHBondContact O-N 3.06Å; I214-Y217 WeakPolarHBondContact O-CB 3.5Å; I214-Y217 PolarHBondContact O-N 3.28Å; A215-Y217 VanDerWaalsContact C-N 3.33Å; A215-Y217 PolarHBondContact O-N 3.32Å; Y217-S220 PolarHBondContact O-N 2.87Å; Y217-S220 PolarHBondContact O-OG 2.99Å; Y217-H221 AromaticContact CD2-CD2 3.71Å; Y217-H221 AromaticContact CD2-NE2 3.73Å; Y217-H221 AromaticContact CE2-CD2 3.58Å; Y217-H221 AromaticContact CE2-NE2 3.22Å; Y217-H221 WeakPolarHBondContact CE2-NE2 3.4Å; Y217-H221 AromaticContact CZ-NE2 3.83Å; Y217-H221 PolarHBondContact O-CD2 3.1Å; Y217-H221 VanDerWaalsContact O-CD2 3.28Å; Y217-H221 PolarHBondContact O-N 3.21Å; Y217-A405 HydrophobicContact CE1-CB 3.66Å; Y217-A405 HydrophobicContact CE2-CB 4.43Å; Y217-A405 WeakPolarHBondContact OH-CB 3.46Å; Y217-A409 HydrophobicContact CD1-CB 4.48Å
218	G	98.9	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56	-55.9	176	0	0	0	0	0	113.6	I214 A215 S220 H221 Y222 F406	I214-G218 PolarHBondContact O-N 3.14Å; A215-G218 PolarHBondContact O-N 2.88Å; G218-S220 VanDerWaalsContact C-N 3.3Å; G218-S220 PolarHBondContact O-N 2.95Å; G218-H221 PolarHBondContact O-N 2.84Å; G218-Y222 WeakPolarHBondContact O-CB 3.43Å; G218-Y222 PolarHBondContact O-N 3.15Å; G218-F406 WeakPolarHBondContact O-CD2 3.35Å
219	L	98.9	Very high	98.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-34.8	-177.7	-70.6	168.3	0	0	0	113.2	F174 F177 A215 S223 Q450 T454	F174-L219 HydrophobicContact CB-CB 4.13Å; F174-L219 HydrophobicContact CB-CD2 4.02Å; F174-L219 HydrophobicContact CB-CG 4.49Å; F174-L219 HydrophobicContact CD1-CB 4.3Å; F174-L219 HydrophobicContact CD1-CD1 3.83Å; F174-L219 HydrophobicContact CD1-CG 4.48Å; F174-L219 HydrophobicContact CD2-CD1 4.18Å; F174-L219 HydrophobicContact CD2-CD2 4.03Å; F174-L219 HydrophobicContact CE1-CD1 3.89Å; F174-L219 HydrophobicContact CE2-CD1 4.25Å; F174-L219 HydrophobicContact CG-CB 4.26Å; F174-L219 HydrophobicContact CG-CD1 3.95Å; F174-L219 HydrophobicContact CG-CD2 3.97Å; F174-L219 HydrophobicContact CG-CG 4.28Å; F174-L219 HydrophobicContact CZ-CD1 4.1Å; F177-L219 HydrophobicContact CD2-CB 3.68Å; F177-L219 HydrophobicContact CE2-CB 4.12Å; F177-L219 HydrophobicContact CE2-CD1 4.2Å; A215-L219 WeakPolarHBondContact O-CB 3.28Å; A215-L219 VanDerWaalsContact O-CG 3.31Å; A215-L219 WeakPolarHBondContact O-CG 3.43Å; A215-L219 PolarHBondContact O-N 2.74Å; L219-S223 WeakPolarHBondContact O-CB 3.25Å; L219-S223 PolarHBondContact O-N 3.33Å; L219-S223 PolarHBondContact O-OG 2.82Å; L219-Q450 HydrophobicContact CD1-CB 4.23Å; L219-T454 WeakPolarHBondContact CG-OG1 3.42Å
220	S	98.9	Very high	98.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71	-42.3	176.1	73.1	0	0	0	0	112	F177 Q216 Y217 G218 S223 K224	F177-S220 WeakPolarHBondContact O-CA 3.46Å; F177-S220 WeakPolarHBondContact O-CB 3.46Å; Q216-S220 WeakPolarHBondContact O-CB 3.32Å; Q216-S220 PolarHBondContact O-N 2.79Å; Q216-S220 PolarHBondContact O-OG 3.02Å; Y217-S220 PolarHBondContact O-N 2.87Å; Y217-S220 PolarHBondContact O-OG 2.99Å; G218-S220 VanDerWaalsContact C-N 3.3Å; G218-S220 PolarHBondContact O-N 2.95Å; S220-S223 PolarHBondContact O-N 2.79Å; S220-K224 VanDerWaalsContact O-CG 3.31Å; S220-K224 WeakPolarHBondContact O-CG 3.34Å; S220-K224 PolarHBondContact O-N 2.81Å
221	H	98.9	Very high	98.7	Very high	19 Å²	19	35.7 Å²	35.7	9%	0.088	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-41.8	174.3	-82.3	-93.8	0	0	0	111.3	E183 Y217 G218 S223 K224 N225 H402 A405	E183-H221 IonicContact OE1-NE2 2.78Å; E183-H221 IonicContact OE2-NE2 3.2Å; Y217-H221 AromaticContact CD2-CD2 3.71Å; Y217-H221 AromaticContact CD2-NE2 3.73Å; Y217-H221 AromaticContact CE2-CD2 3.58Å; Y217-H221 AromaticContact CE2-NE2 3.22Å; Y217-H221 WeakPolarHBondContact CE2-NE2 3.4Å; Y217-H221 AromaticContact CZ-NE2 3.83Å; Y217-H221 PolarHBondContact O-CD2 3.1Å; Y217-H221 VanDerWaalsContact O-CD2 3.28Å; Y217-H221 PolarHBondContact O-N 3.21Å; G218-H221 PolarHBondContact O-N 2.84Å; H221-S223 VanDerWaalsContact C-N 3.32Å; H221-S223 PolarHBondContact O-N 3.19Å; H221-K224 PolarHBondContact O-N 3.32Å; H221-N225 PolarHBondContact O-N 2.85Å; H221-H402 HydrophobicContact CB-CB 4.13Å; H221-H402 WeakPolarHBondContact CB-O 3.28Å; H221-H402 AromaticContact CE1-ND1 3.98Å; H221-H402 AromaticContact CG-ND1 3.92Å; H221-H402 AromaticContact ND1-CG 3.99Å; H221-H402 AromaticContact ND1-ND1 3.15Å; H221-H402 PolarHBondContact ND1-ND1 3.23Å; H221-H402 VanDerWaalsContact ND1-ND1 3.15Å; H221-H402 WeakPolarHBondContact O-CB 3.47Å; H221-A405 HydrophobicContact CB-CB 3.93Å; H221-A405 VanDerWaalsContact CG-CB 3.47Å
222	Y	98.9	Very high	98.7	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-54.8	-47.5	172.3	-174.9	-87.1	0	0	0	112.1	D171 G172 G218 N225 L226 F406 R457 L461	D171-Y222 PolarHBondContact O-OH 2.95Å; G172-Y222 WeakPolarHBondContact O-CE1 3.23Å; G218-Y222 WeakPolarHBondContact O-CB 3.43Å; G218-Y222 PolarHBondContact O-N 3.15Å; Y222-N225 WeakPolarHBondContact O-CB 3.31Å; Y222-N225 PolarHBondContact O-N 3.1Å; Y222-L226 HydrophobicContact CD1-CD1 4.08Å; Y222-L226 HydrophobicContact CE1-CD1 3.6Å; Y222-L226 HydrophobicContact CE1-CG 4.39Å; Y222-L226 PolarHBondContact O-N 2.82Å; Y222-F406 HydrophobicContact CD2-CD1 4.16Å; Y222-F406 AromaticContact CD2-CD2 3.89Å; Y222-F406 HydrophobicContact CD2-CD2 3.89Å; Y222-F406 AromaticContact CD2-CE1 3.99Å; Y222-F406 HydrophobicContact CD2-CE1 3.99Å; Y222-F406 AromaticContact CD2-CE2 3.7Å; Y222-F406 HydrophobicContact CD2-CE2 3.7Å; Y222-F406 HydrophobicContact CD2-CG 4.09Å; Y222-F406 AromaticContact CD2-CZ 3.75Å; Y222-F406 HydrophobicContact CD2-CZ 3.75Å; Y222-F406 HydrophobicContact CE2-CE1 4.42Å; Y222-F406 HydrophobicContact CE2-CZ 4.22Å; Y222-F406 HydrophobicContact CG-CD2 4.21Å; Y222-F406 HydrophobicContact CG-CE2 4.16Å; Y222-R457 HydrophobicContact CD1-CG 4.41Å; Y222-R457 HydrophobicContact CD2-CB 4.14Å; Y222-R457 HydrophobicContact CE1-CB 4.49Å; Y222-R457 HydrophobicContact CE1-CG 3.94Å; Y222-R457 HydrophobicContact CE2-CB 3.73Å; Y222-R457 HydrophobicContact CE2-CG 4.08Å; Y222-L461 HydrophobicContact CD2-CD1 4.26Å; Y222-L461 HydrophobicContact CE2-CD1 3.64Å; Y222-L461 HydrophobicContact CE2-CG 4.22Å
223	S	98.9	Very high	98.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-38.8	-179.3	-54.8	0	0	0	0	112.3	F174 L219 S220 H221 N225 L226 T227	F174-S223 PolarHBondContact N-OG 3.31Å; L219-S223 WeakPolarHBondContact O-CB 3.25Å; L219-S223 PolarHBondContact O-N 3.33Å; L219-S223 PolarHBondContact O-OG 2.82Å; S220-S223 PolarHBondContact O-N 2.79Å; H221-S223 VanDerWaalsContact C-N 3.32Å; H221-S223 PolarHBondContact O-N 3.19Å; S223-N225 VanDerWaalsContact C-N 3.35Å; S223-L226 PolarHBondContact O-N 2.8Å; S223-T227 WeakPolarHBondContact O-CG2 3.24Å; S223-T227 PolarHBondContact O-N 2.7Å; S223-T227 PolarHBondContact O-OG1 3.18Å
224	K	98.8	Very high	98.5	Very high	15 Å²	15	47.8 Å²	47.8	7%	0.065	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-39	173.2	-71.2	-179.6	-164.1	101.4	0	112.1	E178 Y180 S220 H221 L226 T227 E228 H402	E178-K224 WeakPolarHBondContact O-CG 3.4Å; Y180-K224 VanDerWaalsContact O-CE 3.28Å; Y180-K224 WeakPolarHBondContact O-CE 3.07Å; Y180-K224 PolarHBondContact O-NZ 3.02Å; S220-K224 VanDerWaalsContact O-CG 3.31Å; S220-K224 WeakPolarHBondContact O-CG 3.34Å; S220-K224 PolarHBondContact O-N 2.81Å; H221-K224 PolarHBondContact O-N 3.32Å; K224-L226 PolarHBondContact O-N 3.36Å; K224-L226 VanDerWaalsContact O-N 3.16Å; K224-T227 WeakPolarHBondContact CA-OG1 3.44Å; K224-T227 PolarHBondContact O-N 3.29Å; K224-T227 PolarHBondContact O-OG1 2.73Å; K224-E228 HydrophobicContact CB-CG 4.22Å; K224-E228 WeakPolarHBondContact CD-OE1 3.41Å; K224-E228 WeakPolarHBondContact CG-OE1 3.22Å; K224-E228 WeakPolarHBondContact O-CB 3.42Å; K224-E228 PolarHBondContact O-N 3.37Å; K224-H402 VanDerWaalsContact CB-CE1 3.45Å; K224-H402 WeakPolarHBondContact CB-CE1 3.45Å
225	N	98.8	Very high	98.4	Very high	74 Å²	74	51.6 Å²	51.6	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-57.1	-31.8	175.6	-172.7	78.7	0	0	0	113	H221 Y222 S223 H402 M403	H221-N225 PolarHBondContact O-N 2.85Å; Y222-N225 WeakPolarHBondContact O-CB 3.31Å; Y222-N225 PolarHBondContact O-N 3.1Å; S223-N225 VanDerWaalsContact C-N 3.35Å; N225-H402 HydrophobicContact CB-CB 3.8Å; N225-M403 HydrophobicContact CB-SD 3.92Å; N225-M403 VanDerWaalsContact CG-SD 3.54Å; N225-M403 WeakPolarHBondContact OD1-CG 3.45Å
226	L	98.6	Very high	98.1	Very high	87 Å²	87	53.8 Å²	53.8	46%	0.455	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.3	179	-63.2	177.7	0	0	0	114	V173 Y222 S223 K224	V173-L226 HydrophobicContact CG1-CB 4.1Å; V173-L226 HydrophobicContact CG1-CD1 4.08Å; Y222-L226 HydrophobicContact CD1-CD1 4.08Å; Y222-L226 HydrophobicContact CE1-CD1 3.6Å; Y222-L226 HydrophobicContact CE1-CG 4.39Å; Y222-L226 PolarHBondContact O-N 2.82Å; S223-L226 PolarHBondContact O-N 2.8Å; K224-L226 PolarHBondContact O-N 3.36Å; K224-L226 VanDerWaalsContact O-N 3.16Å
227	T	98.4	Very high	97.8	Very high	57 Å²	57	53.7 Å²	53.7	35%	0.35	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-29.1	-166.5	51.7	0	0	0	0	114.2	V173 E178 S223 K224	V173-T227 HydrophobicContact CG1-CG2 3.76Å; E178-T227 HydrophobicContact CB-CG2 4.38Å; E178-T227 WeakPolarHBondContact OE2-CG2 3.26Å; S223-T227 WeakPolarHBondContact O-CG2 3.24Å; S223-T227 PolarHBondContact O-N 2.7Å; S223-T227 PolarHBondContact O-OG1 3.18Å; K224-T227 WeakPolarHBondContact CA-OG1 3.44Å; K224-T227 PolarHBondContact O-N 3.29Å; K224-T227 PolarHBondContact O-OG1 2.73Å
228	E	98.4	Very high	97.4	Very high	87 Å²	87	54.5 Å²	54.5	41%	0.407	28%	0.282	S	S	.	.	S	Bend	trans	-80.1	160	173.9	-64.7	-172.2	-168.4	0	0	111.3	K224 H402	K224-E228 HydrophobicContact CB-CG 4.22Å; K224-E228 WeakPolarHBondContact CD-OE1 3.41Å; K224-E228 WeakPolarHBondContact CG-OE1 3.22Å; K224-E228 WeakPolarHBondContact O-CB 3.42Å; K224-E228 PolarHBondContact O-N 3.37Å; E228-H402 IonicContact OE2-CE1 2.68Å; E228-H402 IonicContact OE2-NE2 3.88Å; E228-H402 PolarHBondContact OE2-NE2 2.85Å; E228-H402 VanDerWaalsContact OE2-NE2 3.11Å
229	K	98.1	Very high	96.9	Very high	186 Å²	186	54.6 Å²	54.6	81%	0.809	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-67.4	149	173.5	-67.1	-176.9	179.1	-178.6	0	109.7
230	P	98.1	Very high	96.3	Very high	121 Å²	121	57.9 Å²	57.9	79%	0.786	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-51.6	137.9	171.7	-26.5	34.7	0	0	0	111.3
231	P	98.1	Very high	95	Very high	46 Å²	46	63.7 Å²	63.7	30%	0.299	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-69.4	149.5	-175.5	28.7	-34.9	0	0	0	111.2	I233	P231-I233 HydrophobicContact CG-CD1 4.34Å; P231-I233 HydrophobicContact CG-CG1 4.22Å
232	H	98.1	Very high	93.1	Very high	105 Å²	105	73.1 Å²	73.1	49%	0.486	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-66.8	137.9	157.5	-179.1	65.6	0	0	0	108.2	D292 S398 T399	H232-D292 IonicContact CD2-OD2 3.26Å; H232-D292 PolarHBondContact CD2-OD2 3.45Å; H232-D292 VanDerWaalsContact CD2-OD2 3.26Å; H232-S398 CarbonylContact O-C 3.57Å; H232-S398 WeakPolarHBondContact O-CA 3.24Å; H232-T399 PolarHBondContact N-OG1 2.95Å; H232-T399 VanDerWaalsContact N-OG1 3.1Å; H232-T399 PolarHBondContact O-N 3.49Å
233	I	97.9	Very high	90.6	Very high	95 Å²	95	79.2 Å²	79.2	49%	0.487	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.4	177.5	-54.6	-177.8	0	0	0	107.4	P231 V235 T396	P231-I233 HydrophobicContact CG-CD1 4.34Å; P231-I233 HydrophobicContact CG-CG1 4.22Å; I233-V235 HydrophobicContact CG2-CG2 4.48Å; I233-T396 HydrophobicContact CG2-CG2 4.4Å
234	E	96.9	Very high	88.6	Confident	62 Å²	62	87.3 Å²	87.3	29%	0.29	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.8	174	-168.2	173.3	-164.7	0	0	109.3	Y236 N289 T396 I397	E234-Y236 HydrophobicContact CB-CE2 3.9Å; E234-Y236 VanDerWaalsContact CD-CZ 3.48Å; E234-Y236 HydrophobicContact CG-CD2 4.43Å; E234-Y236 HydrophobicContact CG-CE2 3.75Å; E234-Y236 PolarHBondContact OE2-OH 3.01Å; E234-N289 PolarHBondContact OE2-ND2 3.33Å; E234-T396 CarbonylContact O-C 3.25Å; E234-T396 WeakPolarHBondContact O-CA 3.4Å; E234-I397 PolarHBondContact N-O 3.46Å; E234-I397 PolarHBondContact O-N 3.1Å
235	V	95.6	Very high	86.2	Confident	81 Å²	81	92.8 Å²	92.8	49%	0.491	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.3	-179.8	-173.1	0	0	0	0	109	I233 T238 T396	I233-V235 HydrophobicContact CG2-CG2 4.48Å; V235-T238 HydrophobicContact CG1-CG2 3.47Å; V235-T238 VanDerWaalsContact CG1-CG2 3.47Å; V235-T396 HydrophobicContact CB-CG2 4.3Å; V235-T396 HydrophobicContact CG1-CG2 4.2Å; V235-T396 HydrophobicContact CG2-CG2 3.92Å
236	Y	93.1	Very high	83.6	Confident	45 Å²	45	96.9 Å²	96.9	18%	0.176	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-29	-174.9	-69.8	-91.7	0	0	0	113.5	E234 L287 N289 I395 I397	E234-Y236 HydrophobicContact CB-CE2 3.9Å; E234-Y236 VanDerWaalsContact CD-CZ 3.48Å; E234-Y236 HydrophobicContact CG-CD2 4.43Å; E234-Y236 HydrophobicContact CG-CE2 3.75Å; E234-Y236 PolarHBondContact OE2-OH 3.01Å; Y236-L287 HydrophobicContact CD1-CB 4.38Å; Y236-L287 HydrophobicContact CD1-CD2 3.4Å; Y236-L287 VanDerWaalsContact CD1-CD2 3.4Å; Y236-L287 HydrophobicContact CD1-CG 4.48Å; Y236-L287 HydrophobicContact CD2-CD2 3.88Å; Y236-L287 HydrophobicContact CE1-CB 3.96Å; Y236-L287 HydrophobicContact CE1-CD2 3.81Å; Y236-L287 WeakPolarHBondContact CE1-O 3.4Å; Y236-L287 HydrophobicContact CE2-CD2 4.26Å; Y236-L287 HydrophobicContact CG-CD2 3.42Å; Y236-L287 VanDerWaalsContact CG-CD2 3.42Å; Y236-N289 WeakPolarHBondContact OH-CB 3.45Å; Y236-I395 PolarHBondContact N-O 3.48Å; Y236-I397 HydrophobicContact CD2-CG1 4.36Å; Y236-I397 HydrophobicContact CE2-CB 3.95Å; Y236-I397 HydrophobicContact CE2-CD1 3.77Å; Y236-I397 HydrophobicContact CE2-CG1 3.74Å
237	E	92.3	Very high	81.5	Confident	17 Å²	17	100.5 Å²	100.5	8%	0.079	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	130.2	-179.1	179.4	63.7	-82	0	0	110	A239 W251 K272 L285 N394 I395	E237-A239 WeakPolarHBondContact OE1-CA 3.37Å; E237-A239 PolarHBondContact OE1-N 3.26Å; E237-W251 PolarHBondContact OE2-NE1 2.55Å; E237-K272 VanDerWaalsContact OE2-CE 3.31Å; E237-K272 WeakPolarHBondContact OE2-CE 3.3Å; E237-K272 IonicContact OE2-NZ 2.83Å; E237-K272 PolarHBondContact OE2-NZ 2.92Å; E237-L285 HydrophobicContact CB-CD2 4.24Å; E237-N394 WeakPolarHBondContact O-CA 3.16Å; E237-N394 PolarHBondContact O-N 3.45Å; E237-I395 HydrophobicContact CB-CB 4.11Å; E237-I395 HydrophobicContact CB-CD1 3.99Å; E237-I395 HydrophobicContact CB-CG1 4.11Å; E237-I395 HydrophobicContact CG-CD1 4.38Å; E237-I395 PolarHBondContact O-N 3.16Å
238	T	90.4	Very high	79.4	Confident	38 Å²	38	102.8 Å²	102.8	23%	0.233	51%	0.513	C	S	.	.			trans	-128.9	-1.1	172.4	67.7	0	0	0	0	112.3	V235 E240	V235-T238 HydrophobicContact CG1-CG2 3.47Å; V235-T238 VanDerWaalsContact CG1-CG2 3.47Å; T238-E240 PolarHBondContact O-N 3.39Å
239	A	88.9	Confident	77.7	Confident	2 Å²	2	104.4 Å²	104.4	2%	0.017	52%	0.524	C	S	.	.	S	Bend	trans	55.8	6.2	-173.8	0	0	0	0	0	116.3	E237 N261 N270	E237-A239 WeakPolarHBondContact OE1-CA 3.37Å; E237-A239 PolarHBondContact OE1-N 3.26Å; A239-N261 PolarHBondContact O-ND2 2.92Å; A239-N270 HydrophobicContact CB-CB 4.12Å; A239-N270 WeakPolarHBondContact O-CB 3.41Å
240	E	86.3	Confident	77.1	Confident	69 Å²	69	99 Å²	99	32%	0.322	50%	0.504	S	S	.	.	S	Bend	trans	-90	159.7	177.3	-64.4	-55.2	153.2	0	0	112.1	T238 R242 T269 N270	T238-E240 PolarHBondContact O-N 3.39Å; E240-R242 PolarHBondContact O-N 2.89Å; E240-T269 PolarHBondContact OE1-OG1 3.03Å; E240-N270 VanDerWaalsContact OE1-CB 3.28Å; E240-N270 WeakPolarHBondContact OE1-CB 3.34Å; E240-N270 PolarHBondContact OE1-N 3.27Å; E240-N270 PolarHBondContact OE1-ND2 2.96Å; E240-N270 PolarHBondContact OE2-ND2 3.44Å
241	D	71.7	Confident	76.9	Confident	122 Å²	122	94.7 Å²	94.7	65%	0.652	47%	0.472	S	S	*	.			trans	-70.5	18.5	176	-84.3	-55.5	0	0	0	114.1	D243 K244	D241-D243 PolarHBondContact O-N 2.59Å; D241-D243 VanDerWaalsContact O-N 3.11Å; D241-K244 WeakPolarHBondContact OD1-CE 3.34Å; D241-K244 IonicContact OD1-NZ 3.03Å; D241-K244 PolarHBondContact OD1-NZ 2.93Å
242	R	58.1	Low	76.9	Confident	218 Å²	218	97 Å²	97	82%	0.823	49%	0.485	S	S	*	.			trans	-67.4	113.7	-179.6	-83.4	-165.4	172.1	-169.8	-0.5	110.6	E240	E240-R242 PolarHBondContact O-N 2.89Å
243	D	47.6	Very low	76.8	Confident	136 Å²	136	95 Å²	95	73%	0.727	48%	0.481	S	S	*	.			trans	51.1	78.9	170.1	-80.1	-35.8	0	0	0	116.1	D241 N245	D241-D243 PolarHBondContact O-N 2.59Å; D241-D243 VanDerWaalsContact O-N 3.11Å; D243-N245 PolarHBondContact O-N 2.98Å
244	K	55.7	Low	76.7	Confident	170 Å²	170	91.9 Å²	91.9	74%	0.739	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	7.2	160.1	-65.7	176.9	-178.4	166.4	0	114.2	D241	D241-K244 WeakPolarHBondContact OD1-CE 3.34Å; D241-K244 IonicContact OD1-NZ 3.03Å; D241-K244 PolarHBondContact OD1-NZ 2.93Å
245	N	48.5	Very low	76.7	Confident	130 Å²	130	99.3 Å²	99.3	70%	0.695	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	7.6	-160.7	-89.5	-5.4	0	0	0	116.2	D243	D243-N245 PolarHBondContact O-N 2.98Å
246	N	45.8	Very low	76.7	Confident	161 Å²	161	98.4 Å²	98.4	86%	0.861	51%	0.505	S	S	*	.	S	Bend	trans	-151.7	-8	170.2	-100.4	-32.6	0	0	0	120.7
247	K	54.3	Low	76.9	Confident	163 Å²	163	97.2 Å²	97.2	71%	0.709	50%	0.503	S	S	*	.			trans	-146.7	135.7	165.5	-69.5	-172.6	-177.7	171	0	111.1
248	P	52.5	Low	77.1	Confident	105 Å²	105	101.5 Å²	101.5	68%	0.682	52%	0.522	S	S	*	.			trans	-60	155.6	173.1	26	-32.4	0	0	0	110.7	D250	P248-D250 PolarHBondContact O-N 2.86Å
249	N	63.8	Low	77.4	Confident	120 Å²	120	101 Å²	101	64%	0.642	52%	0.517	S	S	*	.			trans	-52	98.9	169.9	-110	-23.6	0	0	0	109.3	W251	N249-W251 PolarHBondContact O-N 2.84Å
250	D	86.1	Confident	77.7	Confident	74 Å²	74	102.2 Å²	102.2	40%	0.396	53%	0.527	S	S	.	.			trans	-77	26.1	-174.2	-97.9	-9.3	0	0	0	113.1	P248 L285 Q286	P248-D250 PolarHBondContact O-N 2.86Å; D250-L285 HydrophobicContact CB-CD1 4.11Å; D250-Q286 HydrophobicContact CB-CB 4.1Å; D250-Q286 PolarHBondContact O-N 3.45Å; D250-Q286 VanDerWaalsContact O-N 3.15Å
251	W	93.9	Very high	78.1	Confident	29 Å²	29	102.7 Å²	102.7	11%	0.11	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.1	174.9	-76.2	100.9	0	0	0	110.9	E237 N249 M259 K272 V283 S284 L285 L384 L392 I395	E237-W251 PolarHBondContact OE2-NE1 2.55Å; N249-W251 PolarHBondContact O-N 2.84Å; W251-M259 HydrophobicContact CB-SD 4.05Å; W251-M259 HydrophobicContact CD2-CE 3.43Å; W251-M259 VanDerWaalsContact CD2-CE 3.43Å; W251-M259 HydrophobicContact CD2-SD 3.59Å; W251-M259 VanDerWaalsContact CD2-SD 3.59Å; W251-M259 HydrophobicContact CE3-CE 3.47Å; W251-M259 VanDerWaalsContact CE3-CE 3.47Å; W251-M259 HydrophobicContact CE3-SD 3.39Å; W251-M259 HydrophobicContact CG-CE 4.05Å; W251-M259 HydrophobicContact CG-SD 3.9Å; W251-M259 HydrophobicContact CH2-CE 3.83Å; W251-M259 HydrophobicContact CZ2-CE 3.78Å; W251-M259 HydrophobicContact CZ3-CE 3.68Å; W251-M259 HydrophobicContact CZ3-SD 4.03Å; W251-K272 HydrophobicContact CZ2-CG 4.41Å; W251-V283 HydrophobicContact CE3-CB 4.36Å; W251-V283 HydrophobicContact CE3-CG2 4.4Å; W251-V283 HydrophobicContact CZ3-CB 4.41Å; W251-V283 HydrophobicContact CZ3-CG2 4.01Å; W251-S284 CarbonylContact C-O 3.46Å; W251-S284 VanDerWaalsContact CA-O 3.27Å; W251-S284 WeakPolarHBondContact CA-O 3.18Å; W251-L285 HydrophobicContact CD2-CB 3.83Å; W251-L285 HydrophobicContact CD2-CD1 4.19Å; W251-L285 HydrophobicContact CD2-CG 4.5Å; W251-L285 HydrophobicContact CE3-CB 3.78Å; W251-L285 HydrophobicContact CG-CD1 4.25Å; W251-L285 HydrophobicContact CH2-CB 3.71Å; W251-L285 HydrophobicContact CH2-CD2 4.39Å; W251-L285 HydrophobicContact CZ2-CB 3.75Å; W251-L285 HydrophobicContact CZ2-CD2 3.81Å; W251-L285 HydrophobicContact CZ2-CG 4.25Å; W251-L285 HydrophobicContact CZ3-CB 3.72Å; W251-L384 HydrophobicContact CH2-CD2 4.15Å; W251-L392 HydrophobicContact CH2-CD1 4.22Å; W251-I395 HydrophobicContact CH2-CD1 4.19Å; W251-I395 HydrophobicContact CZ2-CD1 3.86Å
252	T	96.6	Very high	79.2	Confident	94 Å²	94	98.9 Å²	98.9	58%	0.577	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.2	165.2	-57.9	0	0	0	0	109.2	V283 S284	T252-V283 WeakPolarHBondContact O-CA 3.46Å; T252-S284 PolarHBondContact N-O 2.91Å; T252-S284 PolarHBondContact O-N 3.48Å
253	V	96.8	Very high	81.1	Confident	64 Å²	64	92.1 Å²	92.1	39%	0.388	50%	0.503	S	S	.	.			trans	-117.9	98.4	179.6	-173.6	0	0	0	0	109.2	C257 M259 V283	V253-C257 HydrophobicContact CG1-CB 3.93Å; V253-M259 HydrophobicContact CG2-CB 4.14Å; V253-M259 HydrophobicContact CG2-CG 3.82Å; V253-M259 HydrophobicContact CG2-SD 3.77Å; V253-V283 HydrophobicContact CG1-CG1 4.11Å; V253-V283 HydrophobicContact CG2-CG1 4.42Å
254	P	96.5	Very high	83.4	Confident	30 Å²	30	86.7 Å²	86.7	20%	0.195	47%	0.474	C	S	.	.			trans	-64.6	163.4	-179.9	-23.1	34.5	0	0	0	113.5	G256 C257 E281 G282	P254-G256 PolarHBondContact O-N 3Å; P254-C257 WeakPolarHBondContact O-CB 3.42Å; P254-C257 PolarHBondContact O-N 3.14Å; P254-E281 HydrophobicContact CG-CB 4.26Å; P254-G282 VanDerWaalsContact CD-O 3.32Å; P254-G282 WeakPolarHBondContact CD-O 3.27Å; P254-G282 WeakPolarHBondContact CG-O 3.34Å
255	K	95.9	Very high	85.2	Confident	218 Å²	218	87.6 Å²	87.6	95%	0.948	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	128.6	175.7	-173.5	179.1	-179.6	-179.7	0	110.5	C257	K255-C257 VanDerWaalsContact C-N 3.34Å
256	G	94.8	Very high	87.4	Confident	62 Å²	62	85.1 Å²	85.1	64%	0.639	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	0.1	-177.1	0	0	0	0	0	114.3	P254	P254-G256 PolarHBondContact O-N 3Å
257	C	97.6	Very high	89.6	Confident	19 Å²	19	82.8 Å²	82.8	13%	0.128	45%	0.45	C	S	.	.			trans	-103	160.3	167.3	-55.2	0	0	0	0	111	V253 P254 K255 I275 A276 V283	V253-C257 HydrophobicContact CG1-CB 3.93Å; P254-C257 WeakPolarHBondContact O-CB 3.42Å; P254-C257 PolarHBondContact O-N 3.14Å; K255-C257 VanDerWaalsContact C-N 3.34Å; C257-I275 CarbonylContact C-O 3.56Å; C257-I275 WeakPolarHBondContact CA-O 3.44Å; C257-A276 HydrophobicContact CB-CB 4.19Å; C257-V283 HydrophobicContact CB-CG1 3.67Å
258	F	97.1	Very high	91.5	Very high	107 Å²	107	84.2 Å²	84.2	47%	0.469	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.2	178.4	177.9	-94.8	0	0	0	110.7	A260 F274 I275	F258-A260 HydrophobicContact CE1-CB 3.66Å; F258-A260 HydrophobicContact CZ-CB 3.81Å; F258-F274 WeakPolarHBondContact O-CA 3.21Å; F258-I275 HydrophobicContact CB-CB 4.26Å; F258-I275 HydrophobicContact CD1-CD1 4.29Å; F258-I275 PolarHBondContact N-O 3.18Å; F258-I275 PolarHBondContact O-N 3.02Å
259	M	96.1	Very high	93.5	Very high	29 Å²	29	80.8 Å²	80.8	14%	0.143	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.2	171.8	-66.3	-167.7	78.4	0	0	111.1	W251 V253 K272 Q273 F274 V283	W251-M259 HydrophobicContact CB-SD 4.05Å; W251-M259 HydrophobicContact CD2-CE 3.43Å; W251-M259 VanDerWaalsContact CD2-CE 3.43Å; W251-M259 HydrophobicContact CD2-SD 3.59Å; W251-M259 VanDerWaalsContact CD2-SD 3.59Å; W251-M259 HydrophobicContact CE3-CE 3.47Å; W251-M259 VanDerWaalsContact CE3-CE 3.47Å; W251-M259 HydrophobicContact CE3-SD 3.39Å; W251-M259 HydrophobicContact CG-CE 4.05Å; W251-M259 HydrophobicContact CG-SD 3.9Å; W251-M259 HydrophobicContact CH2-CE 3.83Å; W251-M259 HydrophobicContact CZ2-CE 3.78Å; W251-M259 HydrophobicContact CZ3-CE 3.68Å; W251-M259 HydrophobicContact CZ3-SD 4.03Å; V253-M259 HydrophobicContact CG2-CB 4.14Å; V253-M259 HydrophobicContact CG2-CG 3.82Å; V253-M259 HydrophobicContact CG2-SD 3.77Å; M259-K272 HydrophobicContact CE-CD 4.11Å; M259-K272 HydrophobicContact CE-CG 3.33Å; M259-Q273 VanDerWaalsContact CA-O 3.26Å; M259-Q273 WeakPolarHBondContact CA-O 3.17Å; M259-F274 HydrophobicContact CE-CB 4.46Å; M259-F274 HydrophobicContact CG-CB 4.4Å; M259-V283 HydrophobicContact CE-CG2 4.19Å; M259-V283 HydrophobicContact CG-CB 3.99Å; M259-V283 HydrophobicContact CG-CG1 3.66Å; M259-V283 HydrophobicContact CG-CG2 4.12Å; M259-V283 HydrophobicContact SD-CB 3.56Å; M259-V283 VanDerWaalsContact SD-CB 3.56Å; M259-V283 HydrophobicContact SD-CG1 3.92Å; M259-V283 HydrophobicContact SD-CG2 3.74Å
260	A	95.2	Very high	95	Very high	26 Å²	26	77.3 Å²	77.3	22%	0.215	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153.2	174.5	0	0	0	0	0	111.2	F258 V262 Q273	F258-A260 HydrophobicContact CE1-CB 3.66Å; F258-A260 HydrophobicContact CZ-CB 3.81Å; A260-V262 HydrophobicContact CB-CG1 4.29Å; A260-Q273 PolarHBondContact N-O 2.95Å; A260-Q273 VanDerWaalsContact N-O 3.1Å; A260-Q273 PolarHBondContact O-N 3.36Å
261	N	94.6	Very high	95.5	Very high	79 Å²	79	73.9 Å²	73.9	42%	0.422	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.4	163.7	-65.1	10.1	0	0	0	107.7	A239 V271 K272	A239-N261 PolarHBondContact O-ND2 2.92Å; N261-V271 WeakPolarHBondContact CA-O 3.23Å; N261-K272 WeakPolarHBondContact OD1-CD 3.34Å; N261-K272 WeakPolarHBondContact OD1-CE 3.42Å; N261-K272 PolarHBondContact OD1-NZ 3.25Å
262	V	96.4	Very high	95.6	Very high	43 Å²	43	72.8 Å²	72.8	26%	0.261	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.3	179.2	-60.6	0	0	0	0	110.1	A260 N270 V271 Q273 F391	A260-V262 HydrophobicContact CB-CG1 4.29Å; V262-N270 CarbonylContact O-C 3.58Å; V262-N270 WeakPolarHBondContact O-CA 3.35Å; V262-V271 HydrophobicContact CG2-CG2 3.72Å; V262-V271 PolarHBondContact N-O 2.87Å; V262-V271 WeakPolarHBondContact O-CG2 3.49Å; V262-V271 PolarHBondContact O-N 2.68Å; V262-Q273 HydrophobicContact CG1-CB 4.3Å; V262-Q273 HydrophobicContact CG2-CB 3.97Å; V262-F391 HydrophobicContact CG2-CD1 4.1Å; V262-F391 HydrophobicContact CG2-CE1 3.9Å
263	A	96.3	Very high	95.7	Very high	75 Å²	75	70.6 Å²	70.6	62%	0.62	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.5	175.3	0	0	0	0	0	110.8
264	D	95.7	Very high	95.8	Very high	23 Å²	23	67.6 Å²	67.6	12%	0.123	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	103	170	-168.7	-43.1	0	0	0	110	S266 R267 F268 T269 V271 W348	D264-S266 PolarHBondContact O-N 2.99Å; D264-S266 WeakPolarHBondContact OD1-CA 3.49Å; D264-S266 VanDerWaalsContact OD1-CB 3.31Å; D264-S266 WeakPolarHBondContact OD1-CB 3.21Å; D264-S266 PolarHBondContact OD1-N 3.02Å; D264-S266 PolarHBondContact OD1-OG 3.39Å; D264-R267 PolarHBondContact O-N 2.98Å; D264-R267 VanDerWaalsContact O-N 3.14Å; D264-R267 PolarHBondContact OD1-N 3.5Å; D264-F268 PolarHBondContact O-N 3.5Å; D264-T269 PolarHBondContact N-O 2.81Å; D264-V271 HydrophobicContact CB-CG1 3.97Å; D264-V271 HydrophobicContact CB-CG2 3.99Å; D264-W348 WeakPolarHBondContact OD2-CZ2 3.32Å; D264-W348 PolarHBondContact OD2-NE1 2.83Å
265	K	95.1	Very high	95.9	Very high	188 Å²	188	68.9 Å²	68.9	82%	0.817	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.6	-179.5	-66.5	-179.3	178.5	179.9	0	113.7	R267	K265-R267 VanDerWaalsContact C-N 3.32Å
266	S	94.2	Very high	96	Very high	78 Å²	78	58.5 Å²	58.5	55%	0.545	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22	180	72.9	0	0	0	0	113	D264	D264-S266 PolarHBondContact O-N 2.99Å; D264-S266 WeakPolarHBondContact OD1-CA 3.49Å; D264-S266 VanDerWaalsContact OD1-CB 3.31Å; D264-S266 WeakPolarHBondContact OD1-CB 3.21Å; D264-S266 PolarHBondContact OD1-N 3.02Å; D264-S266 PolarHBondContact OD1-OG 3.39Å
267	R	92.4	Very high	96.1	Very high	113 Å²	113	58.5 Å²	58.5	43%	0.426	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-8.1	-179.9	-69.7	-74.7	-73.3	176.3	-6.3	113.3	D264 K265 T269 D298 W348	D264-R267 PolarHBondContact O-N 2.98Å; D264-R267 VanDerWaalsContact O-N 3.14Å; D264-R267 PolarHBondContact OD1-N 3.5Å; K265-R267 VanDerWaalsContact C-N 3.32Å; R267-T269 HydrophobicContact CB-CG2 3.76Å; R267-T269 PolarHBondContact O-N 2.72Å; R267-D298 IonicContact NH2-OD2 2.79Å; R267-D298 PolarHBondContact NH2-OD2 2.89Å; R267-W348 HydrophobicContact CG-CD2 4.33Å; R267-W348 HydrophobicContact CG-CG 4.08Å
268	F	94	Very high	95.9	Very high	192 Å²	192	63.4 Å²	63.4	84%	0.842	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	37.3	-176.8	-55	-85.1	0	0	0	112.9	D264	D264-F268 PolarHBondContact O-N 3.5Å
269	T	94.6	Very high	95.8	Very high	34 Å²	34	65.1 Å²	65.1	21%	0.209	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.4	-178.4	-166	0	0	0	0	110.4	E240 D264 R267 V271 D393	E240-T269 PolarHBondContact OE1-OG1 3.03Å; D264-T269 PolarHBondContact N-O 2.81Å; R267-T269 HydrophobicContact CB-CG2 3.76Å; R267-T269 PolarHBondContact O-N 2.72Å; T269-V271 HydrophobicContact CG2-CG1 3.83Å; T269-D393 WeakPolarHBondContact CG2-OD2 3.34Å
270	N	95.1	Very high	95.8	Very high	47 Å²	47	65 Å²	65	25%	0.251	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	148.4	163.5	-66.5	-50	0	0	0	109.7	A239 E240 V262	A239-N270 HydrophobicContact CB-CB 4.12Å; A239-N270 WeakPolarHBondContact O-CB 3.41Å; E240-N270 VanDerWaalsContact OE1-CB 3.28Å; E240-N270 WeakPolarHBondContact OE1-CB 3.34Å; E240-N270 PolarHBondContact OE1-N 3.27Å; E240-N270 PolarHBondContact OE1-ND2 2.96Å; E240-N270 PolarHBondContact OE2-ND2 3.44Å; V262-N270 CarbonylContact O-C 3.58Å; V262-N270 WeakPolarHBondContact O-CA 3.35Å
271	V	96.6	Very high	95.8	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.2	-179.7	-58.2	0	0	0	0	110.7	N261 V262 D264 T269 Q273 W348 F391 D393	N261-V271 WeakPolarHBondContact CA-O 3.23Å; V262-V271 HydrophobicContact CG2-CG2 3.72Å; V262-V271 PolarHBondContact N-O 2.87Å; V262-V271 WeakPolarHBondContact O-CG2 3.49Å; V262-V271 PolarHBondContact O-N 2.68Å; D264-V271 HydrophobicContact CB-CG1 3.97Å; D264-V271 HydrophobicContact CB-CG2 3.99Å; T269-V271 HydrophobicContact CG2-CG1 3.83Å; V271-Q273 PolarHBondContact O-N 3.12Å; V271-W348 HydrophobicContact CB-CH2 4.1Å; V271-W348 HydrophobicContact CB-CZ2 4.3Å; V271-W348 HydrophobicContact CG1-CH2 3.8Å; V271-W348 HydrophobicContact CG1-CZ2 3.83Å; V271-W348 HydrophobicContact CG2-CH2 4.49Å; V271-W348 HydrophobicContact CG2-CZ2 4.3Å; V271-F391 HydrophobicContact CG2-CB 4.2Å; V271-F391 HydrophobicContact CG2-CD1 3.8Å; V271-F391 HydrophobicContact CG2-CG 4.29Å; V271-D393 HydrophobicContact CB-CB 4.36Å; V271-D393 HydrophobicContact CG1-CB 4.01Å
272	K	96.4	Very high	96	Very high	7 Å²	7	67.7 Å²	67.7	3%	0.03	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	104.2	177.6	-154.2	70.5	162.6	-146.6	0	110.8	E237 W251 M259 N261 F391 L392	E237-K272 VanDerWaalsContact OE2-CE 3.31Å; E237-K272 WeakPolarHBondContact OE2-CE 3.3Å; E237-K272 IonicContact OE2-NZ 2.83Å; E237-K272 PolarHBondContact OE2-NZ 2.92Å; W251-K272 HydrophobicContact CZ2-CG 4.41Å; M259-K272 HydrophobicContact CE-CD 4.11Å; M259-K272 HydrophobicContact CE-CG 3.33Å; N261-K272 WeakPolarHBondContact OD1-CD 3.34Å; N261-K272 WeakPolarHBondContact OD1-CE 3.42Å; N261-K272 PolarHBondContact OD1-NZ 3.25Å; K272-F391 CarbonylContact O-C 3.46Å; K272-F391 VanDerWaalsContact O-CA 3.28Å; K272-F391 WeakPolarHBondContact O-CA 3.43Å; K272-L392 WeakPolarHBondContact CA-O 3.24Å; K272-L392 HydrophobicContact CB-CB 4.46Å; K272-L392 VanDerWaalsContact CB-O 3.31Å; K272-L392 WeakPolarHBondContact CB-O 3.25Å; K272-L392 PolarHBondContact N-O 2.82Å; K272-L392 PolarHBondContact O-N 2.91Å
273	Q	98.2	Very high	96.1	Very high	47 Å²	47	65.6 Å²	65.6	22%	0.22	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	135.6	170.6	-172.3	176.1	34.5	0	0	110	M259 A260 V262 V271 G390 F391	M259-Q273 VanDerWaalsContact CA-O 3.26Å; M259-Q273 WeakPolarHBondContact CA-O 3.17Å; A260-Q273 PolarHBondContact N-O 2.95Å; A260-Q273 VanDerWaalsContact N-O 3.1Å; A260-Q273 PolarHBondContact O-N 3.36Å; V262-Q273 HydrophobicContact CG1-CB 4.3Å; V262-Q273 HydrophobicContact CG2-CB 3.97Å; V271-Q273 PolarHBondContact O-N 3.12Å; Q273-G390 WeakPolarHBondContact CA-O 3.49Å; Q273-F391 HydrophobicContact CB-CD1 3.84Å; Q273-F391 HydrophobicContact CB-CE1 3.85Å; Q273-F391 HydrophobicContact CG-CD1 4Å; Q273-F391 HydrophobicContact CG-CE1 3.67Å; Q273-F391 HydrophobicContact CG-CZ 4.49Å
274	F	98.3	Very high	96.1	Very high	1 Å²	1	62.8 Å²	62.8	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.1	173.1	67.2	-88.2	0	0	0	112.1	F258 M259 V283 F301 A386 K389 G390 L392	F258-F274 WeakPolarHBondContact O-CA 3.21Å; M259-F274 HydrophobicContact CE-CB 4.46Å; M259-F274 HydrophobicContact CG-CB 4.4Å; F274-V283 HydrophobicContact CB-CG2 3.84Å; F274-V283 HydrophobicContact CG-CG2 4.49Å; F274-F301 HydrophobicContact CE2-CD1 4.49Å; F274-F301 HydrophobicContact CE2-CE1 4.11Å; F274-F301 AromaticContact CZ-CD1 3.92Å; F274-F301 HydrophobicContact CZ-CD1 3.92Å; F274-F301 AromaticContact CZ-CE1 3.63Å; F274-F301 HydrophobicContact CZ-CE1 3.63Å; F274-A386 HydrophobicContact CD1-CB 4.41Å; F274-A386 HydrophobicContact CD2-CB 3.97Å; F274-A386 HydrophobicContact CE2-CB 4.07Å; F274-A386 HydrophobicContact CG-CB 4.15Å; F274-A386 HydrophobicContact CZ-CB 4.34Å; F274-K389 WeakPolarHBondContact O-CA 3.39Å; F274-G390 WeakPolarHBondContact CD1-O 3.41Å; F274-G390 PolarHBondContact N-O 3.31Å; F274-G390 PolarHBondContact O-N 3.14Å; F274-G390 VanDerWaalsContact O-N 3.09Å; F274-L392 HydrophobicContact CD1-CD1 4.17Å; F274-L392 HydrophobicContact CD1-CG 4.18Å; F274-L392 HydrophobicContact CE1-CD1 4.14Å; F274-L392 HydrophobicContact CE1-CG 3.88Å
275	I	98.6	Very high	96.2	Very high	57 Å²	57	62 Å²	62	29%	0.292	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	112.3	171.5	-59.8	174.8	0	0	0	107.2	C257 F258 K389	C257-I275 CarbonylContact C-O 3.56Å; C257-I275 WeakPolarHBondContact CA-O 3.44Å; F258-I275 HydrophobicContact CB-CB 4.26Å; F258-I275 HydrophobicContact CD1-CD1 4.29Å; F258-I275 PolarHBondContact N-O 3.18Å; F258-I275 PolarHBondContact O-N 3.02Å; I275-K389 HydrophobicContact CB-CG 4.45Å; I275-K389 HydrophobicContact CG1-CG 4.3Å; I275-K389 HydrophobicContact CG2-CD 4.35Å; I275-K389 HydrophobicContact CG2-CG 4.06Å
276	A	98.3	Very high	96.3	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	120.3	176.8	0	0	0	0	0	110.3	C257 V283 G388	C257-A276 HydrophobicContact CB-CB 4.19Å; A276-V283 HydrophobicContact CB-CG1 4.33Å; A276-G388 PolarHBondContact N-O 2.78Å; A276-G388 WeakPolarHBondContact O-CA 3.38Å; A276-G388 PolarHBondContact O-N 3.21Å
277	P	97.1	Very high	96.4	Very high	61 Å²	61	53.8 Å²	53.8	40%	0.396	27%	0.27	S	S	.	.			trans	-56	143.4	176	-24	33.6	0	0	0	111.8	T279 S280	P277-T279 PolarHBondContact O-N 2.79Å; P277-S280 WeakPolarHBondContact O-CB 3.4Å; P277-S280 PolarHBondContact O-N 2.81Å; P277-S280 PolarHBondContact O-OG 3.33Å
278	E	93.9	Very high	96.5	Very high	123 Å²	123	49.6 Å²	49.6	58%	0.575	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.3	-179.5	-66.6	-176.1	-145.9	0	0	113	S280 K387	E278-S280 VanDerWaalsContact C-N 3.27Å; E278-S280 PolarHBondContact O-N 2.88Å; E278-K387 PolarHBondContact O-NZ 3.15Å
279	T	94.9	Very high	96.7	Very high	143 Å²	143	41 Å²	41	88%	0.877	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-9	175.8	54.2	0	0	0	0	114.1	P277	P277-T279 PolarHBondContact O-N 2.79Å
280	S	96.1	Very high	96.8	Very high	27 Å²	27	43.3 Å²	43.3	19%	0.189	24%	0.24	C	C	.	.	S	Bend	trans	-85.7	173.9	175.6	76.1	0	0	0	0	111.8	P277 E278 G282 K387	P277-S280 WeakPolarHBondContact O-CB 3.4Å; P277-S280 PolarHBondContact O-N 2.81Å; P277-S280 PolarHBondContact O-OG 3.33Å; E278-S280 VanDerWaalsContact C-N 3.27Å; E278-S280 PolarHBondContact O-N 2.88Å; S280-G282 PolarHBondContact O-N 2.87Å; S280-G282 PolarHBondContact OG-N 3.17Å; S280-K387 VanDerWaalsContact O-CE 3.23Å; S280-K387 WeakPolarHBondContact O-CE 3.33Å; S280-K387 PolarHBondContact O-NZ 3.38Å
281	E	95.8	Very high	96.9	Very high	157 Å²	157	49 Å²	49	73%	0.734	26%	0.262	S	S	*	.			trans	-64.3	-26.2	171.9	-66.4	-178.8	-172.3	0	0	112.5	P254 I385 K387	P254-E281 HydrophobicContact CG-CB 4.26Å; E281-I385 WeakPolarHBondContact O-CG2 3.41Å; E281-K387 WeakPolarHBondContact O-CE 3.46Å
282	G	97.8	Very high	97	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.031	27%	0.265	C	S	.	.			trans	90.3	162.9	-172.9	0	0	0	0	0	112.7	P254 S280 A386	P254-G282 VanDerWaalsContact CD-O 3.32Å; P254-G282 WeakPolarHBondContact CD-O 3.27Å; P254-G282 WeakPolarHBondContact CG-O 3.34Å; S280-G282 PolarHBondContact O-N 2.87Å; S280-G282 PolarHBondContact OG-N 3.17Å; G282-A386 WeakPolarHBondContact CA-O 3.31Å
283	V	98	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.6	170.1	-61.5	0	0	0	0	108.8	W251 T252 V253 C257 M259 F274 A276 I385 A386	W251-V283 HydrophobicContact CE3-CB 4.36Å; W251-V283 HydrophobicContact CE3-CG2 4.4Å; W251-V283 HydrophobicContact CZ3-CB 4.41Å; W251-V283 HydrophobicContact CZ3-CG2 4.01Å; T252-V283 WeakPolarHBondContact O-CA 3.46Å; V253-V283 HydrophobicContact CG1-CG1 4.11Å; V253-V283 HydrophobicContact CG2-CG1 4.42Å; C257-V283 HydrophobicContact CB-CG1 3.67Å; M259-V283 HydrophobicContact CE-CG2 4.19Å; M259-V283 HydrophobicContact CG-CB 3.99Å; M259-V283 HydrophobicContact CG-CG1 3.66Å; M259-V283 HydrophobicContact CG-CG2 4.12Å; M259-V283 HydrophobicContact SD-CB 3.56Å; M259-V283 VanDerWaalsContact SD-CB 3.56Å; M259-V283 HydrophobicContact SD-CG1 3.92Å; M259-V283 HydrophobicContact SD-CG2 3.74Å; F274-V283 HydrophobicContact CB-CG2 3.84Å; F274-V283 HydrophobicContact CG-CG2 4.49Å; A276-V283 HydrophobicContact CB-CG1 4.33Å; V283-I385 CarbonylContact O-C 3.5Å; V283-I385 WeakPolarHBondContact O-CA 3.46Å; V283-A386 HydrophobicContact CG2-CB 3.85Å; V283-A386 PolarHBondContact N-O 2.84Å; V283-A386 PolarHBondContact O-N 2.68Å
284	S	98.1	Very high	97.1	Very high	16 Å²	16	49.4 Å²	49.4	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.5	-172	-169.2	0	0	0	0	113.6	W251 T252 R383 L384	W251-S284 CarbonylContact C-O 3.46Å; W251-S284 VanDerWaalsContact CA-O 3.27Å; W251-S284 WeakPolarHBondContact CA-O 3.18Å; T252-S284 PolarHBondContact N-O 2.91Å; T252-S284 PolarHBondContact O-N 3.48Å; S284-R383 WeakPolarHBondContact OG-CD 3.33Å; S284-L384 CarbonylContact C-O 3.58Å; S284-L384 WeakPolarHBondContact CA-O 3.3Å; S284-L384 WeakPolarHBondContact CB-O 3.45Å; S284-L384 PolarHBondContact OG-O 2.82Å
285	L	97.2	Very high	97.1	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.3	175.5	177.6	60.5	0	0	0	110	E237 D250 W251 L287 R383 L384 I395	E237-L285 HydrophobicContact CB-CD2 4.24Å; D250-L285 HydrophobicContact CB-CD1 4.11Å; W251-L285 HydrophobicContact CD2-CB 3.83Å; W251-L285 HydrophobicContact CD2-CD1 4.19Å; W251-L285 HydrophobicContact CD2-CG 4.5Å; W251-L285 HydrophobicContact CE3-CB 3.78Å; W251-L285 HydrophobicContact CG-CD1 4.25Å; W251-L285 HydrophobicContact CH2-CB 3.71Å; W251-L285 HydrophobicContact CH2-CD2 4.39Å; W251-L285 HydrophobicContact CZ2-CB 3.75Å; W251-L285 HydrophobicContact CZ2-CD2 3.81Å; W251-L285 HydrophobicContact CZ2-CG 4.25Å; W251-L285 HydrophobicContact CZ3-CB 3.72Å; L285-L287 HydrophobicContact CD2-CD2 4.05Å; L285-L287 HydrophobicContact CG-CD2 4.11Å; L285-R383 CarbonylContact O-C 3.49Å; L285-R383 WeakPolarHBondContact O-CA 3.28Å; L285-R383 WeakPolarHBondContact O-CB 3.36Å; L285-L384 PolarHBondContact N-O 3.26Å; L285-L384 PolarHBondContact O-N 2.8Å; L285-I395 HydrophobicContact CD2-CD1 3.76Å; L285-I395 HydrophobicContact CD2-CG2 4.31Å
286	Q	97.2	Very high	97.2	Very high	76 Å²	76	47.4 Å²	47.4	36%	0.355	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.3	173.7	-169.3	58.8	35.5	0	0	110.4	D250 V382	D250-Q286 HydrophobicContact CB-CB 4.1Å; D250-Q286 PolarHBondContact O-N 3.45Å; D250-Q286 VanDerWaalsContact O-N 3.15Å; Q286-V382 PolarHBondContact NE2-O 3.33Å
287	L	95.6	Very high	97.2	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-69.3	-177.2	-60.1	170.4	0	0	0	110.1	Y236 L285 I295 V381 V382 L384 I395 I397	Y236-L287 HydrophobicContact CD1-CB 4.38Å; Y236-L287 HydrophobicContact CD1-CD2 3.4Å; Y236-L287 VanDerWaalsContact CD1-CD2 3.4Å; Y236-L287 HydrophobicContact CD1-CG 4.48Å; Y236-L287 HydrophobicContact CD2-CD2 3.88Å; Y236-L287 HydrophobicContact CE1-CB 3.96Å; Y236-L287 HydrophobicContact CE1-CD2 3.81Å; Y236-L287 WeakPolarHBondContact CE1-O 3.4Å; Y236-L287 HydrophobicContact CE2-CD2 4.26Å; Y236-L287 HydrophobicContact CG-CD2 3.42Å; Y236-L287 VanDerWaalsContact CG-CD2 3.42Å; L285-L287 HydrophobicContact CD2-CD2 4.05Å; L285-L287 HydrophobicContact CG-CD2 4.11Å; L287-I295 HydrophobicContact CD1-CD1 4.3Å; L287-V381 HydrophobicContact CB-CG1 4.5Å; L287-V381 HydrophobicContact CD1-CG1 3.77Å; L287-V382 PolarHBondContact N-O 3.44Å; L287-L384 HydrophobicContact CD1-CB 3.93Å; L287-I395 HydrophobicContact CD2-CG2 4.49Å; L287-I397 HydrophobicContact CB-CD1 4.29Å; L287-I397 HydrophobicContact CD1-CD1 4.19Å
288	G	95.2	Very high	97.3	Very high	26 Å²	26	44.9 Å²	44.9	27%	0.268	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.9	10.3	174.2	0	0	0	0	0	116.1	V381 V382	G288-V381 CarbonylContact C-O 3.6Å; G288-V381 VanDerWaalsContact CA-O 3.26Å; G288-V381 WeakPolarHBondContact CA-O 3.41Å; G288-V381 PolarHBondContact N-O 3.4Å; G288-V382 PolarHBondContact N-O 2.97Å
289	N	97.1	Very high	97.5	Very high	10 Å²	10	39 Å²	39	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.7	177.9	-160.7	-62	0	0	0	111.6	E234 Y236 K291 D292 K380 V381 I397	E234-N289 PolarHBondContact OE2-ND2 3.33Å; Y236-N289 WeakPolarHBondContact OH-CB 3.45Å; N289-K291 PolarHBondContact OD1-N 3.11Å; N289-D292 PolarHBondContact OD1-N 3.22Å; N289-D292 PolarHBondContact OD1-O 3.36Å; N289-K380 CarbonylContact O-C 3.55Å; N289-K380 WeakPolarHBondContact O-CA 3.48Å; N289-K380 WeakPolarHBondContact O-CG 3.43Å; N289-V381 HydrophobicContact CB-CB 4.35Å; N289-V381 PolarHBondContact N-O 2.87Å; N289-V381 PolarHBondContact O-N 3.4Å; N289-I397 HydrophobicContact CB-CD1 3.69Å; N289-I397 HydrophobicContact CB-CG2 4.37Å
290	T	97.7	Very high	97.7	Very high	83 Å²	83	34.7 Å²	34.7	51%	0.509	18%	0.18	S	C	.	.	S	Bend	trans	-120.9	-1.6	-179.9	51.4	0	0	0	0	114.1	K379 K380	T290-K379 WeakPolarHBondContact CA-O 3.31Å; T290-K380 HydrophobicContact CG2-CB 4.05Å; T290-K380 HydrophobicContact CG2-CD 4.06Å; T290-K380 HydrophobicContact CG2-CG 3.78Å
291	K	97	Very high	97.8	Very high	166 Å²	166	33.5 Å²	33.5	72%	0.722	17%	0.172	S	C	*	.	S	Bend	trans	-114.3	-39.4	-170.7	-63.9	-177.4	-179.2	177.7	0	112.2	N289 F293	N289-K291 PolarHBondContact OD1-N 3.11Å; K291-F293 WeakPolarHBondContact O-CE2 3.5Å
292	D	98.3	Very high	97.9	Very high	11 Å²	11	30.8 Å²	30.8	6%	0.059	16%	0.162	C	C	.	.			trans	-120	144	-167.5	-59.1	-62.4	0	0	0	110.2	H232 N289 I397 T399	H232-D292 IonicContact CD2-OD2 3.26Å; H232-D292 PolarHBondContact CD2-OD2 3.45Å; H232-D292 VanDerWaalsContact CD2-OD2 3.26Å; N289-D292 PolarHBondContact OD1-N 3.22Å; N289-D292 PolarHBondContact OD1-O 3.36Å; D292-I397 HydrophobicContact CB-CG2 3.69Å; D292-I397 VanDerWaalsContact O-CG2 3.24Å; D292-I397 WeakPolarHBondContact O-CG2 3.45Å; D292-T399 WeakPolarHBondContact OD1-CA 3.47Å; D292-T399 VanDerWaalsContact OD1-CB 3.22Å; D292-T399 WeakPolarHBondContact OD1-CB 3.28Å; D292-T399 PolarHBondContact OD1-N 3.06Å; D292-T399 PolarHBondContact OD1-OG1 3.2Å
293	F	98.6	Very high	97.9	Very high	33 Å²	33	33.7 Å²	33.7	15%	0.145	18%	0.179	C	C	.	.			trans	-138.2	12	-166.9	-60.5	-73.6	0	0	0	114	K291 L355 V356 P378 V381	K291-F293 WeakPolarHBondContact O-CE2 3.5Å; F293-L355 HydrophobicContact CB-CB 4.36Å; F293-L355 VanDerWaalsContact O-CB 3.26Å; F293-L355 WeakPolarHBondContact O-CB 3.45Å; F293-L355 WeakPolarHBondContact O-CG 3.15Å; F293-L355 PolarHBondContact O-N 3.23Å; F293-V356 HydrophobicContact CB-CG2 3.8Å; F293-V356 HydrophobicContact CD2-CG2 4.2Å; F293-V356 HydrophobicContact CG-CG2 4.08Å; F293-P378 HydrophobicContact CD1-CB 3.79Å; F293-P378 HydrophobicContact CD1-CG 3.61Å; F293-P378 HydrophobicContact CD2-CG 4.42Å; F293-P378 HydrophobicContact CE1-CB 3.71Å; F293-P378 HydrophobicContact CE1-CG 3.85Å; F293-P378 HydrophobicContact CG-CG 3.93Å; F293-P378 HydrophobicContact CZ-CB 4.45Å; F293-P378 HydrophobicContact CZ-CG 4.35Å; F293-P378 WeakPolarHBondContact CZ-O 3.3Å; F293-V381 HydrophobicContact CD1-CG2 3.73Å; F293-V381 HydrophobicContact CE1-CG2 4.13Å
294	I	98.9	Very high	97.9	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.108	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	104.3	169.6	-48.9	-56.2	0	0	0	108.6	T352 R353 D354 I397 S398 T399 A401	I294-T352 HydrophobicContact CG2-CG2 3.73Å; I294-R353 CarbonylContact C-O 3.56Å; I294-R353 WeakPolarHBondContact CA-O 3.32Å; I294-D354 HydrophobicContact CD1-CB 3.51Å; I294-I397 CarbonylContact O-C 3.44Å; I294-I397 VanDerWaalsContact O-CA 3.29Å; I294-I397 WeakPolarHBondContact O-CA 3.37Å; I294-S398 VanDerWaalsContact CB-O 3.25Å; I294-S398 WeakPolarHBondContact CB-O 3.31Å; I294-S398 WeakPolarHBondContact CG1-O 3.45Å; I294-S398 PolarHBondContact N-O 3.33Å; I294-S398 PolarHBondContact O-N 3.14Å; I294-T399 WeakPolarHBondContact CG1-O 3.27Å; I294-A401 HydrophobicContact CG2-CB 3.66Å
295	I	98.9	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.7	176.8	-165	171.1	0	0	0	110.1	L287 F297 V309 T352 R353 L355 L384 T396 I397	L287-I295 HydrophobicContact CD1-CD1 4.3Å; I295-F297 HydrophobicContact CD1-CD1 4.46Å; I295-F297 HydrophobicContact CG1-CD1 4.23Å; I295-F297 HydrophobicContact CG1-CE1 4.48Å; I295-V309 HydrophobicContact CD1-CG1 4.37Å; I295-V309 HydrophobicContact CD1-CG2 3.69Å; I295-V309 HydrophobicContact CG2-CG2 4.47Å; I295-T352 CarbonylContact O-C 3.56Å; I295-T352 WeakPolarHBondContact O-CA 3.35Å; I295-R353 HydrophobicContact CG2-CB 4.02Å; I295-R353 PolarHBondContact N-O 3.25Å; I295-R353 PolarHBondContact O-N 3.14Å; I295-L355 HydrophobicContact CB-CD1 4.01Å; I295-L355 HydrophobicContact CB-CG 4.42Å; I295-L355 HydrophobicContact CG2-CD1 4.03Å; I295-L355 HydrophobicContact CG2-CD2 3.87Å; I295-L355 HydrophobicContact CG2-CG 3.94Å; I295-L384 HydrophobicContact CD1-CD1 3.97Å; I295-T396 WeakPolarHBondContact CA-O 3.45Å; I295-I397 HydrophobicContact CG1-CG1 4.27Å
296	S	98.9	Very high	98	Very high	16 Å²	16	38.7 Å²	38.7	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.5	173.2	-164.1	0	0	0	0	111.5	T350 V351 T352 I395 T396	S296-T350 WeakPolarHBondContact OG-CG2 3.18Å; S296-V351 CarbonylContact C-O 3.5Å; S296-V351 VanDerWaalsContact CA-O 3.22Å; S296-V351 WeakPolarHBondContact CA-O 3.37Å; S296-V351 PolarHBondContact OG-O 3.41Å; S296-T352 PolarHBondContact OG-OG1 3.06Å; S296-I395 WeakPolarHBondContact O-CA 3.45Å; S296-T396 WeakPolarHBondContact CB-OG1 3.32Å; S296-T396 PolarHBondContact N-O 3.31Å; S296-T396 PolarHBondContact O-N 3.19Å; S296-T396 PolarHBondContact O-OG1 3.44Å
297	F	98.7	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	143.1	175.7	47.9	-92.8	0	0	0	110.7	I295 L299 V307 Y324 V351 L384 L392 I395	I295-F297 HydrophobicContact CD1-CD1 4.46Å; I295-F297 HydrophobicContact CG1-CD1 4.23Å; I295-F297 HydrophobicContact CG1-CE1 4.48Å; F297-L299 HydrophobicContact CD2-CB 4.06Å; F297-L299 HydrophobicContact CE2-CB 4.26Å; F297-L299 HydrophobicContact CE2-CD2 4.1Å; F297-V307 HydrophobicContact CE1-CG1 3.96Å; F297-V307 HydrophobicContact CE2-CB 4.1Å; F297-V307 HydrophobicContact CE2-CG1 3.97Å; F297-V307 HydrophobicContact CE2-CG2 4.04Å; F297-V307 HydrophobicContact CZ-CB 3.96Å; F297-V307 HydrophobicContact CZ-CG1 3.59Å; F297-V307 HydrophobicContact CZ-CG2 4.4Å; F297-Y324 HydrophobicContact CZ-CD2 4.49Å; F297-V351 HydrophobicContact CD2-CB 4.1Å; F297-V351 HydrophobicContact CE1-CG1 4.48Å; F297-V351 HydrophobicContact CE2-CB 3.66Å; F297-V351 HydrophobicContact CE2-CG1 3.97Å; F297-V351 HydrophobicContact CE2-CG2 4.09Å; F297-V351 HydrophobicContact CZ-CB 3.97Å; F297-V351 HydrophobicContact CZ-CG1 3.79Å; F297-V351 PolarHBondContact N-O 3.13Å; F297-V351 PolarHBondContact O-N 3.47Å; F297-L384 HydrophobicContact CD1-CD1 4.14Å; F297-L384 HydrophobicContact CE1-CD1 4.35Å; F297-L392 HydrophobicContact CB-CD2 4.3Å; F297-L392 HydrophobicContact CD2-CD2 3.78Å; F297-L392 HydrophobicContact CG-CD2 4.27Å; F297-I395 HydrophobicContact CB-CG1 4.07Å
298	D	98.7	Very high	98.2	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	130.7	167.9	-74.5	-24.9	0	0	0	109.1	R267 W348 T350 L392 D393 N394	R267-D298 IonicContact NH2-OD2 2.79Å; R267-D298 PolarHBondContact NH2-OD2 2.89Å; D298-W348 HydrophobicContact CB-CE3 4.15Å; D298-W348 HydrophobicContact CB-CZ3 3.98Å; D298-T350 WeakPolarHBondContact OD1-CA 3.46Å; D298-T350 VanDerWaalsContact OD1-CB 3.32Å; D298-T350 WeakPolarHBondContact OD1-CB 3.45Å; D298-T350 PolarHBondContact OD1-OG1 3Å; D298-L392 WeakPolarHBondContact O-CA 3.32Å; D298-D393 HydrophobicContact CB-CB 4.09Å; D298-D393 PolarHBondContact N-O 2.99Å; D298-D393 PolarHBondContact O-N 3.28Å; D298-N394 PolarHBondContact OD2-ND2 3.43Å
299	L	98.7	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138	-173.5	177.3	65.2	0	0	0	111.6	F297 F301 V307 I342 R345 S349 V351 L392	F297-L299 HydrophobicContact CD2-CB 4.06Å; F297-L299 HydrophobicContact CE2-CB 4.26Å; F297-L299 HydrophobicContact CE2-CD2 4.1Å; L299-F301 HydrophobicContact CD1-CD1 4.41Å; L299-F301 HydrophobicContact CD1-CD2 4.36Å; L299-F301 HydrophobicContact CD1-CE1 4.19Å; L299-F301 HydrophobicContact CD1-CE2 4.14Å; L299-F301 HydrophobicContact CD1-CG 4.47Å; L299-F301 HydrophobicContact CD1-CZ 4.03Å; L299-F301 HydrophobicContact CD2-CD2 4.05Å; L299-F301 HydrophobicContact CD2-CE2 3.6Å; L299-F301 HydrophobicContact CD2-CZ 4.11Å; L299-F301 HydrophobicContact CG-CD2 4.33Å; L299-F301 HydrophobicContact CG-CE2 4.23Å; L299-V307 HydrophobicContact CD1-CG2 4.08Å; L299-V307 HydrophobicContact CD2-CG2 4.27Å; L299-I342 HydrophobicContact CD2-CD1 3.7Å; L299-R345 HydrophobicContact CD2-CB 4.14Å; L299-R345 HydrophobicContact CD2-CG 4.19Å; L299-R345 HydrophobicContact CG-CB 4.39Å; L299-S349 PolarHBondContact N-O 3.41Å; L299-S349 PolarHBondContact O-N 2.86Å; L299-V351 HydrophobicContact CB-CG2 4.34Å; L299-V351 HydrophobicContact CD2-CG2 4.25Å; L299-L392 HydrophobicContact CB-CD2 4.47Å; L299-L392 HydrophobicContact CD1-CD2 3.83Å; L299-L392 HydrophobicContact CD1-CG 4.42Å
300	K	98.7	Very high	98.5	Very high	52 Å²	52	32.9 Å²	32.9	23%	0.226	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	114.9	165.3	-178.6	179.1	176.5	-177	0	110.6	R345 T346 W348 G390 F391	K300-R345 CarbonylContact C-O 3.57Å; K300-R345 WeakPolarHBondContact CA-O 3.46Å; K300-T346 WeakPolarHBondContact CE-O 3.47Å; K300-T346 WeakPolarHBondContact CG-O 3.43Å; K300-W348 HydrophobicContact CB-CD2 3.68Å; K300-W348 HydrophobicContact CB-CE3 3.78Å; K300-W348 HydrophobicContact CB-CG 4.21Å; K300-W348 HydrophobicContact CB-CH2 4.32Å; K300-W348 HydrophobicContact CB-CZ2 4.21Å; K300-W348 HydrophobicContact CB-CZ3 4.1Å; K300-W348 HydrophobicContact CD-CD2 4.12Å; K300-W348 HydrophobicContact CD-CG 4.07Å; K300-W348 HydrophobicContact CD-CZ2 4.48Å; K300-G390 CarbonylContact O-C 3.52Å; K300-G390 WeakPolarHBondContact O-CA 3.5Å; K300-F391 HydrophobicContact CB-CD2 4.39Å; K300-F391 HydrophobicContact CD-CD2 4.34Å; K300-F391 HydrophobicContact CG-CD2 4.44Å; K300-F391 PolarHBondContact N-O 3.38Å; K300-F391 VanDerWaalsContact N-O 3.1Å; K300-F391 PolarHBondContact O-N 2.74Å
301	F	98.6	Very high	98.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.2	173.5	-79.1	-56.2	0	0	0	111.9	F274 L299 T303 V307 R345 T346	F274-F301 HydrophobicContact CE2-CD1 4.49Å; F274-F301 HydrophobicContact CE2-CE1 4.11Å; F274-F301 AromaticContact CZ-CD1 3.92Å; F274-F301 HydrophobicContact CZ-CD1 3.92Å; F274-F301 AromaticContact CZ-CE1 3.63Å; F274-F301 HydrophobicContact CZ-CE1 3.63Å; L299-F301 HydrophobicContact CD1-CD1 4.41Å; L299-F301 HydrophobicContact CD1-CD2 4.36Å; L299-F301 HydrophobicContact CD1-CE1 4.19Å; L299-F301 HydrophobicContact CD1-CE2 4.14Å; L299-F301 HydrophobicContact CD1-CG 4.47Å; L299-F301 HydrophobicContact CD1-CZ 4.03Å; L299-F301 HydrophobicContact CD2-CD2 4.05Å; L299-F301 HydrophobicContact CD2-CE2 3.6Å; L299-F301 HydrophobicContact CD2-CZ 4.11Å; L299-F301 HydrophobicContact CG-CD2 4.33Å; L299-F301 HydrophobicContact CG-CE2 4.23Å; F301-T303 WeakPolarHBondContact CB-O 3.31Å; F301-V307 HydrophobicContact CZ-CG2 4.19Å; F301-R345 HydrophobicContact CD2-CB 4.03Å; F301-R345 PolarHBondContact N-O 3.35Å; F301-T346 WeakPolarHBondContact O-CA 3.41Å
302	L	98.3	Very high	98.6	Very high	100 Å²	100	23.7 Å²	23.7	52%	0.524	13%	0.126	S	C	.	.	S	Bend	trans	-98	-29.3	167.5	-64.8	178.5	0	0	0	111.8	K389 F391	L302-K389 HydrophobicContact CB-CB 4.28Å; L302-K389 PolarHBondContact N-O 3.09Å; L302-F391 HydrophobicContact CD1-CE2 3.79Å; L302-F391 HydrophobicContact CD1-CZ 4.02Å; L302-F391 HydrophobicContact CD2-CE2 3.93Å; L302-F391 HydrophobicContact CG-CE2 3.85Å
303	T	97.9	Very high	98.5	Very high	64 Å²	64	23.1 Å²	23.1	39%	0.393	12%	0.124	S	C	.	.	S	Bend	trans	-133.1	173.6	175.3	64.2	0	0	0	0	109.3	F301 K389	F301-T303 WeakPolarHBondContact CB-O 3.31Å; T303-K389 HydrophobicContact CG2-CB 4.19Å; T303-K389 HydrophobicContact CG2-CD 4.11Å; T303-K389 HydrophobicContact CG2-CG 4.35Å; T303-K389 PolarHBondContact N-O 2.86Å; T303-K389 PolarHBondContact OG1-N 3.33Å; T303-K389 VanDerWaalsContact OG1-N 3.1Å
304	N	97.5	Very high	98.4	Very high	107 Å²	107	24.6 Å²	24.6	57%	0.572	14%	0.135	S	C	*	.	S	Bend	trans	-54.8	149.5	166.3	-69.4	-24	0	0	0	111.2	S326 G388	N304-S326 VanDerWaalsContact CA-OG 3.25Å; N304-S326 WeakPolarHBondContact CA-OG 3.46Å; N304-S326 PolarHBondContact OD1-OG 3.36Å; N304-G388 WeakPolarHBondContact O-CA 3.41Å
305	G	98	Very high	98.1	Very high	5 Å²	5	27.8 Å²	27.8	5%	0.052	15%	0.15	C	C	.	.			trans	-179.7	-173	-172.8	0	0	0	0	0	112.7	S326 K387	G305-S326 PolarHBondContact N-OG 2.88Å; G305-S326 PolarHBondContact O-N 2.81Å; G305-S326 PolarHBondContact O-OG 2.97Å; G305-K387 CarbonylContact C-O 3.5Å; G305-K387 WeakPolarHBondContact CA-O 3.45Å
306	S	98.7	Very high	97.8	Very high	15 Å²	15	35.9 Å²	35.9	11%	0.105	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	152.2	174.5	59.4	0	0	0	0	111.4	Y324 K387	S306-Y324 VanDerWaalsContact CA-O 3.25Å; S306-Y324 WeakPolarHBondContact CA-O 2.87Å; S306-Y324 WeakPolarHBondContact CB-O 3.2Å; S306-K387 PolarHBondContact N-O 3.09Å; S306-K387 PolarHBondContact O-N 2.95Å
307	V	98.9	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.2	162.8	178.8	0	0	0	0	106.7	F297 L299 F301 Y324 L384 I385 L392	F297-V307 HydrophobicContact CE1-CG1 3.96Å; F297-V307 HydrophobicContact CE2-CB 4.1Å; F297-V307 HydrophobicContact CE2-CG1 3.97Å; F297-V307 HydrophobicContact CE2-CG2 4.04Å; F297-V307 HydrophobicContact CZ-CB 3.96Å; F297-V307 HydrophobicContact CZ-CG1 3.59Å; F297-V307 HydrophobicContact CZ-CG2 4.4Å; L299-V307 HydrophobicContact CD1-CG2 4.08Å; L299-V307 HydrophobicContact CD2-CG2 4.27Å; F301-V307 HydrophobicContact CZ-CG2 4.19Å; V307-Y324 PolarHBondContact N-O 2.97Å; V307-Y324 WeakPolarHBondContact O-CA 3.42Å; V307-Y324 VanDerWaalsContact O-CB 3.3Å; V307-Y324 WeakPolarHBondContact O-CB 3.45Å; V307-Y324 WeakPolarHBondContact O-CD2 3.32Å; V307-Y324 PolarHBondContact O-N 3.12Å; V307-L384 HydrophobicContact CG1-CD1 3.64Å; V307-L384 HydrophobicContact CG1-CD2 4.01Å; V307-L384 HydrophobicContact CG1-CG 3.75Å; V307-I385 CarbonylContact C-O 3.44Å; V307-I385 WeakPolarHBondContact CA-O 3.44Å; V307-L392 HydrophobicContact CG2-CD2 4.27Å
308	S	98.9	Very high	97.1	Very high	3 Å²	3	42 Å²	42	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.9	-176.9	-48.6	0	0	0	0	110.8	I322 H323 L384 I385	S308-I322 CarbonylContact C-O 3.56Å; S308-I322 WeakPolarHBondContact CA-O 3.42Å; S308-H323 WeakPolarHBondContact CB-ND1 3.4Å; S308-H323 PolarHBondContact OG-ND1 3.22Å; S308-L384 CarbonylContact O-C 3.57Å; S308-L384 WeakPolarHBondContact O-CA 3.3Å; S308-I385 PolarHBondContact N-O 2.68Å; S308-I385 PolarHBondContact O-N 2.98Å
309	V	98.9	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.2	179.1	-175.6	0	0	0	0	109	I295 L311 T321 I322 Y324 L355 V381	I295-V309 HydrophobicContact CD1-CG1 4.37Å; I295-V309 HydrophobicContact CD1-CG2 3.69Å; I295-V309 HydrophobicContact CG2-CG2 4.47Å; V309-L311 HydrophobicContact CG1-CD2 3.85Å; V309-L311 HydrophobicContact CG1-CG 4.5Å; V309-T321 WeakPolarHBondContact O-CA 3.46Å; V309-I322 PolarHBondContact N-O 3.06Å; V309-I322 PolarHBondContact O-N 3.28Å; V309-Y324 HydrophobicContact CG2-CD2 4.48Å; V309-Y324 HydrophobicContact CG2-CE2 3.98Å; V309-L355 HydrophobicContact CB-CD2 4.15Å; V309-L355 HydrophobicContact CG1-CD1 4.07Å; V309-L355 HydrophobicContact CG1-CD2 3.99Å; V309-L355 HydrophobicContact CG2-CD2 4.35Å; V309-V381 HydrophobicContact CG1-CG1 3.68Å
310	V	98.8	Very high	97.1	Very high	4 Å²	4	46 Å²	46	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.4	178.3	-177.4	0	0	0	0	109.3	L319 T321 V382 R383 I385	V310-L319 HydrophobicContact CG1-CB 4.42Å; V310-L319 HydrophobicContact CG1-CD1 4.4Å; V310-L319 HydrophobicContact CG1-CD2 4.27Å; V310-T321 HydrophobicContact CG2-CG2 4.24Å; V310-V382 HydrophobicContact CB-CB 4.23Å; V310-V382 HydrophobicContact CG1-CB 4.17Å; V310-V382 HydrophobicContact CG1-CG2 4.41Å; V310-V382 WeakPolarHBondContact O-CB 3.49Å; V310-V382 PolarHBondContact O-N 3.48Å; V310-R383 HydrophobicContact CB-CG 4.03Å; V310-R383 HydrophobicContact CG2-CG 3.94Å; V310-R383 PolarHBondContact N-O 3.11Å; V310-I385 HydrophobicContact CG2-CD1 3.78Å
311	L	98.7	Very high	97.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132	-176.6	-56.4	179.2	0	0	0	110.7	V309 T313 L319 F320 I322 L355 L359 P378 K380 V381	V309-L311 HydrophobicContact CG1-CD2 3.85Å; V309-L311 HydrophobicContact CG1-CG 4.5Å; L311-T313 HydrophobicContact CB-CG2 4.47Å; L311-L319 CarbonylContact O-C 3.56Å; L311-L319 VanDerWaalsContact O-CA 3.28Å; L311-L319 WeakPolarHBondContact O-CA 3.37Å; L311-F320 PolarHBondContact N-O 2.95Å; L311-F320 PolarHBondContact O-N 3.17Å; L311-I322 HydrophobicContact CD1-CD1 3.61Å; L311-I322 HydrophobicContact CD1-CG1 4.07Å; L311-L355 HydrophobicContact CD1-CB 4.21Å; L311-L355 HydrophobicContact CD2-CB 4.42Å; L311-L355 HydrophobicContact CD2-CD1 4.01Å; L311-L359 HydrophobicContact CD1-CB 4.41Å; L311-P378 HydrophobicContact CD1-CB 4.39Å; L311-K380 WeakPolarHBondContact CA-O 3.28Å; L311-V381 HydrophobicContact CD2-CB 4.37Å; L311-V381 HydrophobicContact CD2-CG1 4.26Å; L311-V381 HydrophobicContact CD2-CG2 4.1Å
312	E	98.4	Very high	97.1	Very high	56 Å²	56	44.7 Å²	44.7	26%	0.262	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.6	161.5	-167.8	-176.2	162.8	0	0	109.1	L319 K379 K380 V382	E312-L319 HydrophobicContact CB-CD2 4.13Å; E312-L319 HydrophobicContact CG-CD2 4.45Å; E312-K379 PolarHBondContact O-N 3.26Å; E312-K380 HydrophobicContact CB-CB 3.97Å; E312-K380 PolarHBondContact N-O 3.33Å; E312-K380 PolarHBondContact O-N 3.48Å; E312-V382 HydrophobicContact CB-CG2 4.21Å
313	T	97.7	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	168	-171.2	70	0	0	0	0	113.7	L311 E315 N317 Q318 F320 L359 I376 M377	L311-T313 HydrophobicContact CB-CG2 4.47Å; T313-E315 PolarHBondContact O-N 3.3Å; T313-E315 PolarHBondContact OG1-N 2.87Å; T313-N317 WeakPolarHBondContact O-CA 3.38Å; T313-Q318 PolarHBondContact N-O 2.94Å; T313-Q318 PolarHBondContact OG1-O 3.02Å; T313-F320 HydrophobicContact CG2-CB 4.21Å; T313-F320 HydrophobicContact CG2-CD2 3.59Å; T313-F320 HydrophobicContact CG2-CE2 4.35Å; T313-F320 HydrophobicContact CG2-CG 4.19Å; T313-L359 HydrophobicContact CG2-CD1 4.43Å; T313-L359 HydrophobicContact CG2-CD2 3.8Å; T313-I376 HydrophobicContact CG2-CD1 4.11Å; T313-I376 HydrophobicContact CG2-CG1 4.4Å; T313-M377 CarbonylContact C-O 3.56Å; T313-M377 WeakPolarHBondContact CA-O 3.41Å
314	T	96.2	Very high	97.2	Very high	63 Å²	63	38.3 Å²	38.3	39%	0.387	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.2	172.1	53.5	0	0	0	0	114.3	K316 M377 K379	T314-K316 PolarHBondContact O-N 3.22Å; T314-M377 HydrophobicContact CG2-CB 3.96Å; T314-M377 PolarHBondContact N-O 2.99Å; T314-M377 PolarHBondContact OG1-N 3.11Å; T314-M377 PolarHBondContact OG1-O 3.09Å; T314-K379 HydrophobicContact CG2-CD 4.36Å; T314-K379 HydrophobicContact CG2-CG 3.95Å
315	E	92.7	Very high	97.2	Very high	89 Å²	89	34.8 Å²	34.8	42%	0.416	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	86	178.5	-171.9	60.7	-138.7	0	0	110.1	T313 N317 Q318 I376	T313-E315 PolarHBondContact O-N 3.3Å; T313-E315 PolarHBondContact OG1-N 2.87Å; E315-N317 PolarHBondContact O-N 3.26Å; E315-Q318 VanDerWaalsContact O-CB 3.28Å; E315-Q318 WeakPolarHBondContact O-CB 3.32Å; E315-Q318 VanDerWaalsContact O-CG 3.24Å; E315-Q318 WeakPolarHBondContact O-CG 3.47Å; E315-Q318 PolarHBondContact O-N 2.98Å; E315-I376 HydrophobicContact CB-CD1 4.06Å; E315-I376 HydrophobicContact CB-CG1 4.26Å
316	K	91.5	Very high	97.2	Very high	169 Å²	169	35 Å²	35	74%	0.735	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	33.5	177.3	-55.3	-179.7	-176.4	178.5	0	114	T314 Q318	T314-K316 PolarHBondContact O-N 3.22Å; K316-Q318 HydrophobicContact CB-CG 4.39Å; K316-Q318 PolarHBondContact O-N 3.34Å
317	N	89.8	Confident	97.2	Very high	94 Å²	94	37.2 Å²	37.2	50%	0.503	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	29.6	-176	-52.4	-33.6	0	0	0	113.5	T313 E315 K379	T313-N317 WeakPolarHBondContact O-CA 3.38Å; E315-N317 PolarHBondContact O-N 3.26Å; N317-K379 PolarHBondContact OD1-NZ 2.95Å
318	Q	93.7	Very high	97.1	Very high	52 Å²	52	41.5 Å²	41.5	24%	0.243	22%	0.224	C	C	.	.			trans	-75.5	144	176.8	-66.1	177.9	20.4	0	0	111.1	T313 E315 K316 F320	T313-Q318 PolarHBondContact N-O 2.94Å; T313-Q318 PolarHBondContact OG1-O 3.02Å; E315-Q318 VanDerWaalsContact O-CB 3.28Å; E315-Q318 WeakPolarHBondContact O-CB 3.32Å; E315-Q318 VanDerWaalsContact O-CG 3.24Å; E315-Q318 WeakPolarHBondContact O-CG 3.47Å; E315-Q318 PolarHBondContact O-N 2.98Å; K316-Q318 HydrophobicContact CB-CG 4.39Å; K316-Q318 PolarHBondContact O-N 3.34Å; Q318-F320 HydrophobicContact CB-CE2 4.41Å
319	L	97.9	Very high	97.1	Very high	79 Å²	79	45.3 Å²	45.3	41%	0.414	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.6	174.3	-61.3	179.6	0	0	0	110.7	V310 L311 E312 R336 V382	V310-L319 HydrophobicContact CG1-CB 4.42Å; V310-L319 HydrophobicContact CG1-CD1 4.4Å; V310-L319 HydrophobicContact CG1-CD2 4.27Å; L311-L319 CarbonylContact O-C 3.56Å; L311-L319 VanDerWaalsContact O-CA 3.28Å; L311-L319 WeakPolarHBondContact O-CA 3.37Å; E312-L319 HydrophobicContact CB-CD2 4.13Å; E312-L319 HydrophobicContact CG-CD2 4.45Å; L319-R336 WeakPolarHBondContact O-CD 3.22Å; L319-V382 HydrophobicContact CD2-CG2 4.24Å
320	F	98.6	Very high	97	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.053	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.9	167.5	-80.5	-105.1	0	0	0	109.3	L311 T313 Q318 F333 R336 I338 L359 V363 I376	L311-F320 PolarHBondContact N-O 2.95Å; L311-F320 PolarHBondContact O-N 3.17Å; T313-F320 HydrophobicContact CG2-CB 4.21Å; T313-F320 HydrophobicContact CG2-CD2 3.59Å; T313-F320 HydrophobicContact CG2-CE2 4.35Å; T313-F320 HydrophobicContact CG2-CG 4.19Å; Q318-F320 HydrophobicContact CB-CE2 4.41Å; F320-F333 HydrophobicContact CE1-CE2 4.01Å; F320-F333 HydrophobicContact CE1-CZ 4.31Å; F320-R336 CarbonylContact C-O 3.47Å; F320-R336 WeakPolarHBondContact CA-O 3.27Å; F320-R336 HydrophobicContact CD1-CB 4.14Å; F320-R336 WeakPolarHBondContact CD1-O 3.29Å; F320-R336 HydrophobicContact CE1-CB 4.3Å; F320-R336 HydrophobicContact CE1-CG 4.34Å; F320-R336 HydrophobicContact CG-CB 4.37Å; F320-R336 HydrophobicContact CZ-CG 4.29Å; F320-I338 HydrophobicContact CD1-CD1 4.4Å; F320-L359 HydrophobicContact CB-CD1 3.93Å; F320-L359 HydrophobicContact CD1-CD1 3.96Å; F320-L359 HydrophobicContact CG-CD1 3.91Å; F320-V363 HydrophobicContact CD1-CG2 4.26Å; F320-V363 HydrophobicContact CE1-CG2 3.74Å; F320-V363 HydrophobicContact CZ-CG2 4.34Å; F320-I376 HydrophobicContact CD2-CD1 4.23Å; F320-I376 HydrophobicContact CE2-CD1 3.75Å; F320-I376 HydrophobicContact CZ-CD1 3.93Å
321	T	98.9	Very high	97	Very high	26 Å²	26	48.4 Å²	48.4	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.9	174.1	-46.1	0	0	0	0	109.6	V309 V310 H323 R336 D337 I338	V309-T321 WeakPolarHBondContact O-CA 3.46Å; V310-T321 HydrophobicContact CG2-CG2 4.24Å; T321-H323 WeakPolarHBondContact CG2-CE1 3.31Å; T321-R336 PolarHBondContact N-O 2.85Å; T321-D337 WeakPolarHBondContact CB-OD1 3.48Å; T321-D337 WeakPolarHBondContact O-CA 3.24Å; T321-I338 PolarHBondContact O-N 3.35Å
322	I	98.9	Very high	97	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.6	171	-50.5	-176.2	0	0	0	107.9	S308 V309 L311 Y324 I338 Y340 L355 D358 L359	S308-I322 CarbonylContact C-O 3.56Å; S308-I322 WeakPolarHBondContact CA-O 3.42Å; V309-I322 PolarHBondContact N-O 3.06Å; V309-I322 PolarHBondContact O-N 3.28Å; L311-I322 HydrophobicContact CD1-CD1 3.61Å; L311-I322 HydrophobicContact CD1-CG1 4.07Å; I322-Y324 HydrophobicContact CG2-CE1 3.9Å; I322-Y324 HydrophobicContact CG2-CE2 4.15Å; I322-I338 CarbonylContact C-O 3.49Å; I322-I338 WeakPolarHBondContact CA-O 3.38Å; I322-I338 HydrophobicContact CG1-CB 4.39Å; I322-I338 HydrophobicContact CG1-CD1 4.35Å; I322-I338 HydrophobicContact CG2-CB 4.5Å; I322-I338 HydrophobicContact CG2-CG2 4.46Å; I322-Y340 HydrophobicContact CG2-CD2 3.87Å; I322-Y340 HydrophobicContact CG2-CE2 4.2Å; I322-L355 HydrophobicContact CD1-CD2 4.24Å; I322-D358 HydrophobicContact CD1-CB 3.89Å; I322-D358 HydrophobicContact CG2-CB 4.5Å; I322-L359 HydrophobicContact CD1-CB 4.23Å
323	H	98.9	Very high	97	Very high	30 Å²	30	50.7 Å²	50.7	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.4	-179	-57.1	-81.3	0	0	0	110.5	S308 T321 V325 D337 I338 Y339 Y340	S308-H323 WeakPolarHBondContact CB-ND1 3.4Å; S308-H323 PolarHBondContact OG-ND1 3.22Å; T321-H323 WeakPolarHBondContact CG2-CE1 3.31Å; H323-V325 HydrophobicContact CB-CG2 3.9Å; H323-D337 IonicContact NE2-OD1 3.92Å; H323-D337 PolarHBondContact NE2-OD1 3.39Å; H323-D337 VanDerWaalsContact NE2-OD1 3.15Å; H323-I338 PolarHBondContact N-O 2.91Å; H323-Y339 HydrophobicContact CB-CD1 3.55Å; H323-Y339 HydrophobicContact CB-CE1 3.95Å; H323-Y339 HydrophobicContact CB-CG 4.32Å; H323-Y339 AromaticContact CD2-CD1 3.59Å; H323-Y339 AromaticContact CD2-CE1 3.21Å; H323-Y339 WeakPolarHBondContact CD2-CE1 3.16Å; H323-Y339 AromaticContact CD2-CZ 3.58Å; H323-Y339 AromaticContact CG-CD1 3.75Å; H323-Y339 AromaticContact CG-CE1 3.61Å; H323-Y339 AromaticContact NE2-CE1 3.81Å; H323-Y339 AromaticContact NE2-CZ 3.93Å; H323-Y339 WeakPolarHBondContact O-CA 3.4Å; H323-Y340 PolarHBondContact O-N 3.2Å
324	Y	98.9	Very high	97	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	98.1	170.2	-56	-68.4	0	0	0	109	F297 S306 V307 V309 I322 Y340 I342 R353 D358	F297-Y324 HydrophobicContact CZ-CD2 4.49Å; S306-Y324 VanDerWaalsContact CA-O 3.25Å; S306-Y324 WeakPolarHBondContact CA-O 2.87Å; S306-Y324 WeakPolarHBondContact CB-O 3.2Å; V307-Y324 PolarHBondContact N-O 2.97Å; V307-Y324 WeakPolarHBondContact O-CA 3.42Å; V307-Y324 VanDerWaalsContact O-CB 3.3Å; V307-Y324 WeakPolarHBondContact O-CB 3.45Å; V307-Y324 WeakPolarHBondContact O-CD2 3.32Å; V307-Y324 PolarHBondContact O-N 3.12Å; V309-Y324 HydrophobicContact CG2-CD2 4.48Å; V309-Y324 HydrophobicContact CG2-CE2 3.98Å; I322-Y324 HydrophobicContact CG2-CE1 3.9Å; I322-Y324 HydrophobicContact CG2-CE2 4.15Å; Y324-Y340 CarbonylContact C-O 3.53Å; Y324-Y340 WeakPolarHBondContact CA-O 3.36Å; Y324-Y340 HydrophobicContact CE1-CD2 4.26Å; Y324-Y340 HydrophobicContact CE1-CG 4.4Å; Y324-I342 HydrophobicContact CD1-CG2 3.96Å; Y324-I342 HydrophobicContact CG-CG2 4.31Å; Y324-R353 HydrophobicContact CD1-CG 4.24Å; Y324-R353 HydrophobicContact CE1-CB 4.25Å; Y324-R353 HydrophobicContact CE1-CG 3.63Å; Y324-R353 HydrophobicContact CE2-CB 4.47Å; Y324-R353 HydrophobicContact CE2-CG 4.11Å; Y324-R353 WeakPolarHBondContact OH-CB 3.37Å; Y324-D358 WeakPolarHBondContact CE1-OD2 3.49Å; Y324-D358 PolarHBondContact OH-OD2 3.45Å
325	V	98.7	Very high	96.9	Very high	33 Å²	33	62.1 Å²	62.1	20%	0.2	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.2	-167.9	-171	0	0	0	0	110.7	H323 N327 Y339 Y340 G341 I342	H323-V325 HydrophobicContact CB-CG2 3.9Å; V325-N327 WeakPolarHBondContact CG1-ND2 3.47Å; V325-N327 PolarHBondContact O-N 2.8Å; V325-Y339 HydrophobicContact CG2-CD1 4.18Å; V325-Y340 PolarHBondContact N-O 3.18Å; V325-G341 WeakPolarHBondContact O-CA 3.49Å; V325-I342 WeakPolarHBondContact O-CG1 3.21Å; V325-I342 PolarHBondContact O-N 3.5Å
326	S	98.4	Very high	97.1	Very high	10 Å²	10	63 Å²	63	7%	0.07	32%	0.318	C	S	.	.	S	Bend	trans	-74.8	51.2	-178.5	69.2	0	0	0	0	114.2	N304 G305 G343	N304-S326 VanDerWaalsContact CA-OG 3.25Å; N304-S326 WeakPolarHBondContact CA-OG 3.46Å; N304-S326 PolarHBondContact OD1-OG 3.36Å; G305-S326 PolarHBondContact N-OG 2.88Å; G305-S326 PolarHBondContact O-N 2.81Å; G305-S326 PolarHBondContact O-OG 2.97Å; S326-G343 CarbonylContact C-O 3.51Å; S326-G343 WeakPolarHBondContact CA-O 3.25Å
327	N	98.1	Very high	97.5	Very high	61 Å²	61	57.2 Å²	57.2	33%	0.326	30%	0.295	S	S	.	.	S	Bend	trans	-138.2	179.6	178.4	69.8	34.2	0	0	0	111.1	V325 Q329 G341 I342 G343	V325-N327 WeakPolarHBondContact CG1-ND2 3.47Å; V325-N327 PolarHBondContact O-N 2.8Å; N327-Q329 WeakPolarHBondContact OD1-CB 3.46Å; N327-Q329 PolarHBondContact OD1-N 2.73Å; N327-G341 CarbonylContact O-C 3.45Å; N327-G341 VanDerWaalsContact O-C 3.25Å; N327-G341 WeakPolarHBondContact O-CA 3.38Å; N327-G341 VanDerWaalsContact OD1-CA 3.29Å; N327-G341 WeakPolarHBondContact OD1-CA 3.22Å; N327-I342 PolarHBondContact O-N 3.02Å; N327-G343 WeakPolarHBondContact O-CA 3.18Å; N327-G343 PolarHBondContact O-N 3.28Å
328	A	97.6	Very high	97.9	Very high	90 Å²	90	52.7 Å²	52.7	74%	0.744	27%	0.271	S	S	*	.			trans	-97.7	12.6	-179.1	0	0	0	0	0	114.1	L330	A328-L330 PolarHBondContact O-N 2.96Å
329	Q	97.4	Very high	98.2	Very high	84 Å²	84	53.7 Å²	53.7	39%	0.393	27%	0.273	S	S	.	.			trans	-64.4	129.4	177.7	-174.8	-178.8	-73.6	0	0	109.7	N327 G341	N327-Q329 WeakPolarHBondContact OD1-CB 3.46Å; N327-Q329 PolarHBondContact OD1-N 2.73Å; Q329-G341 WeakPolarHBondContact O-CA 3.47Å; Q329-G341 PolarHBondContact O-N 3.31Å
330	L	97.7	Very high	98.2	Very high	51 Å²	51	50 Å²	50	27%	0.267	25%	0.254	S	S	.	.			trans	-64.7	-62.8	-177.4	176.8	68.5	0	0	0	112.5	K189 L199 A328 Y340	K189-L330 HydrophobicContact CD-CD2 3.95Å; L199-L330 HydrophobicContact CD2-CD1 3.92Å; L199-L330 HydrophobicContact CD2-CD2 3.31Å; L199-L330 HydrophobicContact CD2-CG 4.25Å; A328-L330 PolarHBondContact O-N 2.96Å; L330-Y340 WeakPolarHBondContact O-CD1 3.44Å
331	I	98.5	Very high	98.2	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.092	25%	0.252	C	S	.	.			trans	-159.3	140.7	-178.5	-169.6	174.4	0	0	0	109.2	C190 Y339 Y340 K361 L365	C190-I331 HydrophobicContact CB-CD1 4Å; I331-Y339 CarbonylContact C-O 3.6Å; I331-Y339 WeakPolarHBondContact CA-O 3.29Å; I331-Y340 HydrophobicContact CB-CD1 4.45Å; I331-Y340 HydrophobicContact CB-CE1 4.2Å; I331-Y340 HydrophobicContact CD1-CE1 3.79Å; I331-Y340 HydrophobicContact CD1-CE2 4.16Å; I331-Y340 VanDerWaalsContact CD1-CZ 3.46Å; I331-Y340 WeakPolarHBondContact CD1-OH 3.46Å; I331-Y340 HydrophobicContact CG1-CD1 4.4Å; I331-Y340 HydrophobicContact CG1-CE1 3.94Å; I331-Y340 HydrophobicContact CG1-CE2 4.25Å; I331-K361 HydrophobicContact CD1-CB 4.46Å; I331-L365 HydrophobicContact CG2-CD1 3.66Å; I331-L365 HydrophobicContact CG2-CD2 4.41Å
332	A	98.5	Very high	98.2	Very high	29 Å²	29	48.3 Å²	48.3	24%	0.24	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.5	164.9	0	0	0	0	0	110.5	I338 Y339	A332-I338 CarbonylContact O-C 3.56Å; A332-I338 WeakPolarHBondContact O-CA 3.45Å; A332-Y339 HydrophobicContact CB-CD2 4.35Å; A332-Y339 PolarHBondContact N-O 2.96Å; A332-Y339 PolarHBondContact O-N 2.98Å
333	F	98.3	Very high	98.2	Very high	75 Å²	75	48.6 Å²	48.6	33%	0.329	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	126	177.5	173.8	-124.4	0	0	0	109.3	F320 E335 D337 I338 G362 V363 L365	F320-F333 HydrophobicContact CE1-CE2 4.01Å; F320-F333 HydrophobicContact CE1-CZ 4.31Å; F333-E335 WeakPolarHBondContact CE2-O 3.31Å; F333-E335 WeakPolarHBondContact CZ-O 3.29Å; F333-D337 WeakPolarHBondContact CA-O 3.3Å; F333-I338 HydrophobicContact CD2-CG1 3.62Å; F333-I338 HydrophobicContact CE2-CG1 4.16Å; F333-G362 WeakPolarHBondContact CB-O 3.18Å; F333-G362 WeakPolarHBondContact CG-O 3.47Å; F333-V363 HydrophobicContact CE2-CG2 4.41Å; F333-V363 HydrophobicContact CZ-CG2 4.4Å; F333-L365 HydrophobicContact CB-CB 4.37Å; F333-L365 HydrophobicContact CB-CD2 3.99Å
334	K	97.4	Very high	98.1	Very high	145 Å²	145	51.1 Å²	51.1	63%	0.63	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	115.2	175.3	-172.7	-178.9	178.9	-173.5	0	108.6	R336 D337	K334-R336 PolarHBondContact O-N 3.38Å; K334-D337 PolarHBondContact N-O 2.91Å; K334-D337 PolarHBondContact O-N 3.37Å
335	E	95	Very high	98.1	Very high	157 Å²	157	53.7 Å²	53.7	73%	0.734	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	-92.4	-179.1	-62.3	176.6	-168.1	0	0	113.7	F333	F333-E335 WeakPolarHBondContact CE2-O 3.31Å; F333-E335 WeakPolarHBondContact CZ-O 3.29Å
336	R	97.3	Very high	98.1	Very high	108 Å²	108	56.3 Å²	56.3	41%	0.408	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	6.3	179.5	-60	-166.2	-174.1	148	2.4	113.4	L319 F320 T321 K334	L319-R336 WeakPolarHBondContact O-CD 3.22Å; F320-R336 CarbonylContact C-O 3.47Å; F320-R336 WeakPolarHBondContact CA-O 3.27Å; F320-R336 HydrophobicContact CD1-CB 4.14Å; F320-R336 WeakPolarHBondContact CD1-O 3.29Å; F320-R336 HydrophobicContact CE1-CB 4.3Å; F320-R336 HydrophobicContact CE1-CG 4.34Å; F320-R336 HydrophobicContact CG-CB 4.37Å; F320-R336 HydrophobicContact CZ-CG 4.29Å; T321-R336 PolarHBondContact N-O 2.85Å; K334-R336 PolarHBondContact O-N 3.38Å
337	D	98.6	Very high	98.1	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.251	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.3	179	-59.8	-63.5	0	0	0	110	T321 H323 F333 K334 Y339	T321-D337 WeakPolarHBondContact CB-OD1 3.48Å; T321-D337 WeakPolarHBondContact O-CA 3.24Å; H323-D337 IonicContact NE2-OD1 3.92Å; H323-D337 PolarHBondContact NE2-OD1 3.39Å; H323-D337 VanDerWaalsContact NE2-OD1 3.15Å; F333-D337 WeakPolarHBondContact CA-O 3.3Å; K334-D337 PolarHBondContact N-O 2.91Å; K334-D337 PolarHBondContact O-N 3.37Å; D337-Y339 HydrophobicContact CB-CD2 4.47Å; D337-Y339 HydrophobicContact CB-CE2 3.52Å; D337-Y339 WeakPolarHBondContact CB-OH 3.07Å
338	I	98.9	Very high	98.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.8	177.3	-60.3	162.8	0	0	0	107.1	F320 T321 I322 H323 A332 F333 Y340 L359 V363	F320-I338 HydrophobicContact CD1-CD1 4.4Å; T321-I338 PolarHBondContact O-N 3.35Å; I322-I338 CarbonylContact C-O 3.49Å; I322-I338 WeakPolarHBondContact CA-O 3.38Å; I322-I338 HydrophobicContact CG1-CB 4.39Å; I322-I338 HydrophobicContact CG1-CD1 4.35Å; I322-I338 HydrophobicContact CG2-CB 4.5Å; I322-I338 HydrophobicContact CG2-CG2 4.46Å; H323-I338 PolarHBondContact N-O 2.91Å; A332-I338 CarbonylContact O-C 3.56Å; A332-I338 WeakPolarHBondContact O-CA 3.45Å; F333-I338 HydrophobicContact CD2-CG1 3.62Å; F333-I338 HydrophobicContact CE2-CG1 4.16Å; I338-Y340 HydrophobicContact CG2-CD2 3.94Å; I338-Y340 HydrophobicContact CG2-CE2 3.48Å; I338-Y340 VanDerWaalsContact CG2-CE2 3.48Å; I338-L359 HydrophobicContact CD1-CD1 3.77Å; I338-V363 HydrophobicContact CD1-CG2 4.31Å
339	Y	98.9	Very high	98.1	Very high	73 Å²	73	56.4 Å²	56.4	29%	0.286	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.1	-175.6	-58.3	-94.3	0	0	0	110.3	H323 V325 I331 A332 D337	H323-Y339 HydrophobicContact CB-CD1 3.55Å; H323-Y339 HydrophobicContact CB-CE1 3.95Å; H323-Y339 HydrophobicContact CB-CG 4.32Å; H323-Y339 AromaticContact CD2-CD1 3.59Å; H323-Y339 AromaticContact CD2-CE1 3.21Å; H323-Y339 WeakPolarHBondContact CD2-CE1 3.16Å; H323-Y339 AromaticContact CD2-CZ 3.58Å; H323-Y339 AromaticContact CG-CD1 3.75Å; H323-Y339 AromaticContact CG-CE1 3.61Å; H323-Y339 AromaticContact NE2-CE1 3.81Å; H323-Y339 AromaticContact NE2-CZ 3.93Å; H323-Y339 WeakPolarHBondContact O-CA 3.4Å; V325-Y339 HydrophobicContact CG2-CD1 4.18Å; I331-Y339 CarbonylContact C-O 3.6Å; I331-Y339 WeakPolarHBondContact CA-O 3.29Å; A332-Y339 HydrophobicContact CB-CD2 4.35Å; A332-Y339 PolarHBondContact N-O 2.96Å; A332-Y339 PolarHBondContact O-N 2.98Å; D337-Y339 HydrophobicContact CB-CD2 4.47Å; D337-Y339 HydrophobicContact CB-CE2 3.52Å; D337-Y339 WeakPolarHBondContact CB-OH 3.07Å
340	Y	98.9	Very high	98.2	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.4	171	-76.1	-90.1	0	0	0	109.2	C190 I322 H323 Y324 V325 L330 I331 I338 D358	C190-Y340 HydrophobicContact CB-CE1 3.83Å; I322-Y340 HydrophobicContact CG2-CD2 3.87Å; I322-Y340 HydrophobicContact CG2-CE2 4.2Å; H323-Y340 PolarHBondContact O-N 3.2Å; Y324-Y340 CarbonylContact C-O 3.53Å; Y324-Y340 WeakPolarHBondContact CA-O 3.36Å; Y324-Y340 HydrophobicContact CE1-CD2 4.26Å; Y324-Y340 HydrophobicContact CE1-CG 4.4Å; V325-Y340 PolarHBondContact N-O 3.18Å; L330-Y340 WeakPolarHBondContact O-CD1 3.44Å; I331-Y340 HydrophobicContact CB-CD1 4.45Å; I331-Y340 HydrophobicContact CB-CE1 4.2Å; I331-Y340 HydrophobicContact CD1-CE1 3.79Å; I331-Y340 HydrophobicContact CD1-CE2 4.16Å; I331-Y340 VanDerWaalsContact CD1-CZ 3.46Å; I331-Y340 WeakPolarHBondContact CD1-OH 3.46Å; I331-Y340 HydrophobicContact CG1-CD1 4.4Å; I331-Y340 HydrophobicContact CG1-CE1 3.94Å; I331-Y340 HydrophobicContact CG1-CE2 4.25Å; I338-Y340 HydrophobicContact CG2-CD2 3.94Å; I338-Y340 HydrophobicContact CG2-CE2 3.48Å; I338-Y340 VanDerWaalsContact CG2-CE2 3.48Å; Y340-D358 HydrophobicContact CE2-CB 3.8Å; Y340-D358 WeakPolarHBondContact OH-CA 3.28Å; Y340-D358 PolarHBondContact OH-O 2.82Å
341	G	98.8	Very high	98.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.1	168	0	0	0	0	0	109.9	G193 V194 V325 N327 Q329	G193-G341 CarbonylContact C-O 3.49Å; G193-G341 VanDerWaalsContact CA-O 3.28Å; G193-G341 WeakPolarHBondContact CA-O 3.19Å; V194-G341 PolarHBondContact N-O 2.91Å; V325-G341 WeakPolarHBondContact O-CA 3.49Å; N327-G341 CarbonylContact O-C 3.45Å; N327-G341 VanDerWaalsContact O-C 3.25Å; N327-G341 WeakPolarHBondContact O-CA 3.38Å; N327-G341 VanDerWaalsContact OD1-CA 3.29Å; N327-G341 WeakPolarHBondContact OD1-CA 3.22Å; Q329-G341 WeakPolarHBondContact O-CA 3.47Å; Q329-G341 PolarHBondContact O-N 3.31Å
342	I	98.7	Very high	98.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.287	C	S	.	.			trans	-103.8	8.3	178.6	60.7	166.2	0	0	0	113	L299 Y324 V325 N327 R345 V351	L299-I342 HydrophobicContact CD2-CD1 3.7Å; Y324-I342 HydrophobicContact CD1-CG2 3.96Å; Y324-I342 HydrophobicContact CG-CG2 4.31Å; V325-I342 WeakPolarHBondContact O-CG1 3.21Å; V325-I342 PolarHBondContact O-N 3.5Å; N327-I342 PolarHBondContact O-N 3.02Å; I342-R345 HydrophobicContact CD1-CG 3.92Å; I342-R345 HydrophobicContact CG1-CG 4.09Å; I342-R345 PolarHBondContact O-NE 2.9Å; I342-R345 PolarHBondContact O-NH2 2.9Å; I342-V351 HydrophobicContact CD1-CG2 4.4Å
343	G	98.3	Very high	98.3	Very high	6 Å²	6	54.3 Å²	54.3	6%	0.062	28%	0.277	C	S	.	.			trans	76.8	-177.3	-174.7	0	0	0	0	0	112.7	S326 N327 R345	S326-G343 CarbonylContact C-O 3.51Å; S326-G343 WeakPolarHBondContact CA-O 3.25Å; N327-G343 WeakPolarHBondContact O-CA 3.18Å; N327-G343 PolarHBondContact O-N 3.28Å; G343-R345 VanDerWaalsContact C-N 3.34Å; G343-R345 PolarHBondContact O-N 3.37Å
344	P	98.3	Very high	98.3	Very high	84 Å²	84	52.8 Å²	52.8	55%	0.545	27%	0.272	S	S	.	.			trans	-64.1	-33.3	-171.9	-24.8	34.8	0	0	0	114.7	T346	P344-T346 HydrophobicContact CB-CG2 3.99Å; P344-T346 PolarHBondContact O-N 2.95Å
345	R	98.4	Very high	98.4	Very high	53 Å²	53	45.9 Å²	45.9	20%	0.2	24%	0.242	C	C	.	.			trans	47.8	40.6	-176.7	-56.1	-74.3	170.6	-175.9	-3.4	113.2	G193 V194 L299 K300 F301 I342 G343 S347 S349	G193-R345 PolarHBondContact O-NH2 2.73Å; G193-R345 VanDerWaalsContact O-NH2 3.11Å; V194-R345 PolarHBondContact O-NH2 2.96Å; V194-R345 VanDerWaalsContact O-NH2 3.12Å; L299-R345 HydrophobicContact CD2-CB 4.14Å; L299-R345 HydrophobicContact CD2-CG 4.19Å; L299-R345 HydrophobicContact CG-CB 4.39Å; K300-R345 CarbonylContact C-O 3.57Å; K300-R345 WeakPolarHBondContact CA-O 3.46Å; F301-R345 HydrophobicContact CD2-CB 4.03Å; F301-R345 PolarHBondContact N-O 3.35Å; I342-R345 HydrophobicContact CD1-CG 3.92Å; I342-R345 HydrophobicContact CG1-CG 4.09Å; I342-R345 PolarHBondContact O-NE 2.9Å; I342-R345 PolarHBondContact O-NH2 2.9Å; G343-R345 VanDerWaalsContact C-N 3.34Å; G343-R345 PolarHBondContact O-N 3.37Å; R345-S347 VanDerWaalsContact C-N 3.28Å; R345-S347 PolarHBondContact O-N 2.93Å; R345-S349 WeakPolarHBondContact CD-OG 3.17Å; R345-S349 PolarHBondContact NH1-OG 3.36Å
346	T	98.1	Very high	98.5	Very high	88 Å²	88	39.8 Å²	39.8	54%	0.54	22%	0.216	S	C	.	.			trans	-77.9	-13.7	179.9	48.5	0	0	0	0	113.7	K300 F301 P344	K300-T346 WeakPolarHBondContact CE-O 3.47Å; K300-T346 WeakPolarHBondContact CG-O 3.43Å; F301-T346 WeakPolarHBondContact O-CA 3.41Å; P344-T346 HydrophobicContact CB-CG2 3.99Å; P344-T346 PolarHBondContact O-N 2.95Å
347	S	98	Very high	98.6	Very high	85 Å²	85	35 Å²	35	59%	0.594	20%	0.199	S	C	*	.	S	Bend	trans	-111.7	153.6	168.9	-62.8	0	0	0	0	109.7	R345 S349	R345-S347 VanDerWaalsContact C-N 3.28Å; R345-S347 PolarHBondContact O-N 2.93Å; S347-S349 PolarHBondContact O-N 3.2Å
348	W	98.4	Very high	98.6	Very high	49 Å²	49	32.9 Å²	32.9	19%	0.186	19%	0.187	C	C	.	.			trans	-54.8	128.3	177.3	-79.1	117.9	0	0	0	111.3	D264 R267 V271 D298 K300 F391	D264-W348 WeakPolarHBondContact OD2-CZ2 3.32Å; D264-W348 PolarHBondContact OD2-NE1 2.83Å; R267-W348 HydrophobicContact CG-CD2 4.33Å; R267-W348 HydrophobicContact CG-CG 4.08Å; V271-W348 HydrophobicContact CB-CH2 4.1Å; V271-W348 HydrophobicContact CB-CZ2 4.3Å; V271-W348 HydrophobicContact CG1-CH2 3.8Å; V271-W348 HydrophobicContact CG1-CZ2 3.83Å; V271-W348 HydrophobicContact CG2-CH2 4.49Å; V271-W348 HydrophobicContact CG2-CZ2 4.3Å; D298-W348 HydrophobicContact CB-CE3 4.15Å; D298-W348 HydrophobicContact CB-CZ3 3.98Å; K300-W348 HydrophobicContact CB-CD2 3.68Å; K300-W348 HydrophobicContact CB-CE3 3.78Å; K300-W348 HydrophobicContact CB-CG 4.21Å; K300-W348 HydrophobicContact CB-CH2 4.32Å; K300-W348 HydrophobicContact CB-CZ2 4.21Å; K300-W348 HydrophobicContact CB-CZ3 4.1Å; K300-W348 HydrophobicContact CD-CD2 4.12Å; K300-W348 HydrophobicContact CD-CG 4.07Å; K300-W348 HydrophobicContact CD-CZ2 4.48Å; W348-F391 HydrophobicContact CH2-CB 3.39Å; W348-F391 HydrophobicContact CH2-CG 4.44Å; W348-F391 HydrophobicContact CZ2-CB 3.67Å; W348-F391 HydrophobicContact CZ2-CG 4.27Å; W348-F391 HydrophobicContact CZ3-CB 4.33Å
349	S	98.1	Very high	98.6	Very high	30 Å²	30	32.9 Å²	32.9	21%	0.21	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.4	170.4	60.1	0	0	0	0	110.3	L299 R345 S347	L299-S349 PolarHBondContact N-O 3.41Å; L299-S349 PolarHBondContact O-N 2.86Å; R345-S349 WeakPolarHBondContact CD-OG 3.17Å; R345-S349 PolarHBondContact NH1-OG 3.36Å; S347-S349 PolarHBondContact O-N 3.2Å
350	T	98.8	Very high	98.6	Very high	81 Å²	81	33.3 Å²	33.3	50%	0.497	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.4	173.5	-46.9	0	0	0	0	109.3	S296 D298	S296-T350 WeakPolarHBondContact OG-CG2 3.18Å; D298-T350 WeakPolarHBondContact OD1-CA 3.46Å; D298-T350 VanDerWaalsContact OD1-CB 3.32Å; D298-T350 WeakPolarHBondContact OD1-CB 3.45Å; D298-T350 PolarHBondContact OD1-OG1 3Å
351	V	98.9	Very high	98.6	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.1	174.8	177.8	0	0	0	0	107.9	S296 F297 L299 I342 R353	S296-V351 CarbonylContact C-O 3.5Å; S296-V351 VanDerWaalsContact CA-O 3.22Å; S296-V351 WeakPolarHBondContact CA-O 3.37Å; S296-V351 PolarHBondContact OG-O 3.41Å; F297-V351 HydrophobicContact CD2-CB 4.1Å; F297-V351 HydrophobicContact CE1-CG1 4.48Å; F297-V351 HydrophobicContact CE2-CB 3.66Å; F297-V351 HydrophobicContact CE2-CG1 3.97Å; F297-V351 HydrophobicContact CE2-CG2 4.09Å; F297-V351 HydrophobicContact CZ-CB 3.97Å; F297-V351 HydrophobicContact CZ-CG1 3.79Å; F297-V351 PolarHBondContact N-O 3.13Å; F297-V351 PolarHBondContact O-N 3.47Å; L299-V351 HydrophobicContact CB-CG2 4.34Å; L299-V351 HydrophobicContact CD2-CG2 4.25Å; I342-V351 HydrophobicContact CD1-CG2 4.4Å; V351-R353 HydrophobicContact CG1-CG 3.94Å
352	T	98.9	Very high	98.6	Very high	42 Å²	42	33.7 Å²	33.7	26%	0.258	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.9	178	-57.4	0	0	0	0	110	I294 I295 S296 A401 A404	I294-T352 HydrophobicContact CG2-CG2 3.73Å; I295-T352 CarbonylContact O-C 3.56Å; I295-T352 WeakPolarHBondContact O-CA 3.35Å; S296-T352 PolarHBondContact OG-OG1 3.06Å; T352-A401 HydrophobicContact CG2-CB 3.7Å; T352-A404 HydrophobicContact CG2-CB 4.16Å
353	R	98.9	Very high	98.6	Very high	8 Å²	8	35.4 Å²	35.4	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134	-172.7	-55.5	-59.8	-52	177.7	-4.3	111.8	I191 S192 I294 I295 Y324 V351 D358	I191-R353 PolarHBondContact O-NH2 2.88Å; S192-R353 PolarHBondContact O-NH1 2.71Å; I294-R353 CarbonylContact C-O 3.56Å; I294-R353 WeakPolarHBondContact CA-O 3.32Å; I295-R353 HydrophobicContact CG2-CB 4.02Å; I295-R353 PolarHBondContact N-O 3.25Å; I295-R353 PolarHBondContact O-N 3.14Å; Y324-R353 HydrophobicContact CD1-CG 4.24Å; Y324-R353 HydrophobicContact CE1-CB 4.25Å; Y324-R353 HydrophobicContact CE1-CG 3.63Å; Y324-R353 HydrophobicContact CE2-CB 4.47Å; Y324-R353 HydrophobicContact CE2-CG 4.11Å; Y324-R353 WeakPolarHBondContact OH-CB 3.37Å; V351-R353 HydrophobicContact CG1-CG 3.94Å; R353-D358 IonicContact CZ-OD1 2.82Å; R353-D358 IonicContact CZ-OD2 2.85Å; R353-D358 IonicContact NE-OD1 3.23Å; R353-D358 IonicContact NE-OD2 4Å; R353-D358 PolarHBondContact NE-OD2 3.01Å; R353-D358 IonicContact NH2-OD1 2.68Å; R353-D358 PolarHBondContact NH2-OD1 2.82Å; R353-D358 IonicContact NH2-OD2 3.84Å; R353-D358 PolarHBondContact NH2-OD2 3.14Å; R353-D358 VanDerWaalsContact NH2-OD2 3.14Å
354	D	98.8	Very high	98.5	Very high	43 Å²	43	35.2 Å²	35.2	23%	0.23	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107.2	167.6	175	4.1	0	0	0	109.7	I294 V356 T357 D358	I294-D354 HydrophobicContact CD1-CB 3.51Å; D354-V356 VanDerWaalsContact C-N 3.27Å; D354-V356 PolarHBondContact O-N 3.45Å; D354-V356 WeakPolarHBondContact OD1-CA 3.15Å; D354-V356 WeakPolarHBondContact OD1-CB 3.39Å; D354-V356 PolarHBondContact OD1-N 2.94Å; D354-T357 PolarHBondContact O-N 3.25Å; D354-T357 PolarHBondContact OD1-N 3.11Å; D354-T357 WeakPolarHBondContact OD2-CB 3.46Å; D354-T357 PolarHBondContact OD2-N 3.32Å; D354-T357 PolarHBondContact OD2-OG1 3.46Å; D354-D358 WeakPolarHBondContact O-CB 3.21Å; D354-D358 PolarHBondContact O-N 3.2Å
355	L	98.9	Very high	98.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-25.5	-177.4	-62	167.2	0	0	0	112.4	F293 I295 V309 L311 I322 L359 V381	F293-L355 HydrophobicContact CB-CB 4.36Å; F293-L355 VanDerWaalsContact O-CB 3.26Å; F293-L355 WeakPolarHBondContact O-CB 3.45Å; F293-L355 WeakPolarHBondContact O-CG 3.15Å; F293-L355 PolarHBondContact O-N 3.23Å; I295-L355 HydrophobicContact CB-CD1 4.01Å; I295-L355 HydrophobicContact CB-CG 4.42Å; I295-L355 HydrophobicContact CG2-CD1 4.03Å; I295-L355 HydrophobicContact CG2-CD2 3.87Å; I295-L355 HydrophobicContact CG2-CG 3.94Å; V309-L355 HydrophobicContact CB-CD2 4.15Å; V309-L355 HydrophobicContact CG1-CD1 4.07Å; V309-L355 HydrophobicContact CG1-CD2 3.99Å; V309-L355 HydrophobicContact CG2-CD2 4.35Å; L311-L355 HydrophobicContact CD1-CB 4.21Å; L311-L355 HydrophobicContact CD2-CB 4.42Å; L311-L355 HydrophobicContact CD2-CD1 4.01Å; I322-L355 HydrophobicContact CD1-CD2 4.24Å; L355-L359 WeakPolarHBondContact O-CB 3.47Å; L355-L359 PolarHBondContact O-N 2.82Å; L355-V381 HydrophobicContact CD1-CG1 4.1Å; L355-V381 HydrophobicContact CD1-CG2 3.69Å
356	V	98.8	Very high	98.4	Very high	29 Å²	29	31.6 Å²	31.6	18%	0.176	18%	0.179	C	C	.	.	H	α-helix	trans	-68.3	-50.5	174	179.4	0	0	0	0	109.3	F293 D354 R360 M377 P378	F293-V356 HydrophobicContact CB-CG2 3.8Å; F293-V356 HydrophobicContact CD2-CG2 4.2Å; F293-V356 HydrophobicContact CG-CG2 4.08Å; D354-V356 VanDerWaalsContact C-N 3.27Å; D354-V356 PolarHBondContact O-N 3.45Å; D354-V356 WeakPolarHBondContact OD1-CA 3.15Å; D354-V356 WeakPolarHBondContact OD1-CB 3.39Å; D354-V356 PolarHBondContact OD1-N 2.94Å; V356-R360 WeakPolarHBondContact O-CB 3.48Å; V356-R360 VanDerWaalsContact O-CG 3.27Å; V356-R360 WeakPolarHBondContact O-CG 3.39Å; V356-R360 PolarHBondContact O-N 3.26Å; V356-M377 HydrophobicContact CG1-CE 3.69Å; V356-M377 HydrophobicContact CG1-SD 4.05Å; V356-M377 HydrophobicContact CG2-CE 4.4Å; V356-P378 HydrophobicContact CB-CG 4.41Å; V356-P378 HydrophobicContact CG2-CG 3.64Å
357	T	98.8	Very high	98.3	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.055	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-49.6	178.8	-69.2	0	0	0	0	110.9	E183 I191 D354 L359 R360 K361	E183-T357 HydrophobicContact CB-CG2 4.16Å; I191-T357 HydrophobicContact CG1-CG2 3.97Å; D354-T357 PolarHBondContact O-N 3.25Å; D354-T357 PolarHBondContact OD1-N 3.11Å; D354-T357 WeakPolarHBondContact OD2-CB 3.46Å; D354-T357 PolarHBondContact OD2-N 3.32Å; D354-T357 PolarHBondContact OD2-OG1 3.46Å; T357-L359 VanDerWaalsContact C-N 3.34Å; T357-L359 PolarHBondContact O-N 3.48Å; T357-R360 PolarHBondContact O-N 2.81Å; T357-K361 HydrophobicContact CG2-CG 3.99Å; T357-K361 WeakPolarHBondContact O-CB 3.49Å; T357-K361 WeakPolarHBondContact O-CG 3.43Å; T357-K361 PolarHBondContact O-N 3.37Å
358	D	98.9	Very high	98.3	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-41.7	-178.5	-76.8	-9.6	0	0	0	111.8	I322 Y324 Y340 R353 D354 G362	I322-D358 HydrophobicContact CD1-CB 3.89Å; I322-D358 HydrophobicContact CG2-CB 4.5Å; Y324-D358 WeakPolarHBondContact CE1-OD2 3.49Å; Y324-D358 PolarHBondContact OH-OD2 3.45Å; Y340-D358 HydrophobicContact CE2-CB 3.8Å; Y340-D358 WeakPolarHBondContact OH-CA 3.28Å; Y340-D358 PolarHBondContact OH-O 2.82Å; R353-D358 IonicContact CZ-OD1 2.82Å; R353-D358 IonicContact CZ-OD2 2.85Å; R353-D358 IonicContact NE-OD1 3.23Å; R353-D358 IonicContact NE-OD2 4Å; R353-D358 PolarHBondContact NE-OD2 3.01Å; R353-D358 IonicContact NH2-OD1 2.68Å; R353-D358 PolarHBondContact NH2-OD1 2.82Å; R353-D358 IonicContact NH2-OD2 3.84Å; R353-D358 PolarHBondContact NH2-OD2 3.14Å; R353-D358 VanDerWaalsContact NH2-OD2 3.14Å; D354-D358 WeakPolarHBondContact O-CB 3.21Å; D354-D358 PolarHBondContact O-N 3.2Å; D358-G362 PolarHBondContact O-N 2.99Å
359	L	98.8	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-51.5	174.8	177.9	63.4	0	0	0	111.6	L311 T313 F320 I322 I338 L355 T357 K361 G362 V363 I376 P378	L311-L359 HydrophobicContact CD1-CB 4.41Å; T313-L359 HydrophobicContact CG2-CD1 4.43Å; T313-L359 HydrophobicContact CG2-CD2 3.8Å; F320-L359 HydrophobicContact CB-CD1 3.93Å; F320-L359 HydrophobicContact CD1-CD1 3.96Å; F320-L359 HydrophobicContact CG-CD1 3.91Å; I322-L359 HydrophobicContact CD1-CB 4.23Å; I338-L359 HydrophobicContact CD1-CD1 3.77Å; L355-L359 WeakPolarHBondContact O-CB 3.47Å; L355-L359 PolarHBondContact O-N 2.82Å; T357-L359 VanDerWaalsContact C-N 3.34Å; T357-L359 PolarHBondContact O-N 3.48Å; L359-K361 VanDerWaalsContact C-N 3.34Å; L359-K361 PolarHBondContact O-N 3.4Å; L359-G362 PolarHBondContact O-N 3.42Å; L359-V363 HydrophobicContact CD1-CG2 4.06Å; L359-V363 WeakPolarHBondContact O-CG2 3.37Å; L359-V363 PolarHBondContact O-N 3.34Å; L359-I376 HydrophobicContact CD1-CD1 4.3Å; L359-I376 HydrophobicContact CD2-CD1 4.27Å; L359-I376 HydrophobicContact CD2-CG1 4.17Å; L359-I376 HydrophobicContact CD2-CG2 4.37Å; L359-I376 HydrophobicContact CG-CD1 4.45Å; L359-I376 HydrophobicContact CG-CG2 4.24Å; L359-P378 HydrophobicContact CD2-CB 4.3Å
360	R	98.6	Very high	98.1	Very high	81 Å²	81	37.8 Å²	37.8	31%	0.306	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-37	-175.8	-70.6	174.8	68.9	109.8	1	112	V356 T357 G364 T374 I376 M377	V356-R360 WeakPolarHBondContact O-CB 3.48Å; V356-R360 VanDerWaalsContact O-CG 3.27Å; V356-R360 WeakPolarHBondContact O-CG 3.39Å; V356-R360 PolarHBondContact O-N 3.26Å; T357-R360 PolarHBondContact O-N 2.81Å; R360-G364 WeakPolarHBondContact O-CA 3.33Å; R360-G364 PolarHBondContact O-N 3.29Å; R360-T374 HydrophobicContact CB-CG2 4.01Å; R360-T374 HydrophobicContact CG-CG2 4.06Å; R360-T374 VanDerWaalsContact CZ-O 3.28Å; R360-T374 PolarHBondContact NH1-O 2.85Å; R360-T374 PolarHBondContact NH2-O 3.34Å; R360-I376 HydrophobicContact CG-CG2 4.25Å; R360-M377 PolarHBondContact NH1-SD 3.36Å; R360-M377 VanDerWaalsContact NH1-SD 3.43Å
361	K	98.6	Very high	98.1	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-73.5	-35.3	177.5	-63.6	-58.6	-177.7	176.4	0	112.2	E183 R185 V188 C190 I331 T357 L359 L365 V371	E183-K361 WeakPolarHBondContact O-CE 3.25Å; E183-K361 PolarHBondContact O-NZ 3.23Å; R185-K361 PolarHBondContact O-NZ 2.95Å; V188-K361 WeakPolarHBondContact O-CE 3.5Å; V188-K361 PolarHBondContact O-NZ 3Å; C190-K361 HydrophobicContact CB-CB 4.18Å; I331-K361 HydrophobicContact CD1-CB 4.46Å; T357-K361 HydrophobicContact CG2-CG 3.99Å; T357-K361 WeakPolarHBondContact O-CB 3.49Å; T357-K361 WeakPolarHBondContact O-CG 3.43Å; T357-K361 PolarHBondContact O-N 3.37Å; L359-K361 VanDerWaalsContact C-N 3.34Å; L359-K361 PolarHBondContact O-N 3.4Å; K361-L365 PolarHBondContact O-N 2.85Å; K361-V371 HydrophobicContact CD-CG1 4.07Å; K361-V371 HydrophobicContact CD-CG2 4.14Å
362	G	98.4	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-55.3	170.9	0	0	0	0	0	112.6	F333 D358 L359 G364 L365	F333-G362 WeakPolarHBondContact CB-O 3.18Å; F333-G362 WeakPolarHBondContact CG-O 3.47Å; D358-G362 PolarHBondContact O-N 2.99Å; L359-G362 PolarHBondContact O-N 3.42Å; G362-G364 VanDerWaalsContact C-N 3.3Å; G362-G364 PolarHBondContact O-N 2.9Å; G362-L365 WeakPolarHBondContact O-CB 3.48Å; G362-L365 PolarHBondContact O-N 3.14Å; G362-L365 VanDerWaalsContact O-N 3.15Å
363	V	98.3	Very high	98	Very high	37 Å²	37	44.8 Å²	44.8	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-37.9	178.7	173.7	0	0	0	0	111.7	F320 F333 I338 L359 L365 I376	F320-V363 HydrophobicContact CD1-CG2 4.26Å; F320-V363 HydrophobicContact CE1-CG2 3.74Å; F320-V363 HydrophobicContact CZ-CG2 4.34Å; F333-V363 HydrophobicContact CE2-CG2 4.41Å; F333-V363 HydrophobicContact CZ-CG2 4.4Å; I338-V363 HydrophobicContact CD1-CG2 4.31Å; L359-V363 HydrophobicContact CD1-CG2 4.06Å; L359-V363 WeakPolarHBondContact O-CG2 3.37Å; L359-V363 PolarHBondContact O-N 3.34Å; V363-L365 PolarHBondContact O-N 3.5Å; V363-I376 HydrophobicContact CB-CG2 4.39Å; V363-I376 HydrophobicContact CG1-CG2 4.41Å; V363-I376 HydrophobicContact CG2-CD1 4.22Å; V363-I376 HydrophobicContact CG2-CG2 4.35Å
364	G	98	Very high	97.9	Very high	2 Å²	2	46 Å²	46	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4.3	178.6	0	0	0	0	0	114.7	R360 G362 S366 V371 K372	R360-G364 WeakPolarHBondContact O-CA 3.33Å; R360-G364 PolarHBondContact O-N 3.29Å; G362-G364 VanDerWaalsContact C-N 3.3Å; G362-G364 PolarHBondContact O-N 2.9Å; G364-S366 PolarHBondContact O-N 3.26Å; G364-V371 WeakPolarHBondContact O-CG1 3.36Å; G364-K372 PolarHBondContact O-N 2.95Å
365	L	97.7	Very high	97.8	Very high	43 Å²	43	53.3 Å²	53.3	23%	0.225	28%	0.279	C	S	.	.			trans	-55	131.4	-172.8	-176.7	60.8	0	0	0	111.5	I331 F333 K361 G362 V363	I331-L365 HydrophobicContact CG2-CD1 3.66Å; I331-L365 HydrophobicContact CG2-CD2 4.41Å; F333-L365 HydrophobicContact CB-CB 4.37Å; F333-L365 HydrophobicContact CB-CD2 3.99Å; K361-L365 PolarHBondContact O-N 2.85Å; G362-L365 WeakPolarHBondContact O-CB 3.48Å; G362-L365 PolarHBondContact O-N 3.14Å; G362-L365 VanDerWaalsContact O-N 3.15Å; V363-L365 PolarHBondContact O-N 3.5Å
366	S	96.5	Very high	97.7	Very high	17 Å²	17	53.7 Å²	53.7	12%	0.119	28%	0.281	C	S	.	.			trans	-143.3	154.1	-178.2	-167.4	0	0	0	0	111.7	K189 G364 T368 A370	K189-S366 PolarHBondContact NZ-O 2.73Å; K189-S366 VanDerWaalsContact NZ-O 3.11Å; G364-S366 PolarHBondContact O-N 3.26Å; S366-T368 VanDerWaalsContact C-N 3.28Å; S366-T368 WeakPolarHBondContact CB-OG1 3.04Å; S366-T368 PolarHBondContact OG-N 2.83Å; S366-T368 PolarHBondContact OG-OG1 2.96Å; S366-A370 WeakPolarHBondContact CB-O 3.37Å
367	N	95.6	Very high	97.6	Very high	149 Å²	149	55.8 Å²	55.8	80%	0.797	29%	0.29	S	S	*	.	S	Bend	trans	-88	2.2	170.6	-64.9	-21.9	0	0	0	112.3	P205	P205-N367 VanDerWaalsContact CB-O 3.22Å; P205-N367 WeakPolarHBondContact CB-O 3.4Å
368	T	97.1	Very high	97.6	Very high	80 Å²	80	55.7 Å²	55.7	49%	0.491	29%	0.289	S	S	.	.	S	Bend	trans	-90.7	173.8	175.1	57.2	0	0	0	0	111.6	S366 A370	S366-T368 VanDerWaalsContact C-N 3.28Å; S366-T368 WeakPolarHBondContact CB-OG1 3.04Å; S366-T368 PolarHBondContact OG-N 2.83Å; S366-T368 PolarHBondContact OG-OG1 2.96Å; T368-A370 PolarHBondContact O-N 2.86Å; T368-A370 PolarHBondContact OG1-O 3.08Å
369	K	96.1	Very high	97.5	Very high	117 Å²	117	59.7 Å²	59.7	51%	0.509	31%	0.307	S	S	.	.	S	Bend	trans	-71.2	-5.5	175.3	-64.5	-177	-66.8	177.6	0	115.1	T201	T201-K369 WeakPolarHBondContact O-CB 3.13Å; T201-K369 WeakPolarHBondContact O-CG 3.43Å; T201-K369 PolarHBondContact OG1-O 2.94Å
370	A	97.7	Very high	97.5	Very high	37 Å²	37	62.9 Å²	62.9	31%	0.306	32%	0.32	S	S	.	.	S	Bend	trans	-127.7	135.4	-179.5	0	0	0	0	0	109.8	D186 S366 T368	D186-A370 HydrophobicContact CB-CB 4.24Å; S366-A370 WeakPolarHBondContact CB-O 3.37Å; T368-A370 PolarHBondContact O-N 2.86Å; T368-A370 PolarHBondContact OG1-O 3.08Å
371	V	97.8	Very high	97.5	Very high	19 Å²	19	59 Å²	59	12%	0.115	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-68.2	138.7	167.6	175.1	0	0	0	0	109.3	D186 V188 K361 G364	D186-V371 WeakPolarHBondContact O-CG2 3.44Å; D186-V371 PolarHBondContact O-N 3.4Å; V188-V371 VanDerWaalsContact O-CG2 3.31Å; V188-V371 WeakPolarHBondContact O-CG2 3.5Å; K361-V371 HydrophobicContact CD-CG1 4.07Å; K361-V371 HydrophobicContact CD-CG2 4.14Å; G364-V371 WeakPolarHBondContact O-CG1 3.36Å
372	K	98.1	Very high	97.5	Very high	124 Å²	124	59.4 Å²	59.4	54%	0.539	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-66.1	133	178.7	-67.6	173	-177.6	172.5	0	110.1	G364	G364-K372 PolarHBondContact O-N 2.95Å
373	P	97.2	Very high	97.5	Very high	132 Å²	132	63.7 Å²	63.7	86%	0.857	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-65.2	139.7	177	27.8	-34	0	0	0	110.2
374	T	96.7	Very high	97.5	Very high	34 Å²	34	62 Å²	62	21%	0.209	32%	0.315	C	S	.	.			trans	-141.3	151	176	-179.6	0	0	0	0	110.4	R360 I376	R360-T374 HydrophobicContact CB-CG2 4.01Å; R360-T374 HydrophobicContact CG-CG2 4.06Å; R360-T374 VanDerWaalsContact CZ-O 3.28Å; R360-T374 PolarHBondContact NH1-O 2.85Å; R360-T374 PolarHBondContact NH2-O 3.34Å; T374-I376 HydrophobicContact CG2-CG2 3.81Å; T374-I376 VanDerWaalsContact OG1-CG2 3.27Å; T374-I376 WeakPolarHBondContact OG1-CG2 3.21Å; T374-I376 PolarHBondContact OG1-N 2.6Å; T374-I376 VanDerWaalsContact OG1-N 3.16Å
375	K	96.7	Very high	97.6	Very high	197 Å²	197	62.9 Å²	62.9	86%	0.857	32%	0.319	S	S	*	.			trans	-103.1	2.2	173.8	-60.5	-177.3	-176.5	179.7	0	112.3
376	I	97.4	Very high	97.6	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.041	31%	0.308	C	S	.	.			trans	-61.4	137.4	178.8	-161.6	173.4	0	0	0	110.4	T313 E315 F320 L359 R360 V363 T374	T313-I376 HydrophobicContact CG2-CD1 4.11Å; T313-I376 HydrophobicContact CG2-CG1 4.4Å; E315-I376 HydrophobicContact CB-CD1 4.06Å; E315-I376 HydrophobicContact CB-CG1 4.26Å; F320-I376 HydrophobicContact CD2-CD1 4.23Å; F320-I376 HydrophobicContact CE2-CD1 3.75Å; F320-I376 HydrophobicContact CZ-CD1 3.93Å; L359-I376 HydrophobicContact CD1-CD1 4.3Å; L359-I376 HydrophobicContact CD2-CD1 4.27Å; L359-I376 HydrophobicContact CD2-CG1 4.17Å; L359-I376 HydrophobicContact CD2-CG2 4.37Å; L359-I376 HydrophobicContact CG-CD1 4.45Å; L359-I376 HydrophobicContact CG-CG2 4.24Å; R360-I376 HydrophobicContact CG-CG2 4.25Å; V363-I376 HydrophobicContact CB-CG2 4.39Å; V363-I376 HydrophobicContact CG1-CG2 4.41Å; V363-I376 HydrophobicContact CG2-CD1 4.22Å; V363-I376 HydrophobicContact CG2-CG2 4.35Å; T374-I376 HydrophobicContact CG2-CG2 3.81Å; T374-I376 VanDerWaalsContact OG1-CG2 3.27Å; T374-I376 WeakPolarHBondContact OG1-CG2 3.21Å; T374-I376 PolarHBondContact OG1-N 2.6Å; T374-I376 VanDerWaalsContact OG1-N 3.16Å
377	M	97.8	Very high	97.7	Very high	72 Å²	72	62.5 Å²	62.5	36%	0.355	31%	0.314	S	S	.	.			trans	-136.7	143.9	175.4	-65	-63.2	-67	0	0	109.3	T313 T314 V356 R360	T313-M377 CarbonylContact C-O 3.56Å; T313-M377 WeakPolarHBondContact CA-O 3.41Å; T314-M377 HydrophobicContact CG2-CB 3.96Å; T314-M377 PolarHBondContact N-O 2.99Å; T314-M377 PolarHBondContact OG1-N 3.11Å; T314-M377 PolarHBondContact OG1-O 3.09Å; V356-M377 HydrophobicContact CG1-CE 3.69Å; V356-M377 HydrophobicContact CG1-SD 4.05Å; V356-M377 HydrophobicContact CG2-CE 4.4Å; R360-M377 PolarHBondContact NH1-SD 3.36Å; R360-M377 VanDerWaalsContact NH1-SD 3.43Å
378	P	97.9	Very high	97.8	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.2	167.6	32.2	-33	0	0	0	109.5	F293 L311 V356 L359	F293-P378 HydrophobicContact CD1-CB 3.79Å; F293-P378 HydrophobicContact CD1-CG 3.61Å; F293-P378 HydrophobicContact CD2-CG 4.42Å; F293-P378 HydrophobicContact CE1-CB 3.71Å; F293-P378 HydrophobicContact CE1-CG 3.85Å; F293-P378 HydrophobicContact CG-CG 3.93Å; F293-P378 HydrophobicContact CZ-CB 4.45Å; F293-P378 HydrophobicContact CZ-CG 4.35Å; F293-P378 WeakPolarHBondContact CZ-O 3.3Å; L311-P378 HydrophobicContact CD1-CB 4.39Å; V356-P378 HydrophobicContact CB-CG 4.41Å; V356-P378 HydrophobicContact CG2-CG 3.64Å; L359-P378 HydrophobicContact CD2-CB 4.3Å
379	K	97.6	Very high	97.9	Very high	85 Å²	85	56.7 Å²	56.7	37%	0.37	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-33.6	173.7	-71.3	-179.8	171.7	170.5	0	111.9	T290 E312 T314 N317	T290-K379 WeakPolarHBondContact CA-O 3.31Å; E312-K379 PolarHBondContact O-N 3.26Å; T314-K379 HydrophobicContact CG2-CD 4.36Å; T314-K379 HydrophobicContact CG2-CG 3.95Å; N317-K379 PolarHBondContact OD1-NZ 2.95Å
380	K	98.4	Very high	98	Very high	67 Å²	67	51.1 Å²	51.1	29%	0.291	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	130.7	-176	-170.7	174.3	-179.8	177.5	0	111.1	N289 T290 L311 E312 V382	N289-K380 CarbonylContact O-C 3.55Å; N289-K380 WeakPolarHBondContact O-CA 3.48Å; N289-K380 WeakPolarHBondContact O-CG 3.43Å; T290-K380 HydrophobicContact CG2-CB 4.05Å; T290-K380 HydrophobicContact CG2-CD 4.06Å; T290-K380 HydrophobicContact CG2-CG 3.78Å; L311-K380 WeakPolarHBondContact CA-O 3.28Å; E312-K380 HydrophobicContact CB-CB 3.97Å; E312-K380 PolarHBondContact N-O 3.33Å; E312-K380 PolarHBondContact O-N 3.48Å; K380-V382 HydrophobicContact CG-CG2 4.45Å; K380-V382 PolarHBondContact O-N 2.91Å
381	V	98.6	Very high	98.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	102.2	165.2	-171.1	0	0	0	0	107.1	L287 G288 N289 F293 V309 L311 L355 I397	L287-V381 HydrophobicContact CB-CG1 4.5Å; L287-V381 HydrophobicContact CD1-CG1 3.77Å; G288-V381 CarbonylContact C-O 3.6Å; G288-V381 VanDerWaalsContact CA-O 3.26Å; G288-V381 WeakPolarHBondContact CA-O 3.41Å; G288-V381 PolarHBondContact N-O 3.4Å; N289-V381 HydrophobicContact CB-CB 4.35Å; N289-V381 PolarHBondContact N-O 2.87Å; N289-V381 PolarHBondContact O-N 3.4Å; F293-V381 HydrophobicContact CD1-CG2 3.73Å; F293-V381 HydrophobicContact CE1-CG2 4.13Å; V309-V381 HydrophobicContact CG1-CG1 3.68Å; L311-V381 HydrophobicContact CD2-CB 4.37Å; L311-V381 HydrophobicContact CD2-CG1 4.26Å; L311-V381 HydrophobicContact CD2-CG2 4.1Å; L355-V381 HydrophobicContact CD1-CG1 4.1Å; L355-V381 HydrophobicContact CD1-CG2 3.69Å; V381-I397 HydrophobicContact CB-CD1 3.87Å; V381-I397 HydrophobicContact CG1-CD1 3.76Å; V381-I397 HydrophobicContact CG2-CD1 4.17Å
382	V	98.3	Very high	98.1	Very high	19 Å²	19	49.8 Å²	49.8	12%	0.115	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-60	-169	-179.6	0	0	0	0	110.3	Q286 L287 G288 V310 E312 L319 K380	Q286-V382 PolarHBondContact NE2-O 3.33Å; L287-V382 PolarHBondContact N-O 3.44Å; G288-V382 PolarHBondContact N-O 2.97Å; V310-V382 HydrophobicContact CB-CB 4.23Å; V310-V382 HydrophobicContact CG1-CB 4.17Å; V310-V382 HydrophobicContact CG1-CG2 4.41Å; V310-V382 WeakPolarHBondContact O-CB 3.49Å; V310-V382 PolarHBondContact O-N 3.48Å; E312-V382 HydrophobicContact CB-CG2 4.21Å; L319-V382 HydrophobicContact CD2-CG2 4.24Å; K380-V382 HydrophobicContact CG-CG2 4.45Å; K380-V382 PolarHBondContact O-N 2.91Å
383	R	98.3	Very high	98	Very high	91 Å²	91	43.9 Å²	43.9	34%	0.343	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.5	-174.8	63.8	-173.8	-176.9	-108.5	-1.4	111.6	S284 L285 V310 I385	S284-R383 WeakPolarHBondContact OG-CD 3.33Å; L285-R383 CarbonylContact O-C 3.49Å; L285-R383 WeakPolarHBondContact O-CA 3.28Å; L285-R383 WeakPolarHBondContact O-CB 3.36Å; V310-R383 HydrophobicContact CB-CG 4.03Å; V310-R383 HydrophobicContact CG2-CG 3.94Å; V310-R383 PolarHBondContact N-O 3.11Å; R383-I385 HydrophobicContact CG-CG1 4.45Å
384	L	98.6	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	144	168.9	179.1	150.1	0	0	0	109.5	W251 S284 L285 L287 I295 F297 V307 S308 L392 I395	W251-L384 HydrophobicContact CH2-CD2 4.15Å; S284-L384 CarbonylContact C-O 3.58Å; S284-L384 WeakPolarHBondContact CA-O 3.3Å; S284-L384 WeakPolarHBondContact CB-O 3.45Å; S284-L384 PolarHBondContact OG-O 2.82Å; L285-L384 PolarHBondContact N-O 3.26Å; L285-L384 PolarHBondContact O-N 2.8Å; L287-L384 HydrophobicContact CD1-CB 3.93Å; I295-L384 HydrophobicContact CD1-CD1 3.97Å; F297-L384 HydrophobicContact CD1-CD1 4.14Å; F297-L384 HydrophobicContact CE1-CD1 4.35Å; V307-L384 HydrophobicContact CG1-CD1 3.64Å; V307-L384 HydrophobicContact CG1-CD2 4.01Å; V307-L384 HydrophobicContact CG1-CG 3.75Å; S308-L384 CarbonylContact O-C 3.57Å; S308-L384 WeakPolarHBondContact O-CA 3.3Å; L384-L392 HydrophobicContact CD2-CD1 4.2Å; L384-I395 HydrophobicContact CD1-CG2 4.28Å
385	I	98.8	Very high	98	Very high	22 Å²	22	38.9 Å²	38.9	11%	0.113	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.7	179.6	-56.2	167	0	0	0	108.6	E281 V283 V307 S308 V310 R383	E281-I385 WeakPolarHBondContact O-CG2 3.41Å; V283-I385 CarbonylContact O-C 3.5Å; V283-I385 WeakPolarHBondContact O-CA 3.46Å; V307-I385 CarbonylContact C-O 3.44Å; V307-I385 WeakPolarHBondContact CA-O 3.44Å; S308-I385 PolarHBondContact N-O 2.68Å; S308-I385 PolarHBondContact O-N 2.98Å; V310-I385 HydrophobicContact CG2-CD1 3.78Å; R383-I385 HydrophobicContact CG-CG1 4.45Å
386	A	98.7	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.9	175.2	0	0	0	0	0	111.5	F274 G282 V283 L392	F274-A386 HydrophobicContact CD1-CB 4.41Å; F274-A386 HydrophobicContact CD2-CB 3.97Å; F274-A386 HydrophobicContact CE2-CB 4.07Å; F274-A386 HydrophobicContact CG-CB 4.15Å; F274-A386 HydrophobicContact CZ-CB 4.34Å; G282-A386 WeakPolarHBondContact CA-O 3.31Å; V283-A386 HydrophobicContact CG2-CB 3.85Å; V283-A386 PolarHBondContact N-O 2.84Å; V283-A386 PolarHBondContact O-N 2.68Å; A386-L392 HydrophobicContact CB-CD1 3.9Å
387	K	98.8	Very high	98.2	Very high	52 Å²	52	30.2 Å²	30.2	23%	0.226	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.1	175	-63	-171	-179.5	-160.3	0	110.3	E278 S280 E281 G305 S306	E278-K387 PolarHBondContact O-NZ 3.15Å; S280-K387 VanDerWaalsContact O-CE 3.23Å; S280-K387 WeakPolarHBondContact O-CE 3.33Å; S280-K387 PolarHBondContact O-NZ 3.38Å; E281-K387 WeakPolarHBondContact O-CE 3.46Å; G305-K387 CarbonylContact C-O 3.5Å; G305-K387 WeakPolarHBondContact CA-O 3.45Å; S306-K387 PolarHBondContact N-O 3.09Å; S306-K387 PolarHBondContact O-N 2.95Å
388	G	98.4	Very high	98.2	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.7	-157.7	-172.7	0	0	0	0	0	112	A276 N304	A276-G388 PolarHBondContact N-O 2.78Å; A276-G388 WeakPolarHBondContact O-CA 3.38Å; A276-G388 PolarHBondContact O-N 3.21Å; N304-G388 WeakPolarHBondContact O-CA 3.41Å
389	K	98.7	Very high	98.3	Very high	103 Å²	103	30 Å²	30	45%	0.448	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.6	175.5	-57.7	-177.3	-178.4	177	0	109.2	F274 I275 L302 T303	F274-K389 WeakPolarHBondContact O-CA 3.39Å; I275-K389 HydrophobicContact CB-CG 4.45Å; I275-K389 HydrophobicContact CG1-CG 4.3Å; I275-K389 HydrophobicContact CG2-CD 4.35Å; I275-K389 HydrophobicContact CG2-CG 4.06Å; L302-K389 HydrophobicContact CB-CB 4.28Å; L302-K389 PolarHBondContact N-O 3.09Å; T303-K389 HydrophobicContact CG2-CB 4.19Å; T303-K389 HydrophobicContact CG2-CD 4.11Å; T303-K389 HydrophobicContact CG2-CG 4.35Å; T303-K389 PolarHBondContact N-O 2.86Å; T303-K389 PolarHBondContact OG1-N 3.33Å; T303-K389 VanDerWaalsContact OG1-N 3.1Å
390	G	98.4	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-161.5	-179	0	0	0	0	0	113.6	Q273 F274 K300	Q273-G390 WeakPolarHBondContact CA-O 3.49Å; F274-G390 WeakPolarHBondContact CD1-O 3.41Å; F274-G390 PolarHBondContact N-O 3.31Å; F274-G390 PolarHBondContact O-N 3.14Å; F274-G390 VanDerWaalsContact O-N 3.09Å; K300-G390 CarbonylContact O-C 3.52Å; K300-G390 WeakPolarHBondContact O-CA 3.5Å
391	F	98.5	Very high	98.3	Very high	27 Å²	27	25.4 Å²	25.4	12%	0.118	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.9	-179.9	-50.5	-84.9	0	0	0	110.1	V262 V271 K272 Q273 K300 L302 W348	V262-F391 HydrophobicContact CG2-CD1 4.1Å; V262-F391 HydrophobicContact CG2-CE1 3.9Å; V271-F391 HydrophobicContact CG2-CB 4.2Å; V271-F391 HydrophobicContact CG2-CD1 3.8Å; V271-F391 HydrophobicContact CG2-CG 4.29Å; K272-F391 CarbonylContact O-C 3.46Å; K272-F391 VanDerWaalsContact O-CA 3.28Å; K272-F391 WeakPolarHBondContact O-CA 3.43Å; Q273-F391 HydrophobicContact CB-CD1 3.84Å; Q273-F391 HydrophobicContact CB-CE1 3.85Å; Q273-F391 HydrophobicContact CG-CD1 4Å; Q273-F391 HydrophobicContact CG-CE1 3.67Å; Q273-F391 HydrophobicContact CG-CZ 4.49Å; K300-F391 HydrophobicContact CB-CD2 4.39Å; K300-F391 HydrophobicContact CD-CD2 4.34Å; K300-F391 HydrophobicContact CG-CD2 4.44Å; K300-F391 PolarHBondContact N-O 3.38Å; K300-F391 VanDerWaalsContact N-O 3.1Å; K300-F391 PolarHBondContact O-N 2.74Å; L302-F391 HydrophobicContact CD1-CE2 3.79Å; L302-F391 HydrophobicContact CD1-CZ 4.02Å; L302-F391 HydrophobicContact CD2-CE2 3.93Å; L302-F391 HydrophobicContact CG-CE2 3.85Å; W348-F391 HydrophobicContact CH2-CB 3.39Å; W348-F391 HydrophobicContact CH2-CG 4.44Å; W348-F391 HydrophobicContact CZ2-CB 3.67Å; W348-F391 HydrophobicContact CZ2-CG 4.27Å; W348-F391 HydrophobicContact CZ3-CB 4.33Å
392	L	98	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.3	171.9	-78.9	167.7	0	0	0	109.5	W251 K272 F274 F297 D298 L299 V307 L384 A386 I395	W251-L392 HydrophobicContact CH2-CD1 4.22Å; K272-L392 WeakPolarHBondContact CA-O 3.24Å; K272-L392 HydrophobicContact CB-CB 4.46Å; K272-L392 VanDerWaalsContact CB-O 3.31Å; K272-L392 WeakPolarHBondContact CB-O 3.25Å; K272-L392 PolarHBondContact N-O 2.82Å; K272-L392 PolarHBondContact O-N 2.91Å; F274-L392 HydrophobicContact CD1-CD1 4.17Å; F274-L392 HydrophobicContact CD1-CG 4.18Å; F274-L392 HydrophobicContact CE1-CD1 4.14Å; F274-L392 HydrophobicContact CE1-CG 3.88Å; F297-L392 HydrophobicContact CB-CD2 4.3Å; F297-L392 HydrophobicContact CD2-CD2 3.78Å; F297-L392 HydrophobicContact CG-CD2 4.27Å; D298-L392 WeakPolarHBondContact O-CA 3.32Å; L299-L392 HydrophobicContact CB-CD2 4.47Å; L299-L392 HydrophobicContact CD1-CD2 3.83Å; L299-L392 HydrophobicContact CD1-CG 4.42Å; V307-L392 HydrophobicContact CG2-CD2 4.27Å; L384-L392 HydrophobicContact CD2-CD1 4.2Å; A386-L392 HydrophobicContact CB-CD1 3.9Å; L392-I395 HydrophobicContact CB-CD1 4.45Å; L392-I395 HydrophobicContact CD1-CD1 4.43Å
393	D	96.9	Very high	98.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	165.1	171.8	-169.9	21.5	0	0	0	110.4	T269 V271 D298 I395	T269-D393 WeakPolarHBondContact CG2-OD2 3.34Å; V271-D393 HydrophobicContact CB-CB 4.36Å; V271-D393 HydrophobicContact CG1-CB 4.01Å; D298-D393 HydrophobicContact CB-CB 4.09Å; D298-D393 PolarHBondContact N-O 2.99Å; D298-D393 PolarHBondContact O-N 3.28Å; D393-I395 VanDerWaalsContact C-N 3.35Å; D393-I395 PolarHBondContact O-N 3.23Å
394	N	96.4	Very high	98.4	Very high	60 Å²	60	24.9 Å²	24.9	32%	0.321	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.1	49.4	174.5	-60.8	-54.3	0	0	0	113.7	E237 D298 T396	E237-N394 WeakPolarHBondContact O-CA 3.16Å; E237-N394 PolarHBondContact O-N 3.45Å; D298-N394 PolarHBondContact OD2-ND2 3.43Å; N394-T396 PolarHBondContact O-N 3.22Å
395	I	98	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	116.8	178.3	-54.8	178.1	0	0	0	108.4	Y236 E237 W251 L285 L287 S296 F297 L384 L392 D393	Y236-I395 PolarHBondContact N-O 3.48Å; E237-I395 HydrophobicContact CB-CB 4.11Å; E237-I395 HydrophobicContact CB-CD1 3.99Å; E237-I395 HydrophobicContact CB-CG1 4.11Å; E237-I395 HydrophobicContact CG-CD1 4.38Å; E237-I395 PolarHBondContact O-N 3.16Å; W251-I395 HydrophobicContact CH2-CD1 4.19Å; W251-I395 HydrophobicContact CZ2-CD1 3.86Å; L285-I395 HydrophobicContact CD2-CD1 3.76Å; L285-I395 HydrophobicContact CD2-CG2 4.31Å; L287-I395 HydrophobicContact CD2-CG2 4.49Å; S296-I395 WeakPolarHBondContact O-CA 3.45Å; F297-I395 HydrophobicContact CB-CG1 4.07Å; L384-I395 HydrophobicContact CD1-CG2 4.28Å; L392-I395 HydrophobicContact CB-CD1 4.45Å; L392-I395 HydrophobicContact CD1-CD1 4.43Å; D393-I395 VanDerWaalsContact C-N 3.35Å; D393-I395 PolarHBondContact O-N 3.23Å
396	T	98.3	Very high	98.4	Very high	23 Å²	23	24.3 Å²	24.3	14%	0.141	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	154	-175.3	60.5	0	0	0	0	112.3	I233 E234 V235 I295 S296 N394	I233-T396 HydrophobicContact CG2-CG2 4.4Å; E234-T396 CarbonylContact O-C 3.25Å; E234-T396 WeakPolarHBondContact O-CA 3.4Å; V235-T396 HydrophobicContact CB-CG2 4.3Å; V235-T396 HydrophobicContact CG1-CG2 4.2Å; V235-T396 HydrophobicContact CG2-CG2 3.92Å; I295-T396 WeakPolarHBondContact CA-O 3.45Å; S296-T396 WeakPolarHBondContact CB-OG1 3.32Å; S296-T396 PolarHBondContact N-O 3.31Å; S296-T396 PolarHBondContact O-N 3.19Å; S296-T396 PolarHBondContact O-OG1 3.44Å; N394-T396 PolarHBondContact O-N 3.22Å
397	I	98.8	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.9	164.7	-59.7	176.2	0	0	0	108.3	E234 Y236 L287 N289 D292 I294 I295 V381	E234-I397 PolarHBondContact N-O 3.46Å; E234-I397 PolarHBondContact O-N 3.1Å; Y236-I397 HydrophobicContact CD2-CG1 4.36Å; Y236-I397 HydrophobicContact CE2-CB 3.95Å; Y236-I397 HydrophobicContact CE2-CD1 3.77Å; Y236-I397 HydrophobicContact CE2-CG1 3.74Å; L287-I397 HydrophobicContact CB-CD1 4.29Å; L287-I397 HydrophobicContact CD1-CD1 4.19Å; N289-I397 HydrophobicContact CB-CD1 3.69Å; N289-I397 HydrophobicContact CB-CG2 4.37Å; D292-I397 HydrophobicContact CB-CG2 3.69Å; D292-I397 VanDerWaalsContact O-CG2 3.24Å; D292-I397 WeakPolarHBondContact O-CG2 3.45Å; I294-I397 CarbonylContact O-C 3.44Å; I294-I397 VanDerWaalsContact O-CA 3.29Å; I294-I397 WeakPolarHBondContact O-CA 3.37Å; I295-I397 HydrophobicContact CG1-CG1 4.27Å; V381-I397 HydrophobicContact CB-CD1 3.87Å; V381-I397 HydrophobicContact CG1-CD1 3.76Å; V381-I397 HydrophobicContact CG2-CD1 4.17Å
398	S	98.6	Very high	98.4	Very high	10 Å²	10	25.4 Å²	25.4	7%	0.07	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.2	-177.5	-51.9	0	0	0	0	112.5	H232 I294	H232-S398 CarbonylContact O-C 3.57Å; H232-S398 WeakPolarHBondContact O-CA 3.24Å; I294-S398 VanDerWaalsContact CB-O 3.25Å; I294-S398 WeakPolarHBondContact CB-O 3.31Å; I294-S398 WeakPolarHBondContact CG1-O 3.45Å; I294-S398 PolarHBondContact N-O 3.33Å; I294-S398 PolarHBondContact O-N 3.14Å
399	T	98.6	Very high	98.5	Very high	65 Å²	65	25.2 Å²	25.2	40%	0.399	14%	0.144	S	C	.	.	S	Bend	trans	-63.3	-45.7	172.9	-44.6	0	0	0	0	111.1	H232 D292 I294	H232-T399 PolarHBondContact N-OG1 2.95Å; H232-T399 VanDerWaalsContact N-OG1 3.1Å; H232-T399 PolarHBondContact O-N 3.49Å; D292-T399 WeakPolarHBondContact OD1-CA 3.47Å; D292-T399 VanDerWaalsContact OD1-CB 3.22Å; D292-T399 WeakPolarHBondContact OD1-CB 3.28Å; D292-T399 PolarHBondContact OD1-N 3.06Å; D292-T399 PolarHBondContact OD1-OG1 3.2Å; I294-T399 WeakPolarHBondContact CG1-O 3.27Å
400	T	98.7	Very high	98.5	Very high	26 Å²	26	20.3 Å²	20.3	16%	0.16	12%	0.123	C	C	.	.			trans	-144	156.9	177.8	66.8	0	0	0	0	110.1	H402	T400-H402 VanDerWaalsContact CB-NE2 3.32Å; T400-H402 WeakPolarHBondContact CB-NE2 3.35Å; T400-H402 WeakPolarHBondContact CG2-NE2 3.38Å; T400-H402 PolarHBondContact OG1-CD2 2.82Å; T400-H402 PolarHBondContact OG1-NE2 2.7Å
401	A	98.7	Very high	98.5	Very high	31 Å²	31	23.2 Å²	23.2	26%	0.256	14%	0.139	S	C	.	.			trans	-137.4	56.6	171.7	0	0	0	0	0	110.3	I294 T352 M403 A404 A405	I294-A401 HydrophobicContact CG2-CB 3.66Å; T352-A401 HydrophobicContact CG2-CB 3.7Å; A401-M403 VanDerWaalsContact C-N 3.34Å; A401-M403 PolarHBondContact O-N 3.1Å; A401-A404 HydrophobicContact CB-CB 4.25Å; A401-A404 PolarHBondContact O-N 3.38Å; A401-A405 PolarHBondContact O-N 2.99Å
402	H	98.9	Very high	98.5	Very high	13 Å²	13	22.5 Å²	22.5	6%	0.06	14%	0.135	C	C	.	.	H	α-helix	trans	-57.4	-42.5	-171.2	-65.2	-57.6	0	0	0	113.9	H221 K224 N225 E228 T400 A404 A405 F406	H221-H402 HydrophobicContact CB-CB 4.13Å; H221-H402 WeakPolarHBondContact CB-O 3.28Å; H221-H402 AromaticContact CE1-ND1 3.98Å; H221-H402 AromaticContact CG-ND1 3.92Å; H221-H402 AromaticContact ND1-CG 3.99Å; H221-H402 AromaticContact ND1-ND1 3.15Å; H221-H402 PolarHBondContact ND1-ND1 3.23Å; H221-H402 VanDerWaalsContact ND1-ND1 3.15Å; H221-H402 WeakPolarHBondContact O-CB 3.47Å; K224-H402 VanDerWaalsContact CB-CE1 3.45Å; K224-H402 WeakPolarHBondContact CB-CE1 3.45Å; N225-H402 HydrophobicContact CB-CB 3.8Å; E228-H402 IonicContact OE2-CE1 2.68Å; E228-H402 IonicContact OE2-NE2 3.88Å; E228-H402 PolarHBondContact OE2-NE2 2.85Å; E228-H402 VanDerWaalsContact OE2-NE2 3.11Å; T400-H402 VanDerWaalsContact CB-NE2 3.32Å; T400-H402 WeakPolarHBondContact CB-NE2 3.35Å; T400-H402 WeakPolarHBondContact CG2-NE2 3.38Å; T400-H402 PolarHBondContact OG1-CD2 2.82Å; T400-H402 PolarHBondContact OG1-NE2 2.7Å; H402-A404 VanDerWaalsContact C-N 3.31Å; H402-A404 PolarHBondContact O-N 3.31Å; H402-A405 PolarHBondContact O-N 3.17Å; H402-F406 PolarHBondContact O-N 2.92Å
403	M	98.8	Very high	98.6	Very high	45 Å²	45	22.5 Å²	22.5	22%	0.222	14%	0.135	C	C	.	.	H	α-helix	trans	-67.6	-31.2	-178.7	-65.4	-49.5	-58.9	0	0	113	N225 A401 F406 F407 L461	N225-M403 HydrophobicContact CB-SD 3.92Å; N225-M403 VanDerWaalsContact CG-SD 3.54Å; N225-M403 WeakPolarHBondContact OD1-CG 3.45Å; A401-M403 VanDerWaalsContact C-N 3.34Å; A401-M403 PolarHBondContact O-N 3.1Å; M403-F406 HydrophobicContact CE-CB 4.41Å; M403-F406 HydrophobicContact CE-CD1 3.52Å; M403-F406 HydrophobicContact CE-CE1 4.17Å; M403-F406 HydrophobicContact CE-CG 4.24Å; M403-F406 PolarHBondContact O-N 3.2Å; M403-F407 HydrophobicContact CE-CD2 4.23Å; M403-F407 HydrophobicContact CE-CE2 3.64Å; M403-F407 HydrophobicContact CE-CZ 4.19Å; M403-F407 WeakPolarHBondContact O-CD2 3.45Å; M403-F407 PolarHBondContact O-N 3.32Å; M403-L461 HydrophobicContact CE-CD1 3.3Å
404	A	98.8	Very high	98.7	Very high	41 Å²	41	24.2 Å²	24.2	34%	0.339	15%	0.146	S	C	.	.	H	α-helix	trans	-64.5	-43.6	173.4	0	0	0	0	0	111.3	T352 A401 H402 A408	T352-A404 HydrophobicContact CG2-CB 4.16Å; A401-A404 HydrophobicContact CB-CB 4.25Å; A401-A404 PolarHBondContact O-N 3.38Å; H402-A404 VanDerWaalsContact C-N 3.31Å; H402-A404 PolarHBondContact O-N 3.31Å; A404-A408 WeakPolarHBondContact O-CB 3.31Å; A404-A408 PolarHBondContact O-N 3.12Å
405	A	98.9	Very high	98.8	Very high	9 Å²	9	28 Å²	28	7%	0.074	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-40.3	174.7	0	0	0	0	0	112.6	Y217 H221 A401 H402 A409	Y217-A405 HydrophobicContact CE1-CB 3.66Å; Y217-A405 HydrophobicContact CE2-CB 4.43Å; Y217-A405 WeakPolarHBondContact OH-CB 3.46Å; H221-A405 HydrophobicContact CB-CB 3.93Å; H221-A405 VanDerWaalsContact CG-CB 3.47Å; A401-A405 PolarHBondContact O-N 2.99Å; H402-A405 PolarHBondContact O-N 3.17Å; A405-A409 PolarHBondContact O-N 3.23Å
406	F	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-51	175.4	172	-106	0	0	0	112	G218 Y222 H402 M403 A409 S410 T454 R457 A458 L461	G218-F406 WeakPolarHBondContact O-CD2 3.35Å; Y222-F406 HydrophobicContact CD2-CD1 4.16Å; Y222-F406 AromaticContact CD2-CD2 3.89Å; Y222-F406 HydrophobicContact CD2-CD2 3.89Å; Y222-F406 AromaticContact CD2-CE1 3.99Å; Y222-F406 HydrophobicContact CD2-CE1 3.99Å; Y222-F406 AromaticContact CD2-CE2 3.7Å; Y222-F406 HydrophobicContact CD2-CE2 3.7Å; Y222-F406 HydrophobicContact CD2-CG 4.09Å; Y222-F406 AromaticContact CD2-CZ 3.75Å; Y222-F406 HydrophobicContact CD2-CZ 3.75Å; Y222-F406 HydrophobicContact CE2-CE1 4.42Å; Y222-F406 HydrophobicContact CE2-CZ 4.22Å; Y222-F406 HydrophobicContact CG-CD2 4.21Å; Y222-F406 HydrophobicContact CG-CE2 4.16Å; H402-F406 PolarHBondContact O-N 2.92Å; M403-F406 HydrophobicContact CE-CB 4.41Å; M403-F406 HydrophobicContact CE-CD1 3.52Å; M403-F406 HydrophobicContact CE-CE1 4.17Å; M403-F406 HydrophobicContact CE-CG 4.24Å; M403-F406 PolarHBondContact O-N 3.2Å; F406-A409 WeakPolarHBondContact O-CB 3.15Å; F406-A409 PolarHBondContact O-N 3.05Å; F406-S410 PolarHBondContact O-N 2.68Å; F406-S410 PolarHBondContact O-OG 2.78Å; F406-S410 VanDerWaalsContact O-OG 3.06Å; F406-T454 HydrophobicContact CD2-CG2 4.43Å; F406-T454 HydrophobicContact CE2-CG2 3.89Å; F406-T454 WeakPolarHBondContact CZ-O 3.47Å; F406-R457 HydrophobicContact CE2-CB 4.07Å; F406-R457 HydrophobicContact CZ-CB 3.67Å; F406-A458 HydrophobicContact CE1-CB 3.99Å; F406-A458 HydrophobicContact CZ-CB 3.92Å; F406-L461 HydrophobicContact CD1-CD1 4.42Å; F406-L461 HydrophobicContact CE1-CD1 3.92Å
407	F	98.9	Very high	98.8	Very high	54 Å²	54	30.8 Å²	30.8	24%	0.237	17%	0.169	C	C	.	.	H	α-helix	trans	-68.8	-34.5	179.9	-76.5	-63.3	0	0	0	112.8	M403 A409 S410 D411 A458 L461 T462	M403-F407 HydrophobicContact CE-CD2 4.23Å; M403-F407 HydrophobicContact CE-CE2 3.64Å; M403-F407 HydrophobicContact CE-CZ 4.19Å; M403-F407 WeakPolarHBondContact O-CD2 3.45Å; M403-F407 PolarHBondContact O-N 3.32Å; F407-A409 VanDerWaalsContact C-N 3.26Å; F407-A409 PolarHBondContact O-N 3.41Å; F407-S410 PolarHBondContact O-N 3.29Å; F407-D411 WeakPolarHBondContact O-CB 3.39Å; F407-D411 PolarHBondContact O-N 3.2Å; F407-A458 HydrophobicContact CE1-CB 4.34Å; F407-L461 HydrophobicContact CZ-CB 4.44Å; F407-L461 HydrophobicContact CZ-CD1 4.15Å; F407-T462 HydrophobicContact CE1-CG2 3.59Å; F407-T462 HydrophobicContact CZ-CG2 3.66Å
408	A	98.9	Very high	98.8	Very high	22 Å²	22	32 Å²	32	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-42.6	171.3	0	0	0	0	0	111.9	V197 A404 W412	V197-A408 VanDerWaalsContact CG1-C 3.48Å; V197-A408 HydrophobicContact CG1-CB 4.14Å; V197-A408 VanDerWaalsContact CG1-O 3.28Å; V197-A408 WeakPolarHBondContact CG1-O 3.39Å; A404-A408 WeakPolarHBondContact O-CB 3.31Å; A404-A408 PolarHBondContact O-N 3.12Å; A408-W412 VanDerWaalsContact O-CB 3.27Å; A408-W412 WeakPolarHBondContact O-CB 3.42Å; A408-W412 PolarHBondContact O-N 3.35Å; A408-W412 VanDerWaalsContact O-N 3.1Å
409	A	98.9	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-48	174.6	0	0	0	0	0	112.5	V197 I214 Y217 A405 F406 F407 D411 W412 L413	V197-A409 HydrophobicContact CG1-CB 4.43Å; I214-A409 HydrophobicContact CG2-CB 3.92Å; I214-A409 WeakPolarHBondContact O-CB 3.41Å; Y217-A409 HydrophobicContact CD1-CB 4.48Å; A405-A409 PolarHBondContact O-N 3.23Å; F406-A409 WeakPolarHBondContact O-CB 3.15Å; F406-A409 PolarHBondContact O-N 3.05Å; F407-A409 VanDerWaalsContact C-N 3.26Å; F407-A409 PolarHBondContact O-N 3.41Å; A409-D411 PolarHBondContact O-N 3.13Å; A409-W412 PolarHBondContact O-N 3.4Å; A409-L413 VanDerWaalsContact O-CG 3.32Å; A409-L413 WeakPolarHBondContact O-CG 3.38Å; A409-L413 PolarHBondContact O-N 2.99Å
410	S	98.9	Very high	98.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-46.7	179.6	-60	0	0	0	0	112.3	F406 F407 L413 V414 T454	F406-S410 PolarHBondContact O-N 2.68Å; F406-S410 PolarHBondContact O-OG 2.78Å; F406-S410 VanDerWaalsContact O-OG 3.06Å; F407-S410 PolarHBondContact O-N 3.29Å; S410-L413 WeakPolarHBondContact O-CB 3.47Å; S410-L413 PolarHBondContact O-N 3.34Å; S410-V414 PolarHBondContact O-N 3.27Å; S410-V414 VanDerWaalsContact O-N 3.07Å; S410-T454 WeakPolarHBondContact OG-CG2 3.4Å
411	D	98.9	Very high	98.8	Very high	61 Å²	61	39.4 Å²	39.4	33%	0.326	20%	0.201	S	C	.	.	H	α-helix	trans	-69.9	-36.1	-179.6	-59.9	-22.9	0	0	0	111.5	F407 A409 L413 V414 R415 F467	F407-D411 WeakPolarHBondContact O-CB 3.39Å; F407-D411 PolarHBondContact O-N 3.2Å; A409-D411 PolarHBondContact O-N 3.13Å; D411-L413 VanDerWaalsContact C-N 3.32Å; D411-L413 PolarHBondContact O-N 3.48Å; D411-V414 PolarHBondContact O-N 2.86Å; D411-R415 WeakPolarHBondContact O-CG 3.41Å; D411-R415 PolarHBondContact O-N 3.45Å; D411-R415 PolarHBondContact O-NH1 2.76Å; D411-F467 WeakPolarHBondContact OD1-CE1 3.48Å; D411-F467 WeakPolarHBondContact OD1-CZ 3.27Å
412	W	98.9	Very high	98.8	Very high	12 Å²	12	38 Å²	38	5%	0.045	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-43.8	173	-176.6	91.3	0	0	0	111.1	V197 F209 P211 I214 A408 A409 V414 R415 N416	V197-W412 HydrophobicContact CG1-CB 3.95Å; V197-W412 HydrophobicContact CG1-CG 4.37Å; V197-W412 HydrophobicContact CG2-CB 4.36Å; V197-W412 HydrophobicContact CG2-CD2 4.45Å; V197-W412 HydrophobicContact CG2-CG 3.9Å; F209-W412 HydrophobicContact CB-CH2 4.09Å; F209-W412 HydrophobicContact CB-CZ2 3.38Å; F209-W412 AromaticContact CG-CZ2 3.94Å; F209-W412 HydrophobicContact CG-CZ2 3.94Å; F209-W412 AromaticContact CG-NE1 3.95Å; P211-W412 HydrophobicContact CB-CH2 4.5Å; P211-W412 HydrophobicContact CB-CZ3 4.17Å; I214-W412 HydrophobicContact CB-CE3 4.28Å; I214-W412 HydrophobicContact CD1-CD2 3.6Å; I214-W412 HydrophobicContact CD1-CE3 3.56Å; I214-W412 HydrophobicContact CD1-CG 4.42Å; I214-W412 HydrophobicContact CD1-CH2 3.66Å; I214-W412 HydrophobicContact CD1-CZ2 3.68Å; I214-W412 HydrophobicContact CD1-CZ3 3.59Å; I214-W412 HydrophobicContact CG2-CD2 4.2Å; I214-W412 HydrophobicContact CG2-CE3 3.78Å; I214-W412 HydrophobicContact CG2-CZ3 4.48Å; A408-W412 VanDerWaalsContact O-CB 3.27Å; A408-W412 WeakPolarHBondContact O-CB 3.42Å; A408-W412 PolarHBondContact O-N 3.35Å; A408-W412 VanDerWaalsContact O-N 3.1Å; A409-W412 PolarHBondContact O-N 3.4Å; W412-V414 PolarHBondContact O-N 2.98Å; W412-R415 PolarHBondContact O-N 3.08Å; W412-N416 HydrophobicContact CD2-CB 4.28Å; W412-N416 HydrophobicContact CE3-CB 4.43Å; W412-N416 HydrophobicContact CH2-CB 4Å; W412-N416 HydrophobicContact CZ2-CB 3.81Å; W412-N416 HydrophobicContact CZ3-CB 4.31Å; W412-N416 PolarHBondContact NE1-ND2 3.42Å; W412-N416 WeakPolarHBondContact O-CB 3.18Å; W412-N416 PolarHBondContact O-N 3.3Å; W412-N416 PolarHBondContact O-ND2 3.47Å
413	L	98.9	Very high	98.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-45.9	176.9	-71.6	169.2	0	0	0	111.2	A409 S410 D411 N416 Q417 W423 A451 T454 L455	A409-L413 VanDerWaalsContact O-CG 3.32Å; A409-L413 WeakPolarHBondContact O-CG 3.38Å; A409-L413 PolarHBondContact O-N 2.99Å; S410-L413 WeakPolarHBondContact O-CB 3.47Å; S410-L413 PolarHBondContact O-N 3.34Å; D411-L413 VanDerWaalsContact C-N 3.32Å; D411-L413 PolarHBondContact O-N 3.48Å; L413-N416 PolarHBondContact O-N 3.37Å; L413-Q417 PolarHBondContact O-N 3.1Å; L413-W423 HydrophobicContact CB-CZ2 4.16Å; L413-W423 HydrophobicContact CD2-CD2 4.24Å; L413-W423 HydrophobicContact CD2-CG 4.44Å; L413-W423 HydrophobicContact CD2-CZ2 4.28Å; L413-W423 PolarHBondContact O-NE1 3.29Å; L413-A451 HydrophobicContact CD1-CB 3.98Å; L413-A451 HydrophobicContact CD2-CB 3.68Å; L413-A451 HydrophobicContact CG-CB 4.4Å; L413-T454 HydrophobicContact CD1-CG2 3.75Å; L413-L455 HydrophobicContact CB-CD2 4.11Å; L413-L455 HydrophobicContact CB-CG 4.43Å; L413-L455 HydrophobicContact CD1-CG 4.39Å
414	V	98.9	Very high	98.8	Very high	37 Å²	37	37.2 Å²	37.2	22%	0.224	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-49.6	176.5	170.9	0	0	0	0	111.4	S410 D411 W412 N416 L455 I466 F467	S410-V414 PolarHBondContact O-N 3.27Å; S410-V414 VanDerWaalsContact O-N 3.07Å; D411-V414 PolarHBondContact O-N 2.86Å; W412-V414 PolarHBondContact O-N 2.98Å; V414-N416 VanDerWaalsContact C-N 3.33Å; V414-N416 PolarHBondContact O-N 3.22Å; V414-L455 HydrophobicContact CG2-CD2 3.62Å; V414-I466 HydrophobicContact CG1-CG2 3.5Å; V414-I466 VanDerWaalsContact CG1-CG2 3.5Å; V414-I466 HydrophobicContact CG2-CG2 4.21Å; V414-F467 HydrophobicContact CG2-CD1 3.56Å; V414-F467 HydrophobicContact CG2-CE1 3.83Å
415	R	98.8	Very high	98.8	Very high	139 Å²	139	35.2 Å²	35.2	53%	0.525	17%	0.172	S	C	.	.	H	α-helix	trans	-68.7	-27.9	-175.4	-70.3	-168	-56.2	-86.2	1.7	114	E195 D411 W412	E195-R415 IonicContact OE2-CZ 3.9Å; E195-R415 IonicContact OE2-NE 3.59Å; E195-R415 IonicContact OE2-NH2 3.66Å; E195-R415 PolarHBondContact OE2-NH2 3.02Å; D411-R415 WeakPolarHBondContact O-CG 3.41Å; D411-R415 PolarHBondContact O-N 3.45Å; D411-R415 PolarHBondContact O-NH1 2.76Å; W412-R415 PolarHBondContact O-N 3.08Å
416	N	98.9	Very high	98.8	Very high	65 Å²	65	40.4 Å²	40.4	35%	0.348	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	11.2	-172.6	-66.4	-93.9	0	0	0	113.3	W412 L413 V414	W412-N416 HydrophobicContact CD2-CB 4.28Å; W412-N416 HydrophobicContact CE3-CB 4.43Å; W412-N416 HydrophobicContact CH2-CB 4Å; W412-N416 HydrophobicContact CZ2-CB 3.81Å; W412-N416 HydrophobicContact CZ3-CB 4.31Å; W412-N416 PolarHBondContact NE1-ND2 3.42Å; W412-N416 WeakPolarHBondContact O-CB 3.18Å; W412-N416 PolarHBondContact O-N 3.3Å; W412-N416 PolarHBondContact O-ND2 3.47Å; L413-N416 PolarHBondContact O-N 3.37Å; V414-N416 VanDerWaalsContact C-N 3.33Å; V414-N416 PolarHBondContact O-N 3.22Å
417	Q	98.9	Very high	98.8	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.075	20%	0.199	C	C	.	.			trans	-77.6	125.9	170.2	-172.1	-179.1	40.7	0	0	110	L413 G421 W423 S470 R473	L413-Q417 PolarHBondContact O-N 3.1Å; Q417-G421 PolarHBondContact NE2-O 3.42Å; Q417-W423 HydrophobicContact CB-CZ2 3.99Å; Q417-W423 HydrophobicContact CG-CZ2 4Å; Q417-S470 PolarHBondContact NE2-O 3.26Å; Q417-S470 PolarHBondContact OE1-O 3.26Å; Q417-S470 PolarHBondContact OE1-OG 2.82Å; Q417-R473 VanDerWaalsContact OE1-NH1 3.17Å
418	D	98.8	Very high	98.7	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.134	20%	0.203	C	C	.	.			trans	-77.3	176.8	179.3	70.6	24.6	0	0	0	113.4	K420 G421 G422 P424 Y443 R473	D418-K420 PolarHBondContact O-N 3.12Å; D418-K420 WeakPolarHBondContact OD1-CA 3.33Å; D418-K420 WeakPolarHBondContact OD1-CB 3.44Å; D418-K420 PolarHBondContact OD1-N 3.36Å; D418-G421 PolarHBondContact O-N 3.06Å; D418-G421 PolarHBondContact OD1-N 3.01Å; D418-G421 VanDerWaalsContact OD1-N 3.1Å; D418-G422 VanDerWaalsContact CG-O 3.32Å; D418-G422 PolarHBondContact N-O 3.2Å; D418-G422 PolarHBondContact OD1-N 2.85Å; D418-P424 WeakPolarHBondContact OD2-CD 3.27Å; D418-Y443 VanDerWaalsContact CG-OH 3.24Å; D418-Y443 PolarHBondContact OD1-OH 3.03Å; D418-Y443 WeakPolarHBondContact OD2-CE1 3.34Å; D418-Y443 PolarHBondContact OD2-OH 3.41Å; D418-R473 PolarHBondContact O-NH2 3.12Å
419	E	98.6	Very high	98.7	Very high	155 Å²	155	42.2 Å²	42.2	72%	0.724	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.9	-178.2	72.8	-69.9	166.3	0	0	113.8	G421	E419-G421 VanDerWaalsContact C-N 3.26Å
420	K	98.5	Very high	98.6	Very high	102 Å²	102	49 Å²	49	44%	0.443	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	2.7	176.7	-61.4	-179.2	-174.4	172.9	0	112.6	D418 G422 Y443 A476	D418-K420 PolarHBondContact O-N 3.12Å; D418-K420 WeakPolarHBondContact OD1-CA 3.33Å; D418-K420 WeakPolarHBondContact OD1-CB 3.44Å; D418-K420 PolarHBondContact OD1-N 3.36Å; K420-G422 VanDerWaalsContact C-N 3.25Å; K420-G422 PolarHBondContact O-N 2.99Å; K420-Y443 HydrophobicContact CB-CE2 4.49Å; K420-Y443 HydrophobicContact CD-CE2 4.49Å; K420-A476 VanDerWaalsContact O-CB 3.31Å; K420-A476 WeakPolarHBondContact O-CB 3.41Å
421	G	98.6	Very high	98.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	24%	0.237	C	C	.	.	S	Bend	trans	79.3	6.9	-178.6	0	0	0	0	0	113.7	Q417 D418 E419 Q448 R473 A474	Q417-G421 PolarHBondContact NE2-O 3.42Å; D418-G421 PolarHBondContact O-N 3.06Å; D418-G421 PolarHBondContact OD1-N 3.01Å; D418-G421 VanDerWaalsContact OD1-N 3.1Å; E419-G421 VanDerWaalsContact C-N 3.26Å; G421-Q448 PolarHBondContact O-NE2 3.48Å; G421-R473 WeakPolarHBondContact CA-O 3.45Å; G421-A474 WeakPolarHBondContact O-CA 3.3Å
422	G	98.7	Very high	98.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.			trans	-91.2	165	179.9	0	0	0	0	0	113.5	D418 K420	D418-G422 VanDerWaalsContact CG-O 3.32Å; D418-G422 PolarHBondContact N-O 3.2Å; D418-G422 PolarHBondContact OD1-N 2.85Å; K420-G422 VanDerWaalsContact C-N 3.25Å; K420-G422 PolarHBondContact O-N 2.99Å
423	W	98.9	Very high	97.9	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.008	28%	0.276	C	S	.	.			trans	-111.9	95.7	162.8	-66.4	-83.6	0	0	0	108.9	P211 L413 Q417 I425 Q448 A451 L455 A474	P211-W423 HydrophobicContact CB-CB 3.62Å; P211-W423 HydrophobicContact CB-CG 4.08Å; P211-W423 HydrophobicContact CG-CB 3.7Å; L413-W423 HydrophobicContact CB-CZ2 4.16Å; L413-W423 HydrophobicContact CD2-CD2 4.24Å; L413-W423 HydrophobicContact CD2-CG 4.44Å; L413-W423 HydrophobicContact CD2-CZ2 4.28Å; L413-W423 PolarHBondContact O-NE1 3.29Å; Q417-W423 HydrophobicContact CB-CZ2 3.99Å; Q417-W423 HydrophobicContact CG-CZ2 4Å; W423-I425 PolarHBondContact O-N 2.77Å; W423-Q448 VanDerWaalsContact CE3-OE1 3.23Å; W423-A451 HydrophobicContact CD2-CB 4.14Å; W423-A451 HydrophobicContact CE3-CB 3.65Å; W423-A451 HydrophobicContact CH2-CB 3.39Å; W423-A451 HydrophobicContact CZ2-CB 3.89Å; W423-A451 HydrophobicContact CZ3-CB 3.26Å; W423-L455 HydrophobicContact CH2-CD1 3.83Å; W423-L455 HydrophobicContact CZ2-CD1 3.88Å; W423-A474 HydrophobicContact CH2-CB 3.57Å; W423-A474 HydrophobicContact CZ3-CB 3.58Å
424	P	98.8	Very high	97.8	Very high	40 Å²	40	59.2 Å²	59.2	26%	0.26	30%	0.303	S	S	.	.			trans	-65.1	132.7	-172.8	24	-31.3	0	0	0	111.2	D418 M426 Y443	D418-P424 WeakPolarHBondContact OD2-CD 3.27Å; P424-M426 HydrophobicContact CB-SD 4.03Å; P424-M426 HydrophobicContact CG-SD 4.41Å; P424-M426 PolarHBondContact O-N 3.3Å; P424-Y443 HydrophobicContact CB-CD1 4.48Å; P424-Y443 HydrophobicContact CB-CE1 3.99Å
425	I	98.8	Very high	97.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-90	106.9	179.3	-62.5	161.5	0	0	0	108.8	Y210 P211 W423 V427 G441 W442	Y210-I425 HydrophobicContact CD2-CD1 4.44Å; Y210-I425 HydrophobicContact CD2-CG1 4.28Å; Y210-I425 HydrophobicContact CD2-CG2 4.32Å; Y210-I425 HydrophobicContact CE2-CD1 3.86Å; Y210-I425 HydrophobicContact CE2-CG1 4.19Å; Y210-I425 HydrophobicContact CE2-CG2 4.41Å; P211-I425 HydrophobicContact CG-CG1 4.17Å; W423-I425 PolarHBondContact O-N 2.77Å; I425-V427 HydrophobicContact CG2-CG1 3.93Å; I425-V427 PolarHBondContact O-N 3.12Å; I425-G441 PolarHBondContact O-N 2.77Å; I425-W442 HydrophobicContact CB-CD2 3.99Å; I425-W442 HydrophobicContact CB-CE3 4.46Å; I425-W442 HydrophobicContact CB-CG 4.45Å; I425-W442 HydrophobicContact CB-CH2 4.34Å; I425-W442 HydrophobicContact CB-CZ2 3.85Å; I425-W442 WeakPolarHBondContact CB-O 3.47Å; I425-W442 HydrophobicContact CD1-CD2 4.1Å; I425-W442 HydrophobicContact CD1-CE3 3.68Å; I425-W442 HydrophobicContact CD1-CH2 3.42Å; I425-W442 VanDerWaalsContact CD1-CH2 3.42Å; I425-W442 HydrophobicContact CD1-CZ2 3.85Å; I425-W442 HydrophobicContact CD1-CZ3 3.33Å; I425-W442 HydrophobicContact CG1-CH2 4.45Å; I425-W442 HydrophobicContact CG1-CZ2 4.44Å; I425-W442 HydrophobicContact CG2-CD2 4.4Å; I425-W442 HydrophobicContact CG2-CH2 4.08Å; I425-W442 HydrophobicContact CG2-CZ2 3.37Å; I425-W442 PolarHBondContact N-O 2.81Å
426	M	98.4	Very high	97.6	Very high	118 Å²	118	58.3 Å²	58.3	58%	0.581	30%	0.3	S	S	*	.			trans	-85.1	42	-169.4	-58.5	-54.3	-71.5	0	0	113.9	P424	P424-M426 HydrophobicContact CB-SD 4.03Å; P424-M426 HydrophobicContact CG-SD 4.41Å; P424-M426 PolarHBondContact O-N 3.3Å
427	V	98.1	Very high	97.5	Very high	10 Å²	10	57.5 Å²	57.5	6%	0.061	30%	0.299	C	S	.	.	S	Bend	trans	-147	141.2	174.4	66.5	0	0	0	0	110.3	W203 Y208 I425 R429 W442	W203-V427 HydrophobicContact CB-CG1 4.47Å; W203-V427 HydrophobicContact CB-CG2 4.41Å; W203-V427 HydrophobicContact CE3-CG1 3.92Å; Y208-V427 HydrophobicContact CD1-CB 4.35Å; Y208-V427 HydrophobicContact CD1-CG1 4.41Å; Y208-V427 HydrophobicContact CD2-CG1 4.08Å; Y208-V427 HydrophobicContact CE1-CB 4.31Å; Y208-V427 HydrophobicContact CE1-CG1 4.01Å; Y208-V427 HydrophobicContact CE1-CG2 4.37Å; Y208-V427 HydrophobicContact CE2-CB 4.49Å; Y208-V427 HydrophobicContact CE2-CG1 3.62Å; Y208-V427 HydrophobicContact CG-CB 4.49Å; Y208-V427 HydrophobicContact CG-CG1 4.45Å; I425-V427 HydrophobicContact CG2-CG1 3.93Å; I425-V427 PolarHBondContact O-N 3.12Å; V427-R429 PolarHBondContact O-N 3.44Å; V427-W442 PolarHBondContact O-NE1 2.88Å
428	T	98.3	Very high	97.5	Very high	53 Å²	53	57.5 Å²	57.5	33%	0.325	30%	0.299	S	S	.	.			trans	-63.2	134.6	174.9	-52	0	0	0	0	110.6	L438 E439 P440	T428-L438 CarbonylContact C-O 3.5Å; T428-L438 WeakPolarHBondContact CA-O 3.5Å; T428-L438 WeakPolarHBondContact CG2-O 3.26Å; T428-E439 PolarHBondContact OG1-OE2 2.88Å; T428-P440 WeakPolarHBondContact OG1-CD 3.24Å
429	R	97.8	Very high	97.5	Very high	50 Å²	50	61.9 Å²	61.9	19%	0.189	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-121.9	119.5	175	178.7	65.2	178.8	116.6	4	111	V427 L438 W442 Y501	V427-R429 PolarHBondContact O-N 3.44Å; R429-L438 HydrophobicContact CB-CB 4.21Å; R429-L438 HydrophobicContact CB-CD1 4.36Å; R429-L438 HydrophobicContact CG-CD1 4.49Å; R429-L438 PolarHBondContact N-O 2.78Å; R429-L438 PolarHBondContact O-N 3.01Å; R429-W442 HydrophobicContact CB-CH2 4.38Å; R429-W442 HydrophobicContact CB-CZ2 3.62Å; R429-W442 HydrophobicContact CG-CH2 4.44Å; R429-W442 HydrophobicContact CG-CZ2 4.13Å; R429-Y501 HydrophobicContact CG-CD1 4.15Å; R429-Y501 HydrophobicContact CG-CE1 4.29Å
430	K	96.8	Very high	97.5	Very high	144 Å²	144	57.5 Å²	57.5	63%	0.626	30%	0.304	S	S	*	.			trans	-103.2	101.6	171.2	-59.4	-169.2	177.9	-175.3	0	109.9	G432 S437	K430-G432 PolarHBondContact O-N 3.11Å; K430-S437 WeakPolarHBondContact CE-OG 3.34Å; K430-S437 WeakPolarHBondContact CG-OG 3.42Å
431	L	94.8	Very high	97.5	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.068	29%	0.288	C	S	.	.			trans	-68.1	-35	-171.5	-173.7	60	0	0	0	113.1	F435 Y501 T503	L431-F435 HydrophobicContact CB-CB 4.35Å; L431-F435 HydrophobicContact CB-CD2 4.08Å; L431-F435 HydrophobicContact CB-CG 4.37Å; L431-F435 HydrophobicContact CD2-CD2 4.01Å; L431-F435 HydrophobicContact CD2-CE2 4Å; L431-F435 HydrophobicContact CD2-CG 4.38Å; L431-F435 HydrophobicContact CD2-CZ 4.36Å; L431-F435 HydrophobicContact CG-CD2 4.14Å; L431-F435 HydrophobicContact CG-CE2 4.37Å; L431-Y501 HydrophobicContact CD1-CD2 3.64Å; L431-Y501 HydrophobicContact CD1-CE2 3.9Å; L431-Y501 HydrophobicContact CD1-CG 4.09Å; L431-Y501 HydrophobicContact CD2-CD2 4.18Å; L431-Y501 HydrophobicContact CD2-CG 4.42Å; L431-T503 HydrophobicContact CB-CG2 4.22Å; L431-T503 HydrophobicContact CD2-CG2 3.9Å
432	G	93.4	Very high	97.5	Very high	30 Å²	30	53.6 Å²	53.6	31%	0.309	29%	0.289	S	S	.	.	S	Bend	trans	170.1	174.8	179.1	0	0	0	0	0	110.2	K430 F435	K430-G432 PolarHBondContact O-N 3.11Å; G432-F435 PolarHBondContact O-N 2.89Å
433	E	94.4	Very high	97.5	Very high	189 Å²	189	53.9 Å²	53.9	88%	0.883	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	143.6	170.6	-66	-173.4	168	0	0	110.6	F435	E433-F435 VanDerWaalsContact C-N 3.34Å; E433-F435 PolarHBondContact O-N 3.01Å
434	G	96.1	Very high	97.5	Very high	55 Å²	55	53.8 Å²	53.8	57%	0.567	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-18.4	-175.5	0	0	0	0	0	115.4	P505	G434-P505 WeakPolarHBondContact O-CD 3.17Å
435	F	97.3	Very high	97.5	Very high	19 Å²	19	51.9 Å²	51.9	8%	0.083	28%	0.278	C	S	.	.	S	Bend	trans	-97.8	139	174.4	-65.8	-68.1	0	0	0	112.2	L431 G432 E433 T503 P505 R564 L568	L431-F435 HydrophobicContact CB-CB 4.35Å; L431-F435 HydrophobicContact CB-CD2 4.08Å; L431-F435 HydrophobicContact CB-CG 4.37Å; L431-F435 HydrophobicContact CD2-CD2 4.01Å; L431-F435 HydrophobicContact CD2-CE2 4Å; L431-F435 HydrophobicContact CD2-CG 4.38Å; L431-F435 HydrophobicContact CD2-CZ 4.36Å; L431-F435 HydrophobicContact CG-CD2 4.14Å; L431-F435 HydrophobicContact CG-CE2 4.37Å; G432-F435 PolarHBondContact O-N 2.89Å; E433-F435 VanDerWaalsContact C-N 3.34Å; E433-F435 PolarHBondContact O-N 3.01Å; F435-T503 HydrophobicContact CB-CG2 4.4Å; F435-T503 HydrophobicContact CD1-CG2 4.34Å; F435-T503 HydrophobicContact CG-CG2 4.47Å; F435-P505 HydrophobicContact CD1-CG 4.2Å; F435-P505 WeakPolarHBondContact CD1-O 3.43Å; F435-P505 HydrophobicContact CE1-CG 4.13Å; F435-P505 VanDerWaalsContact CE1-O 3.23Å; F435-P505 WeakPolarHBondContact CE1-O 3.22Å; F435-R564 HydrophobicContact CE2-CB 3.88Å; F435-R564 HydrophobicContact CZ-CB 3.76Å; F435-L568 HydrophobicContact CD2-CD1 3.98Å; F435-L568 HydrophobicContact CE1-CD1 4.23Å; F435-L568 HydrophobicContact CE2-CD1 3.57Å; F435-L568 HydrophobicContact CG-CD1 4.48Å; F435-L568 HydrophobicContact CZ-CD1 3.72Å; F435-L568 HydrophobicContact CZ-CG 4.28Å
436	K	96.8	Very high	97.5	Very high	137 Å²	137	52.5 Å²	52.5	60%	0.596	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-60.8	147.5	168.2	-69.6	-173.4	-173.9	171.6	0	110.6	T504	K436-T504 HydrophobicContact CD-CG2 4.45Å; K436-T504 PolarHBondContact N-O 3.37Å
437	S	97.9	Very high	97.5	Very high	48 Å²	48	46.9 Å²	46.9	34%	0.336	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-67.3	133.8	173.3	-59.6	0	0	0	0	109.3	K430	K430-S437 WeakPolarHBondContact CE-OG 3.34Å; K430-S437 WeakPolarHBondContact CG-OG 3.42Å
438	L	98.4	Very high	97.6	Very high	16 Å²	16	46.4 Å²	46.4	8%	0.084	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-84.2	111.6	170.7	-60.5	178.1	0	0	0	108.2	T428 R429 W442 P502 T503	T428-L438 CarbonylContact C-O 3.5Å; T428-L438 WeakPolarHBondContact CA-O 3.5Å; T428-L438 WeakPolarHBondContact CG2-O 3.26Å; R429-L438 HydrophobicContact CB-CB 4.21Å; R429-L438 HydrophobicContact CB-CD1 4.36Å; R429-L438 HydrophobicContact CG-CD1 4.49Å; R429-L438 PolarHBondContact N-O 2.78Å; R429-L438 PolarHBondContact O-N 3.01Å; L438-W442 HydrophobicContact CB-CB 4.27Å; L438-W442 HydrophobicContact CB-CD2 4.18Å; L438-W442 HydrophobicContact CB-CG 3.83Å; L438-W442 HydrophobicContact CD1-CD2 3.88Å; L438-W442 HydrophobicContact CD1-CE3 3.87Å; L438-W442 HydrophobicContact CD1-CG 4.26Å; L438-W442 HydrophobicContact CD1-CZ3 4.3Å; L438-P502 HydrophobicContact CD2-CG 4.49Å; L438-P502 VanDerWaalsContact CD2-O 3.27Å; L438-P502 WeakPolarHBondContact CD2-O 3.22Å; L438-T503 HydrophobicContact CD1-CG2 4.07Å; L438-T503 HydrophobicContact CD2-CG2 4.17Å; L438-T503 HydrophobicContact CG-CG2 4.16Å
439	E	98.3	Very high	97.6	Very high	117 Å²	117	43.9 Å²	43.9	55%	0.547	24%	0.235	S	C	.	.			trans	-76.9	151.4	177.6	-63.5	-51	139.6	0	0	111.7	T428 G441 W442	T428-E439 PolarHBondContact OG1-OE2 2.88Å; E439-G441 PolarHBondContact O-N 3.46Å; E439-W442 VanDerWaalsContact O-CD1 3.23Å; E439-W442 PolarHBondContact O-N 3.37Å
440	P	98.6	Very high	97.7	Very high	64 Å²	64	41.5 Å²	41.5	42%	0.416	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	135.4	-177.3	-28.6	35.8	0	0	0	113.1	T428	T428-P440 WeakPolarHBondContact OG1-CD 3.24Å
441	G	98.3	Very high	97.8	Very high	9 Å²	9	34.7 Å²	34.7	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.9	-13.4	-175.5	0	0	0	0	0	113.8	I425 E439 H485	I425-G441 PolarHBondContact O-N 2.77Å; E439-G441 PolarHBondContact O-N 3.46Å; G441-H485 PolarHBondContact O-CE1 2.86Å; G441-H485 PolarHBondContact O-NE2 3.03Å; G441-H485 VanDerWaalsContact O-NE2 3.15Å
442	W	98.8	Very high	98	Very high	12 Å²	12	34 Å²	34	5%	0.045	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-58	144	175.6	63.2	-81.1	0	0	0	112.8	W203 I425 V427 R429 L438 E439 Y501 P502	W203-W442 HydrophobicContact CE3-CZ2 4.33Å; W203-W442 HydrophobicContact CH2-CH2 4.02Å; W203-W442 HydrophobicContact CH2-CZ2 4.35Å; W203-W442 AromaticContact CZ3-CH2 3.76Å; W203-W442 HydrophobicContact CZ3-CH2 3.76Å; W203-W442 AromaticContact CZ3-CZ2 3.67Å; W203-W442 HydrophobicContact CZ3-CZ2 3.67Å; I425-W442 HydrophobicContact CB-CD2 3.99Å; I425-W442 HydrophobicContact CB-CE3 4.46Å; I425-W442 HydrophobicContact CB-CG 4.45Å; I425-W442 HydrophobicContact CB-CH2 4.34Å; I425-W442 HydrophobicContact CB-CZ2 3.85Å; I425-W442 WeakPolarHBondContact CB-O 3.47Å; I425-W442 HydrophobicContact CD1-CD2 4.1Å; I425-W442 HydrophobicContact CD1-CE3 3.68Å; I425-W442 HydrophobicContact CD1-CH2 3.42Å; I425-W442 VanDerWaalsContact CD1-CH2 3.42Å; I425-W442 HydrophobicContact CD1-CZ2 3.85Å; I425-W442 HydrophobicContact CD1-CZ3 3.33Å; I425-W442 HydrophobicContact CG1-CH2 4.45Å; I425-W442 HydrophobicContact CG1-CZ2 4.44Å; I425-W442 HydrophobicContact CG2-CD2 4.4Å; I425-W442 HydrophobicContact CG2-CH2 4.08Å; I425-W442 HydrophobicContact CG2-CZ2 3.37Å; I425-W442 PolarHBondContact N-O 2.81Å; V427-W442 PolarHBondContact O-NE1 2.88Å; R429-W442 HydrophobicContact CB-CH2 4.38Å; R429-W442 HydrophobicContact CB-CZ2 3.62Å; R429-W442 HydrophobicContact CG-CH2 4.44Å; R429-W442 HydrophobicContact CG-CZ2 4.13Å; L438-W442 HydrophobicContact CB-CB 4.27Å; L438-W442 HydrophobicContact CB-CD2 4.18Å; L438-W442 HydrophobicContact CB-CG 3.83Å; L438-W442 HydrophobicContact CD1-CD2 3.88Å; L438-W442 HydrophobicContact CD1-CE3 3.87Å; L438-W442 HydrophobicContact CD1-CG 4.26Å; L438-W442 HydrophobicContact CD1-CZ3 4.3Å; E439-W442 VanDerWaalsContact O-CD1 3.23Å; E439-W442 PolarHBondContact O-N 3.37Å; W442-Y501 AromaticContact CH2-CD1 3.79Å; W442-Y501 HydrophobicContact CH2-CD1 3.79Å; W442-Y501 AromaticContact CH2-CE1 3.95Å; W442-Y501 HydrophobicContact CH2-CE1 3.95Å; W442-Y501 AromaticContact CZ3-CD1 3.81Å; W442-Y501 HydrophobicContact CZ3-CD1 3.81Å; W442-Y501 HydrophobicContact CZ3-CE1 4.33Å; W442-P502 HydrophobicContact CB-CG 4.39Å; W442-P502 HydrophobicContact CE3-CG 4.45Å
443	Y	98.9	Very high	98.2	Very high	6 Å²	6	32.6 Å²	32.6	2%	0.024	18%	0.178	C	C	.	.			trans	-95.6	165.4	173.9	-58.4	-45.2	0	0	0	112.3	D418 K420 P424 P477 H485 P502	D418-Y443 VanDerWaalsContact CG-OH 3.24Å; D418-Y443 PolarHBondContact OD1-OH 3.03Å; D418-Y443 WeakPolarHBondContact OD2-CE1 3.34Å; D418-Y443 PolarHBondContact OD2-OH 3.41Å; K420-Y443 HydrophobicContact CB-CE2 4.49Å; K420-Y443 HydrophobicContact CD-CE2 4.49Å; P424-Y443 HydrophobicContact CB-CD1 4.48Å; P424-Y443 HydrophobicContact CB-CE1 3.99Å; Y443-P477 HydrophobicContact CD2-CB 3.99Å; Y443-P477 HydrophobicContact CD2-CG 4.08Å; Y443-P477 HydrophobicContact CE2-CG 4.3Å; Y443-H485 AromaticContact CD2-CD2 4Å; Y443-H485 VanDerWaalsContact CD2-O 3.24Å; Y443-H485 WeakPolarHBondContact CD2-O 3.28Å; Y443-H485 AromaticContact CE2-CD2 3.37Å; Y443-H485 WeakPolarHBondContact CE2-CD2 3.44Å; Y443-H485 AromaticContact CE2-NE2 3.92Å; Y443-H485 VanDerWaalsContact CE2-O 3.28Å; Y443-H485 WeakPolarHBondContact CE2-O 3.35Å; Y443-H485 AromaticContact CZ-CD2 3.73Å; Y443-H485 AromaticContact CZ-NE2 3.82Å; Y443-P502 WeakPolarHBondContact O-CD 3.5Å; Y443-P502 WeakPolarHBondContact O-CG 3.35Å
444	S	98.9	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.			trans	-133	130.5	174.7	177.5	0	0	0	0	110.2	M446 A447 Q448 E500	S444-M446 PolarHBondContact O-N 3.21Å; S444-M446 PolarHBondContact OG-N 3.37Å; S444-A447 WeakPolarHBondContact O-CA 3.41Å; S444-A447 WeakPolarHBondContact O-CB 3.33Å; S444-A447 PolarHBondContact O-N 3.05Å; S444-Q448 WeakPolarHBondContact O-CG 3.45Å; S444-Q448 PolarHBondContact O-N 3.21Å; S444-E500 WeakPolarHBondContact CB-O 3.45Å; S444-E500 PolarHBondContact OG-O 3.41Å
445	A	98.9	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-33.3	174.9	0	0	0	0	0	111.8	Q448 G449 Y478 V487 Y498 E499 S516	A445-Q448 PolarHBondContact O-N 2.84Å; A445-G449 PolarHBondContact O-N 3.33Å; A445-Y478 HydrophobicContact CB-CE1 4.36Å; A445-Y478 PolarHBondContact O-OH 2.94Å; A445-V487 HydrophobicContact CB-CB 4.15Å; A445-V487 HydrophobicContact CB-CG2 3.98Å; A445-Y498 VanDerWaalsContact CB-C 3.42Å; A445-Y498 WeakPolarHBondContact CB-O 3.18Å; A445-E499 WeakPolarHBondContact CB-O 3.47Å; A445-E499 PolarHBondContact N-O 3.03Å; A445-S516 VanDerWaalsContact O-CB 3.31Å; A445-S516 WeakPolarHBondContact O-CB 3.43Å
446	M	98.9	Very high	98.7	Very high	13 Å²	13	20.1 Å²	20.1	6%	0.064	11%	0.105	C	C	.	.	H	α-helix	trans	-66.9	-38.5	173.7	-176.1	-178.2	180	0	0	111.8	I212 S444 Q450 E500 Y515	I212-M446 HydrophobicContact CD1-CB 3.91Å; I212-M446 HydrophobicContact CD1-CG 3.95Å; I212-M446 HydrophobicContact CD1-SD 4.04Å; I212-M446 HydrophobicContact CG1-CB 4.42Å; I212-M446 HydrophobicContact CG1-CG 4.15Å; I212-M446 HydrophobicContact CG2-CE 3.86Å; I212-M446 HydrophobicContact CG2-SD 4.26Å; S444-M446 PolarHBondContact O-N 3.21Å; S444-M446 PolarHBondContact OG-N 3.37Å; M446-Q450 WeakPolarHBondContact O-CB 3.44Å; M446-Q450 WeakPolarHBondContact O-CG 3.25Å; M446-Q450 PolarHBondContact O-N 2.93Å; M446-E500 HydrophobicContact CB-CG 4.05Å; M446-E500 HydrophobicContact SD-CG 4.16Å; M446-Y515 HydrophobicContact CE-CD2 3.6Å; M446-Y515 HydrophobicContact CE-CE2 3.74Å; M446-Y515 HydrophobicContact CG-CD2 4.12Å; M446-Y515 HydrophobicContact CG-CG 4.48Å; M446-Y515 HydrophobicContact SD-CD2 4.23Å
447	A	98.9	Very high	98.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-49.4	174	0	0	0	0	0	110.8	P211 I212 S444 G449 A451	P211-A447 HydrophobicContact CB-CB 4.2Å; P211-A447 HydrophobicContact CG-CB 3.85Å; I212-A447 HydrophobicContact CD1-CB 4.02Å; I212-A447 VanDerWaalsContact CG1-CA 3.4Å; I212-A447 HydrophobicContact CG1-CB 3.65Å; S444-A447 WeakPolarHBondContact O-CA 3.41Å; S444-A447 WeakPolarHBondContact O-CB 3.33Å; S444-A447 PolarHBondContact O-N 3.05Å; A447-G449 PolarHBondContact O-N 3.09Å; A447-A451 WeakPolarHBondContact O-CB 3.47Å; A447-A451 PolarHBondContact O-N 2.84Å
448	Q	98.9	Very high	98.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.6	-49.2	179	-61.3	-55.3	114.2	0	0	111.3	G421 W423 S444 A445 A451 I452 A474 P477 Y478	G421-Q448 PolarHBondContact O-NE2 3.48Å; W423-Q448 VanDerWaalsContact CE3-OE1 3.23Å; S444-Q448 WeakPolarHBondContact O-CG 3.45Å; S444-Q448 PolarHBondContact O-N 3.21Å; A445-Q448 PolarHBondContact O-N 2.84Å; Q448-A451 PolarHBondContact O-N 3.14Å; Q448-I452 WeakPolarHBondContact O-CB 3.28Å; Q448-I452 WeakPolarHBondContact O-CD1 3.46Å; Q448-I452 WeakPolarHBondContact O-CG1 3.36Å; Q448-I452 PolarHBondContact O-N 2.96Å; Q448-A474 PolarHBondContact NE2-O 3.46Å; Q448-P477 HydrophobicContact CG-CB 4.43Å; Q448-P477 HydrophobicContact CG-CG 4.36Å; Q448-Y478 HydrophobicContact CB-CE2 3.47Å; Q448-Y478 VanDerWaalsContact CB-CE2 3.47Å; Q448-Y478 WeakPolarHBondContact CB-OH 3.49Å; Q448-Y478 HydrophobicContact CG-CE2 4.04Å
449	G	98.9	Very high	98.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61	-49	-178.9	0	0	0	0	0	113.5	A445 A447 A451 I452 S453 Y478 G519	A445-G449 PolarHBondContact O-N 3.33Å; A447-G449 PolarHBondContact O-N 3.09Å; G449-A451 PolarHBondContact O-N 3.26Å; G449-I452 WeakPolarHBondContact O-CB 3.31Å; G449-I452 PolarHBondContact O-N 2.92Å; G449-S453 PolarHBondContact O-N 3.32Å; G449-S453 PolarHBondContact O-OG 2.9Å; G449-Y478 WeakPolarHBondContact CA-OH 3.33Å; G449-Y478 PolarHBondContact N-OH 3.48Å; G449-Y478 VanDerWaalsContact N-OH 3.14Å; G449-G519 WeakPolarHBondContact O-CA 3.11Å
450	Q	98.9	Very high	98.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.4	-33.8	-179.7	-66.9	-172.4	-0.6	0	0	112.4	A215 Q216 L219 M446 S453 T454 Y515	A215-Q450 HydrophobicContact CB-CB 3.71Å; Q216-Q450 VanDerWaalsContact NE2-OE1 3.1Å; L219-Q450 HydrophobicContact CD1-CB 4.23Å; M446-Q450 WeakPolarHBondContact O-CB 3.44Å; M446-Q450 WeakPolarHBondContact O-CG 3.25Å; M446-Q450 PolarHBondContact O-N 2.93Å; Q450-S453 PolarHBondContact O-N 3.36Å; Q450-T454 PolarHBondContact O-N 2.97Å; Q450-T454 PolarHBondContact O-OG1 3.38Å; Q450-Y515 HydrophobicContact CG-CD1 4.49Å; Q450-Y515 HydrophobicContact CG-CG 4.42Å
451	A	98.9	Very high	98.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.2	-44.9	172.1	0	0	0	0	0	111.5	L413 W423 A447 Q448 G449 S453 T454 L455	L413-A451 HydrophobicContact CD1-CB 3.98Å; L413-A451 HydrophobicContact CD2-CB 3.68Å; L413-A451 HydrophobicContact CG-CB 4.4Å; W423-A451 HydrophobicContact CD2-CB 4.14Å; W423-A451 HydrophobicContact CE3-CB 3.65Å; W423-A451 HydrophobicContact CH2-CB 3.39Å; W423-A451 HydrophobicContact CZ2-CB 3.89Å; W423-A451 HydrophobicContact CZ3-CB 3.26Å; A447-A451 WeakPolarHBondContact O-CB 3.47Å; A447-A451 PolarHBondContact O-N 2.84Å; Q448-A451 PolarHBondContact O-N 3.14Å; G449-A451 PolarHBondContact O-N 3.26Å; A451-S453 PolarHBondContact O-N 3Å; A451-T454 WeakPolarHBondContact O-CB 3.35Å; A451-T454 PolarHBondContact O-N 2.84Å; A451-T454 VanDerWaalsContact O-N 3.12Å; A451-L455 WeakPolarHBondContact O-CB 3.39Å; A451-L455 VanDerWaalsContact O-CG 3.27Å; A451-L455 WeakPolarHBondContact O-CG 3.48Å; A451-L455 PolarHBondContact O-N 2.81Å
452	I	98.9	Very high	98.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-55.5	-50.5	173.8	-71.3	163.5	0	0	0	110.6	Q448 G449 T454 L455 V456 A471 A474 T475 Y478 G519 L523	Q448-I452 WeakPolarHBondContact O-CB 3.28Å; Q448-I452 WeakPolarHBondContact O-CD1 3.46Å; Q448-I452 WeakPolarHBondContact O-CG1 3.36Å; Q448-I452 PolarHBondContact O-N 2.96Å; G449-I452 WeakPolarHBondContact O-CB 3.31Å; G449-I452 PolarHBondContact O-N 2.92Å; I452-T454 PolarHBondContact O-N 3.41Å; I452-L455 PolarHBondContact O-N 3Å; I452-V456 HydrophobicContact CG2-CG2 4.13Å; I452-V456 WeakPolarHBondContact O-CB 3.33Å; I452-V456 WeakPolarHBondContact O-CG2 3.44Å; I452-V456 PolarHBondContact O-N 3.27Å; I452-A471 HydrophobicContact CG2-CB 4.4Å; I452-A474 HydrophobicContact CD1-CB 3.89Å; I452-A474 HydrophobicContact CG1-CB 3.57Å; I452-T475 HydrophobicContact CD1-CG2 4.5Å; I452-Y478 HydrophobicContact CD1-CE2 4.34Å; I452-G519 WeakPolarHBondContact CG2-O 3.19Å; I452-L523 HydrophobicContact CG2-CB 3.63Å; I452-L523 HydrophobicContact CG2-CD2 4.17Å; I452-L523 HydrophobicContact CG2-CG 4.4Å
453	S	98.9	Very high	98.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.7	-33.3	177.9	-71.2	0	0	0	0	113.7	F174 G449 Q450 A451 R457 G519 D522	F174-S453 VanDerWaalsContact CE2-OG 3.3Å; F174-S453 WeakPolarHBondContact CE2-OG 3.28Å; G449-S453 PolarHBondContact O-N 3.32Å; G449-S453 PolarHBondContact O-OG 2.9Å; Q450-S453 PolarHBondContact O-N 3.36Å; A451-S453 PolarHBondContact O-N 3Å; S453-R457 WeakPolarHBondContact O-CD 3.37Å; S453-R457 WeakPolarHBondContact O-CG 3.22Å; S453-R457 PolarHBondContact O-N 3.43Å; S453-R457 PolarHBondContact O-NH1 3.05Å; S453-G519 WeakPolarHBondContact OG-CA 3.31Å; S453-D522 WeakPolarHBondContact CA-OD2 3.19Å; S453-D522 WeakPolarHBondContact CB-OD2 3.48Å; S453-D522 PolarHBondContact OG-OD2 3.37Å
454	T	99	Very high	98.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-71.6	-49	176.4	-54.7	0	0	0	0	110.7	L219 F406 S410 L413 Q450 A451 I452 R457 A458	L219-T454 WeakPolarHBondContact CG-OG1 3.42Å; F406-T454 HydrophobicContact CD2-CG2 4.43Å; F406-T454 HydrophobicContact CE2-CG2 3.89Å; F406-T454 WeakPolarHBondContact CZ-O 3.47Å; S410-T454 WeakPolarHBondContact OG-CG2 3.4Å; L413-T454 HydrophobicContact CD1-CG2 3.75Å; Q450-T454 PolarHBondContact O-N 2.97Å; Q450-T454 PolarHBondContact O-OG1 3.38Å; A451-T454 WeakPolarHBondContact O-CB 3.35Å; A451-T454 PolarHBondContact O-N 2.84Å; A451-T454 VanDerWaalsContact O-N 3.12Å; I452-T454 PolarHBondContact O-N 3.41Å; T454-R457 PolarHBondContact O-N 3.33Å; T454-A458 PolarHBondContact O-N 3.25Å
455	L	99	Very high	98.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-38	-178.5	-67.8	166.8	0	0	0	112.5	L413 V414 W423 A451 I452 A458 Y459 F467 S470 A471	L413-L455 HydrophobicContact CB-CD2 4.11Å; L413-L455 HydrophobicContact CB-CG 4.43Å; L413-L455 HydrophobicContact CD1-CG 4.39Å; V414-L455 HydrophobicContact CG2-CD2 3.62Å; W423-L455 HydrophobicContact CH2-CD1 3.83Å; W423-L455 HydrophobicContact CZ2-CD1 3.88Å; A451-L455 WeakPolarHBondContact O-CB 3.39Å; A451-L455 VanDerWaalsContact O-CG 3.27Å; A451-L455 WeakPolarHBondContact O-CG 3.48Å; A451-L455 PolarHBondContact O-N 2.81Å; I452-L455 PolarHBondContact O-N 3Å; L455-A458 PolarHBondContact O-N 3.37Å; L455-Y459 PolarHBondContact O-N 2.99Å; L455-F467 HydrophobicContact CD2-CD1 3.84Å; L455-F467 WeakPolarHBondContact O-CB 3.17Å; L455-S470 WeakPolarHBondContact CD1-OG 3.47Å; L455-A471 HydrophobicContact CB-CB 3.94Å; L455-A471 HydrophobicContact CD1-CB 4.34Å
456	V	98.9	Very high	98.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.7	-46.5	173.7	163.8	0	0	0	0	110.7	P170 I452 A458 Y459 L460 A471 D522 L523 T526	P170-V456 HydrophobicContact CB-CG1 4.04Å; I452-V456 HydrophobicContact CG2-CG2 4.13Å; I452-V456 WeakPolarHBondContact O-CB 3.33Å; I452-V456 WeakPolarHBondContact O-CG2 3.44Å; I452-V456 PolarHBondContact O-N 3.27Å; V456-A458 VanDerWaalsContact C-N 3.3Å; V456-A458 PolarHBondContact O-N 2.9Å; V456-Y459 PolarHBondContact O-N 3.5Å; V456-L460 HydrophobicContact CG1-CD1 3.81Å; V456-L460 HydrophobicContact CG1-CG 4.39Å; V456-L460 WeakPolarHBondContact O-CB 3.32Å; V456-L460 VanDerWaalsContact O-CG 3.31Å; V456-L460 WeakPolarHBondContact O-CG 3.46Å; V456-L460 PolarHBondContact O-N 3.43Å; V456-A471 HydrophobicContact CG2-CB 4.37Å; V456-D522 HydrophobicContact CB-CB 4.27Å; V456-D522 HydrophobicContact CG1-CB 4.09Å; V456-D522 HydrophobicContact CG2-CB 4.23Å; V456-L523 HydrophobicContact CG2-CB 4.31Å; V456-L523 HydrophobicContact CG2-CD1 4.21Å; V456-T526 HydrophobicContact CG1-CG2 4.1Å; V456-T526 WeakPolarHBondContact CG1-OG1 3.25Å
457	R	98.9	Very high	98.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-38.4	176.1	-77	168.3	175.7	73.3	7.2	112.2	Y168 P170 G172 Y222 F406 S453 T454 L460 L461 D522	Y168-R457 PolarHBondContact OH-NH2 2.67Å; P170-R457 WeakPolarHBondContact O-CG 3.44Å; P170-R457 PolarHBondContact O-NE 2.98Å; P170-R457 PolarHBondContact O-NH1 2.93Å; P170-R457 PolarHBondContact O-NH2 3.34Å; G172-R457 PolarHBondContact O-NE 3.47Å; G172-R457 PolarHBondContact O-NH2 2.85Å; G172-R457 VanDerWaalsContact O-NH2 3.12Å; Y222-R457 HydrophobicContact CD1-CG 4.41Å; Y222-R457 HydrophobicContact CD2-CB 4.14Å; Y222-R457 HydrophobicContact CE1-CB 4.49Å; Y222-R457 HydrophobicContact CE1-CG 3.94Å; Y222-R457 HydrophobicContact CE2-CB 3.73Å; Y222-R457 HydrophobicContact CE2-CG 4.08Å; F406-R457 HydrophobicContact CE2-CB 4.07Å; F406-R457 HydrophobicContact CZ-CB 3.67Å; S453-R457 WeakPolarHBondContact O-CD 3.37Å; S453-R457 WeakPolarHBondContact O-CG 3.22Å; S453-R457 PolarHBondContact O-N 3.43Å; S453-R457 PolarHBondContact O-NH1 3.05Å; T454-R457 PolarHBondContact O-N 3.33Å; R457-L460 PolarHBondContact O-N 3.49Å; R457-L461 WeakPolarHBondContact O-CG 3.41Å; R457-L461 PolarHBondContact O-N 2.85Å; R457-L461 VanDerWaalsContact O-N 3.13Å; R457-D522 IonicContact CZ-OD2 3.14Å; R457-D522 IonicContact NH1-OD2 2.7Å; R457-D522 PolarHBondContact NH1-OD2 3.07Å
458	A	98.9	Very high	98.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-47.1	177.5	0	0	0	0	0	110.7	F406 F407 T454 L455 V456 L460 L461 T462 F467	F406-A458 HydrophobicContact CE1-CB 3.99Å; F406-A458 HydrophobicContact CZ-CB 3.92Å; F407-A458 HydrophobicContact CE1-CB 4.34Å; T454-A458 PolarHBondContact O-N 3.25Å; L455-A458 PolarHBondContact O-N 3.37Å; V456-A458 VanDerWaalsContact C-N 3.3Å; V456-A458 PolarHBondContact O-N 2.9Å; A458-L460 PolarHBondContact O-N 3.34Å; A458-L461 PolarHBondContact O-N 2.96Å; A458-T462 PolarHBondContact O-N 3.5Å; A458-T462 PolarHBondContact O-OG1 3.2Å; A458-F467 HydrophobicContact CB-CB 4.21Å; A458-F467 HydrophobicContact CB-CD1 3.79Å; A458-F467 HydrophobicContact CB-CD2 3.85Å; A458-F467 HydrophobicContact CB-CE1 4.08Å; A458-F467 HydrophobicContact CB-CE2 4.14Å; A458-F467 HydrophobicContact CB-CG 3.68Å; A458-F467 HydrophobicContact CB-CZ 4.25Å
459	Y	98.9	Very high	98.9	Very high	37 Å²	37	34.1 Å²	34.1	15%	0.145	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-45.5	173.4	170.4	-111.7	0	0	0	112.2	L455 V456 L461 T462 K463 D464 H465 L468 T526	L455-Y459 PolarHBondContact O-N 2.99Å; V456-Y459 PolarHBondContact O-N 3.5Å; Y459-L461 PolarHBondContact O-N 3.44Å; Y459-T462 PolarHBondContact O-N 2.9Å; Y459-K463 WeakPolarHBondContact O-CA 3.43Å; Y459-K463 PolarHBondContact O-N 3.12Å; Y459-D464 WeakPolarHBondContact CD2-O 3.33Å; Y459-H465 AromaticContact CE2-CE1 3.84Å; Y459-H465 AromaticContact CE2-ND1 3.82Å; Y459-H465 PolarHBondContact OH-CE1 3.28Å; Y459-L468 HydrophobicContact CD1-CB 4.19Å; Y459-L468 HydrophobicContact CD1-CD1 4.29Å; Y459-L468 HydrophobicContact CD1-CD2 4.4Å; Y459-L468 HydrophobicContact CD2-CB 3.77Å; Y459-L468 HydrophobicContact CE1-CD1 4.49Å; Y459-L468 HydrophobicContact CE1-CD2 3.96Å; Y459-L468 HydrophobicContact CE2-CB 4.14Å; Y459-L468 HydrophobicContact CE2-CD2 4.15Å; Y459-L468 HydrophobicContact CG-CB 3.8Å; Y459-T526 HydrophobicContact CD1-CG2 3.58Å; Y459-T526 HydrophobicContact CE1-CG2 3.73Å
460	L	98.9	Very high	98.9	Very high	43 Å²	43	34.2 Å²	34.2	23%	0.225	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-32.5	-178.5	-74.3	171	0	0	0	112.3	P170 D171 V456 R457 A458 K463 T526	P170-L460 HydrophobicContact CB-CD1 4.16Å; D171-L460 HydrophobicContact CB-CD1 3.98Å; V456-L460 HydrophobicContact CG1-CD1 3.81Å; V456-L460 HydrophobicContact CG1-CG 4.39Å; V456-L460 WeakPolarHBondContact O-CB 3.32Å; V456-L460 VanDerWaalsContact O-CG 3.31Å; V456-L460 WeakPolarHBondContact O-CG 3.46Å; V456-L460 PolarHBondContact O-N 3.43Å; R457-L460 PolarHBondContact O-N 3.49Å; A458-L460 PolarHBondContact O-N 3.34Å; L460-K463 VanDerWaalsContact O-CE 3.27Å; L460-K463 WeakPolarHBondContact O-CE 3.35Å; L460-K463 PolarHBondContact O-NZ 2.63Å; L460-T526 HydrophobicContact CD1-CG2 4.37Å; L460-T526 HydrophobicContact CD2-CG2 3.79Å; L460-T526 HydrophobicContact CG-CG2 4.01Å
461	L	98.8	Very high	98.9	Very high	88 Å²	88	34.2 Å²	34.2	46%	0.461	17%	0.171	S	C	.	.	H	α-helix	trans	-77.3	-45.4	176	-73.5	175.7	0	0	0	113.6	Y222 M403 F406 F407 R457 A458 Y459	Y222-L461 HydrophobicContact CD2-CD1 4.26Å; Y222-L461 HydrophobicContact CE2-CD1 3.64Å; Y222-L461 HydrophobicContact CE2-CG 4.22Å; M403-L461 HydrophobicContact CE-CD1 3.3Å; F406-L461 HydrophobicContact CD1-CD1 4.42Å; F406-L461 HydrophobicContact CE1-CD1 3.92Å; F407-L461 HydrophobicContact CZ-CB 4.44Å; F407-L461 HydrophobicContact CZ-CD1 4.15Å; R457-L461 WeakPolarHBondContact O-CG 3.41Å; R457-L461 PolarHBondContact O-N 2.85Å; R457-L461 VanDerWaalsContact O-N 3.13Å; A458-L461 PolarHBondContact O-N 2.96Å; Y459-L461 PolarHBondContact O-N 3.44Å
462	T	98.8	Very high	98.9	Very high	61 Å²	61	35.8 Å²	35.8	37%	0.374	18%	0.18	S	C	.	.	H	α-helix	trans	-98.4	-21.1	-169.7	63.5	0	0	0	0	113.7	F407 A458 Y459 D464 F467	F407-T462 HydrophobicContact CE1-CG2 3.59Å; F407-T462 HydrophobicContact CZ-CG2 3.66Å; A458-T462 PolarHBondContact O-N 3.5Å; A458-T462 PolarHBondContact O-OG1 3.2Å; Y459-T462 PolarHBondContact O-N 2.9Å; T462-D464 PolarHBondContact O-N 3.06Å; T462-D464 WeakPolarHBondContact OG1-CB 3.31Å; T462-D464 PolarHBondContact OG1-N 2.76Å; T462-D464 VanDerWaalsContact OG1-N 3.08Å; T462-F467 HydrophobicContact CG2-CE2 4.35Å
463	K	98.7	Very high	98.9	Very high	123 Å²	123	41 Å²	41	54%	0.535	20%	0.199	S	C	.	.			trans	57.6	16	-165.7	-48.3	-54.3	-177.1	-166.9	0	113.8	Y459 L460 H465	Y459-K463 WeakPolarHBondContact O-CA 3.43Å; Y459-K463 PolarHBondContact O-N 3.12Å; L460-K463 VanDerWaalsContact O-CE 3.27Å; L460-K463 WeakPolarHBondContact O-CE 3.35Å; L460-K463 PolarHBondContact O-NZ 2.63Å; K463-H465 PolarHBondContact O-N 2.99Å
464	D	98.6	Very high	98.9	Very high	68 Å²	68	41 Å²	41	36%	0.364	20%	0.199	S	C	.	.			trans	-76.3	111.8	174.5	-173.9	-15.2	0	0	0	110.2	Y459 T462 I466 F467	Y459-D464 WeakPolarHBondContact CD2-O 3.33Å; T462-D464 PolarHBondContact O-N 3.06Å; T462-D464 WeakPolarHBondContact OG1-CB 3.31Å; T462-D464 PolarHBondContact OG1-N 2.76Å; T462-D464 VanDerWaalsContact OG1-N 3.08Å; D464-I466 PolarHBondContact O-N 3.24Å; D464-I466 VanDerWaalsContact O-N 3.12Å; D464-I466 WeakPolarHBondContact OD1-CB 3.3Å; D464-I466 WeakPolarHBondContact OD1-CG1 3.4Å; D464-I466 PolarHBondContact OD1-N 3.07Å; D464-F467 HydrophobicContact CB-CD2 3.94Å; D464-F467 HydrophobicContact CB-CE2 4.07Å; D464-F467 PolarHBondContact O-N 3.46Å
465	H	98.6	Very high	98.9	Very high	102 Å²	102	41.3 Å²	41.3	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-63.8	-14.2	-177.9	-77.9	-81.1	0	0	0	114.1	Y459 K463 F467 L468 N469	Y459-H465 AromaticContact CE2-CE1 3.84Å; Y459-H465 AromaticContact CE2-ND1 3.82Å; Y459-H465 PolarHBondContact OH-CE1 3.28Å; K463-H465 PolarHBondContact O-N 2.99Å; H465-F467 PolarHBondContact O-N 2.68Å; H465-L468 PolarHBondContact O-N 3.13Å; H465-N469 VanDerWaalsContact O-CB 3.3Å; H465-N469 WeakPolarHBondContact O-CB 3.12Å; H465-N469 PolarHBondContact O-N 2.99Å; H465-N469 PolarHBondContact O-ND2 3.36Å
466	I	98.8	Very high	98.9	Very high	94 Å²	94	42.4 Å²	42.4	48%	0.482	21%	0.21	S	C	.	.	H	α-helix	trans	-56.2	-43.4	172.2	-68.5	174	0	0	0	110.4	V414 D464 S470	V414-I466 HydrophobicContact CG1-CG2 3.5Å; V414-I466 VanDerWaalsContact CG1-CG2 3.5Å; V414-I466 HydrophobicContact CG2-CG2 4.21Å; D464-I466 PolarHBondContact O-N 3.24Å; D464-I466 VanDerWaalsContact O-N 3.12Å; D464-I466 WeakPolarHBondContact OD1-CB 3.3Å; D464-I466 WeakPolarHBondContact OD1-CG1 3.4Å; D464-I466 PolarHBondContact OD1-N 3.07Å; I466-S470 WeakPolarHBondContact O-CB 3.41Å; I466-S470 PolarHBondContact O-N 2.93Å
467	F	98.9	Very high	98.9	Very high	13 Å²	13	42.5 Å²	42.5	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-45.5	178.7	-62.2	-62.1	0	0	0	111.9	D411 V414 L455 A458 T462 D464 H465 N469 S470 A471	D411-F467 WeakPolarHBondContact OD1-CE1 3.48Å; D411-F467 WeakPolarHBondContact OD1-CZ 3.27Å; V414-F467 HydrophobicContact CG2-CD1 3.56Å; V414-F467 HydrophobicContact CG2-CE1 3.83Å; L455-F467 HydrophobicContact CD2-CD1 3.84Å; L455-F467 WeakPolarHBondContact O-CB 3.17Å; A458-F467 HydrophobicContact CB-CB 4.21Å; A458-F467 HydrophobicContact CB-CD1 3.79Å; A458-F467 HydrophobicContact CB-CD2 3.85Å; A458-F467 HydrophobicContact CB-CE1 4.08Å; A458-F467 HydrophobicContact CB-CE2 4.14Å; A458-F467 HydrophobicContact CB-CG 3.68Å; A458-F467 HydrophobicContact CB-CZ 4.25Å; T462-F467 HydrophobicContact CG2-CE2 4.35Å; D464-F467 HydrophobicContact CB-CD2 3.94Å; D464-F467 HydrophobicContact CB-CE2 4.07Å; D464-F467 PolarHBondContact O-N 3.46Å; H465-F467 PolarHBondContact O-N 2.68Å; F467-N469 PolarHBondContact O-N 3.09Å; F467-S470 PolarHBondContact O-N 2.59Å; F467-A471 PolarHBondContact O-N 2.97Å
468	L	98.9	Very high	98.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-43.7	178.4	-178.8	61.8	0	0	0	111.7	Y459 H465 S470 A471 L472 L523 A527	Y459-L468 HydrophobicContact CD1-CB 4.19Å; Y459-L468 HydrophobicContact CD1-CD1 4.29Å; Y459-L468 HydrophobicContact CD1-CD2 4.4Å; Y459-L468 HydrophobicContact CD2-CB 3.77Å; Y459-L468 HydrophobicContact CE1-CD1 4.49Å; Y459-L468 HydrophobicContact CE1-CD2 3.96Å; Y459-L468 HydrophobicContact CE2-CB 4.14Å; Y459-L468 HydrophobicContact CE2-CD2 4.15Å; Y459-L468 HydrophobicContact CG-CB 3.8Å; H465-L468 PolarHBondContact O-N 3.13Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S470 PolarHBondContact O-N 2.93Å; L468-A471 WeakPolarHBondContact O-CB 3.27Å; L468-A471 PolarHBondContact O-N 3.44Å; L468-L472 HydrophobicContact CG-CD1 4.17Å; L468-L472 WeakPolarHBondContact O-CG 3.35Å; L468-L472 PolarHBondContact O-N 3.3Å; L468-L523 HydrophobicContact CD1-CD1 3.99Å; L468-A527 HydrophobicContact CD1-CB 4.17Å
469	N	98.9	Very high	98.8	Very high	83 Å²	83	47.2 Å²	47.2	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-64.6	-37.7	179.2	-70	-24.1	0	0	0	111.8	H465 F467 L472 R473	H465-N469 VanDerWaalsContact O-CB 3.3Å; H465-N469 WeakPolarHBondContact O-CB 3.12Å; H465-N469 PolarHBondContact O-N 2.99Å; H465-N469 PolarHBondContact O-ND2 3.36Å; F467-N469 PolarHBondContact O-N 3.09Å; N469-L472 PolarHBondContact O-N 2.84Å; N469-R473 WeakPolarHBondContact O-CG 3.38Å; N469-R473 PolarHBondContact O-N 3.32Å
470	S	98.9	Very high	98.8	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-42.8	172.9	-176.4	0	0	0	0	111.7	Q417 L455 I466 F467 L468 L472 R473 A474	Q417-S470 PolarHBondContact NE2-O 3.26Å; Q417-S470 PolarHBondContact OE1-O 3.26Å; Q417-S470 PolarHBondContact OE1-OG 2.82Å; L455-S470 WeakPolarHBondContact CD1-OG 3.47Å; I466-S470 WeakPolarHBondContact O-CB 3.41Å; I466-S470 PolarHBondContact O-N 2.93Å; F467-S470 PolarHBondContact O-N 2.59Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S470 PolarHBondContact O-N 2.93Å; S470-L472 PolarHBondContact O-N 2.89Å; S470-R473 PolarHBondContact O-N 3.3Å; S470-A474 PolarHBondContact O-N 3.19Å; S470-A474 VanDerWaalsContact O-N 3.09Å
471	A	98.9	Very high	98.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-40.9	175.4	0	0	0	0	0	112.3	I452 L455 V456 F467 L468 A474 L523	I452-A471 HydrophobicContact CG2-CB 4.4Å; L455-A471 HydrophobicContact CB-CB 3.94Å; L455-A471 HydrophobicContact CD1-CB 4.34Å; V456-A471 HydrophobicContact CG2-CB 4.37Å; F467-A471 PolarHBondContact O-N 2.97Å; L468-A471 WeakPolarHBondContact O-CB 3.27Å; L468-A471 PolarHBondContact O-N 3.44Å; A471-A474 WeakPolarHBondContact O-CB 3.34Å; A471-A474 PolarHBondContact O-N 2.91Å; A471-L523 HydrophobicContact CB-CD1 3.87Å; A471-L523 WeakPolarHBondContact O-CD2 3.11Å
472	L	98.9	Very high	98.8	Very high	33 Å²	33	48.5 Å²	48.5	17%	0.173	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-43.4	174.6	-72.8	168.4	0	0	0	112.2	L468 N469 S470 A474 T475 L523 A527 L531	L468-L472 HydrophobicContact CG-CD1 4.17Å; L468-L472 WeakPolarHBondContact O-CG 3.35Å; L468-L472 PolarHBondContact O-N 3.3Å; N469-L472 PolarHBondContact O-N 2.84Å; S470-L472 PolarHBondContact O-N 2.89Å; L472-A474 PolarHBondContact O-N 3.48Å; L472-T475 PolarHBondContact O-N 2.88Å; L472-T475 PolarHBondContact O-OG1 2.73Å; L472-L523 HydrophobicContact CD2-CD1 4.05Å; L472-L523 HydrophobicContact CD2-CD2 4.39Å; L472-L523 HydrophobicContact CD2-CG 4.4Å; L472-L523 HydrophobicContact CG-CD1 4.27Å; L472-A527 HydrophobicContact CD2-CB 4.04Å; L472-L531 HydrophobicContact CD1-CB 4.12Å; L472-L531 HydrophobicContact CD1-CD1 4.27Å; L472-L531 HydrophobicContact CD2-CB 4.17Å; L472-L531 WeakPolarHBondContact CD2-O 3.5Å
473	R	98.9	Very high	98.7	Very high	110 Å²	110	52.8 Å²	52.8	42%	0.415	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-30.3	175.4	-74.5	167.9	59.3	-148.5	-1.7	112.3	Q417 D418 G421 N469 S470 T475 A476	Q417-R473 VanDerWaalsContact OE1-NH1 3.17Å; D418-R473 PolarHBondContact O-NH2 3.12Å; G421-R473 WeakPolarHBondContact CA-O 3.45Å; N469-R473 WeakPolarHBondContact O-CG 3.38Å; N469-R473 PolarHBondContact O-N 3.32Å; S470-R473 PolarHBondContact O-N 3.3Å; R473-T475 PolarHBondContact O-N 3.08Å; R473-T475 VanDerWaalsContact O-N 3.14Å; R473-A476 WeakPolarHBondContact O-CB 3.48Å; R473-A476 PolarHBondContact O-N 3.19Å; R473-A476 VanDerWaalsContact O-N 3.08Å
474	A	98.9	Very high	98.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.5	-176.9	0	0	0	0	0	115.1	G421 W423 Q448 I452 S470 A471 L472 A476 P477 Y478	G421-A474 WeakPolarHBondContact O-CA 3.3Å; W423-A474 HydrophobicContact CH2-CB 3.57Å; W423-A474 HydrophobicContact CZ3-CB 3.58Å; Q448-A474 PolarHBondContact NE2-O 3.46Å; I452-A474 HydrophobicContact CD1-CB 3.89Å; I452-A474 HydrophobicContact CG1-CB 3.57Å; S470-A474 PolarHBondContact O-N 3.19Å; S470-A474 VanDerWaalsContact O-N 3.09Å; A471-A474 WeakPolarHBondContact O-CB 3.34Å; A471-A474 PolarHBondContact O-N 2.91Å; L472-A474 PolarHBondContact O-N 3.48Å; A474-A476 VanDerWaalsContact C-N 3.31Å; A474-P477 WeakPolarHBondContact O-CD 3.17Å; A474-Y478 WeakPolarHBondContact O-CE2 3.33Å
475	T	98.9	Very high	98.7	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.037	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.4	171.8	61.5	0	0	0	0	112.7	I452 L472 R473 Y478 L520 L523 E534 A535	I452-T475 HydrophobicContact CD1-CG2 4.5Å; L472-T475 PolarHBondContact O-N 2.88Å; L472-T475 PolarHBondContact O-OG1 2.73Å; R473-T475 PolarHBondContact O-N 3.08Å; R473-T475 VanDerWaalsContact O-N 3.14Å; T475-Y478 WeakPolarHBondContact O-CB 3.31Å; T475-Y478 WeakPolarHBondContact O-CD2 3.46Å; T475-Y478 PolarHBondContact O-N 3.24Å; T475-Y478 VanDerWaalsContact O-N 3.14Å; T475-L520 HydrophobicContact CG2-CD2 4Å; T475-L523 HydrophobicContact CG2-CD2 3.51Å; T475-E534 WeakPolarHBondContact CB-OE1 3.22Å; T475-E534 PolarHBondContact OG1-OE1 3.29Å; T475-A535 HydrophobicContact CG2-CB 4.24Å
476	A	98.8	Very high	98.7	Very high	22 Å²	22	48.4 Å²	48.4	18%	0.182	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-57.6	-45	-174	0	0	0	0	0	114.3	K420 R473 A474 Y478 K479 F480	K420-A476 VanDerWaalsContact O-CB 3.31Å; K420-A476 WeakPolarHBondContact O-CB 3.41Å; R473-A476 WeakPolarHBondContact O-CB 3.48Å; R473-A476 PolarHBondContact O-N 3.19Å; R473-A476 VanDerWaalsContact O-N 3.08Å; A474-A476 VanDerWaalsContact C-N 3.31Å; A476-Y478 PolarHBondContact O-N 3.47Å; A476-Y478 VanDerWaalsContact O-N 3.13Å; A476-K479 PolarHBondContact O-N 3.48Å; A476-K479 VanDerWaalsContact O-N 3.16Å; A476-F480 WeakPolarHBondContact O-CD2 3.32Å
477	P	98.9	Very high	98.7	Very high	3 Å²	3	44 Å²	44	2%	0.019	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.2	-24.3	178.9	-28.3	38.2	0	0	0	115	Y443 Q448 A474 K479 F480 G486 V487	Y443-P477 HydrophobicContact CD2-CB 3.99Å; Y443-P477 HydrophobicContact CD2-CG 4.08Å; Y443-P477 HydrophobicContact CE2-CG 4.3Å; Q448-P477 HydrophobicContact CG-CB 4.43Å; Q448-P477 HydrophobicContact CG-CG 4.36Å; A474-P477 WeakPolarHBondContact O-CD 3.17Å; P477-K479 PolarHBondContact O-N 3.48Å; P477-F480 PolarHBondContact O-N 3.24Å; P477-G486 WeakPolarHBondContact O-CA 3.29Å; P477-V487 HydrophobicContact CB-CG1 4.29Å; P477-V487 HydrophobicContact CB-CG2 4.24Å; P477-V487 PolarHBondContact O-N 3.05Å
478	Y	98.9	Very high	98.7	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-69	-17.1	-179.6	-67.7	-103.7	0	0	0	113.4	A445 Q448 G449 I452 A474 T475 A476 V487 Y498 S516 L520 L538	A445-Y478 HydrophobicContact CB-CE1 4.36Å; A445-Y478 PolarHBondContact O-OH 2.94Å; Q448-Y478 HydrophobicContact CB-CE2 3.47Å; Q448-Y478 VanDerWaalsContact CB-CE2 3.47Å; Q448-Y478 WeakPolarHBondContact CB-OH 3.49Å; Q448-Y478 HydrophobicContact CG-CE2 4.04Å; G449-Y478 WeakPolarHBondContact CA-OH 3.33Å; G449-Y478 PolarHBondContact N-OH 3.48Å; G449-Y478 VanDerWaalsContact N-OH 3.14Å; I452-Y478 HydrophobicContact CD1-CE2 4.34Å; A474-Y478 WeakPolarHBondContact O-CE2 3.33Å; T475-Y478 WeakPolarHBondContact O-CB 3.31Å; T475-Y478 WeakPolarHBondContact O-CD2 3.46Å; T475-Y478 PolarHBondContact O-N 3.24Å; T475-Y478 VanDerWaalsContact O-N 3.14Å; A476-Y478 PolarHBondContact O-N 3.47Å; A476-Y478 VanDerWaalsContact O-N 3.13Å; Y478-V487 HydrophobicContact CD1-CG2 4.27Å; Y478-V487 HydrophobicContact CD2-CG2 4.48Å; Y478-V487 HydrophobicContact CG-CG2 4.16Å; Y478-Y498 AromaticContact CD1-CD1 3.6Å; Y478-Y498 HydrophobicContact CD1-CD1 3.6Å; Y478-Y498 AromaticContact CD1-CD2 3.67Å; Y478-Y498 HydrophobicContact CD1-CD2 3.67Å; Y478-Y498 HydrophobicContact CD1-CE1 4.02Å; Y478-Y498 HydrophobicContact CD1-CE2 4.08Å; Y478-Y498 AromaticContact CD1-CG 3.42Å; Y478-Y498 HydrophobicContact CD1-CG 3.42Å; Y478-Y498 VanDerWaalsContact CD1-CG 3.42Å; Y478-Y498 HydrophobicContact CE1-CD1 4.41Å; Y478-Y498 AromaticContact CE1-CD2 3.81Å; Y478-Y498 HydrophobicContact CE1-CD2 3.81Å; Y478-Y498 HydrophobicContact CE1-CE2 4.47Å; Y478-Y498 AromaticContact CE1-CG 3.79Å; Y478-Y498 HydrophobicContact CE1-CG 3.79Å; Y478-Y498 HydrophobicContact CG-CD1 4.47Å; Y478-S516 WeakPolarHBondContact OH-CB 3.25Å; Y478-L520 HydrophobicContact CD1-CD1 4.1Å; Y478-L520 HydrophobicContact CE1-CD1 3.89Å; Y478-L520 HydrophobicContact CE1-CG 4.27Å; Y478-L520 HydrophobicContact CE2-CD2 4.46Å; Y478-L538 HydrophobicContact CG-CD1 4.24Å
479	K	98.8	Very high	98.7	Very high	98 Å²	98	45.3 Å²	45.3	43%	0.426	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-86.7	-17.8	-177.9	-66	-179.8	-69	-160.9	0	113.4	A476 P477 E534	A476-K479 PolarHBondContact O-N 3.48Å; A476-K479 VanDerWaalsContact O-N 3.16Å; P477-K479 PolarHBondContact O-N 3.48Å; K479-E534 WeakPolarHBondContact CD-OE2 3.46Å; K479-E534 VanDerWaalsContact CE-OE1 3.31Å; K479-E534 WeakPolarHBondContact CE-OE1 3.19Å; K479-E534 IonicContact NZ-OE1 2.82Å; K479-E534 PolarHBondContact NZ-OE1 3.18Å; K479-E534 IonicContact NZ-OE2 3.24Å; K479-E534 PolarHBondContact NZ-OE2 3.32Å
480	F	98.8	Very high	98.7	Very high	103 Å²	103	43.7 Å²	43.7	45%	0.452	21%	0.209	S	C	.	.	S	Bend	trans	-108.6	143.1	-174	-58.5	-77.9	0	0	0	110.9	A476 P477 Q484 G486 V487 K488	A476-F480 WeakPolarHBondContact O-CD2 3.32Å; P477-F480 PolarHBondContact O-N 3.24Å; F480-Q484 HydrophobicContact CB-CB 4.21Å; F480-G486 CarbonylContact O-C 3.5Å; F480-G486 WeakPolarHBondContact O-CA 3.34Å; F480-V487 PolarHBondContact O-N 3.17Å; F480-K488 WeakPolarHBondContact O-CB 3.23Å; F480-K488 PolarHBondContact O-N 3.34Å
481	L	98.9	Very high	98.7	Very high	74 Å²	74	44.6 Å²	44.6	39%	0.387	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-63.5	157.7	175.8	-66	173	0	0	0	111	E483 Q484 G486 K488 V490	L481-E483 PolarHBondContact O-N 3.28Å; L481-Q484 HydrophobicContact CB-CG 4.3Å; L481-Q484 CarbonylContact O-C 3.51Å; L481-Q484 WeakPolarHBondContact O-CA 3.11Å; L481-Q484 WeakPolarHBondContact O-CB 3.32Å; L481-Q484 PolarHBondContact O-N 2.88Å; L481-G486 WeakPolarHBondContact O-CA 3.34Å; L481-G486 PolarHBondContact O-N 2.85Å; L481-K488 CarbonylContact C-O 3.49Å; L481-K488 WeakPolarHBondContact CA-O 3.48Å; L481-K488 HydrophobicContact CD2-CB 4.38Å; L481-K488 HydrophobicContact CD2-CD 4.43Å; L481-K488 HydrophobicContact CD2-CG 4.31Å; L481-V490 HydrophobicContact CD2-CG2 4.31Å
482	S	97.9	Very high	98.7	Very high	18 Å²	18	50.3 Å²	50.3	13%	0.126	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-50.1	-43.7	175.9	-63.9	0	0	0	0	112.4	Q484 H485 K488 P502	S482-Q484 PolarHBondContact O-N 3.46Å; S482-H485 PolarHBondContact O-N 2.78Å; S482-K488 PolarHBondContact N-O 3.08Å; S482-K488 PolarHBondContact OG-O 3.47Å; S482-P502 WeakPolarHBondContact OG-CA 3.46Å; S482-P502 VanDerWaalsContact OG-CB 3.31Å; S482-P502 WeakPolarHBondContact OG-CB 3.37Å
483	E	97.5	Very high	98.6	Very high	150 Å²	150	56.4 Å²	56.4	70%	0.701	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-70.4	-18.4	178.6	-57.5	-168.5	169.9	0	0	113.9	L481 H485 T504	L481-E483 PolarHBondContact O-N 3.28Å; E483-H485 VanDerWaalsContact C-N 3.28Å; E483-T504 WeakPolarHBondContact OE1-CG2 3.49Å; E483-T504 PolarHBondContact OE1-OG1 3.47Å
484	Q	98.3	Very high	98.6	Very high	120 Å²	120	58.5 Å²	58.5	56%	0.561	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-96.2	22	177.2	-62.5	172.9	-34.2	0	0	111.7	F480 L481 S482 G486	F480-Q484 HydrophobicContact CB-CB 4.21Å; L481-Q484 HydrophobicContact CB-CG 4.3Å; L481-Q484 CarbonylContact O-C 3.51Å; L481-Q484 WeakPolarHBondContact O-CA 3.11Å; L481-Q484 WeakPolarHBondContact O-CB 3.32Å; L481-Q484 PolarHBondContact O-N 2.88Å; S482-Q484 PolarHBondContact O-N 3.46Å; Q484-G486 PolarHBondContact O-N 2.86Å
485	H	98.3	Very high	98.6	Very high	81 Å²	81	59.7 Å²	59.7	38%	0.375	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	30.6	-177.2	-149.9	92.7	0	0	0	112.9	G441 Y443 S482 E483	G441-H485 PolarHBondContact O-CE1 2.86Å; G441-H485 PolarHBondContact O-NE2 3.03Å; G441-H485 VanDerWaalsContact O-NE2 3.15Å; Y443-H485 AromaticContact CD2-CD2 4Å; Y443-H485 VanDerWaalsContact CD2-O 3.24Å; Y443-H485 WeakPolarHBondContact CD2-O 3.28Å; Y443-H485 AromaticContact CE2-CD2 3.37Å; Y443-H485 WeakPolarHBondContact CE2-CD2 3.44Å; Y443-H485 AromaticContact CE2-NE2 3.92Å; Y443-H485 VanDerWaalsContact CE2-O 3.28Å; Y443-H485 WeakPolarHBondContact CE2-O 3.35Å; Y443-H485 AromaticContact CZ-CD2 3.73Å; Y443-H485 AromaticContact CZ-NE2 3.82Å; S482-H485 PolarHBondContact O-N 2.78Å; E483-H485 VanDerWaalsContact C-N 3.28Å
486	G	98.6	Very high	98.6	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.01	29%	0.292	C	S	.	.	S	Bend	trans	-107.4	-163.6	169.9	0	0	0	0	0	112.5	P477 F480 L481 Q484	P477-G486 WeakPolarHBondContact O-CA 3.29Å; F480-G486 CarbonylContact O-C 3.5Å; F480-G486 WeakPolarHBondContact O-CA 3.34Å; L481-G486 WeakPolarHBondContact O-CA 3.34Å; L481-G486 PolarHBondContact O-N 2.85Å; Q484-G486 PolarHBondContact O-N 2.86Å
487	V	98.9	Very high	98.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.283	C	S	.	.			trans	-122.2	7.6	178	-57.6	0	0	0	0	112.8	A445 P477 Y478 F480 Y498 E499	A445-V487 HydrophobicContact CB-CB 4.15Å; A445-V487 HydrophobicContact CB-CG2 3.98Å; P477-V487 HydrophobicContact CB-CG1 4.29Å; P477-V487 HydrophobicContact CB-CG2 4.24Å; P477-V487 PolarHBondContact O-N 3.05Å; Y478-V487 HydrophobicContact CD1-CG2 4.27Å; Y478-V487 HydrophobicContact CD2-CG2 4.48Å; Y478-V487 HydrophobicContact CG-CG2 4.16Å; F480-V487 PolarHBondContact O-N 3.17Å; V487-Y498 CarbonylContact O-C 3.54Å; V487-Y498 WeakPolarHBondContact O-CA 3.34Å; V487-E499 WeakPolarHBondContact O-CB 3.18Å; V487-E499 PolarHBondContact O-N 3.33Å
488	K	98.9	Very high	98.6	Very high	43 Å²	43	58.7 Å²	58.7	19%	0.187	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.8	179.6	-168.3	179.2	175.3	172.2	0	111.5	F480 L481 S482 D496 W497	F480-K488 WeakPolarHBondContact O-CB 3.23Å; F480-K488 PolarHBondContact O-N 3.34Å; L481-K488 CarbonylContact C-O 3.49Å; L481-K488 WeakPolarHBondContact CA-O 3.48Å; L481-K488 HydrophobicContact CD2-CB 4.38Å; L481-K488 HydrophobicContact CD2-CD 4.43Å; L481-K488 HydrophobicContact CD2-CG 4.31Å; S482-K488 PolarHBondContact N-O 3.08Å; S482-K488 PolarHBondContact OG-O 3.47Å; K488-D496 WeakPolarHBondContact CE-OD1 3.09Å; K488-D496 VanDerWaalsContact CE-OD2 3.29Å; K488-D496 WeakPolarHBondContact CE-OD2 3.29Å; K488-D496 IonicContact NZ-OD1 2.94Å; K488-D496 PolarHBondContact NZ-OD1 3.31Å; K488-D496 IonicContact NZ-OD2 2.86Å; K488-D496 PolarHBondContact NZ-OD2 3.45Å; K488-W497 CarbonylContact C-O 3.6Å; K488-W497 WeakPolarHBondContact CA-O 3.42Å
489	A	98.9	Very high	98.6	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164.8	161.2	0	0	0	0	0	109.3	W497 E499 S506 F508	A489-W497 HydrophobicContact CB-CB 4.29Å; A489-W497 PolarHBondContact N-O 2.98Å; A489-W497 PolarHBondContact O-N 3.05Å; A489-E499 HydrophobicContact CB-CG 3.64Å; A489-S506 VanDerWaalsContact CB-OG 3.28Å; A489-S506 WeakPolarHBondContact CB-OG 3.47Å; A489-F508 HydrophobicContact CB-CE1 3.87Å; A489-F508 HydrophobicContact CB-CZ 4.14Å
490	V	98.9	Very high	98.6	Very high	50 Å²	50	54.1 Å²	54.1	30%	0.303	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	110.9	175	-174.8	0	0	0	0	108.5	L481 M492 H495	L481-V490 HydrophobicContact CD2-CG2 4.31Å; V490-M492 PolarHBondContact O-N 3.49Å; V490-H495 CarbonylContact C-O 3.58Å; V490-H495 VanDerWaalsContact CA-O 3.31Å; V490-H495 WeakPolarHBondContact CA-O 3.24Å
491	F	98.8	Very high	98.6	Very high	22 Å²	22	49.7 Å²	49.7	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.3	177.5	-176.9	-102.8	0	0	0	109.7	N493 K494 H495 F508 M549 L552 L563 F566	F491-N493 PolarHBondContact O-N 3.38Å; F491-N493 VanDerWaalsContact O-N 3.14Å; F491-K494 PolarHBondContact O-N 2.7Å; F491-H495 HydrophobicContact CB-CB 4.24Å; F491-H495 PolarHBondContact N-O 2.85Å; F491-H495 PolarHBondContact O-N 2.79Å; F491-H495 VanDerWaalsContact O-N 3.09Å; F491-F508 HydrophobicContact CB-CD1 4.32Å; F491-F508 HydrophobicContact CB-CE1 3.63Å; F491-F508 HydrophobicContact CB-CZ 3.85Å; F491-F508 HydrophobicContact CD2-CD1 4.5Å; F491-F508 HydrophobicContact CD2-CD2 4.3Å; F491-F508 HydrophobicContact CD2-CE1 4.21Å; F491-F508 AromaticContact CD2-CE2 3.96Å; F491-F508 HydrophobicContact CD2-CE2 3.96Å; F491-F508 AromaticContact CD2-CZ 3.92Å; F491-F508 HydrophobicContact CD2-CZ 3.92Å; F491-F508 HydrophobicContact CG-CE1 4.42Å; F491-F508 HydrophobicContact CG-CZ 4.41Å; F491-M549 HydrophobicContact CB-CE 3.63Å; F491-M549 HydrophobicContact CB-SD 3.77Å; F491-M549 HydrophobicContact CD1-CE 3.85Å; F491-M549 HydrophobicContact CD1-CG 4.27Å; F491-M549 HydrophobicContact CD1-SD 3.99Å; F491-M549 HydrophobicContact CD2-CE 3.77Å; F491-M549 HydrophobicContact CE1-CE 4.46Å; F491-M549 HydrophobicContact CE2-CE 4.4Å; F491-M549 HydrophobicContact CG-CE 3.46Å; F491-M549 VanDerWaalsContact CG-CE 3.46Å; F491-M549 HydrophobicContact CG-SD 3.96Å; F491-L552 HydrophobicContact CE1-CD1 3.84Å; F491-L552 HydrophobicContact CE2-CD1 4.48Å; F491-L552 HydrophobicContact CZ-CD1 3.68Å; F491-L563 HydrophobicContact CD2-CD1 4.21Å; F491-L563 HydrophobicContact CE2-CD1 3.87Å; F491-L563 HydrophobicContact CZ-CD1 4.45Å; F491-F566 AromaticContact CE2-CD1 3.84Å; F491-F566 HydrophobicContact CE2-CD1 3.84Å; F491-F566 AromaticContact CE2-CE1 3.82Å; F491-F566 HydrophobicContact CE2-CE1 3.82Å; F491-F566 HydrophobicContact CZ-CD1 4.24Å; F491-F566 AromaticContact CZ-CE1 3.98Å; F491-F566 HydrophobicContact CZ-CE1 3.98Å; F491-F566 HydrophobicContact CZ-CZ 4.45Å
492	M	98	Very high	98.6	Very high	119 Å²	119	46.7 Å²	46.7	59%	0.586	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	41.7	176.1	-59.3	-56.9	-70.1	0	0	113.8	V490 K494 F566	V490-M492 PolarHBondContact O-N 3.49Å; M492-K494 PolarHBondContact O-N 2.78Å; M492-F566 HydrophobicContact CE-CZ 4.29Å; M492-F566 HydrophobicContact CG-CE1 4.25Å; M492-F566 HydrophobicContact CG-CZ 4.42Å; M492-F566 HydrophobicContact SD-CE1 3.64Å; M492-F566 HydrophobicContact SD-CZ 3.84Å
493	N	98.2	Very high	98.6	Very high	161 Å²	161	45.9 Å²	45.9	86%	0.861	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	19.9	-178.5	-61.1	-45.3	0	0	0	115	F491	F491-N493 PolarHBondContact O-N 3.38Å; F491-N493 VanDerWaalsContact O-N 3.14Å
494	K	98.4	Very high	98.6	Very high	154 Å²	154	40.6 Å²	40.6	67%	0.67	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.3	-48.6	-172.8	-172.7	175.5	177.5	-176.7	0	113.9	F491 M492	F491-K494 PolarHBondContact O-N 2.7Å; M492-K494 PolarHBondContact O-N 2.78Å
495	H	98.7	Very high	98.6	Very high	25 Å²	25	36.9 Å²	36.9	12%	0.116	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.9	-169.6	-65.3	-66.5	0	0	0	111.3	V490 F491 A548 M549	V490-H495 CarbonylContact C-O 3.58Å; V490-H495 VanDerWaalsContact CA-O 3.31Å; V490-H495 WeakPolarHBondContact CA-O 3.24Å; F491-H495 HydrophobicContact CB-CB 4.24Å; F491-H495 PolarHBondContact N-O 2.85Å; F491-H495 PolarHBondContact O-N 2.79Å; F491-H495 VanDerWaalsContact O-N 3.09Å; H495-A548 VanDerWaalsContact CE1-CB 3.44Å; H495-A548 WeakPolarHBondContact CE1-CB 3.39Å; H495-M549 HydrophobicContact CB-SD 3.77Å
496	D	98.8	Very high	98.7	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.7	174.4	-80	2.8	0	0	0	110	K488 R541 S545	K488-D496 WeakPolarHBondContact CE-OD1 3.09Å; K488-D496 VanDerWaalsContact CE-OD2 3.29Å; K488-D496 WeakPolarHBondContact CE-OD2 3.29Å; K488-D496 IonicContact NZ-OD1 2.94Å; K488-D496 PolarHBondContact NZ-OD1 3.31Å; K488-D496 IonicContact NZ-OD2 2.86Å; K488-D496 PolarHBondContact NZ-OD2 3.45Å; D496-R541 IonicContact OD1-NH2 3.57Å; D496-R541 PolarHBondContact OD1-NH2 3.47Å; D496-R541 IonicContact OD2-CZ 3.21Å; D496-R541 IonicContact OD2-NE 2.76Å; D496-R541 PolarHBondContact OD2-NE 3.31Å; D496-R541 IonicContact OD2-NH2 2.82Å; D496-R541 PolarHBondContact OD2-NH2 2.85Å; D496-S545 PolarHBondContact N-OG 2.84Å; D496-S545 WeakPolarHBondContact O-CB 3.41Å; D496-S545 PolarHBondContact O-OG 3.08Å
497	W	98.9	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.5	178.5	-165	-90.2	0	0	0	111.1	K488 A489 F508 L510 F513 M549 Y553	K488-W497 CarbonylContact C-O 3.6Å; K488-W497 WeakPolarHBondContact CA-O 3.42Å; A489-W497 HydrophobicContact CB-CB 4.29Å; A489-W497 PolarHBondContact N-O 2.98Å; A489-W497 PolarHBondContact O-N 3.05Å; W497-F508 HydrophobicContact CB-CD1 3.77Å; W497-F508 HydrophobicContact CB-CE1 3.77Å; W497-F508 AromaticContact CD1-CD1 3.7Å; W497-F508 AromaticContact CD2-CD1 3.86Å; W497-F508 HydrophobicContact CD2-CD1 3.86Å; W497-F508 AromaticContact CG-CD1 3.5Å; W497-F508 HydrophobicContact CG-CD1 3.5Å; W497-F508 VanDerWaalsContact CG-CD1 3.5Å; W497-F508 HydrophobicContact CG-CE1 4.04Å; W497-L510 HydrophobicContact CH2-CD1 4.03Å; W497-F513 HydrophobicContact CD2-CB 4.31Å; W497-F513 AromaticContact CD2-CD1 3.84Å; W497-F513 HydrophobicContact CD2-CD1 3.84Å; W497-F513 AromaticContact CD2-CD2 3.87Å; W497-F513 HydrophobicContact CD2-CD2 3.87Å; W497-F513 AromaticContact CD2-CE1 3.99Å; W497-F513 HydrophobicContact CD2-CE1 3.99Å; W497-F513 HydrophobicContact CD2-CE2 4.04Å; W497-F513 AromaticContact CD2-CG 3.75Å; W497-F513 HydrophobicContact CD2-CG 3.75Å; W497-F513 HydrophobicContact CD2-CZ 4.08Å; W497-F513 VanDerWaalsContact CE2-CB 3.48Å; W497-F513 AromaticContact CE2-CD1 3.67Å; W497-F513 AromaticContact CE2-CD2 3.9Å; W497-F513 AromaticContact CE2-CG 3.41Å; W497-F513 VanDerWaalsContact CE2-CG 3.41Å; W497-F513 AromaticContact CE3-CD1 3.69Å; W497-F513 HydrophobicContact CE3-CD1 3.69Å; W497-F513 HydrophobicContact CE3-CD2 4.35Å; W497-F513 AromaticContact CE3-CE1 3.49Å; W497-F513 HydrophobicContact CE3-CE1 3.49Å; W497-F513 VanDerWaalsContact CE3-CE1 3.49Å; W497-F513 HydrophobicContact CE3-CE2 4.21Å; W497-F513 HydrophobicContact CE3-CG 4.1Å; W497-F513 AromaticContact CE3-CZ 3.77Å; W497-F513 HydrophobicContact CE3-CZ 3.77Å; W497-F513 HydrophobicContact CG-CD2 4.08Å; W497-F513 HydrophobicContact CG-CE2 4.21Å; W497-F513 HydrophobicContact CG-CG 4.38Å; W497-F513 HydrophobicContact CH2-CB 4.17Å; W497-F513 AromaticContact CH2-CD1 3.27Å; W497-F513 HydrophobicContact CH2-CD1 3.27Å; W497-F513 AromaticContact CH2-CE1 3.78Å; W497-F513 HydrophobicContact CH2-CE1 3.78Å; W497-F513 AromaticContact CH2-CG 3.9Å; W497-F513 HydrophobicContact CH2-CG 3.9Å; W497-F513 HydrophobicContact CZ2-CB 3.41Å; W497-F513 VanDerWaalsContact CZ2-CB 3.41Å; W497-F513 AromaticContact CZ2-CD1 3.41Å; W497-F513 HydrophobicContact CZ2-CD1 3.41Å; W497-F513 VanDerWaalsContact CZ2-CD1 3.41Å; W497-F513 HydrophobicContact CZ2-CD2 4.43Å; W497-F513 HydrophobicContact CZ2-CE1 4.23Å; W497-F513 AromaticContact CZ2-CG 3.51Å; W497-F513 HydrophobicContact CZ2-CG 3.51Å; W497-F513 AromaticContact CZ3-CD1 3.41Å; W497-F513 HydrophobicContact CZ3-CD1 3.41Å; W497-F513 VanDerWaalsContact CZ3-CD1 3.41Å; W497-F513 AromaticContact CZ3-CE1 3.37Å; W497-F513 HydrophobicContact CZ3-CE1 3.37Å; W497-F513 HydrophobicContact CZ3-CG 4.17Å; W497-F513 HydrophobicContact CZ3-CZ 4.13Å; W497-F513 AromaticContact NE1-CG 3.81Å; W497-M549 HydrophobicContact CD2-CE 4.4Å; W497-M549 HydrophobicContact CE3-CE 3.69Å; W497-M549 HydrophobicContact CE3-SD 3.55Å; W497-M549 VanDerWaalsContact CE3-SD 3.55Å; W497-M549 HydrophobicContact CH2-CE 4.47Å; W497-M549 HydrophobicContact CZ3-CB 4.11Å; W497-M549 HydrophobicContact CZ3-CE 3.74Å; W497-M549 HydrophobicContact CZ3-SD 3.69Å; W497-Y553 AromaticContact CH2-CE2 3.94Å; W497-Y553 HydrophobicContact CH2-CE2 3.94Å; W497-Y553 AromaticContact CH2-CZ 3.91Å; W497-Y553 WeakPolarHBondContact CH2-OH 3.32Å; W497-Y553 WeakPolarHBondContact CZ2-OH 3.4Å
498	Y	98.9	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.8	178.7	-44.1	-48.9	0	0	0	109.3	A445 Y478 V487 F513 S516 L517 L520 L538	A445-Y498 VanDerWaalsContact CB-C 3.42Å; A445-Y498 WeakPolarHBondContact CB-O 3.18Å; Y478-Y498 AromaticContact CD1-CD1 3.6Å; Y478-Y498 HydrophobicContact CD1-CD1 3.6Å; Y478-Y498 AromaticContact CD1-CD2 3.67Å; Y478-Y498 HydrophobicContact CD1-CD2 3.67Å; Y478-Y498 HydrophobicContact CD1-CE1 4.02Å; Y478-Y498 HydrophobicContact CD1-CE2 4.08Å; Y478-Y498 AromaticContact CD1-CG 3.42Å; Y478-Y498 HydrophobicContact CD1-CG 3.42Å; Y478-Y498 VanDerWaalsContact CD1-CG 3.42Å; Y478-Y498 HydrophobicContact CE1-CD1 4.41Å; Y478-Y498 AromaticContact CE1-CD2 3.81Å; Y478-Y498 HydrophobicContact CE1-CD2 3.81Å; Y478-Y498 HydrophobicContact CE1-CE2 4.47Å; Y478-Y498 AromaticContact CE1-CG 3.79Å; Y478-Y498 HydrophobicContact CE1-CG 3.79Å; Y478-Y498 HydrophobicContact CG-CD1 4.47Å; V487-Y498 CarbonylContact O-C 3.54Å; V487-Y498 WeakPolarHBondContact O-CA 3.34Å; Y498-F513 AromaticContact CD2-CD2 3.93Å; Y498-F513 HydrophobicContact CD2-CD2 3.93Å; Y498-F513 AromaticContact CD2-CE2 3.45Å; Y498-F513 HydrophobicContact CD2-CE2 3.45Å; Y498-F513 VanDerWaalsContact CD2-CE2 3.45Å; Y498-F513 HydrophobicContact CE2-CE2 4.07Å; Y498-F513 HydrophobicContact CG-CD2 4.11Å; Y498-F513 AromaticContact CG-CE2 3.83Å; Y498-F513 HydrophobicContact CG-CE2 3.83Å; Y498-F513 VanDerWaalsContact N-CD2 3.25Å; Y498-F513 VanDerWaalsContact N-CE2 3.29Å; Y498-S516 WeakPolarHBondContact CD2-OG 3.3Å; Y498-L517 HydrophobicContact CD2-CD2 3.83Å; Y498-L517 HydrophobicContact CE2-CD2 3.67Å; Y498-L520 HydrophobicContact CD2-CD1 4.21Å; Y498-L520 HydrophobicContact CE2-CD1 3.78Å; Y498-L538 HydrophobicContact CE1-CD2 4.29Å; Y498-L538 WeakPolarHBondContact OH-CA 3.38Å; Y498-L538 PolarHBondContact OH-O 3.46Å
499	E	98.9	Very high	98.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.			trans	-77.3	126.9	-166.9	-73.8	-81.5	-148	0	0	112.7	A445 V487 A489 Y501 P502 S506 S507 F508	A445-E499 WeakPolarHBondContact CB-O 3.47Å; A445-E499 PolarHBondContact N-O 3.03Å; V487-E499 WeakPolarHBondContact O-CB 3.18Å; V487-E499 PolarHBondContact O-N 3.33Å; A489-E499 HydrophobicContact CB-CG 3.64Å; E499-Y501 VanDerWaalsContact C-N 3.25Å; E499-P502 HydrophobicContact CB-CB 4.28Å; E499-S506 WeakPolarHBondContact OE1-CA 3.43Å; E499-S506 WeakPolarHBondContact OE1-CB 3.35Å; E499-S506 PolarHBondContact OE1-OG 3.02Å; E499-S507 PolarHBondContact OE1-N 2.87Å; E499-S507 PolarHBondContact OE2-OG 3.49Å; E499-S507 VanDerWaalsContact OE2-OG 3.06Å; E499-F508 PolarHBondContact OE1-N 2.96Å; E499-F508 PolarHBondContact OE2-N 3.42Å
500	E	98.8	Very high	98.6	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	17%	0.167	C	C	.	.	S	Bend	trans	-61.3	-40.9	164.3	-170.9	-179.6	136.2	0	0	110.4	S444 M446 V509 N511 G512 Y561	S444-E500 WeakPolarHBondContact CB-O 3.45Å; S444-E500 PolarHBondContact OG-O 3.41Å; M446-E500 HydrophobicContact CB-CG 4.05Å; M446-E500 HydrophobicContact SD-CG 4.16Å; E500-V509 HydrophobicContact CB-CB 3.92Å; E500-V509 HydrophobicContact CB-CG1 4.33Å; E500-V509 HydrophobicContact CB-CG2 4.32Å; E500-V509 WeakPolarHBondContact OE2-CG1 3.36Å; E500-N511 PolarHBondContact OE2-ND2 3.4Å; E500-G512 WeakPolarHBondContact OE2-CA 3.46Å; E500-G512 PolarHBondContact OE2-N 3.48Å; E500-Y561 PolarHBondContact OE1-OH 3.14Å
501	Y	98.8	Very high	98.6	Very high	10 Å²	10	30 Å²	30	4%	0.039	15%	0.154	C	C	.	.	S	Bend	trans	-125.4	107.8	174.8	-54.6	-71.7	0	0	0	108.1	W203 R429 L431 W442 E499 T503 S507 V509	W203-Y501 AromaticContact CH2-CE1 3.8Å; W203-Y501 HydrophobicContact CH2-CE1 3.8Å; W203-Y501 HydrophobicContact CZ2-CE1 4.05Å; R429-Y501 HydrophobicContact CG-CD1 4.15Å; R429-Y501 HydrophobicContact CG-CE1 4.29Å; L431-Y501 HydrophobicContact CD1-CD2 3.64Å; L431-Y501 HydrophobicContact CD1-CE2 3.9Å; L431-Y501 HydrophobicContact CD1-CG 4.09Å; L431-Y501 HydrophobicContact CD2-CD2 4.18Å; L431-Y501 HydrophobicContact CD2-CG 4.42Å; W442-Y501 AromaticContact CH2-CD1 3.79Å; W442-Y501 HydrophobicContact CH2-CD1 3.79Å; W442-Y501 AromaticContact CH2-CE1 3.95Å; W442-Y501 HydrophobicContact CH2-CE1 3.95Å; W442-Y501 AromaticContact CZ3-CD1 3.81Å; W442-Y501 HydrophobicContact CZ3-CD1 3.81Å; W442-Y501 HydrophobicContact CZ3-CE1 4.33Å; E499-Y501 VanDerWaalsContact C-N 3.25Å; Y501-T503 PolarHBondContact O-N 3.42Å; Y501-S507 PolarHBondContact O-OG 2.99Å; Y501-V509 HydrophobicContact CD2-CG2 3.76Å; Y501-V509 HydrophobicContact CE2-CG2 4.1Å
502	P	98.6	Very high	98.6	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.065	15%	0.149	C	C	.	.			trans	-75.6	64	-177.5	32.7	-38	0	0	0	111.3	L438 W442 Y443 S482 E499	L438-P502 HydrophobicContact CD2-CG 4.49Å; L438-P502 VanDerWaalsContact CD2-O 3.27Å; L438-P502 WeakPolarHBondContact CD2-O 3.22Å; W442-P502 HydrophobicContact CB-CG 4.39Å; W442-P502 HydrophobicContact CE3-CG 4.45Å; Y443-P502 WeakPolarHBondContact O-CD 3.5Å; Y443-P502 WeakPolarHBondContact O-CG 3.35Å; S482-P502 WeakPolarHBondContact OG-CA 3.46Å; S482-P502 VanDerWaalsContact OG-CB 3.31Å; S482-P502 WeakPolarHBondContact OG-CB 3.37Å; E499-P502 HydrophobicContact CB-CB 4.28Å
503	T	98.6	Very high	98.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.122	C	C	.	.			trans	-81	161.8	-175.7	55.5	0	0	0	0	112.7	L431 F435 L438 Y501 P505 S506 S507	L431-T503 HydrophobicContact CB-CG2 4.22Å; L431-T503 HydrophobicContact CD2-CG2 3.9Å; F435-T503 HydrophobicContact CB-CG2 4.4Å; F435-T503 HydrophobicContact CD1-CG2 4.34Å; F435-T503 HydrophobicContact CG-CG2 4.47Å; L438-T503 HydrophobicContact CD1-CG2 4.07Å; L438-T503 HydrophobicContact CD2-CG2 4.17Å; L438-T503 HydrophobicContact CG-CG2 4.16Å; Y501-T503 PolarHBondContact O-N 3.42Å; T503-P505 CarbonylContact C-O 3.6Å; T503-P505 WeakPolarHBondContact CB-O 3.44Å; T503-P505 CarbonylContact O-C 3.55Å; T503-P505 VanDerWaalsContact O-C 3.25Å; T503-P505 VanDerWaalsContact O-O 3.1Å; T503-P505 PolarHBondContact OG1-O 3.05Å; T503-S506 PolarHBondContact O-N 3.06Å; T503-S507 WeakPolarHBondContact OG1-CB 3.49Å; T503-S507 PolarHBondContact OG1-N 3.14Å
504	T	98.3	Very high	98.7	Very high	40 Å²	40	15.6 Å²	15.6	25%	0.245	8%	0.081	C	C	.	.	S	Bend	trans	-118.1	121.4	163.3	-56.2	0	0	0	0	108.7	K436 E483	K436-T504 HydrophobicContact CD-CG2 4.45Å; K436-T504 PolarHBondContact N-O 3.37Å; E483-T504 WeakPolarHBondContact OE1-CG2 3.49Å; E483-T504 PolarHBondContact OE1-OG1 3.47Å
505	P	98.4	Very high	98.7	Very high	41 Å²	41	8.5 Å²	8.5	27%	0.266	5%	0.05	S	C	.	.	S	Bend	cis	-63.2	167.6	-10.2	30.1	-34.9	0	0	0	112.2	G434 F435 T503 M567 L568	G434-P505 WeakPolarHBondContact O-CD 3.17Å; F435-P505 HydrophobicContact CD1-CG 4.2Å; F435-P505 WeakPolarHBondContact CD1-O 3.43Å; F435-P505 HydrophobicContact CE1-CG 4.13Å; F435-P505 VanDerWaalsContact CE1-O 3.23Å; F435-P505 WeakPolarHBondContact CE1-O 3.22Å; T503-P505 CarbonylContact C-O 3.6Å; T503-P505 WeakPolarHBondContact CB-O 3.44Å; T503-P505 CarbonylContact O-C 3.55Å; T503-P505 VanDerWaalsContact O-C 3.25Å; T503-P505 VanDerWaalsContact O-O 3.1Å; T503-P505 PolarHBondContact OG1-O 3.05Å; P505-M567 HydrophobicContact CB-CE 4.39Å; P505-L568 HydrophobicContact CG-CD2 3.51Å
506	S	98.6	Very high	98.7	Very high	26 Å²	26	7.3 Å²	7.3	18%	0.182	4%	0.044	C	C	.	.			trans	-59	145.8	177.9	-68.3	0	0	0	0	112.3	A489 E499 T503 F508 M567	A489-S506 VanDerWaalsContact CB-OG 3.28Å; A489-S506 WeakPolarHBondContact CB-OG 3.47Å; E499-S506 WeakPolarHBondContact OE1-CA 3.43Å; E499-S506 WeakPolarHBondContact OE1-CB 3.35Å; E499-S506 PolarHBondContact OE1-OG 3.02Å; T503-S506 PolarHBondContact O-N 3.06Å; S506-F508 VanDerWaalsContact CB-CZ 3.48Å; S506-M567 WeakPolarHBondContact O-CG 3.28Å
507	S	98.2	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.			trans	-101.7	-33.6	-173.5	68.6	0	0	0	0	113.4	E499 Y501 T503 L563	E499-S507 PolarHBondContact OE1-N 2.87Å; E499-S507 PolarHBondContact OE2-OG 3.49Å; E499-S507 VanDerWaalsContact OE2-OG 3.06Å; Y501-S507 PolarHBondContact O-OG 2.99Å; T503-S507 WeakPolarHBondContact OG1-CB 3.49Å; T503-S507 PolarHBondContact OG1-N 3.14Å; S507-L563 PolarHBondContact O-N 3.19Å; S507-L563 VanDerWaalsContact O-N 3.13Å
508	F	98.8	Very high	98.7	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.009	4%	0.042	C	C	.	.			trans	54.7	59.8	-179.3	-53.6	-81.4	0	0	0	112.2	A489 F491 W497 E499 S506 M549 Y553 D562 L563 M567	A489-F508 HydrophobicContact CB-CE1 3.87Å; A489-F508 HydrophobicContact CB-CZ 4.14Å; F491-F508 HydrophobicContact CB-CD1 4.32Å; F491-F508 HydrophobicContact CB-CE1 3.63Å; F491-F508 HydrophobicContact CB-CZ 3.85Å; F491-F508 HydrophobicContact CD2-CD1 4.5Å; F491-F508 HydrophobicContact CD2-CD2 4.3Å; F491-F508 HydrophobicContact CD2-CE1 4.21Å; F491-F508 AromaticContact CD2-CE2 3.96Å; F491-F508 HydrophobicContact CD2-CE2 3.96Å; F491-F508 AromaticContact CD2-CZ 3.92Å; F491-F508 HydrophobicContact CD2-CZ 3.92Å; F491-F508 HydrophobicContact CG-CE1 4.42Å; F491-F508 HydrophobicContact CG-CZ 4.41Å; W497-F508 HydrophobicContact CB-CD1 3.77Å; W497-F508 HydrophobicContact CB-CE1 3.77Å; W497-F508 AromaticContact CD1-CD1 3.7Å; W497-F508 AromaticContact CD2-CD1 3.86Å; W497-F508 HydrophobicContact CD2-CD1 3.86Å; W497-F508 AromaticContact CG-CD1 3.5Å; W497-F508 HydrophobicContact CG-CD1 3.5Å; W497-F508 VanDerWaalsContact CG-CD1 3.5Å; W497-F508 HydrophobicContact CG-CE1 4.04Å; E499-F508 PolarHBondContact OE1-N 2.96Å; E499-F508 PolarHBondContact OE2-N 3.42Å; S506-F508 VanDerWaalsContact CB-CZ 3.48Å; F508-M549 HydrophobicContact CD1-CE 4.05Å; F508-Y553 PolarHBondContact O-OH 2.85Å; F508-D562 WeakPolarHBondContact O-CA 3.37Å; F508-L563 HydrophobicContact CB-CB 4.03Å; F508-L563 HydrophobicContact CB-CD1 3.95Å; F508-L563 HydrophobicContact CB-CG 3.93Å; F508-L563 HydrophobicContact CD2-CB 4.38Å; F508-L563 HydrophobicContact CG-CD1 4.31Å; F508-L563 PolarHBondContact O-N 3.09Å; F508-M567 HydrophobicContact CD2-CG 3.99Å; F508-M567 HydrophobicContact CD2-SD 4.09Å; F508-M567 HydrophobicContact CE2-CE 3.96Å; F508-M567 HydrophobicContact CE2-CG 4.07Å; F508-M567 HydrophobicContact CE2-SD 3.65Å
509	V	98.9	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	B	Isolated β-bridge	trans	-75.5	126.2	173.6	-177.9	0	0	0	0	110.7	E500 Y501 N511 F513 Y561 D562	E500-V509 HydrophobicContact CB-CB 3.92Å; E500-V509 HydrophobicContact CB-CG1 4.33Å; E500-V509 HydrophobicContact CB-CG2 4.32Å; E500-V509 WeakPolarHBondContact OE2-CG1 3.36Å; Y501-V509 HydrophobicContact CD2-CG2 3.76Å; Y501-V509 HydrophobicContact CE2-CG2 4.1Å; V509-N511 WeakPolarHBondContact CG1-ND2 3.44Å; V509-F513 WeakPolarHBondContact O-CB 3.18Å; V509-F513 PolarHBondContact O-N 3.48Å; V509-Y561 HydrophobicContact CB-CE1 4.33Å; V509-Y561 HydrophobicContact CG1-CD1 4.02Å; V509-Y561 HydrophobicContact CG1-CE1 3.43Å; V509-Y561 VanDerWaalsContact CG1-CE1 3.43Å; V509-Y561 HydrophobicContact CG1-CE2 4.04Å; V509-Y561 VanDerWaalsContact CG1-CZ 3.45Å; V509-Y561 HydrophobicContact CG2-CD1 4.42Å; V509-Y561 HydrophobicContact CG2-CE1 3.89Å; V509-D562 HydrophobicContact CB-CB 4.47Å; V509-D562 HydrophobicContact CG2-CB 3.93Å
510	L	98.9	Very high	98.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-69	-51.9	-172.1	-177.7	60	0	0	0	113.7	W497 G512 F513 M514 L546 L550 Y553 Y561 H583 W606	W497-L510 HydrophobicContact CH2-CD1 4.03Å; L510-G512 PolarHBondContact O-N 2.78Å; L510-F513 PolarHBondContact O-N 3.19Å; L510-M514 HydrophobicContact CD1-CE 4.05Å; L510-M514 HydrophobicContact CD1-CG 4.43Å; L510-M514 HydrophobicContact CD2-CE 4.09Å; L510-M514 HydrophobicContact CG-CE 3.68Å; L510-M514 PolarHBondContact O-N 2.87Å; L510-M514 VanDerWaalsContact O-N 3.08Å; L510-L546 HydrophobicContact CD1-CD1 3.85Å; L510-L550 HydrophobicContact CD1-CD1 4.34Å; L510-Y553 HydrophobicContact CB-CD1 3.79Å; L510-Y553 HydrophobicContact CB-CE1 3.62Å; L510-Y553 HydrophobicContact CB-CG 4.31Å; L510-Y553 HydrophobicContact CD1-CD2 4.13Å; L510-Y553 HydrophobicContact CD1-CE2 4.03Å; L510-Y553 HydrophobicContact CD1-CG 4.44Å; L510-Y553 HydrophobicContact CD2-CD1 4.01Å; L510-Y553 HydrophobicContact CD2-CD2 4.23Å; L510-Y553 HydrophobicContact CD2-CG 3.79Å; L510-Y553 HydrophobicContact CG-CD1 4.35Å; L510-Y553 HydrophobicContact CG-CE1 4.46Å; L510-Y553 HydrophobicContact CG-CG 4.39Å; L510-Y561 PolarHBondContact N-O 3.05Å; L510-Y561 VanDerWaalsContact N-O 3.14Å; L510-H583 HydrophobicContact CD2-CB 4.48Å; L510-W606 HydrophobicContact CD2-CH2 4.06Å
511	N	98.8	Very high	98.8	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-63.4	-43.8	-173.2	82.9	97.1	0	0	0	112.3	E500 V509 F513 M514 Y515 Y561 T582 Q586	E500-N511 PolarHBondContact OE2-ND2 3.4Å; V509-N511 WeakPolarHBondContact CG1-ND2 3.44Å; N511-F513 VanDerWaalsContact C-N 3.33Å; N511-F513 PolarHBondContact O-N 3Å; N511-M514 PolarHBondContact O-N 3.5Å; N511-Y515 VanDerWaalsContact O-CD2 3.22Å; N511-Y515 WeakPolarHBondContact O-CD2 3.49Å; N511-Y515 PolarHBondContact O-N 3.13Å; N511-Y561 WeakPolarHBondContact ND2-CE2 3.31Å; N511-Y561 PolarHBondContact ND2-OH 3.39Å; N511-T582 HydrophobicContact CB-CG2 4.39Å; N511-Q586 PolarHBondContact O-NE2 2.87Å
512	G	98.8	Very high	98.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.9	-36.2	179.1	0	0	0	0	0	112.7	E500 L510 Y515 S516	E500-G512 WeakPolarHBondContact OE2-CA 3.46Å; E500-G512 PolarHBondContact OE2-N 3.48Å; L510-G512 PolarHBondContact O-N 2.78Å; G512-Y515 PolarHBondContact O-N 3.19Å; G512-S516 PolarHBondContact O-N 3.13Å
513	F	98.9	Very high	98.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.5	-49.2	172.9	179.7	-121.6	0	0	0	111.8	W497 Y498 V509 L510 N511 Y515 S516 L517 G542 L546	W497-F513 HydrophobicContact CD2-CB 4.31Å; W497-F513 AromaticContact CD2-CD1 3.84Å; W497-F513 HydrophobicContact CD2-CD1 3.84Å; W497-F513 AromaticContact CD2-CD2 3.87Å; W497-F513 HydrophobicContact CD2-CD2 3.87Å; W497-F513 AromaticContact CD2-CE1 3.99Å; W497-F513 HydrophobicContact CD2-CE1 3.99Å; W497-F513 HydrophobicContact CD2-CE2 4.04Å; W497-F513 AromaticContact CD2-CG 3.75Å; W497-F513 HydrophobicContact CD2-CG 3.75Å; W497-F513 HydrophobicContact CD2-CZ 4.08Å; W497-F513 VanDerWaalsContact CE2-CB 3.48Å; W497-F513 AromaticContact CE2-CD1 3.67Å; W497-F513 AromaticContact CE2-CD2 3.9Å; W497-F513 AromaticContact CE2-CG 3.41Å; W497-F513 VanDerWaalsContact CE2-CG 3.41Å; W497-F513 AromaticContact CE3-CD1 3.69Å; W497-F513 HydrophobicContact CE3-CD1 3.69Å; W497-F513 HydrophobicContact CE3-CD2 4.35Å; W497-F513 AromaticContact CE3-CE1 3.49Å; W497-F513 HydrophobicContact CE3-CE1 3.49Å; W497-F513 VanDerWaalsContact CE3-CE1 3.49Å; W497-F513 HydrophobicContact CE3-CE2 4.21Å; W497-F513 HydrophobicContact CE3-CG 4.1Å; W497-F513 AromaticContact CE3-CZ 3.77Å; W497-F513 HydrophobicContact CE3-CZ 3.77Å; W497-F513 HydrophobicContact CG-CD2 4.08Å; W497-F513 HydrophobicContact CG-CE2 4.21Å; W497-F513 HydrophobicContact CG-CG 4.38Å; W497-F513 HydrophobicContact CH2-CB 4.17Å; W497-F513 AromaticContact CH2-CD1 3.27Å; W497-F513 HydrophobicContact CH2-CD1 3.27Å; W497-F513 AromaticContact CH2-CE1 3.78Å; W497-F513 HydrophobicContact CH2-CE1 3.78Å; W497-F513 AromaticContact CH2-CG 3.9Å; W497-F513 HydrophobicContact CH2-CG 3.9Å; W497-F513 HydrophobicContact CZ2-CB 3.41Å; W497-F513 VanDerWaalsContact CZ2-CB 3.41Å; W497-F513 AromaticContact CZ2-CD1 3.41Å; W497-F513 HydrophobicContact CZ2-CD1 3.41Å; W497-F513 VanDerWaalsContact CZ2-CD1 3.41Å; W497-F513 HydrophobicContact CZ2-CD2 4.43Å; W497-F513 HydrophobicContact CZ2-CE1 4.23Å; W497-F513 AromaticContact CZ2-CG 3.51Å; W497-F513 HydrophobicContact CZ2-CG 3.51Å; W497-F513 AromaticContact CZ3-CD1 3.41Å; W497-F513 HydrophobicContact CZ3-CD1 3.41Å; W497-F513 VanDerWaalsContact CZ3-CD1 3.41Å; W497-F513 AromaticContact CZ3-CE1 3.37Å; W497-F513 HydrophobicContact CZ3-CE1 3.37Å; W497-F513 HydrophobicContact CZ3-CG 4.17Å; W497-F513 HydrophobicContact CZ3-CZ 4.13Å; W497-F513 AromaticContact NE1-CG 3.81Å; Y498-F513 AromaticContact CD2-CD2 3.93Å; Y498-F513 HydrophobicContact CD2-CD2 3.93Å; Y498-F513 AromaticContact CD2-CE2 3.45Å; Y498-F513 HydrophobicContact CD2-CE2 3.45Å; Y498-F513 VanDerWaalsContact CD2-CE2 3.45Å; Y498-F513 HydrophobicContact CE2-CE2 4.07Å; Y498-F513 HydrophobicContact CG-CD2 4.11Å; Y498-F513 AromaticContact CG-CE2 3.83Å; Y498-F513 HydrophobicContact CG-CE2 3.83Å; Y498-F513 VanDerWaalsContact N-CD2 3.25Å; Y498-F513 VanDerWaalsContact N-CE2 3.29Å; V509-F513 WeakPolarHBondContact O-CB 3.18Å; V509-F513 PolarHBondContact O-N 3.48Å; L510-F513 PolarHBondContact O-N 3.19Å; N511-F513 VanDerWaalsContact C-N 3.33Å; N511-F513 PolarHBondContact O-N 3Å; F513-Y515 VanDerWaalsContact C-N 3.33Å; F513-Y515 PolarHBondContact O-N 3.44Å; F513-S516 WeakPolarHBondContact O-CA 3.35Å; F513-S516 VanDerWaalsContact O-CB 3.3Å; F513-S516 WeakPolarHBondContact O-CB 3.36Å; F513-S516 PolarHBondContact O-N 3.33Å; F513-S516 PolarHBondContact O-OG 2.84Å; F513-L517 HydrophobicContact CD1-CD1 4.3Å; F513-L517 HydrophobicContact CE1-CD1 3.88Å; F513-L517 HydrophobicContact CE2-CD2 4.1Å; F513-L517 HydrophobicContact CE2-CG 4.43Å; F513-L517 HydrophobicContact CZ-CD1 4.04Å; F513-L517 HydrophobicContact CZ-CD2 4.16Å; F513-L517 HydrophobicContact CZ-CG 4.36Å; F513-L517 PolarHBondContact O-N 3.34Å; F513-L517 VanDerWaalsContact O-N 3.09Å; F513-G542 WeakPolarHBondContact CZ-O 3.05Å; F513-L546 HydrophobicContact CD1-CD1 4.22Å; F513-L546 HydrophobicContact CE1-CB 3.89Å; F513-L546 HydrophobicContact CE1-CD1 4.27Å
514	M	98.9	Very high	98.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.3	-38.1	178.3	-72.1	-165.3	-79.8	0	0	112.7	L510 N511 S516 L517 I518 L546 H583 Q586 L587 L590	L510-M514 HydrophobicContact CD1-CE 4.05Å; L510-M514 HydrophobicContact CD1-CG 4.43Å; L510-M514 HydrophobicContact CD2-CE 4.09Å; L510-M514 HydrophobicContact CG-CE 3.68Å; L510-M514 PolarHBondContact O-N 2.87Å; L510-M514 VanDerWaalsContact O-N 3.08Å; N511-M514 PolarHBondContact O-N 3.5Å; M514-S516 VanDerWaalsContact C-N 3.28Å; M514-S516 PolarHBondContact O-N 3.42Å; M514-L517 PolarHBondContact O-N 3.06Å; M514-I518 WeakPolarHBondContact O-CG1 3.05Å; M514-I518 PolarHBondContact O-N 3.3Å; M514-L546 HydrophobicContact CG-CD1 3.95Å; M514-L546 HydrophobicContact CG-CD2 3.98Å; M514-L546 HydrophobicContact SD-CD1 4.26Å; M514-L546 HydrophobicContact SD-CD2 4.2Å; M514-H583 HydrophobicContact CE-CB 4.23Å; M514-Q586 HydrophobicContact CB-CB 4.12Å; M514-Q586 HydrophobicContact CB-CG 4.35Å; M514-Q586 HydrophobicContact CE-CB 3.74Å; M514-Q586 HydrophobicContact CE-CG 4.43Å; M514-Q586 HydrophobicContact SD-CB 3.71Å; M514-L587 HydrophobicContact CE-CD2 4.47Å; M514-L587 HydrophobicContact SD-CD2 3.53Å; M514-L587 VanDerWaalsContact SD-CD2 3.53Å; M514-L587 HydrophobicContact SD-CG 4.08Å; M514-L590 HydrophobicContact CG-CD1 4.27Å; M514-L590 HydrophobicContact SD-CD1 4.04Å
515	Y	98.9	Very high	98.8	Very high	5 Å²	5	11.7 Å²	11.7	2%	0.02	6%	0.06	C	C	.	.	H	α-helix	trans	-62.6	-35.5	172.3	-78.7	-54.7	0	0	0	113	F174 M175 F177 M446 Q450 N511 G512 F513 L517 I518 G519 T582 Q586	F174-Y515 HydrophobicContact CE1-CD1 4.03Å; F174-Y515 AromaticContact CE1-CE1 3.87Å; F174-Y515 HydrophobicContact CE1-CE1 3.87Å; F174-Y515 HydrophobicContact CZ-CD1 4.02Å; F174-Y515 HydrophobicContact CZ-CE1 4.3Å; M175-Y515 HydrophobicContact CE-CE1 4.45Å; M175-Y515 WeakPolarHBondContact CE-OH 3.46Å; M175-Y515 HydrophobicContact SD-CE1 4.15Å; F177-Y515 HydrophobicContact CE1-CE1 4.19Å; F177-Y515 HydrophobicContact CZ-CE1 4.09Å; M446-Y515 HydrophobicContact CE-CD2 3.6Å; M446-Y515 HydrophobicContact CE-CE2 3.74Å; M446-Y515 HydrophobicContact CG-CD2 4.12Å; M446-Y515 HydrophobicContact CG-CG 4.48Å; M446-Y515 HydrophobicContact SD-CD2 4.23Å; Q450-Y515 HydrophobicContact CG-CD1 4.49Å; Q450-Y515 HydrophobicContact CG-CG 4.42Å; N511-Y515 VanDerWaalsContact O-CD2 3.22Å; N511-Y515 WeakPolarHBondContact O-CD2 3.49Å; N511-Y515 PolarHBondContact O-N 3.13Å; G512-Y515 PolarHBondContact O-N 3.19Å; F513-Y515 VanDerWaalsContact C-N 3.33Å; F513-Y515 PolarHBondContact O-N 3.44Å; Y515-L517 VanDerWaalsContact C-N 3.33Å; Y515-I518 HydrophobicContact CD1-CD1 4.3Å; Y515-I518 PolarHBondContact O-N 2.9Å; Y515-G519 PolarHBondContact O-N 2.72Å; Y515-G519 VanDerWaalsContact O-N 3.13Å; Y515-T582 HydrophobicContact CE2-CG2 4.23Å; Y515-Q586 HydrophobicContact CE1-CG 4.43Å; Y515-Q586 VanDerWaalsContact CG-NE2 3.34Å
516	S	98.9	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.2	-40.6	175.2	87.6	0	0	0	0	111.9	A445 Y478 Y498 G512 F513 M514 G519 L520	A445-S516 VanDerWaalsContact O-CB 3.31Å; A445-S516 WeakPolarHBondContact O-CB 3.43Å; Y478-S516 WeakPolarHBondContact OH-CB 3.25Å; Y498-S516 WeakPolarHBondContact CD2-OG 3.3Å; G512-S516 PolarHBondContact O-N 3.13Å; F513-S516 WeakPolarHBondContact O-CA 3.35Å; F513-S516 VanDerWaalsContact O-CB 3.3Å; F513-S516 WeakPolarHBondContact O-CB 3.36Å; F513-S516 PolarHBondContact O-N 3.33Å; F513-S516 PolarHBondContact O-OG 2.84Å; M514-S516 VanDerWaalsContact C-N 3.28Å; M514-S516 PolarHBondContact O-N 3.42Å; S516-G519 PolarHBondContact O-N 2.95Å; S516-L520 WeakPolarHBondContact O-CG 3.08Å; S516-L520 PolarHBondContact O-N 3.05Å
517	L	98.9	Very high	98.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66.8	-40	176.6	-58.2	-177.5	0	0	0	112.2	Y498 F513 M514 Y515 G519 L520 Y521 Y539 M543 L546	Y498-L517 HydrophobicContact CD2-CD2 3.83Å; Y498-L517 HydrophobicContact CE2-CD2 3.67Å; F513-L517 HydrophobicContact CD1-CD1 4.3Å; F513-L517 HydrophobicContact CE1-CD1 3.88Å; F513-L517 HydrophobicContact CE2-CD2 4.1Å; F513-L517 HydrophobicContact CE2-CG 4.43Å; F513-L517 HydrophobicContact CZ-CD1 4.04Å; F513-L517 HydrophobicContact CZ-CD2 4.16Å; F513-L517 HydrophobicContact CZ-CG 4.36Å; F513-L517 PolarHBondContact O-N 3.34Å; F513-L517 VanDerWaalsContact O-N 3.09Å; M514-L517 PolarHBondContact O-N 3.06Å; Y515-L517 VanDerWaalsContact C-N 3.33Å; L517-G519 VanDerWaalsContact C-N 3.3Å; L517-G519 PolarHBondContact O-N 3.19Å; L517-L520 HydrophobicContact CD2-CD1 4.37Å; L517-L520 PolarHBondContact O-N 3.24Å; L517-Y521 WeakPolarHBondContact O-CB 3.23Å; L517-Y521 PolarHBondContact O-N 3.23Å; L517-Y539 HydrophobicContact CB-CD2 4.34Å; L517-Y539 HydrophobicContact CB-CE2 4.41Å; L517-Y539 WeakPolarHBondContact O-CD2 3.39Å; L517-M543 HydrophobicContact CD1-CG 4.42Å; L517-M543 HydrophobicContact CD1-SD 3.86Å; L517-L546 HydrophobicContact CD1-CB 4.24Å; L517-L546 HydrophobicContact CD1-CD2 4.02Å
518	I	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-40.4	176.3	-63.6	163.4	0	0	0	110.6	Y168 F174 M514 Y515 Y521 D522 L589 L590	Y168-I518 HydrophobicContact CE1-CG2 4.06Å; F174-I518 HydrophobicContact CE2-CG2 3.62Å; F174-I518 HydrophobicContact CZ-CG2 4.07Å; M514-I518 WeakPolarHBondContact O-CG1 3.05Å; M514-I518 PolarHBondContact O-N 3.3Å; Y515-I518 HydrophobicContact CD1-CD1 4.3Å; Y515-I518 PolarHBondContact O-N 2.9Å; I518-Y521 WeakPolarHBondContact O-CB 3.36Å; I518-Y521 PolarHBondContact O-N 2.55Å; I518-D522 PolarHBondContact O-N 3.32Å; I518-L589 HydrophobicContact CD1-CD1 4.13Å; I518-L589 HydrophobicContact CD1-CD2 4.05Å; I518-L589 HydrophobicContact CG1-CD2 3.9Å; I518-L590 HydrophobicContact CG1-CD2 4.14Å
519	G	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-46.4	173.2	0	0	0	0	0	113	G449 I452 S453 Y515 S516 L517 Y521 D522 L523	G449-G519 WeakPolarHBondContact O-CA 3.11Å; I452-G519 WeakPolarHBondContact CG2-O 3.19Å; S453-G519 WeakPolarHBondContact OG-CA 3.31Å; Y515-G519 PolarHBondContact O-N 2.72Å; Y515-G519 VanDerWaalsContact O-N 3.13Å; S516-G519 PolarHBondContact O-N 2.95Å; L517-G519 VanDerWaalsContact C-N 3.3Å; L517-G519 PolarHBondContact O-N 3.19Å; G519-Y521 VanDerWaalsContact C-N 3.28Å; G519-Y521 PolarHBondContact O-N 2.94Å; G519-D522 PolarHBondContact O-N 3.38Å; G519-L523 PolarHBondContact O-N 3.2Å
520	L	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-35.7	176.1	-66.8	169.5	0	0	0	112.3	T475 Y478 Y498 S516 L517 K524 A535 L538 Y539	T475-L520 HydrophobicContact CG2-CD2 4Å; Y478-L520 HydrophobicContact CD1-CD1 4.1Å; Y478-L520 HydrophobicContact CE1-CD1 3.89Å; Y478-L520 HydrophobicContact CE1-CG 4.27Å; Y478-L520 HydrophobicContact CE2-CD2 4.46Å; Y498-L520 HydrophobicContact CD2-CD1 4.21Å; Y498-L520 HydrophobicContact CE2-CD1 3.78Å; S516-L520 WeakPolarHBondContact O-CG 3.08Å; S516-L520 PolarHBondContact O-N 3.05Å; L517-L520 HydrophobicContact CD2-CD1 4.37Å; L517-L520 PolarHBondContact O-N 3.24Å; L520-K524 WeakPolarHBondContact O-CB 3.49Å; L520-K524 PolarHBondContact O-N 3.25Å; L520-A535 HydrophobicContact CD2-CB 4.39Å; L520-L538 HydrophobicContact CD1-CB 3.71Å; L520-L538 HydrophobicContact CD2-CB 4.09Å; L520-L538 HydrophobicContact CD2-CD1 4.02Å; L520-Y539 HydrophobicContact CB-CD2 4.46Å
521	Y	98.9	Very high	98.5	Very high	26 Å²	26	34.4 Å²	34.4	10%	0.102	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-51.5	172.6	178	-92.8	0	0	0	111.4	Y168 P170 L517 I518 G519 L523 K524 E525 Y539 I593	Y168-Y521 HydrophobicContact CD1-CD1 4.09Å; Y168-Y521 AromaticContact CD1-CE1 3.88Å; Y168-Y521 HydrophobicContact CD1-CE1 3.88Å; Y168-Y521 AromaticContact CE1-CD1 3.82Å; Y168-Y521 HydrophobicContact CE1-CD1 3.82Å; Y168-Y521 AromaticContact CE1-CE1 3.97Å; Y168-Y521 HydrophobicContact CE1-CE1 3.97Å; P170-Y521 HydrophobicContact CG-CE1 4.41Å; L517-Y521 WeakPolarHBondContact O-CB 3.23Å; L517-Y521 PolarHBondContact O-N 3.23Å; I518-Y521 WeakPolarHBondContact O-CB 3.36Å; I518-Y521 PolarHBondContact O-N 2.55Å; G519-Y521 VanDerWaalsContact C-N 3.28Å; G519-Y521 PolarHBondContact O-N 2.94Å; Y521-L523 PolarHBondContact O-N 2.98Å; Y521-K524 WeakPolarHBondContact O-CG 3.42Å; Y521-K524 PolarHBondContact O-N 3.26Å; Y521-E525 HydrophobicContact CD1-CG 4.22Å; Y521-E525 HydrophobicContact CD2-CG 4.18Å; Y521-E525 HydrophobicContact CE1-CG 3.86Å; Y521-E525 HydrophobicContact CE2-CG 3.8Å; Y521-E525 HydrophobicContact CG-CG 4.38Å; Y521-E525 WeakPolarHBondContact O-CG 3.3Å; Y521-E525 PolarHBondContact O-N 3.2Å; Y521-Y539 HydrophobicContact CD2-CE1 4.35Å; Y521-Y539 HydrophobicContact CD2-CE2 4.11Å; Y521-Y539 AromaticContact CD2-CZ 3.86Å; Y521-Y539 HydrophobicContact CG-CE2 4.37Å; Y521-I593 HydrophobicContact CD1-CD1 3.95Å; Y521-I593 HydrophobicContact CD2-CD1 3.68Å; Y521-I593 HydrophobicContact CE1-CD1 4.04Å; Y521-I593 HydrophobicContact CE1-CG2 4.04Å; Y521-I593 HydrophobicContact CE2-CB 3.81Å; Y521-I593 HydrophobicContact CE2-CD1 3.79Å; Y521-I593 HydrophobicContact CE2-CG1 4.27Å; Y521-I593 HydrophobicContact CE2-CG2 4.2Å; Y521-I593 HydrophobicContact CG-CD1 3.76Å; Y521-I593 WeakPolarHBondContact OH-CG2 3.33Å
522	D	98.9	Very high	98.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-53.3	-43.5	178.2	-73.1	-6.5	0	0	0	111.4	Y168 P170 S453 V456 R457 I518 G519 T526	Y168-D522 WeakPolarHBondContact CE1-OD1 3.24Å; Y168-D522 VanDerWaalsContact CZ-OD1 3.26Å; Y168-D522 PolarHBondContact OH-OD1 2.93Å; Y168-D522 PolarHBondContact OH-OD2 2.77Å; P170-D522 HydrophobicContact CB-CB 4.18Å; S453-D522 WeakPolarHBondContact CA-OD2 3.19Å; S453-D522 WeakPolarHBondContact CB-OD2 3.48Å; S453-D522 PolarHBondContact OG-OD2 3.37Å; V456-D522 HydrophobicContact CB-CB 4.27Å; V456-D522 HydrophobicContact CG1-CB 4.09Å; V456-D522 HydrophobicContact CG2-CB 4.23Å; R457-D522 IonicContact CZ-OD2 3.14Å; R457-D522 IonicContact NH1-OD2 2.7Å; R457-D522 PolarHBondContact NH1-OD2 3.07Å; I518-D522 PolarHBondContact O-N 3.32Å; G519-D522 PolarHBondContact O-N 3.38Å; D522-T526 VanDerWaalsContact O-CB 3.29Å; D522-T526 WeakPolarHBondContact O-CB 3.4Å; D522-T526 PolarHBondContact O-N 3.04Å; D522-T526 PolarHBondContact O-OG1 3.49Å
523	L	98.9	Very high	98.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.4	-44.9	-179.4	-175.9	58.2	0	0	0	113.2	I452 V456 L468 A471 L472 T475 G519 Y521 E525 T526 A527 A535	I452-L523 HydrophobicContact CG2-CB 3.63Å; I452-L523 HydrophobicContact CG2-CD2 4.17Å; I452-L523 HydrophobicContact CG2-CG 4.4Å; V456-L523 HydrophobicContact CG2-CB 4.31Å; V456-L523 HydrophobicContact CG2-CD1 4.21Å; L468-L523 HydrophobicContact CD1-CD1 3.99Å; A471-L523 HydrophobicContact CB-CD1 3.87Å; A471-L523 WeakPolarHBondContact O-CD2 3.11Å; L472-L523 HydrophobicContact CD2-CD1 4.05Å; L472-L523 HydrophobicContact CD2-CD2 4.39Å; L472-L523 HydrophobicContact CD2-CG 4.4Å; L472-L523 HydrophobicContact CG-CD1 4.27Å; T475-L523 HydrophobicContact CG2-CD2 3.51Å; G519-L523 PolarHBondContact O-N 3.2Å; Y521-L523 PolarHBondContact O-N 2.98Å; L523-E525 VanDerWaalsContact C-N 3.28Å; L523-E525 PolarHBondContact O-N 3.33Å; L523-T526 PolarHBondContact O-N 3.45Å; L523-A527 HydrophobicContact CD1-CB 4.14Å; L523-A527 VanDerWaalsContact O-CB 3.25Å; L523-A527 WeakPolarHBondContact O-CB 3.22Å; L523-A527 PolarHBondContact O-N 3.37Å; L523-A535 HydrophobicContact CB-CB 4.14Å; L523-A535 HydrophobicContact CD2-CB 3.85Å; L523-A535 HydrophobicContact CG-CB 3.91Å
524	K	98.8	Very high	98.5	Very high	40 Å²	40	45 Å²	45	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-35.5	-178.6	83.6	-179.3	178.6	76	0	111.7	L520 Y521 T526 A535 R536 Y539	L520-K524 WeakPolarHBondContact O-CB 3.49Å; L520-K524 PolarHBondContact O-N 3.25Å; Y521-K524 WeakPolarHBondContact O-CG 3.42Å; Y521-K524 PolarHBondContact O-N 3.26Å; K524-T526 VanDerWaalsContact C-N 3.3Å; K524-A535 HydrophobicContact CB-CB 4.11Å; K524-R536 HydrophobicContact CB-CB 4.13Å; K524-R536 HydrophobicContact CD-CB 4.3Å; K524-R536 HydrophobicContact CD-CG 4.42Å; K524-Y539 HydrophobicContact CD-CD1 3.84Å; K524-Y539 HydrophobicContact CD-CG 4.01Å
525	E	98.8	Very high	98.5	Very high	102 Å²	102	45 Å²	45	48%	0.477	22%	0.221	S	C	.	.	H	α-helix	trans	-73.2	-24.2	177.9	-66.8	-56.4	108.8	0	0	112.3	P170 Y521 L523	P170-E525 HydrophobicContact CG-CB 4.02Å; Y521-E525 HydrophobicContact CD1-CG 4.22Å; Y521-E525 HydrophobicContact CD2-CG 4.18Å; Y521-E525 HydrophobicContact CE1-CG 3.86Å; Y521-E525 HydrophobicContact CE2-CG 3.8Å; Y521-E525 HydrophobicContact CG-CG 4.38Å; Y521-E525 WeakPolarHBondContact O-CG 3.3Å; Y521-E525 PolarHBondContact O-N 3.2Å; L523-E525 VanDerWaalsContact C-N 3.28Å; L523-E525 PolarHBondContact O-N 3.33Å
526	T	98.8	Very high	98.5	Very high	26 Å²	26	51 Å²	51	16%	0.16	24%	0.244	C	C	.	.	H	α-helix	trans	-98.5	-36.2	-174.6	-56.8	0	0	0	0	113.5	V456 Y459 L460 D522 L523 K524 G528	V456-T526 HydrophobicContact CG1-CG2 4.1Å; V456-T526 WeakPolarHBondContact CG1-OG1 3.25Å; Y459-T526 HydrophobicContact CD1-CG2 3.58Å; Y459-T526 HydrophobicContact CE1-CG2 3.73Å; L460-T526 HydrophobicContact CD1-CG2 4.37Å; L460-T526 HydrophobicContact CD2-CG2 3.79Å; L460-T526 HydrophobicContact CG-CG2 4.01Å; D522-T526 VanDerWaalsContact O-CB 3.29Å; D522-T526 WeakPolarHBondContact O-CB 3.4Å; D522-T526 PolarHBondContact O-N 3.04Å; D522-T526 PolarHBondContact O-OG1 3.49Å; L523-T526 PolarHBondContact O-N 3.45Å; K524-T526 VanDerWaalsContact C-N 3.3Å; T526-G528 VanDerWaalsContact C-N 3.27Å; T526-G528 PolarHBondContact O-N 3.2Å
527	A	98.2	Very high	98.5	Very high	12 Å²	12	53.9 Å²	53.9	10%	0.099	26%	0.264	C	S	.	.	S	Bend	trans	-79.3	-4.9	-171.4	0	0	0	0	0	114.3	L468 L472 L523 L531	L468-A527 HydrophobicContact CD1-CB 4.17Å; L472-A527 HydrophobicContact CD2-CB 4.04Å; L523-A527 HydrophobicContact CD1-CB 4.14Å; L523-A527 VanDerWaalsContact O-CB 3.25Å; L523-A527 WeakPolarHBondContact O-CB 3.22Å; L523-A527 PolarHBondContact O-N 3.37Å; A527-L531 HydrophobicContact CB-CB 4.11Å; A527-L531 WeakPolarHBondContact O-CB 3.17Å
528	G	96.8	Very high	98.5	Very high	40 Å²	40	54.6 Å²	54.6	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	69	175.7	-174.2	0	0	0	0	0	113.3	T526 K530 G532	T526-G528 VanDerWaalsContact C-N 3.27Å; T526-G528 PolarHBondContact O-N 3.2Å; G528-K530 PolarHBondContact O-N 3.06Å; G528-G532 VanDerWaalsContact O-CA 3.31Å; G528-G532 WeakPolarHBondContact O-CA 3.19Å; G528-G532 PolarHBondContact O-N 3.24Å
529	E	95.6	Very high	98.5	Very high	180 Å²	180	55.2 Å²	55.2	84%	0.841	27%	0.27	S	S	*	.	H	α-helix	trans	-61.2	-40.5	-168.1	-64.1	-171.7	162.7	0	0	114.3
530	K	98	Very high	98.5	Very high	190 Å²	190	59.7 Å²	59.7	83%	0.826	29%	0.291	S	S	*	.	H	α-helix	trans	-77	-52.2	-173.7	-173.8	178.6	177.7	-178.7	0	112.3	G528	G528-K530 PolarHBondContact O-N 3.06Å
531	L	98.3	Very high	98.5	Very high	97 Å²	97	64.9 Å²	64.9	51%	0.508	31%	0.311	S	S	.	.	H	α-helix	trans	-77.7	-33.5	-177.9	-60	174.1	0	0	0	111.3	L472 A527 K533	L472-L531 HydrophobicContact CD1-CB 4.12Å; L472-L531 HydrophobicContact CD1-CD1 4.27Å; L472-L531 HydrophobicContact CD2-CB 4.17Å; L472-L531 WeakPolarHBondContact CD2-O 3.5Å; A527-L531 HydrophobicContact CB-CB 4.11Å; A527-L531 WeakPolarHBondContact O-CB 3.17Å; L531-K533 VanDerWaalsContact C-N 3.27Å; L531-K533 PolarHBondContact O-N 3.4Å
532	G	98.3	Very high	98.5	Very high	3 Å²	3	63.6 Å²	63.6	3%	0.031	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.5	179.2	0	0	0	0	0	115.3	G528 E534 A535 R536	G528-G532 VanDerWaalsContact O-CA 3.31Å; G528-G532 WeakPolarHBondContact O-CA 3.19Å; G528-G532 PolarHBondContact O-N 3.24Å; G532-E534 VanDerWaalsContact C-N 3.33Å; G532-E534 PolarHBondContact O-N 2.88Å; G532-A535 PolarHBondContact O-N 3.17Å; G532-R536 WeakPolarHBondContact O-CB 3.35Å; G532-R536 PolarHBondContact O-N 3.27Å
533	K	98.7	Very high	98.5	Very high	156 Å²	156	63.8 Å²	63.8	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-56.2	-42.2	-175	-176	176.1	178.6	178	0	113.5	L531 S537	L531-K533 VanDerWaalsContact C-N 3.27Å; L531-K533 PolarHBondContact O-N 3.4Å; K533-S537 PolarHBondContact O-N 3.37Å; K533-S537 VanDerWaalsContact O-N 3.08Å
534	E	98.7	Very high	98.5	Very high	67 Å²	67	69.6 Å²	69.6	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-48.3	178.7	-178.9	167.5	118.4	0	0	111.3	T475 K479 G532 R536 S537 L538	T475-E534 WeakPolarHBondContact CB-OE1 3.22Å; T475-E534 PolarHBondContact OG1-OE1 3.29Å; K479-E534 WeakPolarHBondContact CD-OE2 3.46Å; K479-E534 VanDerWaalsContact CE-OE1 3.31Å; K479-E534 WeakPolarHBondContact CE-OE1 3.19Å; K479-E534 IonicContact NZ-OE1 2.82Å; K479-E534 PolarHBondContact NZ-OE1 3.18Å; K479-E534 IonicContact NZ-OE2 3.24Å; K479-E534 PolarHBondContact NZ-OE2 3.32Å; G532-E534 VanDerWaalsContact C-N 3.33Å; G532-E534 PolarHBondContact O-N 2.88Å; E534-R536 VanDerWaalsContact C-N 3.28Å; E534-R536 PolarHBondContact O-N 3.27Å; E534-S537 PolarHBondContact O-N 2.86Å; E534-L538 HydrophobicContact CG-CD1 4.06Å; E534-L538 WeakPolarHBondContact O-CG 3.36Å; E534-L538 PolarHBondContact O-N 3.18Å
535	A	98.9	Very high	98.5	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-59.1	-40.4	177.1	0	0	0	0	0	111.9	T475 L520 L523 K524 G532 L538 Y539	T475-A535 HydrophobicContact CG2-CB 4.24Å; L520-A535 HydrophobicContact CD2-CB 4.39Å; L523-A535 HydrophobicContact CB-CB 4.14Å; L523-A535 HydrophobicContact CD2-CB 3.85Å; L523-A535 HydrophobicContact CG-CB 3.91Å; K524-A535 HydrophobicContact CB-CB 4.11Å; G532-A535 PolarHBondContact O-N 3.17Å; A535-L538 PolarHBondContact O-N 3.03Å; A535-Y539 VanDerWaalsContact O-CB 3.29Å; A535-Y539 WeakPolarHBondContact O-CB 3.46Å; A535-Y539 PolarHBondContact O-N 2.83Å
536	R	98.9	Very high	98.5	Very high	132 Å²	132	63 Å²	63	50%	0.498	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-50.4	175.1	-179.4	175.1	179.4	168.1	1.7	112.2	K524 G532 E534 L538 Y539 E540	K524-R536 HydrophobicContact CB-CB 4.13Å; K524-R536 HydrophobicContact CD-CB 4.3Å; K524-R536 HydrophobicContact CD-CG 4.42Å; G532-R536 WeakPolarHBondContact O-CB 3.35Å; G532-R536 PolarHBondContact O-N 3.27Å; E534-R536 VanDerWaalsContact C-N 3.28Å; E534-R536 PolarHBondContact O-N 3.27Å; R536-L538 PolarHBondContact O-N 3.5Å; R536-Y539 PolarHBondContact O-N 3.18Å; R536-E540 HydrophobicContact CG-CG 4.39Å; R536-E540 VanDerWaalsContact CG-OE1 3.3Å; R536-E540 WeakPolarHBondContact CG-OE1 3.31Å; R536-E540 IonicContact CZ-OE1 2.8Å; R536-E540 IonicContact NE-OE1 2.9Å; R536-E540 PolarHBondContact NE-OE1 2.88Å; R536-E540 IonicContact NH2-OE1 2.71Å; R536-E540 WeakPolarHBondContact O-CB 3.3Å; R536-E540 WeakPolarHBondContact O-CG 3.49Å; R536-E540 PolarHBondContact O-N 2.68Å
537	S	98.9	Very high	98.5	Very high	60 Å²	60	64.6 Å²	64.6	42%	0.42	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-44.2	179.5	178.6	0	0	0	0	112.1	K533 E534 R541	K533-S537 PolarHBondContact O-N 3.37Å; K533-S537 VanDerWaalsContact O-N 3.08Å; E534-S537 PolarHBondContact O-N 2.86Å; S537-R541 VanDerWaalsContact O-CG 3.31Å; S537-R541 WeakPolarHBondContact O-CG 3.15Å; S537-R541 PolarHBondContact O-N 2.99Å; S537-R541 VanDerWaalsContact O-N 3.16Å
538	L	98.9	Very high	98.5	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-46.7	175.7	-67.2	169.1	0	0	0	111.2	Y478 Y498 L520 E534 A535 R536 E540 R541 G542	Y478-L538 HydrophobicContact CG-CD1 4.24Å; Y498-L538 HydrophobicContact CE1-CD2 4.29Å; Y498-L538 WeakPolarHBondContact OH-CA 3.38Å; Y498-L538 PolarHBondContact OH-O 3.46Å; L520-L538 HydrophobicContact CD1-CB 3.71Å; L520-L538 HydrophobicContact CD2-CB 4.09Å; L520-L538 HydrophobicContact CD2-CD1 4.02Å; E534-L538 HydrophobicContact CG-CD1 4.06Å; E534-L538 WeakPolarHBondContact O-CG 3.36Å; E534-L538 PolarHBondContact O-N 3.18Å; A535-L538 PolarHBondContact O-N 3.03Å; R536-L538 PolarHBondContact O-N 3.5Å; L538-E540 PolarHBondContact O-N 2.96Å; L538-R541 PolarHBondContact O-N 2.9Å; L538-G542 PolarHBondContact O-N 3.39Å
539	Y	98.9	Very high	98.6	Very high	13 Å²	13	64.6 Å²	64.6	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-49.1	178	175.9	-98.1	0	0	0	112.2	L517 L520 Y521 K524 A535 R536 R541 G542 M543	L517-Y539 HydrophobicContact CB-CD2 4.34Å; L517-Y539 HydrophobicContact CB-CE2 4.41Å; L517-Y539 WeakPolarHBondContact O-CD2 3.39Å; L520-Y539 HydrophobicContact CB-CD2 4.46Å; Y521-Y539 HydrophobicContact CD2-CE1 4.35Å; Y521-Y539 HydrophobicContact CD2-CE2 4.11Å; Y521-Y539 AromaticContact CD2-CZ 3.86Å; Y521-Y539 HydrophobicContact CG-CE2 4.37Å; K524-Y539 HydrophobicContact CD-CD1 3.84Å; K524-Y539 HydrophobicContact CD-CG 4.01Å; A535-Y539 VanDerWaalsContact O-CB 3.29Å; A535-Y539 WeakPolarHBondContact O-CB 3.46Å; A535-Y539 PolarHBondContact O-N 2.83Å; R536-Y539 PolarHBondContact O-N 3.18Å; Y539-R541 PolarHBondContact O-N 2.87Å; Y539-G542 PolarHBondContact O-N 3.14Å; Y539-M543 HydrophobicContact CD1-CG 4.12Å; Y539-M543 HydrophobicContact CD2-CG 4.06Å; Y539-M543 HydrophobicContact CE1-CG 3.7Å; Y539-M543 HydrophobicContact CE2-CG 3.61Å; Y539-M543 HydrophobicContact CE2-SD 3.99Å; Y539-M543 HydrophobicContact CG-CG 4.31Å; Y539-M543 VanDerWaalsContact CZ-CG 3.43Å; Y539-M543 WeakPolarHBondContact O-CB 3.46Å; Y539-M543 VanDerWaalsContact O-CG 3.32Å; Y539-M543 WeakPolarHBondContact O-CG 3.48Å; Y539-M543 PolarHBondContact O-N 3.11Å
540	E	98.9	Very high	98.7	Very high	95 Å²	95	56 Å²	56	44%	0.444	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-46.1	-177.6	-72.4	170.3	177.1	0	0	111.4	R536 L538 G542 M543 E544	R536-E540 HydrophobicContact CG-CG 4.39Å; R536-E540 VanDerWaalsContact CG-OE1 3.3Å; R536-E540 WeakPolarHBondContact CG-OE1 3.31Å; R536-E540 IonicContact CZ-OE1 2.8Å; R536-E540 IonicContact NE-OE1 2.9Å; R536-E540 PolarHBondContact NE-OE1 2.88Å; R536-E540 IonicContact NH2-OE1 2.71Å; R536-E540 WeakPolarHBondContact O-CB 3.3Å; R536-E540 WeakPolarHBondContact O-CG 3.49Å; R536-E540 PolarHBondContact O-N 2.68Å; L538-E540 PolarHBondContact O-N 2.96Å; E540-G542 PolarHBondContact O-N 2.99Å; E540-M543 PolarHBondContact O-N 3.15Å; E540-E544 PolarHBondContact O-N 2.99Å
541	R	98.9	Very high	98.8	Very high	108 Å²	108	50.1 Å²	50.1	41%	0.408	25%	0.246	S	C	.	.	H	α-helix	trans	-64.7	-39.3	176.4	-68.3	178.4	66.5	75	3.2	112.9	D496 S537 L538 Y539 S545	D496-R541 IonicContact OD1-NH2 3.57Å; D496-R541 PolarHBondContact OD1-NH2 3.47Å; D496-R541 IonicContact OD2-CZ 3.21Å; D496-R541 IonicContact OD2-NE 2.76Å; D496-R541 PolarHBondContact OD2-NE 3.31Å; D496-R541 IonicContact OD2-NH2 2.82Å; D496-R541 PolarHBondContact OD2-NH2 2.85Å; S537-R541 VanDerWaalsContact O-CG 3.31Å; S537-R541 WeakPolarHBondContact O-CG 3.15Å; S537-R541 PolarHBondContact O-N 2.99Å; S537-R541 VanDerWaalsContact O-N 3.16Å; L538-R541 PolarHBondContact O-N 2.9Å; Y539-R541 PolarHBondContact O-N 2.87Å; R541-S545 PolarHBondContact O-N 2.78Å; R541-S545 VanDerWaalsContact O-N 3.16Å; R541-S545 PolarHBondContact O-OG 3.4Å
542	G	98.9	Very high	98.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-41.5	176.9	0	0	0	0	0	112.5	F513 L538 Y539 E540 S545 L546	F513-G542 WeakPolarHBondContact CZ-O 3.05Å; L538-G542 PolarHBondContact O-N 3.39Å; Y539-G542 PolarHBondContact O-N 3.14Å; E540-G542 PolarHBondContact O-N 2.99Å; G542-S545 PolarHBondContact O-N 3.42Å; G542-L546 PolarHBondContact O-N 2.97Å
543	M	98.9	Very high	98.8	Very high	4 Å²	4	49 Å²	49	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-39	176.3	-75.9	-63.6	-73.8	0	0	112.5	L517 Y539 E540 S545 L546 K547 L590 D594 F599	L517-M543 HydrophobicContact CD1-CG 4.42Å; L517-M543 HydrophobicContact CD1-SD 3.86Å; Y539-M543 HydrophobicContact CD1-CG 4.12Å; Y539-M543 HydrophobicContact CD2-CG 4.06Å; Y539-M543 HydrophobicContact CE1-CG 3.7Å; Y539-M543 HydrophobicContact CE2-CG 3.61Å; Y539-M543 HydrophobicContact CE2-SD 3.99Å; Y539-M543 HydrophobicContact CG-CG 4.31Å; Y539-M543 VanDerWaalsContact CZ-CG 3.43Å; Y539-M543 WeakPolarHBondContact O-CB 3.46Å; Y539-M543 VanDerWaalsContact O-CG 3.32Å; Y539-M543 WeakPolarHBondContact O-CG 3.48Å; Y539-M543 PolarHBondContact O-N 3.11Å; E540-M543 PolarHBondContact O-N 3.15Å; M543-S545 VanDerWaalsContact C-N 3.32Å; M543-S545 PolarHBondContact O-N 3.18Å; M543-L546 PolarHBondContact O-N 3.22Å; M543-L546 HydrophobicContact SD-CD2 4.27Å; M543-K547 VanDerWaalsContact O-CG 3.26Å; M543-K547 WeakPolarHBondContact O-CG 3.26Å; M543-K547 PolarHBondContact O-N 2.92Å; M543-K547 VanDerWaalsContact O-N 3.07Å; M543-L590 HydrophobicContact SD-CD1 4.4Å; M543-L590 HydrophobicContact SD-CD2 4.25Å; M543-D594 HydrophobicContact CE-CB 3.76Å; M543-D594 WeakPolarHBondContact CE-OD2 3.45Å; M543-F599 HydrophobicContact CE-CE2 3.48Å; M543-F599 VanDerWaalsContact CE-CE2 3.48Å; M543-F599 HydrophobicContact CE-CZ 3.43Å; M543-F599 VanDerWaalsContact CE-CZ 3.43Å; M543-F599 HydrophobicContact SD-CZ 4.44Å
544	E	98.9	Very high	98.8	Very high	122 Å²	122	43 Å²	43	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-58	-46.7	171.9	-173.4	-174	162.9	0	0	111.1	E540 K547 A548	E540-E544 PolarHBondContact O-N 2.99Å; E544-K547 PolarHBondContact O-N 3.31Å; E544-A548 PolarHBondContact O-N 3.4Å; E544-A548 VanDerWaalsContact O-N 3.16Å
545	S	98.9	Very high	98.8	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.028	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-41.6	179.3	-58.9	0	0	0	0	112.3	D496 R541 G542 M543 K547 A548 M549	D496-S545 PolarHBondContact N-OG 2.84Å; D496-S545 WeakPolarHBondContact O-CB 3.41Å; D496-S545 PolarHBondContact O-OG 3.08Å; R541-S545 PolarHBondContact O-N 2.78Å; R541-S545 VanDerWaalsContact O-N 3.16Å; R541-S545 PolarHBondContact O-OG 3.4Å; G542-S545 PolarHBondContact O-N 3.42Å; M543-S545 VanDerWaalsContact C-N 3.32Å; M543-S545 PolarHBondContact O-N 3.18Å; S545-K547 PolarHBondContact O-N 3.4Å; S545-A548 PolarHBondContact O-N 2.67Å; S545-M549 WeakPolarHBondContact O-CB 3.44Å; S545-M549 WeakPolarHBondContact O-CG 3.33Å; S545-M549 PolarHBondContact O-N 2.61Å
546	L	98.9	Very high	98.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.4	-49.7	175.4	-178	60.7	0	0	0	111	L510 F513 M514 L517 G542 M543 A548 M549 L550 L590 F599	L510-L546 HydrophobicContact CD1-CD1 3.85Å; F513-L546 HydrophobicContact CD1-CD1 4.22Å; F513-L546 HydrophobicContact CE1-CB 3.89Å; F513-L546 HydrophobicContact CE1-CD1 4.27Å; M514-L546 HydrophobicContact CG-CD1 3.95Å; M514-L546 HydrophobicContact CG-CD2 3.98Å; M514-L546 HydrophobicContact SD-CD1 4.26Å; M514-L546 HydrophobicContact SD-CD2 4.2Å; L517-L546 HydrophobicContact CD1-CB 4.24Å; L517-L546 HydrophobicContact CD1-CD2 4.02Å; G542-L546 PolarHBondContact O-N 2.97Å; M543-L546 PolarHBondContact O-N 3.22Å; M543-L546 HydrophobicContact SD-CD2 4.27Å; L546-A548 VanDerWaalsContact C-N 3.32Å; L546-A548 PolarHBondContact O-N 2.91Å; L546-M549 PolarHBondContact O-N 3.45Å; L546-L550 HydrophobicContact CD1-CD1 4.05Å; L546-L550 WeakPolarHBondContact O-CB 3.27Å; L546-L550 PolarHBondContact O-N 3.09Å; L546-L590 HydrophobicContact CD2-CD1 3.45Å; L546-L590 VanDerWaalsContact CD2-CD1 3.45Å; L546-F599 HydrophobicContact CD2-CE1 3.87Å; L546-F599 HydrophobicContact CD2-CZ 4.18Å; L546-F599 HydrophobicContact CG-CE1 4.23Å
547	K	98.9	Very high	98.8	Very high	58 Å²	58	39.5 Å²	39.5	25%	0.252	22%	0.218	S	C	.	.	H	α-helix	trans	-60.1	-42.7	-179.1	-68.1	169.4	-168	-177.3	0	111.5	M543 E544 S545 D594 S596 I598 F599	M543-K547 VanDerWaalsContact O-CG 3.26Å; M543-K547 WeakPolarHBondContact O-CG 3.26Å; M543-K547 PolarHBondContact O-N 2.92Å; M543-K547 VanDerWaalsContact O-N 3.07Å; E544-K547 PolarHBondContact O-N 3.31Å; S545-K547 PolarHBondContact O-N 3.4Å; K547-D594 VanDerWaalsContact CE-OD2 3.24Å; K547-D594 WeakPolarHBondContact CE-OD2 3.33Å; K547-D594 IonicContact NZ-OD1 3.63Å; K547-D594 PolarHBondContact NZ-OD1 3.28Å; K547-D594 IonicContact NZ-OD2 3.54Å; K547-D594 PolarHBondContact NZ-OD2 2.76Å; K547-S596 VanDerWaalsContact CE-OG 3.27Å; K547-S596 WeakPolarHBondContact CE-OG 3.48Å; K547-S596 PolarHBondContact NZ-OG 3.16Å; K547-I598 HydrophobicContact CB-CG2 4.46Å; K547-I598 HydrophobicContact CG-CG2 4.04Å; K547-I598 WeakPolarHBondContact O-CD1 3.45Å; K547-F599 HydrophobicContact CD-CZ 4.46Å; K547-F599 HydrophobicContact CG-CE1 4.29Å; K547-F599 HydrophobicContact CG-CE2 4.37Å; K547-F599 HydrophobicContact CG-CZ 3.77Å
548	A	98.8	Very high	98.8	Very high	51 Å²	51	37.1 Å²	37.1	42%	0.421	20%	0.203	S	C	.	.	H	α-helix	trans	-69.2	-37.7	179.5	0	0	0	0	0	113.2	H495 E544 S545 L546	H495-A548 VanDerWaalsContact CE1-CB 3.44Å; H495-A548 WeakPolarHBondContact CE1-CB 3.39Å; E544-A548 PolarHBondContact O-N 3.4Å; E544-A548 VanDerWaalsContact O-N 3.16Å; S545-A548 PolarHBondContact O-N 2.67Å; L546-A548 VanDerWaalsContact C-N 3.32Å; L546-A548 PolarHBondContact O-N 2.91Å
549	M	98.8	Very high	98.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-94.5	-13.8	-171.5	-65.4	175.5	62.9	0	0	114.1	F491 H495 W497 F508 S545 L546 P551 L552 Y553 L563	F491-M549 HydrophobicContact CB-CE 3.63Å; F491-M549 HydrophobicContact CB-SD 3.77Å; F491-M549 HydrophobicContact CD1-CE 3.85Å; F491-M549 HydrophobicContact CD1-CG 4.27Å; F491-M549 HydrophobicContact CD1-SD 3.99Å; F491-M549 HydrophobicContact CD2-CE 3.77Å; F491-M549 HydrophobicContact CE1-CE 4.46Å; F491-M549 HydrophobicContact CE2-CE 4.4Å; F491-M549 HydrophobicContact CG-CE 3.46Å; F491-M549 VanDerWaalsContact CG-CE 3.46Å; F491-M549 HydrophobicContact CG-SD 3.96Å; H495-M549 HydrophobicContact CB-SD 3.77Å; W497-M549 HydrophobicContact CD2-CE 4.4Å; W497-M549 HydrophobicContact CE3-CE 3.69Å; W497-M549 HydrophobicContact CE3-SD 3.55Å; W497-M549 VanDerWaalsContact CE3-SD 3.55Å; W497-M549 HydrophobicContact CH2-CE 4.47Å; W497-M549 HydrophobicContact CZ3-CB 4.11Å; W497-M549 HydrophobicContact CZ3-CE 3.74Å; W497-M549 HydrophobicContact CZ3-SD 3.69Å; F508-M549 HydrophobicContact CD1-CE 4.05Å; S545-M549 WeakPolarHBondContact O-CB 3.44Å; S545-M549 WeakPolarHBondContact O-CG 3.33Å; S545-M549 PolarHBondContact O-N 2.61Å; L546-M549 PolarHBondContact O-N 3.45Å; M549-P551 VanDerWaalsContact C-N 3.33Å; M549-L552 HydrophobicContact CB-CD1 4.41Å; M549-L552 VanDerWaalsContact O-CB 3.3Å; M549-L552 WeakPolarHBondContact O-CB 3.49Å; M549-L552 PolarHBondContact O-N 3.26Å; M549-Y553 WeakPolarHBondContact O-CD2 3.36Å; M549-L563 HydrophobicContact CE-CD1 3.71Å
550	L	98.6	Very high	98.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-51.9	-40.8	-178.3	-158.6	64.4	0	0	0	114.6	L510 L546 L552 Y553 L587 I598 F599 F602 W606	L510-L550 HydrophobicContact CD1-CD1 4.34Å; L546-L550 HydrophobicContact CD1-CD1 4.05Å; L546-L550 WeakPolarHBondContact O-CB 3.27Å; L546-L550 PolarHBondContact O-N 3.09Å; L550-L552 PolarHBondContact O-N 3.22Å; L550-Y553 PolarHBondContact O-N 3.44Å; L550-L587 HydrophobicContact CD1-CD1 4.14Å; L550-L587 HydrophobicContact CD1-CD2 3.98Å; L550-L587 HydrophobicContact CD2-CD1 3.87Å; L550-L587 HydrophobicContact CD2-CD2 4.06Å; L550-L587 HydrophobicContact CG-CD1 4.49Å; L550-I598 HydrophobicContact CD2-CG1 4.44Å; L550-F599 HydrophobicContact CD2-CD1 4.45Å; L550-F602 HydrophobicContact CB-CD1 4.47Å; L550-F602 HydrophobicContact CB-CE1 4.13Å; L550-F602 HydrophobicContact CB-CZ 4.35Å; L550-F602 HydrophobicContact CD2-CB 3.84Å; L550-F602 HydrophobicContact CD2-CD1 3.52Å; L550-F602 HydrophobicContact CD2-CD2 3.95Å; L550-F602 HydrophobicContact CD2-CE1 3.99Å; L550-F602 HydrophobicContact CD2-CE2 4.37Å; L550-F602 HydrophobicContact CD2-CG 3.48Å; L550-F602 VanDerWaalsContact CD2-CG 3.48Å; L550-F602 HydrophobicContact CD2-CZ 4.39Å; L550-F602 HydrophobicContact CG-CD1 3.59Å; L550-F602 HydrophobicContact CG-CE1 3.7Å; L550-F602 HydrophobicContact CG-CG 4.11Å; L550-F602 HydrophobicContact CG-CZ 4.31Å; L550-W606 HydrophobicContact CD1-CH2 3.74Å; L550-W606 HydrophobicContact CD1-CZ2 4.44Å; L550-W606 HydrophobicContact CD1-CZ3 4.48Å; L550-W606 HydrophobicContact CG-CH2 4.17Å; L550-W606 HydrophobicContact CG-CZ2 4.42Å
551	P	98.8	Very high	98.8	Very high	66 Å²	66	32.8 Å²	32.8	43%	0.429	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-58.3	-30	176.6	-22.4	32	0	0	0	114.2	M549 Y553 D554 F602	M549-P551 VanDerWaalsContact C-N 3.33Å; P551-Y553 PolarHBondContact O-N 2.94Å; P551-Y553 VanDerWaalsContact O-N 3.15Å; P551-D554 PolarHBondContact O-N 3.48Å; P551-D554 VanDerWaalsContact O-N 3.11Å; P551-F602 HydrophobicContact CB-CZ 4.16Å; P551-F602 HydrophobicContact CG-CZ 3.86Å
552	L	98.8	Very high	98.8	Very high	75 Å²	75	27.6 Å²	27.6	39%	0.393	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-66.6	-16.6	-178.5	-56.8	179	0	0	0	113.1	F491 M549 L550 L563	F491-L552 HydrophobicContact CE1-CD1 3.84Å; F491-L552 HydrophobicContact CE2-CD1 4.48Å; F491-L552 HydrophobicContact CZ-CD1 3.68Å; M549-L552 HydrophobicContact CB-CD1 4.41Å; M549-L552 VanDerWaalsContact O-CB 3.3Å; M549-L552 WeakPolarHBondContact O-CB 3.49Å; M549-L552 PolarHBondContact O-N 3.26Å; L550-L552 PolarHBondContact O-N 3.22Å; L552-L563 HydrophobicContact CB-CD2 3.93Å; L552-L563 HydrophobicContact CD1-CD1 4.07Å
553	Y	98.9	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-98.3	-3.7	178.2	-62.1	-91.5	0	0	0	113	W497 F508 L510 M549 L550 P551 T559 I560 L563	W497-Y553 AromaticContact CH2-CE2 3.94Å; W497-Y553 HydrophobicContact CH2-CE2 3.94Å; W497-Y553 AromaticContact CH2-CZ 3.91Å; W497-Y553 WeakPolarHBondContact CH2-OH 3.32Å; W497-Y553 WeakPolarHBondContact CZ2-OH 3.4Å; F508-Y553 PolarHBondContact O-OH 2.85Å; L510-Y553 HydrophobicContact CB-CD1 3.79Å; L510-Y553 HydrophobicContact CB-CE1 3.62Å; L510-Y553 HydrophobicContact CB-CG 4.31Å; L510-Y553 HydrophobicContact CD1-CD2 4.13Å; L510-Y553 HydrophobicContact CD1-CE2 4.03Å; L510-Y553 HydrophobicContact CD1-CG 4.44Å; L510-Y553 HydrophobicContact CD2-CD1 4.01Å; L510-Y553 HydrophobicContact CD2-CD2 4.23Å; L510-Y553 HydrophobicContact CD2-CG 3.79Å; L510-Y553 HydrophobicContact CG-CD1 4.35Å; L510-Y553 HydrophobicContact CG-CE1 4.46Å; L510-Y553 HydrophobicContact CG-CG 4.39Å; M549-Y553 WeakPolarHBondContact O-CD2 3.36Å; L550-Y553 PolarHBondContact O-N 3.44Å; P551-Y553 PolarHBondContact O-N 2.94Å; P551-Y553 VanDerWaalsContact O-N 3.15Å; Y553-T559 CarbonylContact O-C 3.59Å; Y553-T559 WeakPolarHBondContact O-CA 3.4Å; Y553-T559 WeakPolarHBondContact O-CB 3.24Å; Y553-I560 WeakPolarHBondContact CD1-O 3.3Å; Y553-I560 PolarHBondContact O-N 2.93Å; Y553-L563 HydrophobicContact CD1-CD2 4.01Å; Y553-L563 HydrophobicContact CD2-CD2 4.34Å; Y553-L563 HydrophobicContact CE1-CD2 3.66Å; Y553-L563 HydrophobicContact CE1-CG 3.85Å; Y553-L563 HydrophobicContact CE2-CD1 4.28Å; Y553-L563 HydrophobicContact CE2-CD2 4.03Å; Y553-L563 HydrophobicContact CE2-CG 4.24Å; Y553-L563 HydrophobicContact CG-CD2 4.35Å
554	D	98.8	Very high	98.8	Very high	31 Å²	31	29.3 Å²	29.3	17%	0.166	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-94.1	117.2	-179.2	-164.7	-27	0	0	0	110.5	P551 G556 F602 R605 W606 Y609	P551-D554 PolarHBondContact O-N 3.48Å; P551-D554 VanDerWaalsContact O-N 3.11Å; D554-G556 VanDerWaalsContact C-N 3.34Å; D554-G556 PolarHBondContact OD1-N 3.41Å; D554-F602 HydrophobicContact CB-CE1 4.2Å; D554-R605 IonicContact OD2-CZ 2.7Å; D554-R605 VanDerWaalsContact OD2-CZ 3.23Å; D554-R605 IonicContact OD2-NE 3.58Å; D554-R605 PolarHBondContact OD2-NE 3.36Å; D554-R605 IonicContact OD2-NH2 3.29Å; D554-R605 PolarHBondContact OD2-NH2 3.05Å; D554-W606 HydrophobicContact CB-CZ2 4.41Å; D554-W606 VanDerWaalsContact CG-NE1 3.3Å; D554-W606 PolarHBondContact OD2-NE1 3.07Å; D554-Y609 WeakPolarHBondContact OD1-CE2 3.47Å; D554-Y609 PolarHBondContact OD1-OH 2.97Å; D554-Y609 PolarHBondContact OD2-OH 3.14Å
555	T	98.7	Very high	98.7	Very high	55 Å²	55	25.7 Å²	25.7	34%	0.337	15%	0.152	S	C	.	.			trans	-88.1	-4.4	179.2	63.4	0	0	0	0	113.2	S557 G558 I560 L574	T555-S557 VanDerWaalsContact C-N 3.26Å; T555-S557 PolarHBondContact O-N 3.42Å; T555-S557 PolarHBondContact OG1-N 3.49Å; T555-G558 PolarHBondContact N-O 2.84Å; T555-G558 VanDerWaalsContact OG1-C 3.23Å; T555-G558 WeakPolarHBondContact OG1-CA 3.36Å; T555-G558 PolarHBondContact OG1-N 3.39Å; T555-G558 PolarHBondContact OG1-O 2.84Å; T555-I560 HydrophobicContact CG2-CD1 4.1Å; T555-I560 HydrophobicContact CG2-CG1 3.47Å; T555-I560 VanDerWaalsContact CG2-CG1 3.47Å; T555-L574 HydrophobicContact CG2-CD2 3.95Å
556	G	98.6	Very high	98.7	Very high	14 Å²	14	30.8 Å²	30.8	14%	0.144	17%	0.174	C	C	.	.	S	Bend	trans	82.3	-7	-168.2	0	0	0	0	0	114.5	D554 Y609 R614 A615	D554-G556 VanDerWaalsContact C-N 3.34Å; D554-G556 PolarHBondContact OD1-N 3.41Å; G556-Y609 VanDerWaalsContact C-CZ 3.48Å; G556-Y609 WeakPolarHBondContact CA-OH 3.29Å; G556-Y609 WeakPolarHBondContact O-CE1 3.08Å; G556-R614 CarbonylContact O-C 3.13Å; G556-R614 VanDerWaalsContact O-CA 3.24Å; G556-R614 WeakPolarHBondContact O-CA 3.41Å; G556-A615 PolarHBondContact O-N 2.89Å
557	S	98.4	Very high	98.7	Very high	58 Å²	58	33.7 Å²	33.7	41%	0.406	19%	0.188	S	C	.	.	S	Bend	trans	-147.7	8.4	178	59.3	0	0	0	0	114.5	T555	T555-S557 VanDerWaalsContact C-N 3.26Å; T555-S557 PolarHBondContact O-N 3.42Å; T555-S557 PolarHBondContact OG1-N 3.49Å
558	G	98.7	Very high	98.6	Very high	10 Å²	10	33.1 Å²	33.1	10%	0.103	19%	0.188	C	C	.	.	S	Bend	trans	170.6	-172.5	-173.7	0	0	0	0	0	109.3	T555	T555-G558 PolarHBondContact N-O 2.84Å; T555-G558 VanDerWaalsContact OG1-C 3.23Å; T555-G558 WeakPolarHBondContact OG1-CA 3.36Å; T555-G558 PolarHBondContact OG1-N 3.39Å; T555-G558 PolarHBondContact OG1-O 2.84Å
559	T	98.9	Very high	98.6	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-119.4	154.2	176.9	51	0	0	0	0	113.1	Y553 A575 H580 H583 W606	Y553-T559 CarbonylContact O-C 3.59Å; Y553-T559 WeakPolarHBondContact O-CA 3.4Å; Y553-T559 WeakPolarHBondContact O-CB 3.24Å; T559-A575 VanDerWaalsContact O-CB 3.23Å; T559-A575 WeakPolarHBondContact O-CB 3.42Å; T559-A575 PolarHBondContact O-N 2.8Å; T559-H580 VanDerWaalsContact CG2-ND1 3.33Å; T559-H580 WeakPolarHBondContact CG2-ND1 3.39Å; T559-H580 PolarHBondContact OG1-ND1 3.39Å; T559-H583 PolarHBondContact OG1-ND1 3.26Å; T559-W606 HydrophobicContact CG2-CD2 3.58Å; T559-W606 HydrophobicContact CG2-CE3 3.81Å; T559-W606 HydrophobicContact CG2-CG 4.27Å; T559-W606 HydrophobicContact CG2-CH2 3.66Å; T559-W606 HydrophobicContact CG2-CZ2 3.41Å; T559-W606 VanDerWaalsContact CG2-CZ2 3.41Å; T559-W606 HydrophobicContact CG2-CZ3 3.86Å
560	I	98.8	Very high	98.6	Very high	11 Å²	11	38 Å²	38	6%	0.056	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-86.3	146.1	169	-46.1	178.1	0	0	0	108.8	Y553 T555 D562 H565 P572 N573	Y553-I560 WeakPolarHBondContact CD1-O 3.3Å; Y553-I560 PolarHBondContact O-N 2.93Å; T555-I560 HydrophobicContact CG2-CD1 4.1Å; T555-I560 HydrophobicContact CG2-CG1 3.47Å; T555-I560 VanDerWaalsContact CG2-CG1 3.47Å; I560-D562 WeakPolarHBondContact CG2-O 3.47Å; I560-H565 VanDerWaalsContact CD1-CE1 3.49Å; I560-H565 WeakPolarHBondContact CD1-CE1 3.4Å; I560-P572 HydrophobicContact CD1-CB 4.15Å; I560-P572 HydrophobicContact CG1-CB 4.45Å; I560-P572 HydrophobicContact CG2-CB 4.26Å; I560-N573 VanDerWaalsContact CG2-O 3.23Å; I560-N573 WeakPolarHBondContact CG2-O 3.5Å
561	Y	98.8	Very high	98.6	Very high	16 Å²	16	41.7 Å²	41.7	6%	0.063	25%	0.253	C	S	.	.	S	Bend	trans	-76.2	-40.5	178.7	-175.9	-103.6	0	0	0	112.4	E500 V509 L510 N511 N573 Y579	E500-Y561 PolarHBondContact OE1-OH 3.14Å; V509-Y561 HydrophobicContact CB-CE1 4.33Å; V509-Y561 HydrophobicContact CG1-CD1 4.02Å; V509-Y561 HydrophobicContact CG1-CE1 3.43Å; V509-Y561 VanDerWaalsContact CG1-CE1 3.43Å; V509-Y561 HydrophobicContact CG1-CE2 4.04Å; V509-Y561 VanDerWaalsContact CG1-CZ 3.45Å; V509-Y561 HydrophobicContact CG2-CD1 4.42Å; V509-Y561 HydrophobicContact CG2-CE1 3.89Å; L510-Y561 PolarHBondContact N-O 3.05Å; L510-Y561 VanDerWaalsContact N-O 3.14Å; N511-Y561 WeakPolarHBondContact ND2-CE2 3.31Å; N511-Y561 PolarHBondContact ND2-OH 3.39Å; Y561-N573 WeakPolarHBondContact CB-O 3.4Å; Y561-N573 PolarHBondContact N-O 3.46Å; Y561-Y579 HydrophobicContact CD2-CD1 4.42Å; Y561-Y579 AromaticContact CD2-CD2 3.6Å; Y561-Y579 HydrophobicContact CD2-CD2 3.6Å; Y561-Y579 AromaticContact CD2-CE2 3.81Å; Y561-Y579 HydrophobicContact CD2-CE2 3.81Å; Y561-Y579 AromaticContact CD2-CG 3.95Å; Y561-Y579 HydrophobicContact CD2-CG 3.95Å; Y561-Y579 AromaticContact CE2-CD1 3.92Å; Y561-Y579 HydrophobicContact CE2-CD1 3.92Å; Y561-Y579 AromaticContact CE2-CD2 3.56Å; Y561-Y579 HydrophobicContact CE2-CD2 3.56Å; Y561-Y579 AromaticContact CE2-CE1 3.76Å; Y561-Y579 HydrophobicContact CE2-CE1 3.76Å; Y561-Y579 AromaticContact CE2-CE2 3.32Å; Y561-Y579 HydrophobicContact CE2-CE2 3.32Å; Y561-Y579 AromaticContact CE2-CG 3.87Å; Y561-Y579 HydrophobicContact CE2-CG 3.87Å; Y561-Y579 AromaticContact CE2-CZ 3.49Å; Y561-Y579 VanDerWaalsContact CE2-CZ 3.49Å
562	D	98.8	Very high	98.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-151.7	167.7	-174.6	65.8	50.4	0	0	0	111.8	F508 V509 I560 R564 H565 N573	F508-D562 WeakPolarHBondContact O-CA 3.37Å; V509-D562 HydrophobicContact CB-CB 4.47Å; V509-D562 HydrophobicContact CG2-CB 3.93Å; I560-D562 WeakPolarHBondContact CG2-O 3.47Å; D562-R564 VanDerWaalsContact C-N 3.3Å; D562-R564 VanDerWaalsContact CG-NE 3.32Å; D562-R564 PolarHBondContact O-N 2.91Å; D562-R564 WeakPolarHBondContact OD1-CB 3.1Å; D562-R564 WeakPolarHBondContact OD1-CG 3.17Å; D562-R564 IonicContact OD1-CZ 2.98Å; D562-R564 PolarHBondContact OD1-N 3.29Å; D562-R564 IonicContact OD1-NE 3.76Å; D562-R564 PolarHBondContact OD1-NE 3.42Å; D562-R564 IonicContact OD2-CZ 2.73Å; D562-R564 IonicContact OD2-NE 2.68Å; D562-R564 PolarHBondContact OD2-NE 2.87Å; D562-R564 IonicContact OD2-NH2 3.99Å; D562-R564 PolarHBondContact OD2-NH2 2.72Å; D562-H565 PolarHBondContact O-ND1 2.7Å; D562-N573 PolarHBondContact OD2-ND2 3.3Å
563	L	98.8	Very high	98.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	25%	0.247	C	C	.	.	S	Bend	trans	-91.3	23.8	-178.4	-56.6	-176.8	0	0	0	113.5	F491 S507 F508 M549 L552 Y553 H565 F566 M567	F491-L563 HydrophobicContact CD2-CD1 4.21Å; F491-L563 HydrophobicContact CE2-CD1 3.87Å; F491-L563 HydrophobicContact CZ-CD1 4.45Å; S507-L563 PolarHBondContact O-N 3.19Å; S507-L563 VanDerWaalsContact O-N 3.13Å; F508-L563 HydrophobicContact CB-CB 4.03Å; F508-L563 HydrophobicContact CB-CD1 3.95Å; F508-L563 HydrophobicContact CB-CG 3.93Å; F508-L563 HydrophobicContact CD2-CB 4.38Å; F508-L563 HydrophobicContact CG-CD1 4.31Å; F508-L563 PolarHBondContact O-N 3.09Å; M549-L563 HydrophobicContact CE-CD1 3.71Å; L552-L563 HydrophobicContact CB-CD2 3.93Å; L552-L563 HydrophobicContact CD1-CD1 4.07Å; Y553-L563 HydrophobicContact CD1-CD2 4.01Å; Y553-L563 HydrophobicContact CD2-CD2 4.34Å; Y553-L563 HydrophobicContact CE1-CD2 3.66Å; Y553-L563 HydrophobicContact CE1-CG 3.85Å; Y553-L563 HydrophobicContact CE2-CD1 4.28Å; Y553-L563 HydrophobicContact CE2-CD2 4.03Å; Y553-L563 HydrophobicContact CE2-CG 4.24Å; Y553-L563 HydrophobicContact CG-CD2 4.35Å; L563-H565 PolarHBondContact O-N 2.83Å; L563-H565 VanDerWaalsContact O-N 3.08Å; L563-F566 PolarHBondContact O-N 3.48Å; L563-M567 WeakPolarHBondContact O-CG 3.32Å; L563-M567 PolarHBondContact O-N 3.26Å
564	R	98.4	Very high	98.5	Very high	38 Å²	38	46 Å²	46	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-29.4	-178.3	76.6	-180	65.8	-167.6	-8.4	113.8	F435 D562 F566 M567 L568 I570 N573	F435-R564 HydrophobicContact CE2-CB 3.88Å; F435-R564 HydrophobicContact CZ-CB 3.76Å; D562-R564 VanDerWaalsContact C-N 3.3Å; D562-R564 VanDerWaalsContact CG-NE 3.32Å; D562-R564 PolarHBondContact O-N 2.91Å; D562-R564 WeakPolarHBondContact OD1-CB 3.1Å; D562-R564 WeakPolarHBondContact OD1-CG 3.17Å; D562-R564 IonicContact OD1-CZ 2.98Å; D562-R564 PolarHBondContact OD1-N 3.29Å; D562-R564 IonicContact OD1-NE 3.76Å; D562-R564 PolarHBondContact OD1-NE 3.42Å; D562-R564 IonicContact OD2-CZ 2.73Å; D562-R564 IonicContact OD2-NE 2.68Å; D562-R564 PolarHBondContact OD2-NE 2.87Å; D562-R564 IonicContact OD2-NH2 3.99Å; D562-R564 PolarHBondContact OD2-NH2 2.72Å; R564-F566 VanDerWaalsContact C-N 3.32Å; R564-F566 PolarHBondContact O-N 2.88Å; R564-M567 PolarHBondContact O-N 2.93Å; R564-L568 HydrophobicContact CB-CD1 4.32Å; R564-L568 VanDerWaalsContact O-CB 3.28Å; R564-L568 WeakPolarHBondContact O-CB 3.44Å; R564-L568 PolarHBondContact O-N 2.95Å; R564-I570 HydrophobicContact CG-CD1 4Å; R564-I570 HydrophobicContact CG-CG1 4.25Å; R564-N573 HydrophobicContact CG-CB 4.11Å; R564-N573 PolarHBondContact NH2-ND2 3.03Å; R564-N573 VanDerWaalsContact NH2-ND2 3.18Å
565	H	98.5	Very high	98.5	Very high	46 Å²	46	45 Å²	45	21%	0.213	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-39.7	178.6	59.2	-77	0	0	0	112	I560 D562 L563 G569 I570 P572	I560-H565 VanDerWaalsContact CD1-CE1 3.49Å; I560-H565 WeakPolarHBondContact CD1-CE1 3.4Å; D562-H565 PolarHBondContact O-ND1 2.7Å; L563-H565 PolarHBondContact O-N 2.83Å; L563-H565 VanDerWaalsContact O-N 3.08Å; H565-G569 VanDerWaalsContact O-CA 3.27Å; H565-G569 WeakPolarHBondContact O-CA 3.23Å; H565-G569 PolarHBondContact O-N 3.49Å; H565-I570 WeakPolarHBondContact CA-O 3.21Å; H565-I570 WeakPolarHBondContact CB-O 3.44Å; H565-I570 PolarHBondContact O-N 2.87Å; H565-P572 HydrophobicContact CB-CB 4.42Å; H565-P572 HydrophobicContact CB-CG 4.17Å
566	F	98.4	Very high	98.5	Very high	112 Å²	112	48.2 Å²	48.2	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-74.9	-42.7	174.1	-178.2	-95.4	0	0	0	111.6	F491 M492 L563 R564	F491-F566 AromaticContact CE2-CD1 3.84Å; F491-F566 HydrophobicContact CE2-CD1 3.84Å; F491-F566 AromaticContact CE2-CE1 3.82Å; F491-F566 HydrophobicContact CE2-CE1 3.82Å; F491-F566 HydrophobicContact CZ-CD1 4.24Å; F491-F566 AromaticContact CZ-CE1 3.98Å; F491-F566 HydrophobicContact CZ-CE1 3.98Å; F491-F566 HydrophobicContact CZ-CZ 4.45Å; M492-F566 HydrophobicContact CE-CZ 4.29Å; M492-F566 HydrophobicContact CG-CE1 4.25Å; M492-F566 HydrophobicContact CG-CZ 4.42Å; M492-F566 HydrophobicContact SD-CE1 3.64Å; M492-F566 HydrophobicContact SD-CZ 3.84Å; L563-F566 PolarHBondContact O-N 3.48Å; R564-F566 VanDerWaalsContact C-N 3.32Å; R564-F566 PolarHBondContact O-N 2.88Å
567	M	98.3	Very high	98.4	Very high	60 Å²	60	49 Å²	49	30%	0.296	28%	0.277	S	S	.	.	H	α-helix	trans	-74.5	-28.1	-174.5	-60.7	-54.5	-59.1	0	0	114.4	P505 S506 F508 L563 R564	P505-M567 HydrophobicContact CB-CE 4.39Å; S506-M567 WeakPolarHBondContact O-CG 3.28Å; F508-M567 HydrophobicContact CD2-CG 3.99Å; F508-M567 HydrophobicContact CD2-SD 4.09Å; F508-M567 HydrophobicContact CE2-CE 3.96Å; F508-M567 HydrophobicContact CE2-CG 4.07Å; F508-M567 HydrophobicContact CE2-SD 3.65Å; L563-M567 WeakPolarHBondContact O-CG 3.32Å; L563-M567 PolarHBondContact O-N 3.26Å; R564-M567 PolarHBondContact O-N 2.93Å
568	L	98.2	Very high	98.4	Very high	47 Å²	47	48.4 Å²	48.4	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-117.7	-6.4	-175.8	-59.2	175.8	0	0	0	113.5	F435 P505 R564 I570	F435-L568 HydrophobicContact CD2-CD1 3.98Å; F435-L568 HydrophobicContact CE1-CD1 4.23Å; F435-L568 HydrophobicContact CE2-CD1 3.57Å; F435-L568 HydrophobicContact CG-CD1 4.48Å; F435-L568 HydrophobicContact CZ-CD1 3.72Å; F435-L568 HydrophobicContact CZ-CG 4.28Å; P505-L568 HydrophobicContact CG-CD2 3.51Å; R564-L568 HydrophobicContact CB-CD1 4.32Å; R564-L568 VanDerWaalsContact O-CB 3.28Å; R564-L568 WeakPolarHBondContact O-CB 3.44Å; R564-L568 PolarHBondContact O-N 2.95Å; L568-I570 HydrophobicContact CB-CD1 4.17Å; L568-I570 HydrophobicContact CB-CG1 4.07Å; L568-I570 HydrophobicContact CB-CG2 4.23Å; L568-I570 HydrophobicContact CD1-CD1 3.96Å
569	G	97.9	Very high	98.3	Very high	72 Å²	72	50.3 Å²	50.3	74%	0.742	27%	0.274	S	S	*	.	S	Bend	trans	67.4	34.6	-176.9	0	0	0	0	0	113.7	H565	H565-G569 VanDerWaalsContact O-CA 3.27Å; H565-G569 WeakPolarHBondContact O-CA 3.23Å; H565-G569 PolarHBondContact O-N 3.49Å
570	I	98.2	Very high	98.3	Very high	83 Å²	83	50.2 Å²	50.2	43%	0.426	27%	0.273	S	S	.	.			trans	-117.4	179.4	-178.5	65.2	177.5	0	0	0	111.6	R564 H565 L568	R564-I570 HydrophobicContact CG-CD1 4Å; R564-I570 HydrophobicContact CG-CG1 4.25Å; H565-I570 WeakPolarHBondContact CA-O 3.21Å; H565-I570 WeakPolarHBondContact CB-O 3.44Å; H565-I570 PolarHBondContact O-N 2.87Å; L568-I570 HydrophobicContact CB-CD1 4.17Å; L568-I570 HydrophobicContact CB-CG1 4.07Å; L568-I570 HydrophobicContact CB-CG2 4.23Å; L568-I570 HydrophobicContact CD1-CD1 3.96Å
571	A	98.4	Very high	98.3	Very high	77 Å²	77	49.9 Å²	49.9	64%	0.636	27%	0.271	S	S	*	.			trans	-61.7	147.6	176.7	0	0	0	0	0	113	N573	A571-N573 PolarHBondContact O-N 2.87Å
572	P	98.3	Very high	98.3	Very high	66 Å²	66	49.7 Å²	49.7	43%	0.429	27%	0.272	S	S	.	.			trans	-55	132.3	172.2	-27	36.3	0	0	0	113.2	I560 H565 L574	I560-P572 HydrophobicContact CD1-CB 4.15Å; I560-P572 HydrophobicContact CG1-CB 4.45Å; I560-P572 HydrophobicContact CG2-CB 4.26Å; H565-P572 HydrophobicContact CB-CB 4.42Å; H565-P572 HydrophobicContact CB-CG 4.17Å; P572-L574 HydrophobicContact CB-CD2 4.22Å; P572-L574 PolarHBondContact O-N 3.47Å
573	N	98.4	Very high	98.3	Very high	51 Å²	51	49.7 Å²	49.7	27%	0.273	27%	0.272	S	S	.	.			trans	-82.8	89.8	168.2	-178.3	27.6	0	0	0	109.3	I560 Y561 D562 R564 A571 A575	I560-N573 VanDerWaalsContact CG2-O 3.23Å; I560-N573 WeakPolarHBondContact CG2-O 3.5Å; Y561-N573 WeakPolarHBondContact CB-O 3.4Å; Y561-N573 PolarHBondContact N-O 3.46Å; D562-N573 PolarHBondContact OD2-ND2 3.3Å; R564-N573 HydrophobicContact CG-CB 4.11Å; R564-N573 PolarHBondContact NH2-ND2 3.03Å; R564-N573 VanDerWaalsContact NH2-ND2 3.18Å; A571-N573 PolarHBondContact O-N 2.87Å; N573-A575 PolarHBondContact O-N 2.86Å
574	L	98.5	Very high	98.4	Very high	114 Å²	114	49.6 Å²	49.6	60%	0.597	27%	0.272	S	S	*	.	B	Isolated β-bridge	trans	-61.7	134.6	-177.4	-61.7	179.9	0	0	0	111.4	T555 P572 R576	T555-L574 HydrophobicContact CG2-CD2 3.95Å; P572-L574 HydrophobicContact CB-CD2 4.22Å; P572-L574 PolarHBondContact O-N 3.47Å; L574-R576 PolarHBondContact O-N 3.22Å
575	A	98.4	Very high	98.4	Very high	12 Å²	12	48.3 Å²	48.3	10%	0.099	27%	0.267	C	S	.	.			trans	-75.1	115.1	173.1	0	0	0	0	0	108.9	T559 N573	T559-A575 VanDerWaalsContact O-CB 3.23Å; T559-A575 WeakPolarHBondContact O-CB 3.42Å; T559-A575 PolarHBondContact O-N 2.8Å; N573-A575 PolarHBondContact O-N 2.86Å
576	R	98	Very high	98.4	Very high	122 Å²	122	46.1 Å²	46.1	46%	0.46	26%	0.257	S	S	.	.			trans	-52.9	156.2	169	63.3	170.8	-162.4	-87.8	-15.9	111.7	Y158 L574 D578 Y579 H580	Y158-R576 WeakPolarHBondContact OH-CB 3.31Å; L574-R576 PolarHBondContact O-N 3.22Å; R576-D578 VanDerWaalsContact C-N 3.28Å; R576-D578 WeakPolarHBondContact CD-OD1 3.31Å; R576-D578 WeakPolarHBondContact CG-OD1 3.2Å; R576-D578 IonicContact CZ-OD1 2.68Å; R576-D578 IonicContact CZ-OD2 2.79Å; R576-D578 IonicContact NE-OD1 3.88Å; R576-D578 PolarHBondContact NE-OD1 3.08Å; R576-D578 IonicContact NE-OD2 2.88Å; R576-D578 PolarHBondContact NE-OD2 3.35Å; R576-D578 IonicContact NH2-OD2 3.72Å; R576-D578 PolarHBondContact NH2-OD2 2.89Å; R576-D578 PolarHBondContact O-N 3.38Å; R576-D578 VanDerWaalsContact O-N 3.08Å; R576-Y579 HydrophobicContact CG-CD2 3.8Å; R576-Y579 HydrophobicContact CG-CG 4.49Å; R576-Y579 VanDerWaalsContact CZ-CD2 3.47Å; R576-Y579 WeakPolarHBondContact O-CA 3.32Å; R576-Y579 WeakPolarHBondContact O-CB 3.27Å; R576-Y579 PolarHBondContact O-N 3.29Å; R576-H580 PolarHBondContact O-N 2.85Å
577	W	98.3	Very high	98.4	Very high	31 Å²	31	40.8 Å²	40.8	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-33	-166.2	-69.7	119	0	0	0	115.1	Y140 H156 Y158 H580 T581 L610	Y140-W577 AromaticContact CE2-CD1 3.96Å; H156-W577 AromaticContact CD2-CH2 3.82Å; H156-W577 AromaticContact CD2-CZ2 3.7Å; H156-W577 AromaticContact NE2-CH2 3.92Å; H156-W577 AromaticContact NE2-CZ2 3.78Å; Y158-W577 HydrophobicContact CD1-CB 3.9Å; Y158-W577 AromaticContact CD1-CD1 3.65Å; Y158-W577 HydrophobicContact CD1-CG 4.15Å; Y158-W577 HydrophobicContact CD2-CB 4.31Å; Y158-W577 HydrophobicContact CE1-CB 3.75Å; Y158-W577 AromaticContact CE1-CD1 3.6Å; Y158-W577 HydrophobicContact CE1-CG 4.07Å; Y158-W577 HydrophobicContact CE2-CB 4.14Å; Y158-W577 HydrophobicContact CG-CB 4.18Å; Y158-W577 WeakPolarHBondContact O-CB 3.08Å; W577-H580 HydrophobicContact CE3-CB 4.19Å; W577-H580 AromaticContact CE3-CD2 3.85Å; W577-H580 AromaticContact CZ3-CD2 3.77Å; W577-H580 WeakPolarHBondContact O-CB 3.48Å; W577-H580 PolarHBondContact O-N 3.3Å; W577-T581 PolarHBondContact O-N 3.45Å; W577-T581 PolarHBondContact O-OG1 3.48Å; W577-L610 HydrophobicContact CE3-CD2 3.89Å; W577-L610 HydrophobicContact CZ3-CD2 4.21Å
578	D	96.8	Very high	98.4	Very high	44 Å²	44	38.9 Å²	38.9	24%	0.235	22%	0.224	C	C	.	.	H	α-helix	trans	-67.6	-36.2	174.6	55.9	-60.5	0	0	0	113	Y158 R576 T581 T582	Y158-D578 HydrophobicContact CE2-CB 4Å; Y158-D578 WeakPolarHBondContact CE2-OD1 3.1Å; Y158-D578 PolarHBondContact OH-OD1 3.43Å; R576-D578 VanDerWaalsContact C-N 3.28Å; R576-D578 WeakPolarHBondContact CD-OD1 3.31Å; R576-D578 WeakPolarHBondContact CG-OD1 3.2Å; R576-D578 IonicContact CZ-OD1 2.68Å; R576-D578 IonicContact CZ-OD2 2.79Å; R576-D578 IonicContact NE-OD1 3.88Å; R576-D578 PolarHBondContact NE-OD1 3.08Å; R576-D578 IonicContact NE-OD2 2.88Å; R576-D578 PolarHBondContact NE-OD2 3.35Å; R576-D578 IonicContact NH2-OD2 3.72Å; R576-D578 PolarHBondContact NH2-OD2 2.89Å; R576-D578 PolarHBondContact O-N 3.38Å; R576-D578 VanDerWaalsContact O-N 3.08Å; D578-T581 WeakPolarHBondContact CA-OG1 3.35Å; D578-T581 PolarHBondContact O-OG1 2.81Å; D578-T582 PolarHBondContact O-N 3.04Å; D578-T582 PolarHBondContact O-OG1 3.49Å
579	Y	98.4	Very high	98.4	Very high	51 Å²	51	36.8 Å²	36.8	20%	0.2	21%	0.213	C	C	.	.	H	α-helix	trans	-70.5	-37.9	170	-79.8	-48.7	0	0	0	112.1	Y561 R576 T581 T582 H583	Y561-Y579 HydrophobicContact CD2-CD1 4.42Å; Y561-Y579 AromaticContact CD2-CD2 3.6Å; Y561-Y579 HydrophobicContact CD2-CD2 3.6Å; Y561-Y579 AromaticContact CD2-CE2 3.81Å; Y561-Y579 HydrophobicContact CD2-CE2 3.81Å; Y561-Y579 AromaticContact CD2-CG 3.95Å; Y561-Y579 HydrophobicContact CD2-CG 3.95Å; Y561-Y579 AromaticContact CE2-CD1 3.92Å; Y561-Y579 HydrophobicContact CE2-CD1 3.92Å; Y561-Y579 AromaticContact CE2-CD2 3.56Å; Y561-Y579 HydrophobicContact CE2-CD2 3.56Å; Y561-Y579 AromaticContact CE2-CE1 3.76Å; Y561-Y579 HydrophobicContact CE2-CE1 3.76Å; Y561-Y579 AromaticContact CE2-CE2 3.32Å; Y561-Y579 HydrophobicContact CE2-CE2 3.32Å; Y561-Y579 AromaticContact CE2-CG 3.87Å; Y561-Y579 HydrophobicContact CE2-CG 3.87Å; Y561-Y579 AromaticContact CE2-CZ 3.49Å; Y561-Y579 VanDerWaalsContact CE2-CZ 3.49Å; R576-Y579 HydrophobicContact CG-CD2 3.8Å; R576-Y579 HydrophobicContact CG-CG 4.49Å; R576-Y579 VanDerWaalsContact CZ-CD2 3.47Å; R576-Y579 WeakPolarHBondContact O-CA 3.32Å; R576-Y579 WeakPolarHBondContact O-CB 3.27Å; R576-Y579 PolarHBondContact O-N 3.29Å; Y579-T581 VanDerWaalsContact C-N 3.34Å; Y579-T581 PolarHBondContact O-N 3.49Å; Y579-T582 CarbonylContact O-C 3.25Å; Y579-T582 WeakPolarHBondContact O-CA 3.34Å; Y579-T582 VanDerWaalsContact O-CB 3.31Å; Y579-T582 WeakPolarHBondContact O-CB 3.11Å; Y579-T582 PolarHBondContact O-N 2.73Å; Y579-H583 VanDerWaalsContact O-CG 3.29Å; Y579-H583 PolarHBondContact O-N 3.41Å
580	H	98.8	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.1	-46.7	173.2	-175	61.6	0	0	0	111.4	T559 R576 W577 T582 H583 I584 W606 Y609	T559-H580 VanDerWaalsContact CG2-ND1 3.33Å; T559-H580 WeakPolarHBondContact CG2-ND1 3.39Å; T559-H580 PolarHBondContact OG1-ND1 3.39Å; R576-H580 PolarHBondContact O-N 2.85Å; W577-H580 HydrophobicContact CE3-CB 4.19Å; W577-H580 AromaticContact CE3-CD2 3.85Å; W577-H580 AromaticContact CZ3-CD2 3.77Å; W577-H580 WeakPolarHBondContact O-CB 3.48Å; W577-H580 PolarHBondContact O-N 3.3Å; H580-T582 VanDerWaalsContact C-N 3.28Å; H580-T582 PolarHBondContact O-N 3.38Å; H580-H583 WeakPolarHBondContact O-CB 3.38Å; H580-H583 PolarHBondContact O-N 2.89Å; H580-I584 WeakPolarHBondContact O-CG1 3.28Å; H580-I584 PolarHBondContact O-N 3.15Å; H580-W606 AromaticContact CE1-CG 3.83Å; H580-W606 PolarHBondContact NE2-O 3.13Å; H580-W606 VanDerWaalsContact NE2-O 3.11Å; H580-Y609 AromaticContact CE1-CD2 3.88Å
581	T	98.7	Very high	98.5	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-31.5	173.4	55.1	0	0	0	0	113.2	S159 V161 W577 D578 Y579 I584 N585 L610	S159-T581 WeakPolarHBondContact CB-OG1 3.33Å; S159-T581 PolarHBondContact OG-OG1 3.42Å; V161-T581 HydrophobicContact CG2-CG2 4.36Å; W577-T581 PolarHBondContact O-N 3.45Å; W577-T581 PolarHBondContact O-OG1 3.48Å; D578-T581 WeakPolarHBondContact CA-OG1 3.35Å; D578-T581 PolarHBondContact O-OG1 2.81Å; Y579-T581 VanDerWaalsContact C-N 3.34Å; Y579-T581 PolarHBondContact O-N 3.49Å; T581-I584 PolarHBondContact O-N 3Å; T581-N585 WeakPolarHBondContact O-CB 3.44Å; T581-N585 PolarHBondContact O-N 3.46Å; T581-N585 PolarHBondContact O-ND2 3.27Å; T581-N585 PolarHBondContact O-OD1 3.06Å; T581-L610 HydrophobicContact CG2-CD1 4.13Å; T581-L610 HydrophobicContact CG2-CD2 3.83Å
582	T	98.8	Very high	98.5	Very high	12 Å²	12	28.4 Å²	28.4	7%	0.074	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-45.5	173.2	-60.7	0	0	0	0	110.6	N511 Y515 D578 Y579 H580 I584 N585 Q586	N511-T582 HydrophobicContact CB-CG2 4.39Å; Y515-T582 HydrophobicContact CE2-CG2 4.23Å; D578-T582 PolarHBondContact O-N 3.04Å; D578-T582 PolarHBondContact O-OG1 3.49Å; Y579-T582 CarbonylContact O-C 3.25Å; Y579-T582 WeakPolarHBondContact O-CA 3.34Å; Y579-T582 VanDerWaalsContact O-CB 3.31Å; Y579-T582 WeakPolarHBondContact O-CB 3.11Å; Y579-T582 PolarHBondContact O-N 2.73Å; H580-T582 VanDerWaalsContact C-N 3.28Å; H580-T582 PolarHBondContact O-N 3.38Å; T582-I584 VanDerWaalsContact C-N 3.32Å; T582-I584 PolarHBondContact O-N 3.4Å; T582-N585 PolarHBondContact O-N 2.78Å; T582-Q586 HydrophobicContact CG2-CG 4.4Å; T582-Q586 VanDerWaalsContact O-CG 3.28Å; T582-Q586 WeakPolarHBondContact O-CG 3.42Å; T582-Q586 PolarHBondContact O-N 3.48Å
583	H	98.9	Very high	98.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-44	175.5	-60.3	160.7	0	0	0	111.5	L510 M514 T559 Y579 H580 Q586 L587 W606	L510-H583 HydrophobicContact CD2-CB 4.48Å; M514-H583 HydrophobicContact CE-CB 4.23Å; T559-H583 PolarHBondContact OG1-ND1 3.26Å; Y579-H583 VanDerWaalsContact O-CG 3.29Å; Y579-H583 PolarHBondContact O-N 3.41Å; H580-H583 WeakPolarHBondContact O-CB 3.38Å; H580-H583 PolarHBondContact O-N 2.89Å; H583-Q586 PolarHBondContact O-N 3.48Å; H583-L587 WeakPolarHBondContact O-CG 3.38Å; H583-L587 PolarHBondContact O-N 3Å; H583-W606 HydrophobicContact CB-CE3 4.14Å; H583-W606 HydrophobicContact CB-CZ3 3.68Å
584	I	98.9	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-47.2	175.7	-63	166.6	0	0	0	111	V161 H580 T581 T582 Q586 L587 Q588 V603 W606 K607 L610	V161-I584 HydrophobicContact CB-CG2 4.42Å; V161-I584 HydrophobicContact CG1-CG2 3.62Å; V161-I584 HydrophobicContact CG2-CB 4.29Å; V161-I584 HydrophobicContact CG2-CD1 3.96Å; V161-I584 HydrophobicContact CG2-CG2 3.83Å; H580-I584 WeakPolarHBondContact O-CG1 3.28Å; H580-I584 PolarHBondContact O-N 3.15Å; T581-I584 PolarHBondContact O-N 3Å; T582-I584 VanDerWaalsContact C-N 3.32Å; T582-I584 PolarHBondContact O-N 3.4Å; I584-Q586 VanDerWaalsContact C-N 3.31Å; I584-Q586 PolarHBondContact O-N 2.95Å; I584-L587 PolarHBondContact O-N 2.77Å; I584-Q588 VanDerWaalsContact O-CB 3.25Å; I584-Q588 WeakPolarHBondContact O-CB 3.24Å; I584-Q588 PolarHBondContact O-N 3.46Å; I584-V603 HydrophobicContact CG2-CG1 4.28Å; I584-W606 HydrophobicContact CD1-CB 3.97Å; I584-W606 HydrophobicContact CG1-CB 3.68Å; I584-W606 HydrophobicContact CG1-CE3 4.3Å; I584-K607 HydrophobicContact CD1-CG 4.47Å; I584-K607 HydrophobicContact CG2-CG 3.91Å; I584-L610 HydrophobicContact CD1-CD1 3.95Å; I584-L610 HydrophobicContact CD1-CG 4.36Å
585	N	98.8	Very high	98.4	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.053	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-40	-179.8	-69.5	-19.6	0	0	0	111.9	V161 Y162 M175 T581 T582 L589	V161-N585 WeakPolarHBondContact CG1-OD1 3.48Å; Y162-N585 WeakPolarHBondContact CB-OD1 3.08Å; Y162-N585 PolarHBondContact N-OD1 2.77Å; M175-N585 HydrophobicContact CE-CB 3.98Å; M175-N585 HydrophobicContact CG-CB 4.13Å; M175-N585 HydrophobicContact SD-CB 3.81Å; T581-N585 WeakPolarHBondContact O-CB 3.44Å; T581-N585 PolarHBondContact O-N 3.46Å; T581-N585 PolarHBondContact O-ND2 3.27Å; T581-N585 PolarHBondContact O-OD1 3.06Å; T582-N585 PolarHBondContact O-N 2.78Å; N585-L589 WeakPolarHBondContact O-CB 3.15Å; N585-L589 PolarHBondContact O-N 3.33Å
586	Q	98.8	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-47.8	177.3	-70.7	173.4	-49	0	0	111.5	M175 N511 M514 Y515 T582 H583 I584 Q588 L589 L590	M175-Q586 HydrophobicContact SD-CG 3.75Å; N511-Q586 PolarHBondContact O-NE2 2.87Å; M514-Q586 HydrophobicContact CB-CB 4.12Å; M514-Q586 HydrophobicContact CB-CG 4.35Å; M514-Q586 HydrophobicContact CE-CB 3.74Å; M514-Q586 HydrophobicContact CE-CG 4.43Å; M514-Q586 HydrophobicContact SD-CB 3.71Å; Y515-Q586 HydrophobicContact CE1-CG 4.43Å; Y515-Q586 VanDerWaalsContact CG-NE2 3.34Å; T582-Q586 HydrophobicContact CG2-CG 4.4Å; T582-Q586 VanDerWaalsContact O-CG 3.28Å; T582-Q586 WeakPolarHBondContact O-CG 3.42Å; T582-Q586 PolarHBondContact O-N 3.48Å; H583-Q586 PolarHBondContact O-N 3.48Å; I584-Q586 VanDerWaalsContact C-N 3.31Å; I584-Q586 PolarHBondContact O-N 2.95Å; Q586-Q588 VanDerWaalsContact C-N 3.31Å; Q586-Q588 PolarHBondContact O-N 2.82Å; Q586-L589 WeakPolarHBondContact O-CB 3.32Å; Q586-L589 PolarHBondContact O-N 2.94Å; Q586-L590 VanDerWaalsContact O-CG 3.31Å; Q586-L590 WeakPolarHBondContact O-CG 3.4Å; Q586-L590 PolarHBondContact O-N 3.28Å
587	L	98.8	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-35.8	176.6	-68.3	-174.1	0	0	0	112.6	M514 L550 H583 I584 L590 S591 F599 F602 V603 W606	M514-L587 HydrophobicContact CE-CD2 4.47Å; M514-L587 HydrophobicContact SD-CD2 3.53Å; M514-L587 VanDerWaalsContact SD-CD2 3.53Å; M514-L587 HydrophobicContact SD-CG 4.08Å; L550-L587 HydrophobicContact CD1-CD1 4.14Å; L550-L587 HydrophobicContact CD1-CD2 3.98Å; L550-L587 HydrophobicContact CD2-CD1 3.87Å; L550-L587 HydrophobicContact CD2-CD2 4.06Å; L550-L587 HydrophobicContact CG-CD1 4.49Å; H583-L587 WeakPolarHBondContact O-CG 3.38Å; H583-L587 PolarHBondContact O-N 3Å; I584-L587 PolarHBondContact O-N 2.77Å; L587-L590 HydrophobicContact CD2-CD1 4.49Å; L587-L590 PolarHBondContact O-N 3.43Å; L587-S591 WeakPolarHBondContact O-CB 3.36Å; L587-S591 PolarHBondContact O-N 2.51Å; L587-F599 HydrophobicContact CD2-CD1 3.81Å; L587-F599 HydrophobicContact CD2-CE1 4.09Å; L587-F602 HydrophobicContact CD1-CB 3.94Å; L587-V603 HydrophobicContact CB-CG2 3.49Å; L587-V603 VanDerWaalsContact CB-CG2 3.49Å; L587-W606 HydrophobicContact CD1-CD2 4.5Å; L587-W606 HydrophobicContact CD1-CE3 3.64Å; L587-W606 HydrophobicContact CD1-CH2 3.88Å; L587-W606 HydrophobicContact CD1-CZ3 3.25Å; L587-W606 HydrophobicContact CG-CZ3 4.12Å
588	Q	98.6	Very high	98.4	Very high	21 Å²	21	26 Å²	26	10%	0.098	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-44.4	175.8	-166.9	179.8	-74.1	0	0	110.4	Y162 Q164 I584 Q586 S591 V603 K607	Y162-Q588 PolarHBondContact O-NE2 3.37Å; Y162-Q588 VanDerWaalsContact O-NE2 3.11Å; Q164-Q588 PolarHBondContact OE1-O 2.94Å; I584-Q588 VanDerWaalsContact O-CB 3.25Å; I584-Q588 WeakPolarHBondContact O-CB 3.24Å; I584-Q588 PolarHBondContact O-N 3.46Å; Q586-Q588 VanDerWaalsContact C-N 3.31Å; Q586-Q588 PolarHBondContact O-N 2.82Å; Q588-S591 PolarHBondContact O-N 3.34Å; Q588-S591 PolarHBondContact O-OG 2.94Å; Q588-V603 HydrophobicContact CB-CG1 4.45Å; Q588-V603 HydrophobicContact CB-CG2 4.28Å; Q588-K607 VanDerWaalsContact OE1-CE 3.26Å
589	L	98.8	Very high	98.5	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-58	-53	172	-179.6	159.7	0	0	0	111.2	Y168 M175 I518 N585 Q586 S591 T592 I593	Y168-L589 HydrophobicContact CD1-CD1 4.42Å; Y168-L589 HydrophobicContact CD1-CD2 3.82Å; Y168-L589 HydrophobicContact CD1-CG 4.2Å; Y168-L589 HydrophobicContact CD2-CD1 3.59Å; Y168-L589 HydrophobicContact CD2-CD2 4.41Å; Y168-L589 HydrophobicContact CD2-CG 3.93Å; Y168-L589 HydrophobicContact CE1-CD2 4.38Å; Y168-L589 HydrophobicContact CE2-CD1 3.91Å; Y168-L589 HydrophobicContact CG-CD1 3.87Å; Y168-L589 HydrophobicContact CG-CD2 3.84Å; Y168-L589 HydrophobicContact CG-CG 3.69Å; M175-L589 HydrophobicContact CB-CD1 3.72Å; M175-L589 HydrophobicContact CG-CD1 3.96Å; I518-L589 HydrophobicContact CD1-CD1 4.13Å; I518-L589 HydrophobicContact CD1-CD2 4.05Å; I518-L589 HydrophobicContact CG1-CD2 3.9Å; N585-L589 WeakPolarHBondContact O-CB 3.15Å; N585-L589 PolarHBondContact O-N 3.33Å; Q586-L589 WeakPolarHBondContact O-CB 3.32Å; Q586-L589 PolarHBondContact O-N 2.94Å; L589-S591 PolarHBondContact O-N 3.1Å; L589-T592 PolarHBondContact O-N 3.16Å; L589-T592 PolarHBondContact O-OG1 3.22Å; L589-I593 HydrophobicContact CD2-CD1 4.08Å
590	L	98.6	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-34.8	-179.1	-67.8	177.3	0	0	0	112.1	M514 I518 M543 L546 Q586 L587 T592 I593 D594	M514-L590 HydrophobicContact CG-CD1 4.27Å; M514-L590 HydrophobicContact SD-CD1 4.04Å; I518-L590 HydrophobicContact CG1-CD2 4.14Å; M543-L590 HydrophobicContact SD-CD1 4.4Å; M543-L590 HydrophobicContact SD-CD2 4.25Å; L546-L590 HydrophobicContact CD2-CD1 3.45Å; L546-L590 VanDerWaalsContact CD2-CD1 3.45Å; Q586-L590 VanDerWaalsContact O-CG 3.31Å; Q586-L590 WeakPolarHBondContact O-CG 3.4Å; Q586-L590 PolarHBondContact O-N 3.28Å; L587-L590 HydrophobicContact CD2-CD1 4.49Å; L587-L590 PolarHBondContact O-N 3.43Å; L590-T592 PolarHBondContact O-N 3.16Å; L590-T592 VanDerWaalsContact O-N 3.13Å; L590-I593 HydrophobicContact CD2-CD1 3.97Å; L590-I593 HydrophobicContact CD2-CG1 4.5Å; L590-I593 VanDerWaalsContact O-CG1 3.3Å; L590-I593 WeakPolarHBondContact O-CG1 3.4Å; L590-I593 PolarHBondContact O-N 3.49Å; L590-I593 VanDerWaalsContact O-N 3.09Å; L590-D594 PolarHBondContact O-N 3.27Å
591	S	98.5	Very high	98.5	Very high	15 Å²	15	31.7 Å²	31.7	11%	0.105	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.3	176.8	77.9	0	0	0	0	114.7	L587 Q588 L589	L587-S591 WeakPolarHBondContact O-CB 3.36Å; L587-S591 PolarHBondContact O-N 2.51Å; Q588-S591 PolarHBondContact O-N 3.34Å; Q588-S591 PolarHBondContact O-OG 2.94Å; L589-S591 PolarHBondContact O-N 3.1Å
592	T	98.4	Very high	98.5	Very high	41 Å²	41	32.1 Å²	32.1	25%	0.252	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-8.2	175.5	66.7	0	0	0	0	113.9	Q164 Y168 L589 L590	Q164-T592 PolarHBondContact NE2-OG1 3.03Å; Y168-T592 PolarHBondContact N-OG1 2.95Å; Y168-T592 VanDerWaalsContact N-OG1 3.1Å; L589-T592 PolarHBondContact O-N 3.16Å; L589-T592 PolarHBondContact O-OG1 3.22Å; L590-T592 PolarHBondContact O-N 3.16Å; L590-T592 VanDerWaalsContact O-N 3.13Å
593	I	98.2	Very high	98.5	Very high	34 Å²	34	32.1 Å²	32.1	17%	0.174	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-6.9	-179.2	62.4	175.2	0	0	0	112.5	Y168 Y521 L589 L590	Y168-I593 HydrophobicContact CD1-CD1 4.43Å; Y168-I593 HydrophobicContact CD1-CG2 4.26Å; Y521-I593 HydrophobicContact CD1-CD1 3.95Å; Y521-I593 HydrophobicContact CD2-CD1 3.68Å; Y521-I593 HydrophobicContact CE1-CD1 4.04Å; Y521-I593 HydrophobicContact CE1-CG2 4.04Å; Y521-I593 HydrophobicContact CE2-CB 3.81Å; Y521-I593 HydrophobicContact CE2-CD1 3.79Å; Y521-I593 HydrophobicContact CE2-CG1 4.27Å; Y521-I593 HydrophobicContact CE2-CG2 4.2Å; Y521-I593 HydrophobicContact CG-CD1 3.76Å; Y521-I593 WeakPolarHBondContact OH-CG2 3.33Å; L589-I593 HydrophobicContact CD2-CD1 4.08Å; L590-I593 HydrophobicContact CD2-CD1 3.97Å; L590-I593 HydrophobicContact CD2-CG1 4.5Å; L590-I593 VanDerWaalsContact O-CG1 3.3Å; L590-I593 WeakPolarHBondContact O-CG1 3.4Å; L590-I593 PolarHBondContact O-N 3.49Å; L590-I593 VanDerWaalsContact O-N 3.09Å
594	D	98.1	Very high	98.5	Very high	29 Å²	29	40.2 Å²	40.2	16%	0.155	20%	0.202	C	C	.	.			trans	-141.8	118.9	171.5	-174.5	-46.4	0	0	0	109	M543 K547 L590 S596 F599	M543-D594 HydrophobicContact CE-CB 3.76Å; M543-D594 WeakPolarHBondContact CE-OD2 3.45Å; K547-D594 VanDerWaalsContact CE-OD2 3.24Å; K547-D594 WeakPolarHBondContact CE-OD2 3.33Å; K547-D594 IonicContact NZ-OD1 3.63Å; K547-D594 PolarHBondContact NZ-OD1 3.28Å; K547-D594 IonicContact NZ-OD2 3.54Å; K547-D594 PolarHBondContact NZ-OD2 2.76Å; L590-D594 PolarHBondContact O-N 3.27Å; D594-S596 PolarHBondContact O-N 3.14Å; D594-S596 WeakPolarHBondContact OD1-CB 3.31Å; D594-S596 PolarHBondContact OD1-N 3.13Å; D594-S596 PolarHBondContact OD1-OG 2.92Å; D594-F599 HydrophobicContact CB-CD2 4.36Å; D594-F599 HydrophobicContact CB-CE2 3.93Å
595	E	97.4	Very high	98.5	Very high	130 Å²	130	43.7 Å²	43.7	61%	0.607	22%	0.215	S	C	*	.			trans	-78.6	6.6	-172.9	-69.3	-63.5	159.4	0	0	114.5	P597 K600	E595-P597 WeakPolarHBondContact O-CD 3.5Å; E595-K600 IonicContact OE2-NZ 3.46Å; E595-K600 PolarHBondContact OE2-NZ 3.16Å
596	S	98.3	Very high	98.5	Very high	28 Å²	28	43.2 Å²	43.2	20%	0.196	21%	0.213	C	C	.	.			trans	-57.6	124.7	-179.3	-60.8	0	0	0	0	111.6	K547 D594 I598 F599	K547-S596 VanDerWaalsContact CE-OG 3.27Å; K547-S596 WeakPolarHBondContact CE-OG 3.48Å; K547-S596 PolarHBondContact NZ-OG 3.16Å; D594-S596 PolarHBondContact O-N 3.14Å; D594-S596 WeakPolarHBondContact OD1-CB 3.31Å; D594-S596 PolarHBondContact OD1-N 3.13Å; D594-S596 PolarHBondContact OD1-OG 2.92Å; S596-I598 PolarHBondContact O-N 2.99Å; S596-F599 PolarHBondContact O-N 3.22Å
597	P	98.3	Very high	98.5	Very high	86 Å²	86	47.1 Å²	47.1	56%	0.558	23%	0.23	S	C	*	.	H	α-helix	trans	-55.9	-31.5	-175.6	-28.7	35	0	0	0	114.4	E595 F599 K600 E601	E595-P597 WeakPolarHBondContact O-CD 3.5Å; P597-F599 PolarHBondContact O-N 3.08Å; P597-F599 VanDerWaalsContact O-N 3.13Å; P597-K600 PolarHBondContact O-N 3.47Å; P597-E601 WeakPolarHBondContact O-CG 3.31Å; P597-E601 PolarHBondContact O-N 2.92Å
598	I	98.4	Very high	98.5	Very high	38 Å²	38	48.9 Å²	48.9	20%	0.195	24%	0.242	C	C	.	.	H	α-helix	trans	-51.5	-38.7	-179.7	-166.9	172.3	0	0	0	112.6	K547 L550 S596 F602	K547-I598 HydrophobicContact CB-CG2 4.46Å; K547-I598 HydrophobicContact CG-CG2 4.04Å; K547-I598 WeakPolarHBondContact O-CD1 3.45Å; L550-I598 HydrophobicContact CD2-CG1 4.44Å; S596-I598 PolarHBondContact O-N 2.99Å; I598-F602 HydrophobicContact CD1-CE2 4.07Å; I598-F602 HydrophobicContact CG1-CD2 3.61Å; I598-F602 HydrophobicContact CG1-CE2 3.58Å; I598-F602 WeakPolarHBondContact O-CB 3.4Å; I598-F602 WeakPolarHBondContact O-CD2 3.38Å; I598-F602 PolarHBondContact O-N 3.45Å
599	F	98.4	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-45.1	179.8	-61.6	-47.8	0	0	0	111.8	M543 L546 K547 L550 L587 D594 S596 P597 E601 F602 V603	M543-F599 HydrophobicContact CE-CE2 3.48Å; M543-F599 VanDerWaalsContact CE-CE2 3.48Å; M543-F599 HydrophobicContact CE-CZ 3.43Å; M543-F599 VanDerWaalsContact CE-CZ 3.43Å; M543-F599 HydrophobicContact SD-CZ 4.44Å; L546-F599 HydrophobicContact CD2-CE1 3.87Å; L546-F599 HydrophobicContact CD2-CZ 4.18Å; L546-F599 HydrophobicContact CG-CE1 4.23Å; K547-F599 HydrophobicContact CD-CZ 4.46Å; K547-F599 HydrophobicContact CG-CE1 4.29Å; K547-F599 HydrophobicContact CG-CE2 4.37Å; K547-F599 HydrophobicContact CG-CZ 3.77Å; L550-F599 HydrophobicContact CD2-CD1 4.45Å; L587-F599 HydrophobicContact CD2-CD1 3.81Å; L587-F599 HydrophobicContact CD2-CE1 4.09Å; D594-F599 HydrophobicContact CB-CD2 4.36Å; D594-F599 HydrophobicContact CB-CE2 3.93Å; S596-F599 PolarHBondContact O-N 3.22Å; P597-F599 PolarHBondContact O-N 3.08Å; P597-F599 VanDerWaalsContact O-N 3.13Å; F599-E601 VanDerWaalsContact C-N 3.34Å; F599-E601 PolarHBondContact O-N 3.45Å; F599-F602 PolarHBondContact O-N 3.04Å; F599-V603 WeakPolarHBondContact O-CB 3.46Å; F599-V603 WeakPolarHBondContact O-CG2 3.31Å; F599-V603 PolarHBondContact O-N 3.24Å
600	K	98.1	Very high	98.5	Very high	103 Å²	103	48.9 Å²	48.9	45%	0.448	24%	0.243	S	C	.	.	H	α-helix	trans	-64.8	-39.8	179.2	-64.3	176.5	-174.5	167.3	0	111	E595 P597 K604	E595-K600 IonicContact OE2-NZ 3.46Å; E595-K600 PolarHBondContact OE2-NZ 3.16Å; P597-K600 PolarHBondContact O-N 3.47Å; K600-K604 WeakPolarHBondContact O-CB 3.35Å; K600-K604 PolarHBondContact O-N 3.36Å
601	E	98.6	Very high	98.4	Very high	112 Å²	112	57.5 Å²	57.5	52%	0.523	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-49.2	176.8	-71.4	173.7	-167.9	0	0	112.6	P597 F599 K604 R605	P597-E601 WeakPolarHBondContact O-CG 3.31Å; P597-E601 PolarHBondContact O-N 2.92Å; F599-E601 VanDerWaalsContact C-N 3.34Å; F599-E601 PolarHBondContact O-N 3.45Å; E601-K604 PolarHBondContact O-N 2.71Å; E601-R605 WeakPolarHBondContact O-CB 3.27Å; E601-R605 PolarHBondContact O-N 2.9Å
602	F	98.8	Very high	98.4	Very high	13 Å²	13	57.6 Å²	57.6	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-42.1	178.6	-86.7	-109.2	0	0	0	111.6	L550 P551 D554 L587 I598 F599 K604 R605 W606	L550-F602 HydrophobicContact CB-CD1 4.47Å; L550-F602 HydrophobicContact CB-CE1 4.13Å; L550-F602 HydrophobicContact CB-CZ 4.35Å; L550-F602 HydrophobicContact CD2-CB 3.84Å; L550-F602 HydrophobicContact CD2-CD1 3.52Å; L550-F602 HydrophobicContact CD2-CD2 3.95Å; L550-F602 HydrophobicContact CD2-CE1 3.99Å; L550-F602 HydrophobicContact CD2-CE2 4.37Å; L550-F602 HydrophobicContact CD2-CG 3.48Å; L550-F602 VanDerWaalsContact CD2-CG 3.48Å; L550-F602 HydrophobicContact CD2-CZ 4.39Å; L550-F602 HydrophobicContact CG-CD1 3.59Å; L550-F602 HydrophobicContact CG-CE1 3.7Å; L550-F602 HydrophobicContact CG-CG 4.11Å; L550-F602 HydrophobicContact CG-CZ 4.31Å; P551-F602 HydrophobicContact CB-CZ 4.16Å; P551-F602 HydrophobicContact CG-CZ 3.86Å; D554-F602 HydrophobicContact CB-CE1 4.2Å; L587-F602 HydrophobicContact CD1-CB 3.94Å; I598-F602 HydrophobicContact CD1-CE2 4.07Å; I598-F602 HydrophobicContact CG1-CD2 3.61Å; I598-F602 HydrophobicContact CG1-CE2 3.58Å; I598-F602 WeakPolarHBondContact O-CB 3.4Å; I598-F602 WeakPolarHBondContact O-CD2 3.38Å; I598-F602 PolarHBondContact O-N 3.45Å; F599-F602 PolarHBondContact O-N 3.04Å; F602-K604 VanDerWaalsContact C-N 3.34Å; F602-K604 PolarHBondContact O-N 2.59Å; F602-R605 VanDerWaalsContact CE2-NH2 3.3Å; F602-R605 PolarHBondContact O-N 3.08Å; F602-W606 AromaticContact CD1-CE2 3.65Å; F602-W606 HydrophobicContact CD1-CH2 4.29Å; F602-W606 AromaticContact CD1-CZ2 3.54Å; F602-W606 HydrophobicContact CD1-CZ2 3.54Å; F602-W606 AromaticContact CD1-NE1 3.74Å; F602-W606 HydrophobicContact CE1-CZ2 4.07Å; F602-W606 VanDerWaalsContact O-CB 3.25Å; F602-W606 WeakPolarHBondContact O-CB 3.44Å; F602-W606 VanDerWaalsContact O-CG 3.24Å; F602-W606 PolarHBondContact O-N 3.03Å
603	V	98.8	Very high	98.4	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.067	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-46.8	174.2	167.6	0	0	0	0	111	I584 L587 Q588 F599 K607	I584-V603 HydrophobicContact CG2-CG1 4.28Å; L587-V603 HydrophobicContact CB-CG2 3.49Å; L587-V603 VanDerWaalsContact CB-CG2 3.49Å; Q588-V603 HydrophobicContact CB-CG1 4.45Å; Q588-V603 HydrophobicContact CB-CG2 4.28Å; F599-V603 WeakPolarHBondContact O-CB 3.46Å; F599-V603 WeakPolarHBondContact O-CG2 3.31Å; F599-V603 PolarHBondContact O-N 3.24Å; V603-K607 HydrophobicContact CG1-CD 3.98Å; V603-K607 HydrophobicContact CG1-CG 4.48Å; V603-K607 VanDerWaalsContact O-CB 3.3Å; V603-K607 WeakPolarHBondContact O-CB 3.18Å; V603-K607 VanDerWaalsContact O-CG 3.24Å; V603-K607 WeakPolarHBondContact O-CG 3.28Å; V603-K607 PolarHBondContact O-N 3.02Å
604	K	98.7	Very high	98.4	Very high	170 Å²	170	65.7 Å²	65.7	74%	0.739	32%	0.316	S	S	*	.	H	α-helix	trans	-61	-47.5	178.7	-178.2	179	178.5	-179.7	0	111.3	K600 E601 F602 S608	K600-K604 WeakPolarHBondContact O-CB 3.35Å; K600-K604 PolarHBondContact O-N 3.36Å; E601-K604 PolarHBondContact O-N 2.71Å; F602-K604 VanDerWaalsContact C-N 3.34Å; F602-K604 PolarHBondContact O-N 2.59Å; K604-S608 PolarHBondContact O-N 3.39Å
605	R	98.8	Very high	98.5	Very high	73 Å²	73	66.8 Å²	66.8	28%	0.275	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-48.6	-179.3	-175.2	169.6	62.2	-105.9	-1.6	111.6	D554 E601 F602 K607 S608 Y609	D554-R605 IonicContact OD2-CZ 2.7Å; D554-R605 VanDerWaalsContact OD2-CZ 3.23Å; D554-R605 IonicContact OD2-NE 3.58Å; D554-R605 PolarHBondContact OD2-NE 3.36Å; D554-R605 IonicContact OD2-NH2 3.29Å; D554-R605 PolarHBondContact OD2-NH2 3.05Å; E601-R605 WeakPolarHBondContact O-CB 3.27Å; E601-R605 PolarHBondContact O-N 2.9Å; F602-R605 VanDerWaalsContact CE2-NH2 3.3Å; F602-R605 PolarHBondContact O-N 3.08Å; R605-K607 VanDerWaalsContact C-N 3.34Å; R605-K607 PolarHBondContact O-N 3.39Å; R605-S608 WeakPolarHBondContact O-CB 3.37Å; R605-S608 PolarHBondContact O-N 3.22Å; R605-S608 PolarHBondContact O-OG 3.23Å; R605-Y609 VanDerWaalsContact CD-OH 3.29Å; R605-Y609 WeakPolarHBondContact CD-OH 3.48Å; R605-Y609 HydrophobicContact CG-CE1 3.73Å; R605-Y609 HydrophobicContact CG-CE2 4.44Å; R605-Y609 WeakPolarHBondContact CG-OH 3.47Å; R605-Y609 PolarHBondContact NE-OH 2.81Å; R605-Y609 WeakPolarHBondContact O-CD1 3.36Å; R605-Y609 PolarHBondContact O-N 3.3Å
606	W	98.8	Very high	98.5	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-35.6	-179.9	-68.6	2.4	0	0	0	112.6	L510 L550 D554 T559 H580 H583 I584 L587 F602 S608 Y609	L510-W606 HydrophobicContact CD2-CH2 4.06Å; L550-W606 HydrophobicContact CD1-CH2 3.74Å; L550-W606 HydrophobicContact CD1-CZ2 4.44Å; L550-W606 HydrophobicContact CD1-CZ3 4.48Å; L550-W606 HydrophobicContact CG-CH2 4.17Å; L550-W606 HydrophobicContact CG-CZ2 4.42Å; D554-W606 HydrophobicContact CB-CZ2 4.41Å; D554-W606 VanDerWaalsContact CG-NE1 3.3Å; D554-W606 PolarHBondContact OD2-NE1 3.07Å; T559-W606 HydrophobicContact CG2-CD2 3.58Å; T559-W606 HydrophobicContact CG2-CE3 3.81Å; T559-W606 HydrophobicContact CG2-CG 4.27Å; T559-W606 HydrophobicContact CG2-CH2 3.66Å; T559-W606 HydrophobicContact CG2-CZ2 3.41Å; T559-W606 VanDerWaalsContact CG2-CZ2 3.41Å; T559-W606 HydrophobicContact CG2-CZ3 3.86Å; H580-W606 AromaticContact CE1-CG 3.83Å; H580-W606 PolarHBondContact NE2-O 3.13Å; H580-W606 VanDerWaalsContact NE2-O 3.11Å; H583-W606 HydrophobicContact CB-CE3 4.14Å; H583-W606 HydrophobicContact CB-CZ3 3.68Å; I584-W606 HydrophobicContact CD1-CB 3.97Å; I584-W606 HydrophobicContact CG1-CB 3.68Å; I584-W606 HydrophobicContact CG1-CE3 4.3Å; L587-W606 HydrophobicContact CD1-CD2 4.5Å; L587-W606 HydrophobicContact CD1-CE3 3.64Å; L587-W606 HydrophobicContact CD1-CH2 3.88Å; L587-W606 HydrophobicContact CD1-CZ3 3.25Å; L587-W606 HydrophobicContact CG-CZ3 4.12Å; F602-W606 AromaticContact CD1-CE2 3.65Å; F602-W606 HydrophobicContact CD1-CH2 4.29Å; F602-W606 AromaticContact CD1-CZ2 3.54Å; F602-W606 HydrophobicContact CD1-CZ2 3.54Å; F602-W606 AromaticContact CD1-NE1 3.74Å; F602-W606 HydrophobicContact CE1-CZ2 4.07Å; F602-W606 VanDerWaalsContact O-CB 3.25Å; F602-W606 WeakPolarHBondContact O-CB 3.44Å; F602-W606 VanDerWaalsContact O-CG 3.24Å; F602-W606 PolarHBondContact O-N 3.03Å; W606-S608 PolarHBondContact O-N 3.17Å; W606-Y609 HydrophobicContact CB-CD2 4.45Å; W606-Y609 AromaticContact CD1-CD2 3.9Å; W606-Y609 AromaticContact CD1-CE2 3.41Å; W606-Y609 VanDerWaalsContact CD1-CE2 3.41Å; W606-Y609 HydrophobicContact CG-CD2 4.41Å; W606-Y609 HydrophobicContact CG-CE2 4.31Å; W606-Y609 WeakPolarHBondContact O-CB 3.31Å; W606-Y609 PolarHBondContact O-N 3.09Å; W606-Y609 VanDerWaalsContact O-N 3.14Å
607	K	98.8	Very high	98.4	Very high	82 Å²	82	77.2 Å²	77.2	36%	0.357	37%	0.371	S	S	.	.	H	α-helix	trans	-57.4	-35	169.8	-81.8	176.2	174.2	176.4	0	112.9	V161 I584 Q588 V603 R605 Y609 L610	V161-K607 HydrophobicContact CG2-CG 4.26Å; I584-K607 HydrophobicContact CD1-CG 4.47Å; I584-K607 HydrophobicContact CG2-CG 3.91Å; Q588-K607 VanDerWaalsContact OE1-CE 3.26Å; V603-K607 HydrophobicContact CG1-CD 3.98Å; V603-K607 HydrophobicContact CG1-CG 4.48Å; V603-K607 VanDerWaalsContact O-CB 3.3Å; V603-K607 WeakPolarHBondContact O-CB 3.18Å; V603-K607 VanDerWaalsContact O-CG 3.24Å; V603-K607 WeakPolarHBondContact O-CG 3.28Å; V603-K607 PolarHBondContact O-N 3.02Å; R605-K607 VanDerWaalsContact C-N 3.34Å; R605-K607 PolarHBondContact O-N 3.39Å; K607-Y609 VanDerWaalsContact C-N 3.31Å; K607-L610 PolarHBondContact O-N 2.9Å
608	S	98.8	Very high	98	Very high	37 Å²	37	83.3 Å²	83.3	26%	0.259	40%	0.399	S	S	.	.	H	α-helix	trans	-69.9	-29.4	179.6	80.4	0	0	0	0	112.8	K604 R605 W606 L610 K611 S613	K604-S608 PolarHBondContact O-N 3.39Å; R605-S608 WeakPolarHBondContact O-CB 3.37Å; R605-S608 PolarHBondContact O-N 3.22Å; R605-S608 PolarHBondContact O-OG 3.23Å; W606-S608 PolarHBondContact O-N 3.17Å; S608-L610 VanDerWaalsContact C-N 3.27Å; S608-L610 PolarHBondContact O-N 2.92Å; S608-K611 CarbonylContact O-C 3.56Å; S608-K611 PolarHBondContact O-N 3.34Å; S608-S613 VanDerWaalsContact O-CB 3.3Å; S608-S613 WeakPolarHBondContact O-CB 3.02Å; S608-S613 PolarHBondContact O-N 2.76Å; S608-S613 PolarHBondContact O-OG 3.24Å; S608-S613 WeakPolarHBondContact OG-CB 3.29Å
609	Y	98.8	Very high	98	Very high	2 Å²	2	85.6 Å²	85.6	1%	0.008	41%	0.409	C	S	.	.	H	α-helix	trans	-63.7	-32.7	178.7	-58.7	-17.8	0	0	0	112.1	H156 D554 G556 H580 R605 W606 K607 K611 G612 S613	H156-Y609 PolarHBondContact CD2-O 2.91Å; D554-Y609 WeakPolarHBondContact OD1-CE2 3.47Å; D554-Y609 PolarHBondContact OD1-OH 2.97Å; D554-Y609 PolarHBondContact OD2-OH 3.14Å; G556-Y609 VanDerWaalsContact C-CZ 3.48Å; G556-Y609 WeakPolarHBondContact CA-OH 3.29Å; G556-Y609 WeakPolarHBondContact O-CE1 3.08Å; H580-Y609 AromaticContact CE1-CD2 3.88Å; R605-Y609 VanDerWaalsContact CD-OH 3.29Å; R605-Y609 WeakPolarHBondContact CD-OH 3.48Å; R605-Y609 HydrophobicContact CG-CE1 3.73Å; R605-Y609 HydrophobicContact CG-CE2 4.44Å; R605-Y609 WeakPolarHBondContact CG-OH 3.47Å; R605-Y609 PolarHBondContact NE-OH 2.81Å; R605-Y609 WeakPolarHBondContact O-CD1 3.36Å; R605-Y609 PolarHBondContact O-N 3.3Å; W606-Y609 HydrophobicContact CB-CD2 4.45Å; W606-Y609 AromaticContact CD1-CD2 3.9Å; W606-Y609 AromaticContact CD1-CE2 3.41Å; W606-Y609 VanDerWaalsContact CD1-CE2 3.41Å; W606-Y609 HydrophobicContact CG-CD2 4.41Å; W606-Y609 HydrophobicContact CG-CE2 4.31Å; W606-Y609 WeakPolarHBondContact O-CB 3.31Å; W606-Y609 PolarHBondContact O-N 3.09Å; W606-Y609 VanDerWaalsContact O-N 3.14Å; K607-Y609 VanDerWaalsContact C-N 3.31Å; Y609-K611 PolarHBondContact O-N 3.24Å; Y609-G612 PolarHBondContact O-N 2.94Å; Y609-S613 VanDerWaalsContact CD1-O 3.28Å; Y609-S613 WeakPolarHBondContact CD1-O 3.37Å
610	L	98.4	Very high	97.9	Very high	23 Å²	23	90.1 Å²	90.1	12%	0.12	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.7	173.1	-61.7	171.6	0	0	0	113.8	S157 V161 W577 T581 I584 K607 S608	S157-L610 VanDerWaalsContact OG-CD2 3.31Å; S157-L610 WeakPolarHBondContact OG-CD2 3.33Å; S157-L610 PolarHBondContact OG-O 2.99Å; V161-L610 HydrophobicContact CG2-CD1 3.47Å; V161-L610 VanDerWaalsContact CG2-CD1 3.47Å; W577-L610 HydrophobicContact CE3-CD2 3.89Å; W577-L610 HydrophobicContact CZ3-CD2 4.21Å; T581-L610 HydrophobicContact CG2-CD1 4.13Å; T581-L610 HydrophobicContact CG2-CD2 3.83Å; I584-L610 HydrophobicContact CD1-CD1 3.95Å; I584-L610 HydrophobicContact CD1-CG 4.36Å; K607-L610 PolarHBondContact O-N 2.9Å; S608-L610 VanDerWaalsContact C-N 3.27Å; S608-L610 PolarHBondContact O-N 2.92Å
611	K	98.3	Very high	97.9	Very high	181 Å²	181	89.3 Å²	89.3	79%	0.787	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	20.6	177	-62.5	-174.2	176.6	-176.4	0	112.3	S608 Y609 S613	S608-K611 CarbonylContact O-C 3.56Å; S608-K611 PolarHBondContact O-N 3.34Å; Y609-K611 PolarHBondContact O-N 3.24Å; K611-S613 VanDerWaalsContact C-N 3.27Å; K611-S613 PolarHBondContact O-N 2.82Å
612	G	98	Very high	97.9	Very high	17 Å²	17	88 Å²	88	18%	0.175	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	9.6	175.8	0	0	0	0	0	115.2	H156 Y609 R614	H156-G612 PolarHBondContact CD2-N 2.87Å; Y609-G612 PolarHBondContact O-N 2.94Å; G612-R614 PolarHBondContact O-NH1 2.86Å
613	S	98.5	Very high	97.8	Very high	57 Å²	57	92.7 Å²	92.7	40%	0.399	45%	0.447	S	S	.	.			trans	-67.4	152.1	170	-59.1	0	0	0	0	110.2	S608 Y609 K611	S608-S613 VanDerWaalsContact O-CB 3.3Å; S608-S613 WeakPolarHBondContact O-CB 3.02Å; S608-S613 PolarHBondContact O-N 2.76Å; S608-S613 PolarHBondContact O-OG 3.24Å; S608-S613 WeakPolarHBondContact OG-CB 3.29Å; Y609-S613 VanDerWaalsContact CD1-O 3.28Å; Y609-S613 WeakPolarHBondContact CD1-O 3.37Å; K611-S613 VanDerWaalsContact C-N 3.27Å; K611-S613 PolarHBondContact O-N 2.82Å
614	R	98.6	Very high	97.8	Very high	188 Å²	188	98.1 Å²	98.1	71%	0.709	47%	0.472	S	S	*	.			trans	-131.4	154.1	179.9	-64.7	174.8	-75.9	-88.2	1.8	109.6	G556 G612	G556-R614 CarbonylContact O-C 3.13Å; G556-R614 VanDerWaalsContact O-CA 3.24Å; G556-R614 WeakPolarHBondContact O-CA 3.41Å; G612-R614 PolarHBondContact O-NH1 2.86Å
615	A	98.2	Very high	97.7	Very high	51 Å²	51	93 Å²	93	42%	0.421	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-57.7	146	162.4	0	0	0	0	0	109.3	G556 H617	G556-A615 PolarHBondContact O-N 2.89Å; A615-H617 PolarHBondContact O-N 3.06Å
616	K	97.6	Very high	97.6	Very high	207 Å²	207	94.5 Å²	94.5	90%	0.9	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-62.4	135.9	175.9	-66.7	-176.9	177.9	-177.2	0	109.1
617	H	96.1	Very high	97.5	Very high	171 Å²	171	102.4 Å²	102.4	79%	0.792	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-75.3	168.7	161.7	63.8	74.3	0	0	0	109.7	A615	A615-H617 PolarHBondContact O-N 3.06Å
618	N	90.4	Very high	97.4	Very high	213 Å²	213	104.3 Å²	104.3	100%	1.139	52%	0.519	S	S	*	.			trans	-67.7	0	178.4	63.4	-49.9	0	0	0	113.5

Retrieved 618 of 618 residues in 1055 ms (Link to these results)

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