A0A087YN44_POEFO Loading...

Beta-1,4-galactosyltransferase

Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids.

AlphaFold DB , UniProt , Accession A0A087YN44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.4	Low	52.7	Low	240 Å²	240	125.8 Å²	125.8	100%	1.182	68%	0.675	S	S	*	*				0	55.6	0	-157.9	173.9	80.2	0	0	111.5
2	I	52.7	Low	53	Low	148 Å²	148	129.1 Å²	129.1	76%	0.759	67%	0.671	S	S	*	*			trans	-132.8	-15.3	-176.5	-60.1	178.4	0	0	0	113	T5	I2-T5 PolarHBondContact O-OG1 3.36Å
3	M	45.9	Very low	53.7	Low	165 Å²	165	133.1 Å²	133.1	81%	0.813	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-16.4	-178.4	-94	-101.6	152.9	0	0	115.4
4	C	51.6	Low	54.2	Low	96 Å²	96	129.2 Å²	129.2	65%	0.649	66%	0.662	S	S	*	*	H	α-helix	trans	-89.1	-10.5	-171.7	-149.5	0	0	0	0	114.5
5	T	54.1	Low	54.9	Low	104 Å²	104	130 Å²	130	64%	0.638	66%	0.659	S	S	*	*	H	α-helix	trans	-93.3	-26.3	-178.8	47.2	0	0	0	0	113.4	I2 K9	I2-T5 PolarHBondContact O-OG1 3.36Å; T5-K9 PolarHBondContact O-N 3.18Å
6	A	52.5	Low	55.9	Low	58 Å²	58	129.8 Å²	129.8	48%	0.479	65%	0.648	S	S	.	*	H	α-helix	trans	-70.7	-41.9	179.5	0	0	0	0	0	112.7	K8 K9 V10	A6-K8 PolarHBondContact O-N 2.98Å; A6-K9 PolarHBondContact O-N 3.11Å; A6-K9 VanDerWaalsContact O-N 3.15Å; A6-V10 WeakPolarHBondContact O-CG2 3.25Å; A6-V10 PolarHBondContact O-N 3.08Å
7	I	52.6	Low	57	Low	123 Å²	123	125.7 Å²	125.7	63%	0.631	64%	0.64	S	S	*	*	H	α-helix	trans	-66	-37.8	-176.7	-59.9	173.3	0	0	0	111.5	K9 S11	I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.05Å; I7-S11 WeakPolarHBondContact O-CB 3.45Å; I7-S11 PolarHBondContact O-N 2.89Å; I7-S11 VanDerWaalsContact O-N 3.09Å
8	K	50.3	Low	58.1	Low	154 Å²	154	123.9 Å²	123.9	67%	0.67	64%	0.636	S	S	*	*	H	α-helix	trans	-69.1	-30.3	175.4	-71.5	-176	178.9	179.3	0	112.8	A6 R12	A6-K8 PolarHBondContact O-N 2.98Å; K8-R12 PolarHBondContact O-N 2.87Å
9	K	52.6	Low	58.9	Low	142 Å²	142	122.6 Å²	122.6	62%	0.617	63%	0.63	S	S	*	*	H	α-helix	trans	-76.7	-37.2	179.3	-152	173.7	-174.2	178.7	0	111.8	T5 A6 I7 R13	T5-K9 PolarHBondContact O-N 3.18Å; A6-K9 PolarHBondContact O-N 3.11Å; A6-K9 VanDerWaalsContact O-N 3.15Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.05Å; K9-R13 WeakPolarHBondContact O-CG 3.3Å; K9-R13 PolarHBondContact O-N 2.99Å
10	V	56.2	Low	59.9	Low	93 Å²	93	121.5 Å²	121.5	56%	0.564	62%	0.624	S	S	*	*	H	α-helix	trans	-67.3	-41.3	173.2	175.3	0	0	0	0	111	A6 R12 R13 C14	A6-V10 WeakPolarHBondContact O-CG2 3.25Å; A6-V10 PolarHBondContact O-N 3.08Å; V10-R12 PolarHBondContact O-N 2.74Å; V10-R13 PolarHBondContact O-N 2.7Å; V10-C14 PolarHBondContact O-N 3.09Å; V10-C14 VanDerWaalsContact O-N 3.1Å
11	S	57.5	Low	60.9	Low	61 Å²	61	117.5 Å²	117.5	43%	0.427	61%	0.613	S	S	.	*	H	α-helix	trans	-63.3	-38.1	177.2	-176.1	0	0	0	0	113.5	I7 K15	I7-S11 WeakPolarHBondContact O-CB 3.45Å; I7-S11 PolarHBondContact O-N 2.89Å; I7-S11 VanDerWaalsContact O-N 3.09Å; S11-K15 WeakPolarHBondContact O-CG 3.5Å; S11-K15 PolarHBondContact O-N 2.87Å
12	R	56.4	Low	62	Low	165 Å²	165	111 Å²	111	62%	0.623	58%	0.582	S	S	*	*	H	α-helix	trans	-67.6	-42.5	173.8	-86	177.6	89.9	178.5	4.8	112	K8 V10 C14 K15 Y16	K8-R12 PolarHBondContact O-N 2.87Å; V10-R12 PolarHBondContact O-N 2.74Å; R12-C14 PolarHBondContact O-N 3Å; R12-K15 PolarHBondContact O-N 3.5Å; R12-Y16 HydrophobicContact CB-CE2 4.34Å; R12-Y16 WeakPolarHBondContact O-CD2 3.04Å; R12-Y16 PolarHBondContact O-N 3.4Å
13	R	61.9	Low	63	Low	181 Å²	181	109.2 Å²	109.2	68%	0.683	57%	0.574	S	S	*	*	H	α-helix	trans	-63.5	-38.7	-179.9	-74.4	-177.3	174.5	-174.3	-3.2	112.7	K9 V10 Y16 A17	K9-R13 WeakPolarHBondContact O-CG 3.3Å; K9-R13 PolarHBondContact O-N 2.99Å; V10-R13 PolarHBondContact O-N 2.7Å; R13-Y16 PolarHBondContact O-N 3.3Å; R13-A17 PolarHBondContact O-N 3.03Å
14	C	61.9	Low	64.6	Low	79 Å²	79	106.5 Å²	106.5	53%	0.534	56%	0.562	S	S	.	*	H	α-helix	trans	-64.4	-38.3	173.4	-76.1	0	0	0	0	112.9	V10 R12 A17 V18	V10-C14 PolarHBondContact O-N 3.09Å; V10-C14 VanDerWaalsContact O-N 3.1Å; R12-C14 PolarHBondContact O-N 3Å; C14-A17 PolarHBondContact O-N 3.14Å; C14-V18 WeakPolarHBondContact O-CG2 3.08Å; C14-V18 PolarHBondContact O-N 3.36Å; C14-V18 VanDerWaalsContact O-N 3.08Å
15	K	64.1	Low	65.7	Low	141 Å²	141	105 Å²	105	61%	0.613	55%	0.552	S	S	*	*	H	α-helix	trans	-66	-38.3	178	-71.5	178.6	-178.7	-174.6	0	112.7	S11 R12 L19	S11-K15 WeakPolarHBondContact O-CG 3.5Å; S11-K15 PolarHBondContact O-N 2.87Å; R12-K15 PolarHBondContact O-N 3.5Å; K15-L19 PolarHBondContact O-N 3.24Å; K15-L19 VanDerWaalsContact O-N 3.17Å
16	Y	71.4	Confident	66.6	Low	126 Å²	126	103.5 Å²	103.5	49%	0.494	54%	0.543	S	S	.	.	H	α-helix	trans	-70.5	-36.6	174.9	-70.6	-70.2	0	0	0	112.3	R12 R13 V18 L19 I20	R12-Y16 HydrophobicContact CB-CE2 4.34Å; R12-Y16 WeakPolarHBondContact O-CD2 3.04Å; R12-Y16 PolarHBondContact O-N 3.4Å; R13-Y16 PolarHBondContact O-N 3.3Å; Y16-V18 VanDerWaalsContact C-N 3.35Å; Y16-V18 PolarHBondContact O-N 2.86Å; Y16-L19 PolarHBondContact O-N 2.04Å; Y16-I20 WeakPolarHBondContact O-CB 3.44Å; Y16-I20 VanDerWaalsContact O-CG1 3.24Å; Y16-I20 WeakPolarHBondContact O-CG1 3.1Å; Y16-I20 PolarHBondContact O-N 3.24Å
17	A	74.8	Confident	67.5	Low	61 Å²	61	105.9 Å²	105.9	50%	0.504	55%	0.547	S	S	.	.	H	α-helix	trans	-63	-40	175.4	0	0	0	0	0	112.3	R13 C14 I20 G21	R13-A17 PolarHBondContact O-N 3.03Å; C14-A17 PolarHBondContact O-N 3.14Å; A17-I20 PolarHBondContact O-N 2.57Å; A17-G21 PolarHBondContact O-N 3.38Å
18	V	76.4	Confident	68.4	Low	93 Å²	93	102.7 Å²	102.7	56%	0.564	54%	0.539	S	S	*	.	H	α-helix	trans	-65.9	-41.9	175.3	173.5	0	0	0	0	111.6	C14 Y16 G21 L22	C14-V18 WeakPolarHBondContact O-CG2 3.08Å; C14-V18 PolarHBondContact O-N 3.36Å; C14-V18 VanDerWaalsContact O-N 3.08Å; Y16-V18 VanDerWaalsContact C-N 3.35Å; Y16-V18 PolarHBondContact O-N 2.86Å; V18-G21 PolarHBondContact O-N 3.39Å; V18-L22 HydrophobicContact CG1-CD1 4.22Å; V18-L22 WeakPolarHBondContact O-CG 3.4Å; V18-L22 PolarHBondContact O-N 3.43Å
19	L	72.8	Confident	69.2	Low	99 Å²	99	103.6 Å²	103.6	52%	0.518	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-40.2	176.2	-83.2	160.7	0	0	0	112.5	K15 Y16 L22 L23	K15-L19 PolarHBondContact O-N 3.24Å; K15-L19 VanDerWaalsContact O-N 3.17Å; Y16-L19 PolarHBondContact O-N 2.04Å; L19-L22 PolarHBondContact O-N 3.31Å; L19-L23 PolarHBondContact O-N 2.93Å
20	I	78.4	Confident	69.7	Low	100 Å²	100	103.9 Å²	103.9	51%	0.513	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-41.2	175.8	-68.3	165.7	0	0	0	110.5	Y16 A17 L22 L23 L24	Y16-I20 WeakPolarHBondContact O-CB 3.44Å; Y16-I20 VanDerWaalsContact O-CG1 3.24Å; Y16-I20 WeakPolarHBondContact O-CG1 3.1Å; Y16-I20 PolarHBondContact O-N 3.24Å; A17-I20 PolarHBondContact O-N 2.57Å; I20-L22 PolarHBondContact O-N 3.07Å; I20-L23 PolarHBondContact O-N 3.18Å; I20-L24 HydrophobicContact CG2-CD1 3.91Å; I20-L24 HydrophobicContact CG2-CG 4.35Å; I20-L24 WeakPolarHBondContact O-CG 3.23Å; I20-L24 PolarHBondContact O-N 3.11Å
21	G	80.9	Confident	70	Confident	38 Å²	38	102.6 Å²	102.6	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-60.3	-41.3	174.9	0	0	0	0	0	113.4	A17 V18 L24 S25	A17-G21 PolarHBondContact O-N 3.38Å; V18-G21 PolarHBondContact O-N 3.39Å; G21-L24 PolarHBondContact O-N 2.92Å; G21-S25 PolarHBondContact O-N 3.28Å; G21-S25 PolarHBondContact O-OG 3.08Å
22	L	76.1	Confident	70	Confident	103 Å²	103	104.4 Å²	104.4	54%	0.539	55%	0.552	S	S	.	*	H	α-helix	trans	-69.2	-34.6	176.1	-72.6	168.6	0	0	0	112.9	V18 L19 I20 S25 V26	V18-L22 HydrophobicContact CG1-CD1 4.22Å; V18-L22 WeakPolarHBondContact O-CG 3.4Å; V18-L22 PolarHBondContact O-N 3.43Å; L19-L22 PolarHBondContact O-N 3.31Å; I20-L22 PolarHBondContact O-N 3.07Å; L22-S25 PolarHBondContact O-OG 3.03Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 2.82Å
23	L	75.4	Confident	69.9	Low	112 Å²	112	104.3 Å²	104.3	59%	0.586	56%	0.556	S	S	*	*	H	α-helix	trans	-68.6	-41.7	174.5	-99	145.9	0	0	0	111.7	L19 I20 V26 L27	L19-L23 PolarHBondContact O-N 2.93Å; I20-L23 PolarHBondContact O-N 3.18Å; L23-V26 PolarHBondContact O-N 3.07Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.26Å
24	L	79.7	Confident	69.2	Low	107 Å²	107	101.3 Å²	101.3	56%	0.56	56%	0.558	S	S	*	*	H	α-helix	trans	-67.3	-34.9	177.7	-69.4	172.9	0	0	0	112.2	I20 G21 L27 A28	I20-L24 HydrophobicContact CG2-CD1 3.91Å; I20-L24 HydrophobicContact CG2-CG 4.35Å; I20-L24 WeakPolarHBondContact O-CG 3.23Å; I20-L24 PolarHBondContact O-N 3.11Å; G21-L24 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 3.49Å; L24-A28 WeakPolarHBondContact O-CB 3.39Å; L24-A28 PolarHBondContact O-N 2.84Å
25	S	72.9	Confident	68.1	Low	64 Å²	64	100.7 Å²	100.7	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-69.2	-35.6	175.5	66.9	0	0	0	0	112.9	G21 L22 A28 W29	G21-S25 PolarHBondContact O-N 3.28Å; G21-S25 PolarHBondContact O-OG 3.08Å; L22-S25 PolarHBondContact O-OG 3.03Å; S25-A28 PolarHBondContact O-N 3.5Å; S25-W29 WeakPolarHBondContact O-CB 3.49Å; S25-W29 PolarHBondContact O-N 2.98Å
26	V	73.8	Confident	66.8	Low	74 Å²	74	100.6 Å²	100.6	45%	0.448	57%	0.571	S	S	.	*	H	α-helix	trans	-68.5	-37.5	173.8	172.5	0	0	0	0	111.6	L22 L23 W29 K30	L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 2.82Å; L23-V26 PolarHBondContact O-N 3.07Å; V26-W29 PolarHBondContact O-N 3.23Å; V26-K30 PolarHBondContact O-N 3.45Å
27	L	72.1	Confident	65.1	Low	107 Å²	107	105.1 Å²	105.1	56%	0.56	59%	0.587	S	S	*	*	H	α-helix	trans	-68.6	-40.7	175	-70.1	172.6	0	0	0	111.9	L23 L24 W29 K30 A31	L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.26Å; L24-L27 PolarHBondContact O-N 3.49Å; L27-W29 VanDerWaalsContact C-N 3.33Å; L27-W29 PolarHBondContact O-N 3.04Å; L27-K30 PolarHBondContact O-N 3.16Å; L27-A31 PolarHBondContact O-N 3.08Å
28	A	70.3	Confident	63.2	Low	57 Å²	57	110 Å²	110	47%	0.471	61%	0.605	S	S	.	*	H	α-helix	trans	-62.3	-40.3	172.7	0	0	0	0	0	111.7	L24 S25 A31 S32	L24-A28 WeakPolarHBondContact O-CB 3.39Å; L24-A28 PolarHBondContact O-N 2.84Å; S25-A28 PolarHBondContact O-N 3.5Å; A28-A31 PolarHBondContact O-N 2.99Å; A28-S32 PolarHBondContact O-N 3.3Å; A28-S32 PolarHBondContact O-OG 2.87Å
29	W	67.2	Low	61.1	Low	173 Å²	173	109.4 Å²	109.4	66%	0.655	62%	0.617	S	S	*	*	H	α-helix	trans	-65.1	-38.7	176.4	-175.8	44.9	0	0	0	113	S25 V26 L27 S32 F33	S25-W29 WeakPolarHBondContact O-CB 3.49Å; S25-W29 PolarHBondContact O-N 2.98Å; V26-W29 PolarHBondContact O-N 3.23Å; L27-W29 VanDerWaalsContact C-N 3.33Å; L27-W29 PolarHBondContact O-N 3.04Å; W29-S32 PolarHBondContact O-N 3.3Å; W29-F33 AromaticContact NE1-CD2 3.89Å; W29-F33 AromaticContact NE1-CE2 3.68Å
30	K	63.1	Low	59	Low	148 Å²	148	110.6 Å²	110.6	64%	0.643	63%	0.629	S	S	*	*	H	α-helix	trans	-67.8	-37	173	-78.3	-167.7	173.8	-171.5	0	112.6	V26 L27 S32 F33 T34	V26-K30 PolarHBondContact O-N 3.45Å; L27-K30 PolarHBondContact O-N 3.16Å; K30-S32 VanDerWaalsContact C-N 3.32Å; K30-S32 PolarHBondContact O-N 2.98Å; K30-F33 PolarHBondContact O-N 2.79Å; K30-T34 PolarHBondContact O-OG1 3.31Å
31	A	63.4	Low	56.7	Low	66 Å²	66	112.5 Å²	112.5	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-64.8	-36.3	175.1	0	0	0	0	0	111.7	L27 A28 F33 T34	L27-A31 PolarHBondContact O-N 3.08Å; A28-A31 PolarHBondContact O-N 2.99Å; A31-F33 PolarHBondContact O-N 3.2Å; A31-T34 PolarHBondContact O-N 2.97Å; A31-T34 PolarHBondContact O-OG1 3.44Å
32	S	56.3	Low	54.2	Low	99 Å²	99	118.4 Å²	118.4	69%	0.692	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-12.4	175.7	-60.9	0	0	0	0	115.1	A28 W29 K30	A28-S32 PolarHBondContact O-N 3.3Å; A28-S32 PolarHBondContact O-OG 2.87Å; W29-S32 PolarHBondContact O-N 3.3Å; K30-S32 VanDerWaalsContact C-N 3.32Å; K30-S32 PolarHBondContact O-N 2.98Å
33	F	54.8	Low	51.9	Low	162 Å²	162	121.3 Å²	121.3	71%	0.711	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	11.5	179.7	-94	-84.4	0	0	0	113.8	W29 K30 A31	W29-F33 AromaticContact NE1-CD2 3.89Å; W29-F33 AromaticContact NE1-CE2 3.68Å; K30-F33 PolarHBondContact O-N 2.79Å; A31-F33 PolarHBondContact O-N 3.2Å
34	T	47.1	Very low	49.6	Very low	119 Å²	119	123.1 Å²	123.1	73%	0.73	68%	0.682	S	S	*	*			trans	-119.5	66.5	174.1	47.7	0	0	0	0	109.7	K30 A31	K30-T34 PolarHBondContact O-OG1 3.31Å; A31-T34 PolarHBondContact O-N 2.97Å; A31-T34 PolarHBondContact O-OG1 3.44Å
35	G	38.6	Very low	47	Very low	65 Å²	65	127.5 Å²	127.5	67%	0.67	70%	0.697	S	S	*	*			trans	-152.8	111.4	175.1	0	0	0	0	0	110.9
36	D	37.2	Very low	44.8	Very low	140 Å²	140	129.7 Å²	129.7	75%	0.749	71%	0.707	S	S	*	*			trans	70.3	131.4	166.7	-72.1	-11	0	0	0	118.4
37	R	36.5	Very low	42.4	Very low	220 Å²	220	131.1 Å²	131.1	83%	0.83	72%	0.717	S	S	*	*			cis	-167	142.7	8.6	-120.3	162.4	-172.5	-170.3	-3.8	110.7
38	N	35.2	Very low	40.1	Very low	165 Å²	165	132.1 Å²	132.1	88%	0.882	73%	0.727	S	S	*	*			trans	-57.5	143.2	151.2	-90.1	-15.6	0	0	0	110.4
39	G	31.6	Very low	38	Very low	79 Å²	79	137.9 Å²	137.9	81%	0.814	75%	0.745	S	S	*	*			trans	-157	107	163.7	0	0	0	0	0	110
40	T	29.7	Very low	36	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	76%	0.755	S	S	*	*			trans	-104.1	137.5	174.5	5	0	0	0	0	110.1
41	I	29.7	Very low	34.4	Very low	140 Å²	140	135.2 Å²	135.2	72%	0.718	76%	0.762	S	S	*	*			trans	73	120.1	150.4	-53.1	167.1	0	0	0	118.5
42	D	26.7	Very low	32.8	Very low	163 Å²	163	139 Å²	139	87%	0.872	78%	0.778	S	S	*	*				-159.3	134.1	116.2	-106.2	-19.6	0	0	0	113.3
43	E	28.3	Very low	31.6	Very low	164 Å²	164	144 Å²	144	77%	0.766	79%	0.788	S	S	*	*			trans	-78.7	165.6	169.9	-77.7	179.6	137.8	0	0	111.5
44	N	27	Very low	30.3	Very low	150 Å²	150	145.4 Å²	145.4	80%	0.802	80%	0.796	S	S	*	*			trans	99.9	97	167.2	-55.3	-39.7	0	0	0	116.8
45	F	25	Very low	29.7	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.873	80%	0.799	S	S	*	*				-149.8	130.3	126.1	-159	-103.4	0	0	0	111.2
46	V	27.3	Very low	29.5	Very low	109 Å²	109	153 Å²	153	66%	0.661	81%	0.808	S	S	*	*			trans	-106.1	138.9	-173.4	153.7	0	0	0	0	108.8
47	T	23.2	Very low	29.3	Very low	105 Å²	105	153.9 Å²	153.9	64%	0.644	81%	0.812	S	S	*	*			trans	72.2	126	161.4	-42.1	0	0	0	0	115.8
48	T	24.5	Very low	29.3	Very low	128 Å²	128	148.6 Å²	148.6	79%	0.785	80%	0.804	S	S	*	*				-162.8	138.5	64.2	-44.4	0	0	0	0	111.9
49	Q	26.2	Very low	29.2	Very low	178 Å²	178	148.5 Å²	148.5	83%	0.832	80%	0.803	S	S	*	*			trans	-80.7	148.6	172.8	-65.6	170.4	-16.8	0	0	111.7
50	T	25.5	Very low	29.4	Very low	142 Å²	142	153 Å²	153	87%	0.871	80%	0.803	S	S	*	*			trans	-142.1	125.1	143.8	23.8	0	0	0	0	108.6
51	P	29.6	Very low	29.6	Very low	122 Å²	122	154.9 Å²	154.9	79%	0.792	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-96.8	139.4	-175.2	34.9	-30.1	0	0	0	112.4
52	V	28.4	Very low	29.8	Very low	146 Å²	146	155.8 Å²	155.8	89%	0.885	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-97.6	127.4	166.8	177	0	0	0	0	108.3
53	K	30.8	Very low	30.3	Very low	205 Å²	205	152.7 Å²	152.7	89%	0.891	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68.1	128.7	-179	-76.6	171.9	170.7	175.6	0	111.6
54	E	29.2	Very low	30.9	Very low	190 Å²	190	156 Å²	156	89%	0.888	81%	0.81	S	S	*	*			trans	-141.5	91.8	158	-158.7	156.8	-148.3	0	0	107.4
55	D	32.5	Very low	31.3	Very low	149 Å²	149	156.8 Å²	156.8	80%	0.797	81%	0.813	S	S	*	*			trans	-152.5	136.4	172.4	-128.4	-10.4	0	0	0	107.8
56	K	35.3	Very low	32	Very low	196 Å²	196	152.3 Å²	152.3	85%	0.852	81%	0.813	S	S	*	*	S	Bend	trans	98.3	69.3	-170.2	-60.2	-178.9	172.5	-170.5	0	116.2
57	L	33.6	Very low	32.5	Very low	158 Å²	158	155.7 Å²	155.7	83%	0.827	82%	0.822	S	S	*	*	S	Bend	trans	-163.5	41.9	135.4	-143	77.6	0	0	0	113.8
58	T	35.1	Very low	33.3	Very low	109 Å²	109	156.1 Å²	156.1	67%	0.669	83%	0.826	S	S	*	*	S	Bend	trans	-127.6	-0.9	178.3	18.7	0	0	0	0	114.4
59	D	34.7	Very low	34	Very low	162 Å²	162	155.3 Å²	155.3	87%	0.866	83%	0.825	S	S	*	*	S	Bend	trans	-102.8	5.6	-179.3	-76.7	-24.5	0	0	0	114.6
60	E	34.9	Very low	34.6	Very low	173 Å²	173	155.7 Å²	155.7	81%	0.808	83%	0.827	S	S	*	*	S	Bend	trans	-116.1	13.9	-175.7	-112.9	-178	168.8	0	0	115.6
61	L	33.2	Very low	35.3	Very low	164 Å²	164	153.2 Å²	153.2	86%	0.859	82%	0.815	S	S	*	*	S	Bend	trans	-125.1	9.5	177.9	-146.2	76.8	0	0	0	115.4
62	N	35.1	Very low	35.9	Very low	159 Å²	159	154.7 Å²	154.7	85%	0.85	82%	0.817	S	S	*	*	S	Bend	trans	-112.4	17.5	-178.3	-78.7	-21.5	0	0	0	114.9
63	S	37.3	Very low	36.7	Very low	99 Å²	99	153.7 Å²	153.7	69%	0.692	81%	0.811	S	S	*	*	S	Bend	trans	-120.4	13.9	-172.8	72.3	0	0	0	0	117.1
64	R	39.7	Very low	37.9	Very low	232 Å²	232	148.6 Å²	148.6	88%	0.875	80%	0.801	S	S	*	*			trans	-149.2	95.1	172.7	-63.6	-172.9	-165	-159.7	3.8	112.5
65	I	35.4	Very low	39.4	Very low	168 Å²	168	143.7 Å²	143.7	86%	0.862	79%	0.793	S	S	*	*			trans	-172.8	101.7	133.6	-81.9	142.6	0	0	0	104.5
66	A	41.1	Very low	41.7	Very low	105 Å²	105	145.5 Å²	145.5	87%	0.868	80%	0.797	S	S	*	*			trans	-114.3	110	165.1	0	0	0	0	0	105.9
67	E	36.7	Very low	44.1	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	78%	0.775	S	S	*	*			trans	-136.1	153.9	168	-90.5	-151.4	178.1	0	0	109.9
68	P	39.9	Very low	47.1	Very low	114 Å²	114	139.6 Å²	139.6	74%	0.74	77%	0.771	S	S	*	*			trans	-82.6	140.2	-145.5	10.3	2.2	0	0	0	113.5	H70	P68-H70 PolarHBondContact O-N 2.75Å; P68-H70 VanDerWaalsContact O-N 3.09Å
69	S	39.1	Very low	50	Low	110 Å²	110	140.1 Å²	140.1	77%	0.769	77%	0.766	S	S	*	*			trans	-67.5	98.9	173.1	55.3	0	0	0	0	111.6	S71	S69-S71 PolarHBondContact O-N 3.27Å
70	H	39.3	Very low	53.1	Low	186 Å²	186	132.5 Å²	132.5	86%	0.861	73%	0.725	S	S	*	*			trans	-83.7	86.9	150.7	-102.8	-60.1	0	0	0	108.3	P68 N72	P68-H70 PolarHBondContact O-N 2.75Å; P68-H70 VanDerWaalsContact O-N 3.09Å; H70-N72 VanDerWaalsContact C-N 3.34Å; H70-N72 PolarHBondContact O-N 3.17Å
71	S	40.8	Very low	56	Low	90 Å²	90	127.3 Å²	127.3	63%	0.629	71%	0.706	S	S	*	*			trans	-70	91	168.8	55.6	0	0	0	0	109.2	S69 V73	S69-S71 PolarHBondContact O-N 3.27Å; S71-V73 PolarHBondContact O-N 3.26Å
72	N	41.9	Very low	59	Low	154 Å²	154	127.6 Å²	127.6	82%	0.824	70%	0.703	S	S	*	*			trans	-70.5	90	151.3	-84.1	-12	0	0	0	106.2	H70 S74	H70-N72 VanDerWaalsContact C-N 3.34Å; H70-N72 PolarHBondContact O-N 3.17Å; N72-S74 PolarHBondContact O-N 3.38Å
73	V	44.4	Very low	61.9	Low	124 Å²	124	126.7 Å²	126.7	75%	0.752	69%	0.694	S	S	*	*			trans	-67.6	89.2	168.8	-176.3	0	0	0	0	106	S71 A75	S71-V73 PolarHBondContact O-N 3.26Å; V73-A75 PolarHBondContact O-N 3.2Å
74	S	56.6	Low	64.8	Low	99 Å²	99	122.5 Å²	122.5	69%	0.692	67%	0.665	S	S	*	*			trans	-56.3	119.7	156.1	55.9	0	0	0	0	105.3	N72 E76	N72-S74 PolarHBondContact O-N 3.38Å; S74-E76 PolarHBondContact O-N 3.23Å
75	A	61.8	Low	67.6	Low	87 Å²	87	116.4 Å²	116.4	72%	0.719	66%	0.655	S	S	*	*			trans	-48.4	118.1	172.6	0	0	0	0	0	107.7	V73 K77	V73-A75 PolarHBondContact O-N 3.2Å; A75-K77 PolarHBondContact O-N 2.98Å; A75-K77 VanDerWaalsContact O-N 3.08Å
76	E	79.4	Confident	70.6	Confident	187 Å²	187	112.2 Å²	112.2	87%	0.874	63%	0.634	S	S	*	*			trans	-61.5	113.4	-177.9	-162	171.2	-169.1	0	0	106.8	S74	S74-E76 PolarHBondContact O-N 3.23Å
77	K	87.1	Confident	73.3	Confident	89 Å²	89	108.4 Å²	108.4	39%	0.387	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-70.1	132.4	-178.9	-68.2	179.7	-175.9	174.7	0	108.5	A75 P118 S119 T122	A75-K77 PolarHBondContact O-N 2.98Å; A75-K77 VanDerWaalsContact O-N 3.08Å; K77-P118 PolarHBondContact NZ-O 2.99Å; K77-P118 VanDerWaalsContact NZ-O 3.14Å; K77-S119 WeakPolarHBondContact CE-O 3.37Å; K77-S119 PolarHBondContact NZ-O 3.15Å; K77-T122 PolarHBondContact O-OG1 3.24Å; K77-T122 VanDerWaalsContact O-OG1 3.11Å
78	D	95.1	Very high	76.2	Confident	140 Å²	140	104.3 Å²	104.3	75%	0.749	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-55.5	149.4	168.8	-65.9	-42.8	0	0	0	110.5	C121 T122	D78-C121 CarbonylContact O-C 3.53Å; D78-C121 VanDerWaalsContact O-CA 3.25Å; D78-C121 WeakPolarHBondContact O-CA 3.32Å; D78-C121 VanDerWaalsContact O-CB 3.3Å; D78-C121 WeakPolarHBondContact O-CB 3.33Å; D78-T122 PolarHBondContact O-N 3.5Å
79	E	97.4	Very high	79	Confident	120 Å²	120	99.3 Å²	99.3	56%	0.561	56%	0.555	S	S	*	*	B	Isolated β-bridge	trans	-62.9	144.5	172.9	-66.2	-173.4	139.6	0	0	110.9	T122 R124	E79-T122 WeakPolarHBondContact CA-O 3.44Å; E79-R124 VanDerWaalsContact CB-NH2 3.29Å; E79-R124 IonicContact OE1-NH1 3.97Å; E79-R124 IonicContact OE2-CZ 2.67Å; E79-R124 IonicContact OE2-NH1 2.74Å; E79-R124 PolarHBondContact OE2-NH1 3.46Å; E79-R124 IonicContact OE2-NH2 3.33Å; E79-R124 PolarHBondContact OE2-NH2 3.41Å
80	C	98.2	Very high	81.8	Confident	3 Å²	3	98 Å²	98	2%	0.02	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-57.9	151.2	172.4	-58.4	0	0	0	0	110.4	C121 T122 R124 Q155	C80-C121 WeakPolarHBondContact CA-SG 3.49Å; C80-C121 HydrophobicContact CB-CB 3.92Å; C80-C121 WeakPolarHBondContact CB-SG 3.28Å; C80-C121 WeakPolarHBondContact SG-CB 3.19Å; C80-C121 CovalentContact SG-SG 2.04Å; C80-C121 PolarHBondContact SG-SG 2.92Å; C80-T122 PolarHBondContact N-O 2.9Å; C80-T122 VanDerWaalsContact SG-C 3.53Å; C80-T122 PolarHBondContact SG-O 2.88Å; C80-R124 VanDerWaalsContact O-CZ 3.23Å; C80-R124 PolarHBondContact O-NE 3.08Å; C80-R124 PolarHBondContact O-NH2 2.84Å; C80-Q155 HydrophobicContact CB-CB 4.18Å
81	P	97.6	Very high	84.4	Confident	63 Å²	63	91.3 Å²	91.3	41%	0.409	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-62.2	152.6	177.9	25.7	-33.5	0	0	0	111.7	E83 P85	P81-E83 VanDerWaalsContact C-N 3.26Å; P81-E83 WeakPolarHBondContact CB-O 3.48Å; P81-E83 PolarHBondContact O-N 3.26Å; P81-P85 HydrophobicContact CG-CG 4.43Å
82	E	95.6	Very high	86.9	Confident	171 Å²	171	96.2 Å²	96.2	80%	0.799	54%	0.535	S	S	*	.	S	Bend	trans	-54.8	-42.7	176.4	-77.1	-96.2	144.6	0	0	112.1
83	E	95.8	Very high	89.5	Confident	139 Å²	139	90.2 Å²	90.2	65%	0.65	50%	0.503	S	S	*	.	S	Bend	trans	-112.5	121.8	171	-174.6	172.1	-167.3	0	0	108.7	P81 L87	P81-E83 VanDerWaalsContact C-N 3.26Å; P81-E83 WeakPolarHBondContact CB-O 3.48Å; P81-E83 PolarHBondContact O-N 3.26Å; E83-L87 HydrophobicContact CG-CD1 4.47Å
84	S	98.3	Very high	92	Very high	11 Å²	11	87 Å²	87	8%	0.077	48%	0.484	C	S	.	.			trans	-65	128.7	179.5	167.9	0	0	0	0	110.8	L86 L87 R153 Q155	S84-L86 PolarHBondContact O-N 3.35Å; S84-L86 WeakPolarHBondContact OG-CB 3.28Å; S84-L86 PolarHBondContact OG-N 2.97Å; S84-L87 WeakPolarHBondContact O-CG 3.29Å; S84-R153 VanDerWaalsContact CB-O 3.23Å; S84-R153 WeakPolarHBondContact CB-O 3.48Å; S84-R153 PolarHBondContact OG-O 3.03Å; S84-Q155 PolarHBondContact OG-OE1 3.28Å
85	P	97.9	Very high	93.8	Very high	104 Å²	104	85.6 Å²	85.6	68%	0.675	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-4.4	174.1	32.8	-36.7	0	0	0	112.4	P81	P81-P85 HydrophobicContact CG-CG 4.43Å
86	L	98.3	Very high	95.4	Very high	80 Å²	80	87 Å²	87	42%	0.419	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.2	-176.9	-49.5	178.6	0	0	0	112.9	S84 R153 Q155	S84-L86 PolarHBondContact O-N 3.35Å; S84-L86 WeakPolarHBondContact OG-CB 3.28Å; S84-L86 PolarHBondContact OG-N 2.97Å; L86-R153 HydrophobicContact CB-CB 4.14Å; L86-R153 HydrophobicContact CB-CG 4.24Å; L86-R153 VanDerWaalsContact O-CD 3.29Å; L86-R153 WeakPolarHBondContact O-CD 3.44Å; L86-Q155 HydrophobicContact CD1-CG 3.88Å
87	L	98.5	Very high	96.2	Very high	26 Å²	26	83.2 Å²	83.2	14%	0.136	45%	0.451	C	S	.	.			trans	-64.5	134.7	-179.9	-57.7	-178.6	0	0	0	110.9	E83 S84 R153 Q154 D205 L208	E83-L87 HydrophobicContact CG-CD1 4.47Å; S84-L87 WeakPolarHBondContact O-CG 3.29Å; L87-R153 WeakPolarHBondContact CD2-O 3.46Å; L87-Q154 HydrophobicContact CD2-CG 3.79Å; L87-D205 HydrophobicContact CD2-CB 4.2Å; L87-L208 HydrophobicContact CD1-CD2 4.07Å
88	V	98.1	Very high	96.6	Very high	94 Å²	94	83 Å²	83	57%	0.57	46%	0.461	S	S	*	.			trans	-112	-7.7	-178.2	-59	0	0	0	0	113.5	D205	V88-D205 VanDerWaalsContact CG2-OD2 3.28Å; V88-D205 WeakPolarHBondContact CG2-OD2 3.4Å; V88-D205 PolarHBondContact N-OD1 3.09Å; V88-D205 VanDerWaalsContact N-OD1 3.17Å; V88-D205 PolarHBondContact N-OD2 3Å
89	G	98.1	Very high	96.7	Very high	8 Å²	8	77 Å²	77	8%	0.082	43%	0.429	C	S	.	.			trans	83.5	-142.2	-177	0	0	0	0	0	113	S91 N204 D205 H206	G89-S91 PolarHBondContact O-N 3.05Å; G89-N204 VanDerWaalsContact C-OD1 3.28Å; G89-N204 WeakPolarHBondContact CA-OD1 3.37Å; G89-N204 WeakPolarHBondContact O-CA 3.34Å; G89-D205 WeakPolarHBondContact CA-OD1 3.02Å; G89-D205 PolarHBondContact N-OD1 3.13Å; G89-D205 PolarHBondContact O-N 3.07Å; G89-H206 VanDerWaalsContact CA-CE1 3.45Å; G89-H206 WeakPolarHBondContact CA-CE1 3.37Å; G89-H206 VanDerWaalsContact CA-ND1 3.27Å; G89-H206 WeakPolarHBondContact CA-ND1 3.47Å; G89-H206 PolarHBondContact N-CE1 2.94Å; G89-H206 PolarHBondContact N-ND1 3.48Å
90	A	97.5	Very high	96.7	Very high	83 Å²	83	74.6 Å²	74.6	69%	0.686	42%	0.419	S	S	*	.	B	Isolated β-bridge	trans	-67.5	126.3	-177.7	0	0	0	0	0	110.8	E203 N204	A90-E203 CarbonylContact C-O 3.51Å; A90-E203 VanDerWaalsContact CA-O 3.27Å; A90-E203 WeakPolarHBondContact CA-O 3.25Å; A90-N204 HydrophobicContact CB-CB 4.49Å
91	S	93.6	Very high	96.7	Very high	45 Å²	45	77.6 Å²	77.6	32%	0.315	44%	0.435	S	S	.	.			trans	-114.2	140.9	179.8	-66.2	0	0	0	0	110.9	G89 L93 E203	G89-S91 PolarHBondContact O-N 3.05Å; S91-L93 PolarHBondContact O-N 3.24Å; S91-E203 PolarHBondContact N-O 3.39Å
92	K	94.1	Very high	96.7	Very high	193 Å²	193	82.1 Å²	82.1	84%	0.839	45%	0.448	S	S	*	.			trans	-77.6	116.3	174.2	-176.1	-177.9	178.1	-174.7	0	109.4
93	L	96.8	Very high	96.8	Very high	29 Å²	29	76.8 Å²	76.8	15%	0.152	43%	0.425	C	S	.	.			trans	-80.7	142.8	177.9	-56.5	177.2	0	0	0	111.7	S91 F95 H146 V201 E203	S91-L93 PolarHBondContact O-N 3.24Å; L93-F95 HydrophobicContact CB-CE2 3.74Å; L93-F95 HydrophobicContact CB-CZ 3.81Å; L93-F95 HydrophobicContact CD1-CZ 4.15Å; L93-H146 HydrophobicContact CD2-CB 4.3Å; L93-V201 HydrophobicContact CD1-CB 3.91Å; L93-V201 HydrophobicContact CD1-CG1 3.62Å; L93-V201 HydrophobicContact CD2-CG1 3.79Å; L93-V201 HydrophobicContact CG-CG1 4.32Å; L93-E203 HydrophobicContact CD1-CG 3.72Å; L93-E203 HydrophobicContact CG-CG 4.43Å
94	T	95.5	Very high	96.9	Very high	56 Å²	56	70.1 Å²	70.1	34%	0.344	39%	0.394	S	S	.	.			trans	-126.5	140.4	177.8	57.1	0	0	0	0	110.8	H146	T94-H146 PolarHBondContact N-CE1 3.23Å; T94-H146 PolarHBondContact O-CE1 3.01Å; T94-H146 PolarHBondContact O-NE2 2.85Å
95	F	95.9	Very high	96.9	Very high	69 Å²	69	72.5 Å²	72.5	30%	0.303	40%	0.404	S	S	.	.			trans	-131.6	57.8	-175.3	-57.3	-78.9	0	0	0	110.1	L93 Y142 V201 T288 V290	L93-F95 HydrophobicContact CB-CE2 3.74Å; L93-F95 HydrophobicContact CB-CZ 3.81Å; L93-F95 HydrophobicContact CD1-CZ 4.15Å; F95-Y142 HydrophobicContact CB-CD1 4.38Å; F95-Y142 HydrophobicContact CB-CE1 4.11Å; F95-Y142 HydrophobicContact CB-CE2 4.19Å; F95-Y142 HydrophobicContact CD1-CD1 4.01Å; F95-Y142 AromaticContact CD1-CD2 3.9Å; F95-Y142 HydrophobicContact CD1-CD2 3.9Å; F95-Y142 HydrophobicContact CD1-CE2 4.41Å; F95-Y142 AromaticContact CD1-CG 3.68Å; F95-Y142 HydrophobicContact CD1-CG 3.68Å; F95-Y142 HydrophobicContact CE1-CG 4.45Å; F95-Y142 PolarHBondContact O-OH 3.41Å; F95-V201 HydrophobicContact CE1-CG2 4.02Å; F95-V201 HydrophobicContact CZ-CB 4.43Å; F95-V201 HydrophobicContact CZ-CG2 4.35Å; F95-T288 HydrophobicContact CE2-CG2 3.62Å; F95-T288 HydrophobicContact CZ-CG2 3.62Å; F95-V290 HydrophobicContact CD1-CG2 3.86Å; F95-V290 HydrophobicContact CE1-CG2 3.42Å; F95-V290 VanDerWaalsContact CE1-CG2 3.42Å; F95-V290 HydrophobicContact CZ-CG2 4.01Å
96	E	95.6	Very high	96.9	Very high	117 Å²	117	74.8 Å²	74.8	55%	0.547	40%	0.403	S	S	.	.			trans	-65.6	134.1	-176.6	-61	-171.4	179.2	0	0	111	S98 L99 R138 Y142	E96-S98 PolarHBondContact O-N 3.33Å; E96-L99 WeakPolarHBondContact O-CB 3.15Å; E96-L99 PolarHBondContact O-N 3.41Å; E96-R138 PolarHBondContact O-NH2 2.97Å; E96-Y142 WeakPolarHBondContact O-CE1 3.25Å; E96-Y142 PolarHBondContact O-OH 3.06Å
97	S	94.4	Very high	96.9	Very high	108 Å²	108	76.5 Å²	76.5	76%	0.755	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.9	178.9	52.2	0	0	0	0	113.7	R138	S97-R138 PolarHBondContact O-NH2 3.5Å
98	S	96.6	Very high	96.9	Very high	84 Å²	84	75.5 Å²	75.5	59%	0.587	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.2	178.5	41.4	0	0	0	0	114.2	E96 N100	E96-S98 PolarHBondContact O-N 3.33Å; S98-N100 PolarHBondContact O-N 3.43Å
99	L	97.4	Very high	96.8	Very high	15 Å²	15	78.5 Å²	78.5	8%	0.079	41%	0.409	C	S	.	.			trans	-53.2	134.9	-177.9	-177.8	71.5	0	0	0	110.6	E96 D103 V104 R138 L141 Y142 H145	E96-L99 WeakPolarHBondContact O-CB 3.15Å; E96-L99 PolarHBondContact O-N 3.41Å; L99-D103 HydrophobicContact CD1-CB 4.01Å; L99-V104 HydrophobicContact CD1-CG2 4.08Å; L99-V104 HydrophobicContact CD2-CG2 4.33Å; L99-V104 HydrophobicContact CG-CG2 4.33Å; L99-R138 PolarHBondContact O-NH1 3.05Å; L99-R138 PolarHBondContact O-NH2 3.27Å; L99-L141 HydrophobicContact CD2-CD2 4.37Å; L99-L141 HydrophobicContact CD2-CG 4.06Å; L99-L141 HydrophobicContact CG-CD2 4.24Å; L99-L141 HydrophobicContact CG-CG 4.32Å; L99-L141 VanDerWaalsContact O-CD2 3.31Å; L99-L141 WeakPolarHBondContact O-CD2 3.31Å; L99-Y142 HydrophobicContact CD2-CD1 3.85Å; L99-Y142 HydrophobicContact CD2-CE1 4.14Å; L99-H145 HydrophobicContact CD2-CB 3.82Å
100	N	97.6	Very high	96.8	Very high	68 Å²	68	82.4 Å²	82.4	36%	0.364	43%	0.431	S	S	.	.			trans	-129.3	168.8	174.2	71.6	70.3	0	0	0	111.5	S98 K102 D103 V104	S98-N100 PolarHBondContact O-N 3.43Å; N100-K102 VanDerWaalsContact C-N 3.3Å; N100-K102 PolarHBondContact O-N 3.14Å; N100-K102 WeakPolarHBondContact OD1-CA 3.36Å; N100-K102 VanDerWaalsContact OD1-CB 3.31Å; N100-K102 WeakPolarHBondContact OD1-CB 3.48Å; N100-K102 PolarHBondContact OD1-N 2.87Å; N100-D103 PolarHBondContact N-OD2 2.82Å; N100-D103 PolarHBondContact ND2-OD1 2.97Å; N100-D103 PolarHBondContact ND2-OD2 3.41Å; N100-D103 WeakPolarHBondContact O-CB 3.36Å; N100-D103 PolarHBondContact O-N 3.19Å; N100-D103 PolarHBondContact OD1-N 3.03Å; N100-V104 PolarHBondContact O-N 2.92Å
101	L	97.4	Very high	96.8	Very high	67 Å²	67	78.7 Å²	78.7	35%	0.351	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-34.3	-174.8	-167.9	67.2	0	0	0	113	D103 V104 E105 L141 L144 L335	L101-D103 VanDerWaalsContact C-N 3.3Å; L101-D103 PolarHBondContact O-N 2.92Å; L101-V104 PolarHBondContact O-N 3.18Å; L101-E105 WeakPolarHBondContact O-CG 3.19Å; L101-E105 PolarHBondContact O-N 3Å; L101-L141 HydrophobicContact CB-CD1 4.21Å; L101-L141 HydrophobicContact CD1-CD1 3.95Å; L101-L144 HydrophobicContact CD1-CD1 4.28Å; L101-L335 HydrophobicContact CD1-CD1 3.78Å; L101-L335 HydrophobicContact CG-CD1 4.42Å
102	K	97.8	Very high	97	Very high	158 Å²	158	80.8 Å²	80.8	69%	0.687	41%	0.411	S	S	*	.	H	α-helix	trans	-68.2	-31.7	179.7	-63.7	-177.7	175.6	-179.3	0	112.2	N100 E105 K106	N100-K102 VanDerWaalsContact C-N 3.3Å; N100-K102 PolarHBondContact O-N 3.14Å; N100-K102 WeakPolarHBondContact OD1-CA 3.36Å; N100-K102 VanDerWaalsContact OD1-CB 3.31Å; N100-K102 WeakPolarHBondContact OD1-CB 3.48Å; N100-K102 PolarHBondContact OD1-N 2.87Å; K102-E105 PolarHBondContact O-N 3.42Å; K102-K106 VanDerWaalsContact O-CB 3.29Å; K102-K106 WeakPolarHBondContact O-CB 3.27Å; K102-K106 PolarHBondContact O-N 3.28Å
103	D	97.6	Very high	97.2	Very high	58 Å²	58	78.1 Å²	78.1	31%	0.31	40%	0.4	S	S	.	.	H	α-helix	trans	-62	-48.3	173.9	-54.5	-32	0	0	0	109.5	L99 N100 L101 E105 K106 E107	L99-D103 HydrophobicContact CD1-CB 4.01Å; N100-D103 PolarHBondContact N-OD2 2.82Å; N100-D103 PolarHBondContact ND2-OD1 2.97Å; N100-D103 PolarHBondContact ND2-OD2 3.41Å; N100-D103 WeakPolarHBondContact O-CB 3.36Å; N100-D103 PolarHBondContact O-N 3.19Å; N100-D103 PolarHBondContact OD1-N 3.03Å; L101-D103 VanDerWaalsContact C-N 3.3Å; L101-D103 PolarHBondContact O-N 2.92Å; D103-E105 PolarHBondContact O-N 2.91Å; D103-K106 WeakPolarHBondContact O-CB 3.33Å; D103-K106 PolarHBondContact O-N 2.03Å; D103-K106 VanDerWaalsContact O-N 3.15Å; D103-E107 WeakPolarHBondContact O-CG 3.4Å; D103-E107 PolarHBondContact O-N 3.45Å
104	V	98.3	Very high	97.2	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-63.4	-41.7	178.7	-175.1	0	0	0	0	111.8	L99 N100 L101 K106 E107 N108 L141 L144 H145 L335	L99-V104 HydrophobicContact CD1-CG2 4.08Å; L99-V104 HydrophobicContact CD2-CG2 4.33Å; L99-V104 HydrophobicContact CG-CG2 4.33Å; N100-V104 PolarHBondContact O-N 2.92Å; L101-V104 PolarHBondContact O-N 3.18Å; V104-K106 VanDerWaalsContact C-N 3.33Å; V104-K106 PolarHBondContact O-N 3.06Å; V104-E107 PolarHBondContact O-N 2.97Å; V104-N108 WeakPolarHBondContact O-CB 3.48Å; V104-N108 PolarHBondContact O-N 2.94Å; V104-N108 PolarHBondContact O-ND2 2.88Å; V104-L141 HydrophobicContact CG2-CD1 3.7Å; V104-L144 HydrophobicContact CG1-CB 4.35Å; V104-H145 HydrophobicContact CG1-CB 4.4Å; V104-H145 HydrophobicContact CG2-CB 3.75Å; V104-L335 HydrophobicContact CB-CD1 3.86Å; V104-L335 HydrophobicContact CG1-CD1 3.55Å; V104-L335 HydrophobicContact CG1-CD2 4.43Å
105	E	98.3	Very high	97.3	Very high	61 Å²	61	76.6 Å²	76.6	29%	0.285	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-42.9	173.9	-73.5	174.8	-177.3	0	0	111.8	L101 K102 D103 E107 N108 K109 P334 L335	L101-E105 WeakPolarHBondContact O-CG 3.19Å; L101-E105 PolarHBondContact O-N 3Å; K102-E105 PolarHBondContact O-N 3.42Å; D103-E105 PolarHBondContact O-N 2.91Å; E105-E107 VanDerWaalsContact C-N 3.32Å; E105-E107 PolarHBondContact O-N 2.85Å; E105-N108 CarbonylContact O-C 3.59Å; E105-N108 PolarHBondContact O-N 3.22Å; E105-K109 PolarHBondContact O-N 3.3Å; E105-P334 HydrophobicContact CG-CB 4.11Å; E105-L335 HydrophobicContact CG-CD1 3.67Å; E105-L335 HydrophobicContact CG-CD2 4.39Å; E105-L335 HydrophobicContact CG-CG 3.78Å
106	K	98.1	Very high	97.5	Very high	151 Å²	151	74.7 Å²	74.7	66%	0.657	38%	0.379	S	S	*	.	H	α-helix	trans	-67.3	-33.7	179.7	-175.7	-173.5	174.8	-170.8	0	112.3	K102 D103 V104 K109	K102-K106 VanDerWaalsContact O-CB 3.29Å; K102-K106 WeakPolarHBondContact O-CB 3.27Å; K102-K106 PolarHBondContact O-N 3.28Å; D103-K106 WeakPolarHBondContact O-CB 3.33Å; D103-K106 PolarHBondContact O-N 2.03Å; D103-K106 VanDerWaalsContact O-N 3.15Å; V104-K106 VanDerWaalsContact C-N 3.33Å; V104-K106 PolarHBondContact O-N 3.06Å; K106-K109 VanDerWaalsContact O-CE 3.3Å; K106-K109 WeakPolarHBondContact O-CE 3.46Å; K106-K109 WeakPolarHBondContact O-CG 3.2Å
107	E	97.7	Very high	97.6	Very high	117 Å²	117	73.9 Å²	73.9	55%	0.547	38%	0.375	S	S	.	.	H	α-helix	trans	-76.9	-24.4	176.9	-71.2	169.9	-177.5	0	0	112.5	D103 V104 E105 H145	D103-E107 WeakPolarHBondContact O-CG 3.4Å; D103-E107 PolarHBondContact O-N 3.45Å; V104-E107 PolarHBondContact O-N 2.97Å; E105-E107 VanDerWaalsContact C-N 3.32Å; E105-E107 PolarHBondContact O-N 2.85Å; E107-H145 IonicContact OE2-CD2 3.91Å; E107-H145 PolarHBondContact OE2-CD2 2.99Å; E107-H145 VanDerWaalsContact OE2-CD2 3.29Å; E107-H145 IonicContact OE2-NE2 2.65Å; E107-H145 PolarHBondContact OE2-NE2 3.39Å
108	N	97.9	Very high	97.8	Very high	5 Å²	5	68.8 Å²	68.8	3%	0.027	34%	0.339	C	S	.	.			trans	-121.1	44.5	-174.1	-64.8	-82.9	0	0	0	112.9	V104 E105 V110 V111 H148 Q152 L335	V104-N108 WeakPolarHBondContact O-CB 3.48Å; V104-N108 PolarHBondContact O-N 2.94Å; V104-N108 PolarHBondContact O-ND2 2.88Å; E105-N108 CarbonylContact O-C 3.59Å; E105-N108 PolarHBondContact O-N 3.22Å; N108-V110 PolarHBondContact O-N 3.47Å; N108-V111 HydrophobicContact CB-CG2 4.02Å; N108-V111 WeakPolarHBondContact O-CB 3.35Å; N108-V111 PolarHBondContact O-N 2.97Å; N108-H148 HydrophobicContact CB-CB 4.33Å; N108-H148 WeakPolarHBondContact OD1-CB 3.33Å; N108-Q152 PolarHBondContact OD1-NE2 3.02Å; N108-L335 HydrophobicContact CB-CD2 3.99Å
109	K	97.3	Very high	97.7	Very high	156 Å²	156	69.7 Å²	69.7	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.3	-176.2	-63.1	179.9	-175.8	178.3	0	115.2	E105 K106 V111	E105-K109 PolarHBondContact O-N 3.3Å; K106-K109 VanDerWaalsContact O-CE 3.3Å; K106-K109 WeakPolarHBondContact O-CE 3.46Å; K106-K109 WeakPolarHBondContact O-CG 3.2Å; K109-V111 VanDerWaalsContact C-N 3.27Å
110	V	97.5	Very high	97.6	Very high	90 Å²	90	74.2 Å²	74.2	55%	0.545	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.6	177.5	-64	0	0	0	0	112.4	N108 Y116	N108-V110 PolarHBondContact O-N 3.47Å; V110-Y116 HydrophobicContact CB-CD2 4.17Å; V110-Y116 HydrophobicContact CB-CE2 4.14Å; V110-Y116 HydrophobicContact CG2-CD2 3.76Å; V110-Y116 HydrophobicContact CG2-CE2 3.71Å
111	V	98.2	Very high	97.6	Very high	6 Å²	6	71.4 Å²	71.4	4%	0.036	36%	0.355	C	S	.	.			trans	-81.8	125.6	171.9	-172.1	0	0	0	0	107.6	N108 K109 E115 L335	N108-V111 HydrophobicContact CB-CG2 4.02Å; N108-V111 WeakPolarHBondContact O-CB 3.35Å; N108-V111 PolarHBondContact O-N 2.97Å; K109-V111 VanDerWaalsContact C-N 3.27Å; V111-E115 WeakPolarHBondContact CA-O 3.47Å; V111-E115 WeakPolarHBondContact CG1-O 3.47Å; V111-L335 HydrophobicContact CB-CD2 4.48Å
112	T	97.2	Very high	97.6	Very high	89 Å²	89	71 Å²	71	55%	0.546	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-129.9	134.4	179.4	67.5	0	0	0	0	109.9	G114 E115	T112-G114 PolarHBondContact O-N 3.48Å; T112-E115 PolarHBondContact N-O 3.05Å; T112-E115 PolarHBondContact O-N 3.05Å
113	K	97.8	Very high	97.7	Very high	137 Å²	137	64.1 Å²	64.1	60%	0.596	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	30	178.7	-66	-178.5	179.7	176.2	0	113.8	R332 Y333 P334	K113-R332 HydrophobicContact CB-CB 4.01Å; K113-R332 HydrophobicContact CG-CB 4.35Å; K113-R332 PolarHBondContact O-NH1 2.88Å; K113-Y333 CarbonylContact C-O 3.6Å; K113-Y333 WeakPolarHBondContact CA-O 3.34Å; K113-P334 PolarHBondContact N-O 3.33Å
114	G	97.2	Very high	97.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	10.6	179.6	0	0	0	0	0	115.9	T112 A159 I160 Y333 P334 L335 Y336	T112-G114 PolarHBondContact O-N 3.48Å; G114-A159 VanDerWaalsContact O-CA 3.25Å; G114-A159 WeakPolarHBondContact O-CA 3.29Å; G114-I160 PolarHBondContact O-N 2.74Å; G114-Y333 PolarHBondContact N-O 2.77Å; G114-P334 PolarHBondContact N-O 2.78Å; G114-L335 VanDerWaalsContact CA-C 3.49Å; G114-Y336 VanDerWaalsContact CA-CA 3.44Å; G114-Y336 VanDerWaalsContact CA-N 3.33Å
115	E	98.6	Very high	97.7	Very high	53 Å²	53	68.7 Å²	68.7	25%	0.248	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.3	-170	-166.7	172.9	147.4	0	0	110.8	V111 T112 H157 Y158 A159 R332	V111-E115 WeakPolarHBondContact CA-O 3.47Å; V111-E115 WeakPolarHBondContact CG1-O 3.47Å; T112-E115 PolarHBondContact N-O 3.05Å; T112-E115 PolarHBondContact O-N 3.05Å; E115-H157 IonicContact OE1-NE2 3.18Å; E115-H157 PolarHBondContact OE1-NE2 3.39Å; E115-Y158 CarbonylContact C-O 3.58Å; E115-Y158 VanDerWaalsContact CA-O 3.29Å; E115-Y158 WeakPolarHBondContact CA-O 3.34Å; E115-A159 HydrophobicContact CB-CB 4.3Å; E115-A159 HydrophobicContact CG-CB 4.22Å; E115-R332 IonicContact OE2-NH1 3.2Å; E115-R332 PolarHBondContact OE2-NH1 3.03Å; E115-R332 IonicContact OE2-NH2 2.89Å
116	Y	98.7	Very high	97.7	Very high	29 Å²	29	66.6 Å²	66.6	11%	0.114	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.9	178.3	166.9	-91.6	0	0	0	110.3	V110 P118 Q152 L156 H157 Y158	V110-Y116 HydrophobicContact CB-CD2 4.17Å; V110-Y116 HydrophobicContact CB-CE2 4.14Å; V110-Y116 HydrophobicContact CG2-CD2 3.76Å; V110-Y116 HydrophobicContact CG2-CE2 3.71Å; Y116-P118 HydrophobicContact CE1-CG 4.18Å; Y116-Q152 HydrophobicContact CD1-CG 3.98Å; Y116-Q152 HydrophobicContact CD2-CG 3.97Å; Y116-Q152 HydrophobicContact CE1-CB 4.13Å; Y116-Q152 HydrophobicContact CE1-CG 3.87Å; Y116-Q152 HydrophobicContact CE2-CG 3.87Å; Y116-Q152 HydrophobicContact CG-CG 4.01Å; Y116-L156 WeakPolarHBondContact CD1-O 3.35Å; Y116-L156 WeakPolarHBondContact CE1-O 3.41Å; Y116-H157 CarbonylContact O-C 3.46Å; Y116-H157 WeakPolarHBondContact O-CA 3.22Å; Y116-H157 PolarHBondContact O-CD2 2.99Å; Y116-Y158 AromaticContact CD1-CD1 3.77Å; Y116-Y158 HydrophobicContact CD1-CD1 3.77Å; Y116-Y158 AromaticContact CD1-CE1 3.35Å; Y116-Y158 HydrophobicContact CD1-CE1 3.35Å; Y116-Y158 HydrophobicContact CE1-CE1 4.32Å; Y116-Y158 HydrophobicContact CG-CD1 4.39Å; Y116-Y158 AromaticContact CG-CE1 3.76Å; Y116-Y158 HydrophobicContact CG-CE1 3.76Å; Y116-Y158 PolarHBondContact N-O 3.05Å; Y116-Y158 PolarHBondContact O-N 2.8Å
117	E	97.9	Very high	97.7	Very high	100 Å²	100	59.4 Å²	59.4	47%	0.467	31%	0.305	S	S	.	.			trans	-138.3	143.5	169.5	-172.9	178.7	-172.8	0	0	109.2	S119 H157	E117-S119 PolarHBondContact O-N 3.33Å; E117-H157 HydrophobicContact CG-CB 4.25Å
118	P	97.8	Very high	97.8	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.279	C	S	.	.			trans	-58.1	135.2	175.1	-23.9	35.2	0	0	0	112.8	K77 Y116 A123 Q155	K77-P118 PolarHBondContact NZ-O 2.99Å; K77-P118 VanDerWaalsContact NZ-O 3.14Å; Y116-P118 HydrophobicContact CE1-CG 4.18Å; P118-A123 HydrophobicContact CG-CB 4.33Å; P118-Q155 HydrophobicContact CG-CB 4.09Å
119	S	95.8	Very high	97.8	Very high	103 Å²	103	53.6 Å²	53.6	72%	0.72	28%	0.278	S	S	*	.	S	Bend	trans	-81.4	-22.2	-178.8	59.3	0	0	0	0	113.2	K77 E117	K77-S119 WeakPolarHBondContact CE-O 3.37Å; K77-S119 PolarHBondContact NZ-O 3.15Å; E117-S119 PolarHBondContact O-N 3.33Å
120	D	95.6	Very high	97.9	Very high	109 Å²	109	46.1 Å²	46.1	58%	0.583	25%	0.246	S	C	*	.	S	Bend	trans	-99.6	-20	-171	57.8	-31.8	0	0	0	114.1
121	C	97.6	Very high	98	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.061	22%	0.22	C	C	.	.	S	Bend	trans	-146.4	165.6	179	57.2	0	0	0	0	111.7	D78 C80 Q155	D78-C121 CarbonylContact O-C 3.53Å; D78-C121 VanDerWaalsContact O-CA 3.25Å; D78-C121 WeakPolarHBondContact O-CA 3.32Å; D78-C121 VanDerWaalsContact O-CB 3.3Å; D78-C121 WeakPolarHBondContact O-CB 3.33Å; C80-C121 WeakPolarHBondContact CA-SG 3.49Å; C80-C121 HydrophobicContact CB-CB 3.92Å; C80-C121 WeakPolarHBondContact CB-SG 3.28Å; C80-C121 WeakPolarHBondContact SG-CB 3.19Å; C80-C121 CovalentContact SG-SG 2.04Å; C80-C121 PolarHBondContact SG-SG 2.92Å; C121-Q155 PolarHBondContact SG-NE2 2.95Å
122	T	98	Very high	98	Very high	58 Å²	58	41.9 Å²	41.9	36%	0.356	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-86	122.4	172.1	-55.2	0	0	0	0	109.4	K77 D78 E79 C80 R124	K77-T122 PolarHBondContact O-OG1 3.24Å; K77-T122 VanDerWaalsContact O-OG1 3.11Å; D78-T122 PolarHBondContact O-N 3.5Å; E79-T122 WeakPolarHBondContact CA-O 3.44Å; C80-T122 PolarHBondContact N-O 2.9Å; C80-T122 VanDerWaalsContact SG-C 3.53Å; C80-T122 PolarHBondContact SG-O 2.88Å; T122-R124 PolarHBondContact O-N 3.47Å
123	A	98.1	Very high	98.1	Very high	15 Å²	15	38 Å²	38	12%	0.124	20%	0.195	C	C	.	.			trans	-65.9	134.8	-177.8	0	0	0	0	0	112	P118 H125 H157	P118-A123 HydrophobicContact CG-CB 4.33Å; A123-H125 VanDerWaalsContact C-N 3.26Å; A123-H125 PolarHBondContact O-N 2.81Å; A123-H157 HydrophobicContact CB-CB 3.69Å
124	R	97.6	Very high	98	Very high	83 Å²	83	32.7 Å²	32.7	31%	0.313	17%	0.172	S	C	.	.	S	Bend	trans	-71.4	-20.4	176.2	-65.8	-175.2	176.8	-69.5	-22.5	113.8	E79 C80 T122	E79-R124 VanDerWaalsContact CB-NH2 3.29Å; E79-R124 IonicContact OE1-NH1 3.97Å; E79-R124 IonicContact OE2-CZ 2.67Å; E79-R124 IonicContact OE2-NH1 2.74Å; E79-R124 PolarHBondContact OE2-NH1 3.46Å; E79-R124 IonicContact OE2-NH2 3.33Å; E79-R124 PolarHBondContact OE2-NH2 3.41Å; C80-R124 VanDerWaalsContact O-CZ 3.23Å; C80-R124 PolarHBondContact O-NE 3.08Å; C80-R124 PolarHBondContact O-NH2 2.84Å; T122-R124 PolarHBondContact O-N 3.47Å
125	H	98.1	Very high	97.9	Very high	71 Å²	71	37.8 Å²	37.8	33%	0.329	20%	0.199	S	C	.	.			trans	-136.4	125.1	-171.3	-59	-54.8	0	0	0	110.6	A123 V127 L156 H157 I210	A123-H125 VanDerWaalsContact C-N 3.26Å; A123-H125 PolarHBondContact O-N 2.81Å; H125-V127 HydrophobicContact CB-CG2 4.2Å; H125-L156 HydrophobicContact CB-CD2 4.04Å; H125-H157 PolarHBondContact O-N 3.47Å; H125-H157 VanDerWaalsContact O-N 3.11Å; H125-I210 HydrophobicContact CB-CG2 4.13Å
126	S	98.8	Very high	97.8	Very high	16 Å²	16	36.2 Å²	36.2	11%	0.112	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.9	168.9	-61.6	0	0	0	0	110.2	H157 D191 C192	S126-H157 CarbonylContact C-O 3.56Å; S126-H157 VanDerWaalsContact CA-O 3.28Å; S126-H157 WeakPolarHBondContact CA-O 3.47Å; S126-H157 WeakPolarHBondContact CB-ND1 3.44Å; S126-H157 PolarHBondContact OG-ND1 2.91Å; S126-D191 WeakPolarHBondContact CB-OD2 3.24Å; S126-D191 PolarHBondContact N-OD2 3.09Å; S126-D191 PolarHBondContact O-N 3.38Å; S126-C192 PolarHBondContact O-N 3Å
127	V	98.9	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.8	-169.6	-168.9	0	0	0	0	112.9	H125 I129 L156 H157 Y158 A159 W190 C192 I194 Y209	H125-V127 HydrophobicContact CB-CG2 4.2Å; V127-I129 HydrophobicContact CG1-CD1 3.68Å; V127-L156 HydrophobicContact CG2-CD1 4.26Å; V127-L156 HydrophobicContact CG2-CD2 4.28Å; V127-H157 PolarHBondContact N-O 3.34Å; V127-Y158 WeakPolarHBondContact O-CA 3.25Å; V127-Y158 WeakPolarHBondContact O-CB 3.35Å; V127-A159 PolarHBondContact O-N 3.09Å; V127-A159 VanDerWaalsContact O-N 3.14Å; V127-W190 VanDerWaalsContact C-CE3 3.42Å; V127-W190 VanDerWaalsContact N-CE3 3.29Å; V127-C192 WeakPolarHBondContact CA-O 3.47Å; V127-C192 HydrophobicContact CG1-CB 4.2Å; V127-C192 HydrophobicContact CG2-CB 4.17Å; V127-I194 HydrophobicContact CG1-CD1 4.15Å; V127-I194 HydrophobicContact CG1-CG1 3.48Å; V127-I194 VanDerWaalsContact CG1-CG1 3.48Å; V127-Y209 WeakPolarHBondContact CG1-O 3.41Å
128	A	98.9	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.6	168.4	0	0	0	0	0	111	L130 Y161 A184 W190 C192 F193 I194	A128-L130 HydrophobicContact CB-CD2 4.26Å; A128-Y161 HydrophobicContact CB-CD2 4.14Å; A128-Y161 HydrophobicContact CB-CE2 3.86Å; A128-A184 HydrophobicContact CB-CB 4.12Å; A128-W190 HydrophobicContact CB-CB 4.14Å; A128-W190 HydrophobicContact CB-CD2 3.88Å; A128-W190 HydrophobicContact CB-CG 3.67Å; A128-C192 PolarHBondContact N-O 2.69Å; A128-F193 HydrophobicContact CB-CD1 3.76Å; A128-F193 HydrophobicContact CB-CE1 3.88Å; A128-F193 WeakPolarHBondContact O-CA 3.3Å; A128-I194 PolarHBondContact O-N 3.38Å
129	I	98.9	Very high	97.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.6	173.8	-45	-59.7	0	0	0	109.2	V127 I131 L147 L151 A159 I160 Y161 I194 H196 Y209	V127-I129 HydrophobicContact CG1-CD1 3.68Å; I129-I131 HydrophobicContact CG2-CD1 4.42Å; I129-I131 HydrophobicContact CG2-CG1 4.24Å; I129-L147 HydrophobicContact CG2-CD2 4.22Å; I129-L151 HydrophobicContact CD1-CD1 4.34Å; I129-L151 HydrophobicContact CD1-CD2 4.48Å; I129-L151 HydrophobicContact CG1-CD1 3.98Å; I129-A159 PolarHBondContact N-O 3.42Å; I129-I160 HydrophobicContact CB-CG1 4.21Å; I129-I160 HydrophobicContact CG1-CG1 4.29Å; I129-Y161 PolarHBondContact O-N 3.27Å; I129-I194 HydrophobicContact CD1-CB 3.58Å; I129-I194 HydrophobicContact CD1-CG1 3.42Å; I129-I194 VanDerWaalsContact CD1-CG1 3.42Å; I129-I194 HydrophobicContact CD1-CG2 4.29Å; I129-I194 HydrophobicContact CG2-CB 4.49Å; I129-H196 HydrophobicContact CG2-CB 4.17Å; I129-Y209 HydrophobicContact CD1-CD1 4.06Å
130	L	98.9	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114	-174.3	-52.2	-177.6	0	0	0	110.6	A128 Y161 I163 L177 Y181 A184 F193 I194 F195 H196	A128-L130 HydrophobicContact CB-CD2 4.26Å; L130-Y161 HydrophobicContact CD2-CD2 3.85Å; L130-Y161 HydrophobicContact CD2-CG 4.13Å; L130-I163 HydrophobicContact CB-CD1 4.04Å; L130-I163 HydrophobicContact CD2-CD1 4.48Å; L130-L177 HydrophobicContact CB-CD2 4.2Å; L130-L177 WeakPolarHBondContact O-CD2 3Å; L130-Y181 VanDerWaalsContact CD1-N 3.35Å; L130-A184 HydrophobicContact CD2-CB 4.1Å; L130-F193 HydrophobicContact CD1-CD1 3.97Å; L130-F193 HydrophobicContact CG-CD1 4.47Å; L130-I194 PolarHBondContact N-O 3.04Å; L130-F195 HydrophobicContact CB-CD1 4.48Å; L130-F195 HydrophobicContact CD1-CD1 3.87Å; L130-F195 HydrophobicContact CD1-CE1 3.66Å; L130-H196 PolarHBondContact O-N 3.27Å
131	I	98.9	Very high	97.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.5	-175.6	-57.2	169.8	0	0	0	109.5	I129 L140 L143 I160 Y161 I163 H196 V198	I129-I131 HydrophobicContact CG2-CD1 4.42Å; I129-I131 HydrophobicContact CG2-CG1 4.24Å; I131-L140 HydrophobicContact CD1-CD1 4.41Å; I131-L143 HydrophobicContact CD1-CD2 3.73Å; I131-L143 HydrophobicContact CG1-CD2 4.43Å; I131-I160 HydrophobicContact CD1-CG2 3.6Å; I131-Y161 PolarHBondContact N-O 3.11Å; I131-I163 PolarHBondContact O-N 3.05Å; I131-H196 HydrophobicContact CG1-CB 4.21Å; I131-V198 HydrophobicContact CG2-CB 3.76Å; I131-V198 HydrophobicContact CG2-CG2 3.99Å
132	P	98.8	Very high	98	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.039	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130.3	175.3	32	-27.9	0	0	0	109	F171 R173 L176 L177 H196	P132-F171 HydrophobicContact CB-CZ 4.09Å; P132-R173 HydrophobicContact CB-CG 4.36Å; P132-R173 HydrophobicContact CG-CG 3.78Å; P132-L176 HydrophobicContact CB-CB 3.76Å; P132-L176 HydrophobicContact CB-CD1 3.95Å; P132-L177 HydrophobicContact CB-CD2 4.29Å; P132-L177 HydrophobicContact CB-CG 4.38Å; P132-L177 HydrophobicContact CG-CD2 3.8Å; P132-L177 HydrophobicContact CG-CG 4.06Å; P132-H196 WeakPolarHBondContact CD-O 3.09Å
133	H	98.4	Very high	98	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.8	-167	-177.5	-81.2	0	0	0	113.5	R136 E137 V162 I163 H164 Q165	H133-R136 PolarHBondContact NE2-O 2.58Å; H133-E137 IonicContact CE1-OE1 3.43Å; H133-E137 PolarHBondContact CE1-OE1 3.33Å; H133-E137 VanDerWaalsContact CE1-OE1 3.3Å; H133-E137 IonicContact NE2-OE1 2.89Å; H133-V162 HydrophobicContact CB-CG1 3.56Å; H133-I163 PolarHBondContact N-O 2.76Å; H133-H164 AromaticContact ND1-ND1 3.27Å; H133-H164 PolarHBondContact ND1-ND1 3.32Å; H133-H164 WeakPolarHBondContact O-CA 3.46Å; H133-Q165 PolarHBondContact O-N 3.43Å
134	R	96.9	Very high	98.1	Very high	25 Å²	25	28.9 Å²	28.9	9%	0.094	13%	0.131	C	C	.	.	S	Bend	trans	-164.2	130.4	159.2	-174.3	169.5	63.8	-176.7	-0.1	110.1	R136 Q165 G167 A169 F171	R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 WeakPolarHBondContact O-CG 3.35Å; R134-R136 PolarHBondContact O-N 2.96Å; R134-Q165 WeakPolarHBondContact CD-O 3.36Å; R134-G167 PolarHBondContact NH1-O 3.12Å; R134-A169 PolarHBondContact NH1-O 3.39Å; R134-A169 PolarHBondContact NH2-O 3.14Å; R134-F171 HydrophobicContact CB-CD2 4.05Å; R134-F171 HydrophobicContact CB-CE2 3.94Å; R134-F171 VanDerWaalsContact NH2-N 3.19Å
135	N	94.1	Very high	98.1	Very high	108 Å²	108	26.5 Å²	26.5	58%	0.578	12%	0.124	S	C	*	.	S	Bend	trans	53.7	44.3	174.3	-56.9	-16.6	0	0	0	113.3	E137	N135-E137 WeakPolarHBondContact CA-OE1 3.5Å
136	R	96.3	Very high	98.1	Very high	19 Å²	19	24.3 Å²	24.3	7%	0.072	11%	0.114	C	C	.	.			trans	-138.4	35.1	-172.7	-74.6	-62.2	-173.5	141.8	-1.6	112.7	H133 R134 R138 H139 L140 V198 H292 D295	H133-R136 PolarHBondContact NE2-O 2.58Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 WeakPolarHBondContact O-CG 3.35Å; R134-R136 PolarHBondContact O-N 2.96Å; R136-R138 VanDerWaalsContact C-N 3.27Å; R136-R138 PolarHBondContact O-N 2.84Å; R136-H139 HydrophobicContact CB-CB 4.35Å; R136-H139 PolarHBondContact NH1-CE1 2.89Å; R136-H139 PolarHBondContact NH1-ND1 3.01Å; R136-H139 PolarHBondContact NH1-NE2 3.42Å; R136-H139 VanDerWaalsContact NH1-NE2 3.16Å; R136-H139 PolarHBondContact O-N 2.68Å; R136-L140 WeakPolarHBondContact O-CB 3.28Å; R136-L140 PolarHBondContact O-N 3.22Å; R136-V198 HydrophobicContact CB-CG1 4.04Å; R136-V198 HydrophobicContact CG-CG1 4.22Å; R136-H292 VanDerWaalsContact CZ-CG 3.49Å; R136-H292 PolarHBondContact NH1-CD2 2.94Å; R136-H292 PolarHBondContact NH2-CE1 3.38Å; R136-H292 PolarHBondContact NH2-ND1 3.5Å; R136-D295 IonicContact CZ-OD1 3.66Å; R136-D295 VanDerWaalsContact CZ-OD1 3.31Å; R136-D295 IonicContact CZ-OD2 3.29Å; R136-D295 IonicContact NE-OD1 3.52Å; R136-D295 PolarHBondContact NE-OD1 3.21Å; R136-D295 IonicContact NE-OD2 3.69Å; R136-D295 PolarHBondContact NE-OD2 3.15Å; R136-D295 IonicContact NH2-OD1 2.69Å; R136-D295 PolarHBondContact NH2-OD1 3.32Å; R136-D295 IonicContact NH2-OD2 3.71Å; R136-D295 PolarHBondContact NH2-OD2 3.5Å
137	E	96.9	Very high	98.1	Very high	113 Å²	113	23.6 Å²	23.6	53%	0.528	11%	0.108	S	C	.	.	H	α-helix	trans	-61.3	-37.9	-171.9	-62.1	65.2	-133.8	0	0	111.1	H133 N135 L140 L141	H133-E137 IonicContact CE1-OE1 3.43Å; H133-E137 PolarHBondContact CE1-OE1 3.33Å; H133-E137 VanDerWaalsContact CE1-OE1 3.3Å; H133-E137 IonicContact NE2-OE1 2.89Å; N135-E137 WeakPolarHBondContact CA-OE1 3.5Å; E137-L140 PolarHBondContact O-N 3.5Å; E137-L141 WeakPolarHBondContact O-CB 3.36Å; E137-L141 PolarHBondContact O-N 2.9Å
138	R	96.9	Very high	98.1	Very high	86 Å²	86	23.6 Å²	23.6	33%	0.325	11%	0.108	S	C	.	.	H	α-helix	trans	-67.9	-42.5	177.3	-166.3	71.3	-168.4	164.5	6.1	112.8	E96 S97 L99 R136 L141 Y142	E96-R138 PolarHBondContact O-NH2 2.97Å; S97-R138 PolarHBondContact O-NH2 3.5Å; L99-R138 PolarHBondContact O-NH1 3.05Å; L99-R138 PolarHBondContact O-NH2 3.27Å; R136-R138 VanDerWaalsContact C-N 3.27Å; R136-R138 PolarHBondContact O-N 2.84Å; R138-L141 VanDerWaalsContact NH1-CD2 3.31Å; R138-L141 PolarHBondContact O-N 3.38Å; R138-Y142 HydrophobicContact CG-CD2 4.2Å; R138-Y142 HydrophobicContact CG-CE2 3.68Å; R138-Y142 PolarHBondContact NE-OH 3.25Å; R138-Y142 PolarHBondContact NH2-OH 3.39Å; R138-Y142 VanDerWaalsContact NH2-OH 3.12Å; R138-Y142 VanDerWaalsContact O-CD2 3.29Å; R138-Y142 WeakPolarHBondContact O-CD2 3.44Å; R138-Y142 PolarHBondContact O-N 2.92Å; R138-Y142 VanDerWaalsContact O-N 3.09Å
139	H	98.4	Very high	98.1	Very high	24 Å²	24	25.4 Å²	25.4	11%	0.111	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-45.4	175.8	-68.2	74.8	0	0	0	110.6	R136 L141 Y142 L143 V198 V290	R136-H139 HydrophobicContact CB-CB 4.35Å; R136-H139 PolarHBondContact NH1-CE1 2.89Å; R136-H139 PolarHBondContact NH1-ND1 3.01Å; R136-H139 PolarHBondContact NH1-NE2 3.42Å; R136-H139 VanDerWaalsContact NH1-NE2 3.16Å; R136-H139 PolarHBondContact O-N 2.68Å; H139-L141 VanDerWaalsContact C-N 3.33Å; H139-L141 PolarHBondContact O-N 3.02Å; H139-Y142 PolarHBondContact O-N 3.49Å; H139-L143 WeakPolarHBondContact O-CB 3.48Å; H139-L143 PolarHBondContact O-N 3.4Å; H139-V198 HydrophobicContact CB-CG1 4.19Å; H139-V198 HydrophobicContact CB-CG2 4.12Å; H139-V290 PolarHBondContact NE2-O 3.44Å; H139-V290 VanDerWaalsContact NE2-O 3.13Å
140	L	98.7	Very high	98.1	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.047	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-45.3	176.2	179.7	61.8	0	0	0	111.2	I131 R136 E137 Y142 L143 L144 V162 V198	I131-L140 HydrophobicContact CD1-CD1 4.41Å; R136-L140 WeakPolarHBondContact O-CB 3.28Å; R136-L140 PolarHBondContact O-N 3.22Å; E137-L140 PolarHBondContact O-N 3.5Å; L140-Y142 PolarHBondContact O-N 3.14Å; L140-L143 PolarHBondContact O-N 2.95Å; L140-L144 HydrophobicContact CD1-CD1 4.14Å; L140-L144 HydrophobicContact CD1-CD2 4.36Å; L140-L144 HydrophobicContact CD1-CG 4.02Å; L140-L144 HydrophobicContact CG-CD1 3.96Å; L140-L144 HydrophobicContact CG-CG 4.27Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.19Å; L140-L144 PolarHBondContact O-N 3.08Å; L140-V162 HydrophobicContact CD1-CG2 3.8Å; L140-V162 HydrophobicContact CD2-CG1 4.09Å; L140-V162 HydrophobicContact CD2-CG2 4.09Å; L140-V198 HydrophobicContact CB-CG2 3.81Å; L140-V198 HydrophobicContact CD1-CG2 4.21Å
141	L	98.6	Very high	98.1	Very high	17 Å²	17	25.7 Å²	25.7	9%	0.089	12%	0.122	C	C	.	.	H	α-helix	trans	-58	-48	177.1	177	65.2	0	0	0	112.2	L99 L101 V104 E137 R138 H139 L143 L144 H145	L99-L141 HydrophobicContact CD2-CD2 4.37Å; L99-L141 HydrophobicContact CD2-CG 4.06Å; L99-L141 HydrophobicContact CG-CD2 4.24Å; L99-L141 HydrophobicContact CG-CG 4.32Å; L99-L141 VanDerWaalsContact O-CD2 3.31Å; L99-L141 WeakPolarHBondContact O-CD2 3.31Å; L101-L141 HydrophobicContact CB-CD1 4.21Å; L101-L141 HydrophobicContact CD1-CD1 3.95Å; V104-L141 HydrophobicContact CG2-CD1 3.7Å; E137-L141 WeakPolarHBondContact O-CB 3.36Å; E137-L141 PolarHBondContact O-N 2.9Å; R138-L141 VanDerWaalsContact NH1-CD2 3.31Å; R138-L141 PolarHBondContact O-N 3.38Å; H139-L141 VanDerWaalsContact C-N 3.33Å; H139-L141 PolarHBondContact O-N 3.02Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.17Å; L141-L144 PolarHBondContact O-N 3.46Å; L141-H145 WeakPolarHBondContact O-CB 3.48Å; L141-H145 PolarHBondContact O-N 3.46Å
142	Y	98.6	Very high	98.1	Very high	21 Å²	21	27.1 Å²	27.1	8%	0.082	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-39.3	176.6	-69.2	-40.4	0	0	0	112.3	F95 E96 L99 R138 H139 L140 H146 V290	F95-Y142 HydrophobicContact CB-CD1 4.38Å; F95-Y142 HydrophobicContact CB-CE1 4.11Å; F95-Y142 HydrophobicContact CB-CE2 4.19Å; F95-Y142 HydrophobicContact CD1-CD1 4.01Å; F95-Y142 AromaticContact CD1-CD2 3.9Å; F95-Y142 HydrophobicContact CD1-CD2 3.9Å; F95-Y142 HydrophobicContact CD1-CE2 4.41Å; F95-Y142 AromaticContact CD1-CG 3.68Å; F95-Y142 HydrophobicContact CD1-CG 3.68Å; F95-Y142 HydrophobicContact CE1-CG 4.45Å; F95-Y142 PolarHBondContact O-OH 3.41Å; E96-Y142 WeakPolarHBondContact O-CE1 3.25Å; E96-Y142 PolarHBondContact O-OH 3.06Å; L99-Y142 HydrophobicContact CD2-CD1 3.85Å; L99-Y142 HydrophobicContact CD2-CE1 4.14Å; R138-Y142 HydrophobicContact CG-CD2 4.2Å; R138-Y142 HydrophobicContact CG-CE2 3.68Å; R138-Y142 PolarHBondContact NE-OH 3.25Å; R138-Y142 PolarHBondContact NH2-OH 3.39Å; R138-Y142 VanDerWaalsContact NH2-OH 3.12Å; R138-Y142 VanDerWaalsContact O-CD2 3.29Å; R138-Y142 WeakPolarHBondContact O-CD2 3.44Å; R138-Y142 PolarHBondContact O-N 2.92Å; R138-Y142 VanDerWaalsContact O-N 3.09Å; H139-Y142 PolarHBondContact O-N 3.49Å; L140-Y142 PolarHBondContact O-N 3.14Å; Y142-H146 PolarHBondContact O-CD2 3.06Å; Y142-H146 PolarHBondContact O-N 2.95Å; Y142-V290 HydrophobicContact CD2-CG1 3.96Å; Y142-V290 HydrophobicContact CE2-CG1 4.37Å
143	L	98.8	Very high	98.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-49.9	176.8	-179.7	59.1	0	0	0	110.9	I131 H139 L140 L141 H145 H146 L147 H196 V198 V201	I131-L143 HydrophobicContact CD1-CD2 3.73Å; I131-L143 HydrophobicContact CG1-CD2 4.43Å; H139-L143 WeakPolarHBondContact O-CB 3.48Å; H139-L143 PolarHBondContact O-N 3.4Å; L140-L143 PolarHBondContact O-N 2.95Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.17Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.32Å; L143-H146 PolarHBondContact O-N 2.93Å; L143-L147 HydrophobicContact CD1-CB 4.03Å; L143-L147 HydrophobicContact CD1-CD2 4.08Å; L143-L147 HydrophobicContact CD1-CG 4.5Å; L143-L147 HydrophobicContact CG-CB 4.35Å; L143-L147 HydrophobicContact CG-CD2 4.18Å; L143-L147 WeakPolarHBondContact O-CA 3.47Å; L143-L147 WeakPolarHBondContact O-CB 3.34Å; L143-L147 PolarHBondContact O-N 2.77Å; L143-H196 VanDerWaalsContact CD1-CE1 3.47Å; L143-H196 WeakPolarHBondContact CD1-CE1 3.28Å; L143-V198 HydrophobicContact CD2-CG2 4.47Å; L143-V201 HydrophobicContact CD1-CG2 4.2Å
144	L	98.8	Very high	98.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-43.4	179.7	-66.9	172.5	0	0	0	111.9	L101 V104 L140 L141 H146 L147 H148 I160 L335 Y336	L101-L144 HydrophobicContact CD1-CD1 4.28Å; V104-L144 HydrophobicContact CG1-CB 4.35Å; L140-L144 HydrophobicContact CD1-CD1 4.14Å; L140-L144 HydrophobicContact CD1-CD2 4.36Å; L140-L144 HydrophobicContact CD1-CG 4.02Å; L140-L144 HydrophobicContact CG-CD1 3.96Å; L140-L144 HydrophobicContact CG-CG 4.27Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.19Å; L140-L144 PolarHBondContact O-N 3.08Å; L141-L144 PolarHBondContact O-N 3.46Å; L144-H146 VanDerWaalsContact C-N 3.27Å; L144-H146 PolarHBondContact O-N 3.17Å; L144-L147 PolarHBondContact O-N 2.9Å; L144-H148 PolarHBondContact O-CD2 2.96Å; L144-H148 PolarHBondContact O-N 2.95Å; L144-I160 HydrophobicContact CD2-CD1 3.83Å; L144-I160 HydrophobicContact CD2-CG2 4.23Å; L144-L335 HydrophobicContact CD1-CB 4.37Å; L144-Y336 HydrophobicContact CD1-CD1 3.7Å; L144-Y336 HydrophobicContact CD1-CE1 4.03Å
145	H	98.6	Very high	98.2	Very high	32 Å²	32	29.2 Å²	29.2	15%	0.148	14%	0.136	C	C	.	.	H	α-helix	trans	-54.7	-41.4	177.7	176.7	-134.7	0	0	0	112.9	L99 V104 E107 L141 L143 P149	L99-H145 HydrophobicContact CD2-CB 3.82Å; V104-H145 HydrophobicContact CG1-CB 4.4Å; V104-H145 HydrophobicContact CG2-CB 3.75Å; E107-H145 IonicContact OE2-CD2 3.91Å; E107-H145 PolarHBondContact OE2-CD2 2.99Å; E107-H145 VanDerWaalsContact OE2-CD2 3.29Å; E107-H145 IonicContact OE2-NE2 2.65Å; E107-H145 PolarHBondContact OE2-NE2 3.39Å; L141-H145 WeakPolarHBondContact O-CB 3.48Å; L141-H145 PolarHBondContact O-N 3.46Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.32Å; H145-P149 VanDerWaalsContact O-CD 3.28Å; H145-P149 WeakPolarHBondContact O-CD 3.38Å; H145-P149 WeakPolarHBondContact O-CG 3.14Å
146	H	98.8	Very high	98.4	Very high	26 Å²	26	24.2 Å²	24.2	12%	0.12	11%	0.109	C	C	.	.	H	α-helix	trans	-91.4	-34.2	-178.6	-68.5	-60.6	0	0	0	113.4	L93 T94 Y142 L143 L144 F150 V201	L93-H146 HydrophobicContact CD2-CB 4.3Å; T94-H146 PolarHBondContact N-CE1 3.23Å; T94-H146 PolarHBondContact O-CE1 3.01Å; T94-H146 PolarHBondContact O-NE2 2.85Å; Y142-H146 PolarHBondContact O-CD2 3.06Å; Y142-H146 PolarHBondContact O-N 2.95Å; L143-H146 PolarHBondContact O-N 2.93Å; L144-H146 VanDerWaalsContact C-N 3.27Å; L144-H146 PolarHBondContact O-N 3.17Å; H146-F150 WeakPolarHBondContact O-CB 3.17Å; H146-F150 PolarHBondContact O-N 2.95Å; H146-V201 HydrophobicContact CB-CG1 3.39Å
147	L	98.8	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-77.2	-36.9	-170.9	-170.4	64.5	0	0	0	112.1	I129 L143 L144 F150 L151 I160 P202 Y209	I129-L147 HydrophobicContact CG2-CD2 4.22Å; L143-L147 HydrophobicContact CD1-CB 4.03Å; L143-L147 HydrophobicContact CD1-CD2 4.08Å; L143-L147 HydrophobicContact CD1-CG 4.5Å; L143-L147 HydrophobicContact CG-CB 4.35Å; L143-L147 HydrophobicContact CG-CD2 4.18Å; L143-L147 WeakPolarHBondContact O-CA 3.47Å; L143-L147 WeakPolarHBondContact O-CB 3.34Å; L143-L147 PolarHBondContact O-N 2.77Å; L144-L147 PolarHBondContact O-N 2.9Å; L147-F150 HydrophobicContact CD1-CD1 4.04Å; L147-F150 WeakPolarHBondContact O-CB 3.35Å; L147-F150 PolarHBondContact O-N 2.86Å; L147-L151 HydrophobicContact CD1-CD1 4.16Å; L147-L151 HydrophobicContact CD1-CD2 4.3Å; L147-L151 HydrophobicContact CD1-CG 4.01Å; L147-L151 HydrophobicContact CD2-CD1 4.21Å; L147-L151 HydrophobicContact CG-CD1 3.72Å; L147-L151 HydrophobicContact CG-CG 4.03Å; L147-L151 WeakPolarHBondContact O-CB 3.27Å; L147-L151 VanDerWaalsContact O-CG 3.25Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 3.48Å; L147-I160 HydrophobicContact CD2-CD1 4.17Å; L147-P202 HydrophobicContact CD1-CG 4.25Å; L147-Y209 HydrophobicContact CD1-CD1 4.33Å; L147-Y209 HydrophobicContact CD1-CE1 3.69Å
148	H	98.8	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.8	-57.1	177.5	-78.1	-60.1	0	0	0	113.6	N108 L144 F150 L151 Q152 Y158 I160 L335	N108-H148 HydrophobicContact CB-CB 4.33Å; N108-H148 WeakPolarHBondContact OD1-CB 3.33Å; L144-H148 PolarHBondContact O-CD2 2.96Å; L144-H148 PolarHBondContact O-N 2.95Å; H148-F150 PolarHBondContact O-N 3.46Å; H148-L151 PolarHBondContact O-N 3.45Å; H148-Q152 WeakPolarHBondContact O-CB 3.33Å; H148-Q152 WeakPolarHBondContact O-CG 3.31Å; H148-Q152 PolarHBondContact O-N 3.27Å; H148-Q152 PolarHBondContact O-NE2 3.06Å; H148-Y158 AromaticContact ND1-CE2 3.79Å; H148-Y158 AromaticContact ND1-CZ 3.81Å; H148-Y158 PolarHBondContact ND1-OH 3.35Å; H148-Y158 PolarHBondContact O-OH 3.05Å; H148-I160 VanDerWaalsContact CE1-CD1 3.42Å; H148-I160 WeakPolarHBondContact CE1-CD1 3.41Å; H148-L335 PolarHBondContact CE1-O 3.33Å; H148-L335 PolarHBondContact NE2-O 2.83Å; H148-L335 VanDerWaalsContact NE2-O 3.14Å
149	P	98.6	Very high	98.7	Very high	38 Å²	38	14.2 Å²	14.2	25%	0.247	7%	0.067	C	C	.	.	H	α-helix	trans	-65.4	-29.5	178.9	26.9	-35.7	0	0	0	111.8	H145 R153	H145-P149 VanDerWaalsContact O-CD 3.28Å; H145-P149 WeakPolarHBondContact O-CD 3.38Å; H145-P149 WeakPolarHBondContact O-CG 3.14Å; P149-R153 VanDerWaalsContact C-NH1 3.3Å; P149-R153 WeakPolarHBondContact O-CG 3.4Å; P149-R153 PolarHBondContact O-N 3.17Å; P149-R153 VanDerWaalsContact O-N 3.16Å; P149-R153 PolarHBondContact O-NH1 2.83Å
150	F	98.8	Very high	98.7	Very high	7 Å²	7	13.1 Å²	13.1	3%	0.031	6%	0.062	C	C	.	.	H	α-helix	trans	-60.8	-48.5	172.8	174.9	-79.2	0	0	0	112.3	H146 L147 H148 Q154 P202 N204 D205 N207 Y209	H146-F150 WeakPolarHBondContact O-CB 3.17Å; H146-F150 PolarHBondContact O-N 2.95Å; L147-F150 HydrophobicContact CD1-CD1 4.04Å; L147-F150 WeakPolarHBondContact O-CB 3.35Å; L147-F150 PolarHBondContact O-N 2.86Å; H148-F150 PolarHBondContact O-N 3.46Å; F150-Q154 VanDerWaalsContact CZ-NE2 3.33Å; F150-P202 HydrophobicContact CD1-CG 4.21Å; F150-P202 HydrophobicContact CD2-CB 4.18Å; F150-P202 HydrophobicContact CD2-CG 3.69Å; F150-P202 HydrophobicContact CE1-CG 4.08Å; F150-P202 HydrophobicContact CE2-CB 3.51Å; F150-P202 HydrophobicContact CE2-CG 3.49Å; F150-P202 VanDerWaalsContact CE2-CG 3.49Å; F150-P202 HydrophobicContact CG-CG 4.05Å; F150-P202 HydrophobicContact CZ-CB 3.73Å; F150-P202 HydrophobicContact CZ-CG 3.72Å; F150-N204 WeakPolarHBondContact CE2-O 3.49Å; F150-D205 HydrophobicContact CD2-CB 3.79Å; F150-D205 HydrophobicContact CE2-CB 3.86Å; F150-D205 HydrophobicContact CG-CB 4.45Å; F150-N207 HydrophobicContact CZ-CB 4.43Å; F150-N207 VanDerWaalsContact CZ-O 3.31Å; F150-N207 WeakPolarHBondContact CZ-O 3.4Å; F150-Y209 AromaticContact CE1-CD2 3.42Å; F150-Y209 HydrophobicContact CE1-CD2 3.42Å; F150-Y209 VanDerWaalsContact CE1-CD2 3.42Å; F150-Y209 AromaticContact CE1-CE2 3.45Å; F150-Y209 HydrophobicContact CE1-CE2 3.45Å; F150-Y209 VanDerWaalsContact CE1-CE2 3.45Å; F150-Y209 AromaticContact CE1-CG 3.97Å; F150-Y209 HydrophobicContact CE1-CG 3.97Å; F150-Y209 AromaticContact CZ-CD2 3.85Å; F150-Y209 HydrophobicContact CZ-CD2 3.85Å; F150-Y209 AromaticContact CZ-CE2 3.61Å; F150-Y209 HydrophobicContact CZ-CE2 3.61Å
151	L	98.8	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-73.2	-36.7	-179.4	-65.4	173.1	0	0	0	112.2	I129 L147 H148 R153 Q154 L156 Y158 Y209	I129-L151 HydrophobicContact CD1-CD1 4.34Å; I129-L151 HydrophobicContact CD1-CD2 4.48Å; I129-L151 HydrophobicContact CG1-CD1 3.98Å; L147-L151 HydrophobicContact CD1-CD1 4.16Å; L147-L151 HydrophobicContact CD1-CD2 4.3Å; L147-L151 HydrophobicContact CD1-CG 4.01Å; L147-L151 HydrophobicContact CD2-CD1 4.21Å; L147-L151 HydrophobicContact CG-CD1 3.72Å; L147-L151 HydrophobicContact CG-CG 4.03Å; L147-L151 WeakPolarHBondContact O-CB 3.27Å; L147-L151 VanDerWaalsContact O-CG 3.25Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 3.48Å; H148-L151 PolarHBondContact O-N 3.45Å; L151-R153 VanDerWaalsContact C-N 3.33Å; L151-R153 PolarHBondContact O-N 2.89Å; L151-Q154 WeakPolarHBondContact O-CB 3.43Å; L151-Q154 PolarHBondContact O-N 3.05Å; L151-L156 HydrophobicContact CD2-CD1 3.88Å; L151-Y158 HydrophobicContact CB-CD1 3.77Å; L151-Y158 HydrophobicContact CB-CE1 3.44Å; L151-Y158 VanDerWaalsContact CB-CE1 3.44Å; L151-Y158 HydrophobicContact CB-CE2 4.33Å; L151-Y158 HydrophobicContact CB-CG 4.31Å; L151-Y158 HydrophobicContact CD1-CD1 4.31Å; L151-Y158 HydrophobicContact CD1-CD2 3.69Å; L151-Y158 HydrophobicContact CD1-CE1 4.28Å; L151-Y158 HydrophobicContact CD1-CE2 3.68Å; L151-Y158 HydrophobicContact CD1-CG 4.03Å; L151-Y209 HydrophobicContact CD2-CD1 3.68Å; L151-Y209 HydrophobicContact CD2-CG 3.79Å
152	Q	98.8	Very high	98.8	Very high	30 Å²	30	12 Å²	12	14%	0.14	6%	0.056	C	C	.	.	H	α-helix	trans	-60.9	-41.8	176.1	-70.3	163.3	27.2	0	0	111.5	N108 Y116 H148 Q154 Q155 Y158	N108-Q152 PolarHBondContact OD1-NE2 3.02Å; Y116-Q152 HydrophobicContact CD1-CG 3.98Å; Y116-Q152 HydrophobicContact CD2-CG 3.97Å; Y116-Q152 HydrophobicContact CE1-CB 4.13Å; Y116-Q152 HydrophobicContact CE1-CG 3.87Å; Y116-Q152 HydrophobicContact CE2-CG 3.87Å; Y116-Q152 HydrophobicContact CG-CG 4.01Å; H148-Q152 WeakPolarHBondContact O-CB 3.33Å; H148-Q152 WeakPolarHBondContact O-CG 3.31Å; H148-Q152 PolarHBondContact O-N 3.27Å; H148-Q152 PolarHBondContact O-NE2 3.06Å; Q152-Q154 PolarHBondContact O-N 3.18Å; Q152-Q155 PolarHBondContact O-N 3.33Å; Q152-Y158 HydrophobicContact CG-CE1 4.28Å
153	R	98.7	Very high	98.8	Very high	57 Å²	57	11 Å²	11	22%	0.215	5%	0.052	C	C	.	.	H	α-helix	trans	-65.3	-19.7	174.8	-71.6	-172.7	-49.1	-91.6	5.8	113.2	S84 L86 L87 P149 L151 Q155 D205	S84-R153 VanDerWaalsContact CB-O 3.23Å; S84-R153 WeakPolarHBondContact CB-O 3.48Å; S84-R153 PolarHBondContact OG-O 3.03Å; L86-R153 HydrophobicContact CB-CB 4.14Å; L86-R153 HydrophobicContact CB-CG 4.24Å; L86-R153 VanDerWaalsContact O-CD 3.29Å; L86-R153 WeakPolarHBondContact O-CD 3.44Å; L87-R153 WeakPolarHBondContact CD2-O 3.46Å; P149-R153 VanDerWaalsContact C-NH1 3.3Å; P149-R153 WeakPolarHBondContact O-CG 3.4Å; P149-R153 PolarHBondContact O-N 3.17Å; P149-R153 VanDerWaalsContact O-N 3.16Å; P149-R153 PolarHBondContact O-NH1 2.83Å; L151-R153 VanDerWaalsContact C-N 3.33Å; L151-R153 PolarHBondContact O-N 2.89Å; R153-Q155 PolarHBondContact O-N 3.15Å; R153-D205 IonicContact CZ-OD2 3.68Å; R153-D205 IonicContact NE-OD2 3.16Å; R153-D205 PolarHBondContact NE-OD2 3.45Å; R153-D205 IonicContact NH2-OD2 2.95Å; R153-D205 PolarHBondContact NH2-OD2 3.28Å
154	Q	98.7	Very high	98.8	Very high	14 Å²	14	13.2 Å²	13.2	7%	0.065	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.4	173.2	-66.6	-179	6.7	0	0	113.1	L87 F150 L151 Q152 L156 D205 N207 L208	L87-Q154 HydrophobicContact CD2-CG 3.79Å; F150-Q154 VanDerWaalsContact CZ-NE2 3.33Å; L151-Q154 WeakPolarHBondContact O-CB 3.43Å; L151-Q154 PolarHBondContact O-N 3.05Å; Q152-Q154 PolarHBondContact O-N 3.18Å; Q154-L156 HydrophobicContact CB-CD1 3.99Å; Q154-L156 HydrophobicContact CB-CD2 4.35Å; Q154-L156 HydrophobicContact CB-CG 3.77Å; Q154-L156 PolarHBondContact O-N 3.04Å; Q154-D205 PolarHBondContact NE2-O 3.47Å; Q154-N207 PolarHBondContact NE2-O 2.95Å; Q154-L208 HydrophobicContact CG-CD2 4.13Å
155	Q	98.6	Very high	98.8	Very high	11 Å²	11	13.2 Å²	13.2	5%	0.051	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.9	179.8	-61.9	-176.4	-80.3	0	0	113.3	C80 S84 L86 P118 C121 Q152 R153	C80-Q155 HydrophobicContact CB-CB 4.18Å; S84-Q155 PolarHBondContact OG-OE1 3.28Å; L86-Q155 HydrophobicContact CD1-CG 3.88Å; P118-Q155 HydrophobicContact CG-CB 4.09Å; C121-Q155 PolarHBondContact SG-NE2 2.95Å; Q152-Q155 PolarHBondContact O-N 3.33Å; R153-Q155 PolarHBondContact O-N 3.15Å
156	L	98.6	Very high	98.7	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.021	6%	0.064	C	C	.	.			trans	-87	146.3	178.7	-56.1	176	0	0	0	111	Y116 H125 V127 L151 Q154 Y158 I210	Y116-L156 WeakPolarHBondContact CD1-O 3.35Å; Y116-L156 WeakPolarHBondContact CE1-O 3.41Å; H125-L156 HydrophobicContact CB-CD2 4.04Å; V127-L156 HydrophobicContact CG2-CD1 4.26Å; V127-L156 HydrophobicContact CG2-CD2 4.28Å; L151-L156 HydrophobicContact CD2-CD1 3.88Å; Q154-L156 HydrophobicContact CB-CD1 3.99Å; Q154-L156 HydrophobicContact CB-CD2 4.35Å; Q154-L156 HydrophobicContact CB-CG 3.77Å; Q154-L156 PolarHBondContact O-N 3.04Å; L156-Y158 HydrophobicContact CB-CD1 4.18Å; L156-I210 HydrophobicContact CD2-CG2 3.44Å; L156-I210 VanDerWaalsContact CD2-CG2 3.44Å
157	H	98.8	Very high	98.6	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.037	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.3	152.1	171	-132.7	0	0	0	106.8	E115 Y116 E117 A123 H125 S126 V127 F188 W190	E115-H157 IonicContact OE1-NE2 3.18Å; E115-H157 PolarHBondContact OE1-NE2 3.39Å; Y116-H157 CarbonylContact O-C 3.46Å; Y116-H157 WeakPolarHBondContact O-CA 3.22Å; Y116-H157 PolarHBondContact O-CD2 2.99Å; E117-H157 HydrophobicContact CG-CB 4.25Å; A123-H157 HydrophobicContact CB-CB 3.69Å; H125-H157 PolarHBondContact O-N 3.47Å; H125-H157 VanDerWaalsContact O-N 3.11Å; S126-H157 CarbonylContact C-O 3.56Å; S126-H157 VanDerWaalsContact CA-O 3.28Å; S126-H157 WeakPolarHBondContact CA-O 3.47Å; S126-H157 WeakPolarHBondContact CB-ND1 3.44Å; S126-H157 PolarHBondContact OG-ND1 2.91Å; V127-H157 PolarHBondContact N-O 3.34Å; H157-F188 AromaticContact CE1-CD1 3.98Å; H157-F188 AromaticContact CE1-CE1 3.59Å; H157-F188 AromaticContact CE1-CE2 3.89Å; H157-F188 AromaticContact CE1-CZ 3.54Å; H157-F188 AromaticContact ND1-CE1 3.85Å; H157-F188 AromaticContact ND1-CZ 3.93Å; H157-W190 AromaticContact CE1-CH2 3.67Å; H157-W190 AromaticContact CE1-CZ3 3.55Å; H157-W190 AromaticContact ND1-CZ3 3.75Å; H157-W190 AromaticContact NE2-CH2 3.76Å; H157-W190 AromaticContact NE2-CZ3 3.95Å
158	Y	98.9	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.3	-177.3	75.4	-92.9	0	0	0	113.4	E115 Y116 V127 H148 L151 Q152 L156 I160	E115-Y158 CarbonylContact C-O 3.58Å; E115-Y158 VanDerWaalsContact CA-O 3.29Å; E115-Y158 WeakPolarHBondContact CA-O 3.34Å; Y116-Y158 AromaticContact CD1-CD1 3.77Å; Y116-Y158 HydrophobicContact CD1-CD1 3.77Å; Y116-Y158 AromaticContact CD1-CE1 3.35Å; Y116-Y158 HydrophobicContact CD1-CE1 3.35Å; Y116-Y158 HydrophobicContact CE1-CE1 4.32Å; Y116-Y158 HydrophobicContact CG-CD1 4.39Å; Y116-Y158 AromaticContact CG-CE1 3.76Å; Y116-Y158 HydrophobicContact CG-CE1 3.76Å; Y116-Y158 PolarHBondContact N-O 3.05Å; Y116-Y158 PolarHBondContact O-N 2.8Å; V127-Y158 WeakPolarHBondContact O-CA 3.25Å; V127-Y158 WeakPolarHBondContact O-CB 3.35Å; H148-Y158 AromaticContact ND1-CE2 3.79Å; H148-Y158 AromaticContact ND1-CZ 3.81Å; H148-Y158 PolarHBondContact ND1-OH 3.35Å; H148-Y158 PolarHBondContact O-OH 3.05Å; L151-Y158 HydrophobicContact CB-CD1 3.77Å; L151-Y158 HydrophobicContact CB-CE1 3.44Å; L151-Y158 VanDerWaalsContact CB-CE1 3.44Å; L151-Y158 HydrophobicContact CB-CE2 4.33Å; L151-Y158 HydrophobicContact CB-CG 4.31Å; L151-Y158 HydrophobicContact CD1-CD1 4.31Å; L151-Y158 HydrophobicContact CD1-CD2 3.69Å; L151-Y158 HydrophobicContact CD1-CE1 4.28Å; L151-Y158 HydrophobicContact CD1-CE2 3.68Å; L151-Y158 HydrophobicContact CD1-CG 4.03Å; Q152-Y158 HydrophobicContact CG-CE1 4.28Å; L156-Y158 HydrophobicContact CB-CD1 4.18Å; Y158-I160 HydrophobicContact CD2-CG1 4.07Å; Y158-I160 HydrophobicContact CE2-CD1 4.18Å; Y158-I160 HydrophobicContact CE2-CG1 3.97Å
159	A	98.9	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.8	164	0	0	0	0	0	111.5	G114 E115 V127 I129 Y161 W190	G114-A159 VanDerWaalsContact O-CA 3.25Å; G114-A159 WeakPolarHBondContact O-CA 3.29Å; E115-A159 HydrophobicContact CB-CB 4.3Å; E115-A159 HydrophobicContact CG-CB 4.22Å; V127-A159 PolarHBondContact O-N 3.09Å; V127-A159 VanDerWaalsContact O-N 3.14Å; I129-A159 PolarHBondContact N-O 3.42Å; A159-Y161 HydrophobicContact CB-CD2 4.44Å; A159-Y161 HydrophobicContact CB-CE2 3.71Å; A159-W190 HydrophobicContact CB-CH2 3.53Å; A159-W190 HydrophobicContact CB-CZ2 3.4Å
160	I	98.9	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.5	174.1	-59.1	-176.1	0	0	0	109.4	G114 I129 I131 L144 L147 H148 Y158 V162 Y336 V337	G114-I160 PolarHBondContact O-N 2.74Å; I129-I160 HydrophobicContact CB-CG1 4.21Å; I129-I160 HydrophobicContact CG1-CG1 4.29Å; I131-I160 HydrophobicContact CD1-CG2 3.6Å; L144-I160 HydrophobicContact CD2-CD1 3.83Å; L144-I160 HydrophobicContact CD2-CG2 4.23Å; L147-I160 HydrophobicContact CD2-CD1 4.17Å; H148-I160 VanDerWaalsContact CE1-CD1 3.42Å; H148-I160 WeakPolarHBondContact CE1-CD1 3.41Å; Y158-I160 HydrophobicContact CD2-CG1 4.07Å; Y158-I160 HydrophobicContact CE2-CD1 4.18Å; Y158-I160 HydrophobicContact CE2-CG1 3.97Å; I160-V162 HydrophobicContact CG2-CG2 4.37Å; I160-Y336 CarbonylContact O-C 3.55Å; I160-Y336 WeakPolarHBondContact O-CA 3.49Å; I160-Y336 WeakPolarHBondContact O-CB 3.43Å; I160-V337 PolarHBondContact O-N 3.36Å
161	Y	98.9	Very high	98	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.8	173.9	-59.6	-89.3	0	0	0	109.8	A128 I129 L130 I131 A159 I163 A184 D187 W190 V337 I339	A128-Y161 HydrophobicContact CB-CD2 4.14Å; A128-Y161 HydrophobicContact CB-CE2 3.86Å; I129-Y161 PolarHBondContact O-N 3.27Å; L130-Y161 HydrophobicContact CD2-CD2 3.85Å; L130-Y161 HydrophobicContact CD2-CG 4.13Å; I131-Y161 PolarHBondContact N-O 3.11Å; A159-Y161 HydrophobicContact CB-CD2 4.44Å; A159-Y161 HydrophobicContact CB-CE2 3.71Å; Y161-I163 WeakPolarHBondContact O-CD1 3.45Å; Y161-A184 HydrophobicContact CD2-CB 4.05Å; Y161-A184 HydrophobicContact CE1-CB 4.31Å; Y161-A184 HydrophobicContact CE2-CB 3.74Å; Y161-A184 HydrophobicContact CG-CB 4.45Å; Y161-D187 HydrophobicContact CE1-CB 4.4Å; Y161-D187 WeakPolarHBondContact CE1-OD2 3.49Å; Y161-D187 PolarHBondContact OH-OD2 2.94Å; Y161-W190 HydrophobicContact CE2-CZ2 4.18Å; Y161-W190 AromaticContact CE2-NE1 3.77Å; Y161-W190 AromaticContact CZ-NE1 3.75Å; Y161-W190 WeakPolarHBondContact OH-CZ2 3.04Å; Y161-W190 PolarHBondContact OH-NE1 3.49Å; Y161-V337 CarbonylContact C-O 3.57Å; Y161-V337 WeakPolarHBondContact CA-O 3.32Å; Y161-V337 HydrophobicContact CD1-CB 3.73Å; Y161-V337 HydrophobicContact CD1-CG1 3.99Å; Y161-V337 HydrophobicContact CD1-CG2 4.19Å; Y161-V337 HydrophobicContact CE1-CB 4.04Å; Y161-V337 HydrophobicContact CE1-CG1 4.16Å; Y161-V337 HydrophobicContact CE1-CG2 4.05Å; Y161-I339 HydrophobicContact CD1-CD1 3.8Å
162	V	98.9	Very high	98	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.1	172.2	179.8	0	0	0	0	107.9	H133 L140 I160 H164 Y336 V337 I339	H133-V162 HydrophobicContact CB-CG1 3.56Å; L140-V162 HydrophobicContact CD1-CG2 3.8Å; L140-V162 HydrophobicContact CD2-CG1 4.09Å; L140-V162 HydrophobicContact CD2-CG2 4.09Å; I160-V162 HydrophobicContact CG2-CG2 4.37Å; V162-H164 PolarHBondContact O-N 2.83Å; V162-Y336 HydrophobicContact CB-CD2 3.71Å; V162-Y336 HydrophobicContact CB-CE2 4.07Å; V162-Y336 HydrophobicContact CG2-CD2 3.39Å; V162-Y336 HydrophobicContact CG2-CE2 4Å; V162-Y336 HydrophobicContact CG2-CG 3.81Å; V162-V337 PolarHBondContact N-O 3.24Å; V162-I339 PolarHBondContact O-N 3.19Å
163	I	98.9	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	97.6	-177.6	-54.3	88.3	0	0	0	108.3	L130 I131 H133 Y161 L176 V179 G180 I339 V341	L130-I163 HydrophobicContact CB-CD1 4.04Å; L130-I163 HydrophobicContact CD2-CD1 4.48Å; I131-I163 PolarHBondContact O-N 3.05Å; H133-I163 PolarHBondContact N-O 2.76Å; Y161-I163 WeakPolarHBondContact O-CD1 3.45Å; I163-L176 HydrophobicContact CB-CB 4.4Å; I163-L176 HydrophobicContact CG2-CB 4Å; I163-L176 HydrophobicContact CG2-CD2 3.75Å; I163-L176 HydrophobicContact CG2-CG 4.46Å; I163-V179 HydrophobicContact CG2-CB 4.24Å; I163-V179 HydrophobicContact CG2-CG1 3.95Å; I163-G180 VanDerWaalsContact CG1-CA 3.48Å; I163-I339 CarbonylContact C-O 3.52Å; I163-I339 WeakPolarHBondContact CA-O 3.43Å; I163-V341 HydrophobicContact CG2-CG2 3.95Å
164	H	98.8	Very high	98	Very high	46 Å²	46	20.6 Å²	20.6	21%	0.213	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.5	-176.4	-173.3	80.6	0	0	0	111.5	H133 V162 A166 I339 T340 V341	H133-H164 AromaticContact ND1-ND1 3.27Å; H133-H164 PolarHBondContact ND1-ND1 3.32Å; H133-H164 WeakPolarHBondContact O-CA 3.46Å; V162-H164 PolarHBondContact O-N 2.83Å; H164-A166 PolarHBondContact O-N 3.22Å; H164-I339 PolarHBondContact N-O 2.81Å; H164-T340 WeakPolarHBondContact O-CA 3.33Å; H164-V341 PolarHBondContact O-N 3.15Å
165	Q	98.6	Very high	98	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	113.8	174.5	-175.6	174.1	-30.2	0	0	110.9	H133 R134 T170 F171 L176 I343	H133-Q165 PolarHBondContact O-N 3.43Å; R134-Q165 WeakPolarHBondContact CD-O 3.36Å; Q165-T170 PolarHBondContact NE2-O 3.29Å; Q165-F171 HydrophobicContact CB-CD2 4.39Å; Q165-F171 HydrophobicContact CB-CE2 4.38Å; Q165-L176 HydrophobicContact CB-CD1 3.88Å; Q165-L176 HydrophobicContact CB-CD2 3.81Å; Q165-L176 HydrophobicContact CB-CG 4.41Å; Q165-L176 HydrophobicContact CG-CD2 4.39Å; Q165-I343 VanDerWaalsContact CD-CD1 3.48Å; Q165-I343 HydrophobicContact CG-CD1 3.99Å; Q165-I343 HydrophobicContact CG-CG1 4.01Å
166	A	97.9	Very high	98	Very high	23 Å²	23	20.4 Å²	20.4	19%	0.19	12%	0.122	C	C	.	.			trans	-72.2	150	175	0	0	0	0	0	112.6	H164 L328 T340 V341	H164-A166 PolarHBondContact O-N 3.22Å; A166-L328 HydrophobicContact CB-CD1 3.59Å; A166-T340 HydrophobicContact CB-CG2 4.06Å; A166-V341 WeakPolarHBondContact CB-O 3.43Å; A166-V341 PolarHBondContact N-O 3.34Å
167	G	95.2	Very high	98.1	Very high	49 Å²	49	20.2 Å²	20.2	51%	0.505	12%	0.121	S	C	.	.	S	Bend	trans	71.8	-175.2	176.6	0	0	0	0	0	114.8	R134	R134-G167 PolarHBondContact NH1-O 3.12Å
168	D	94.1	Very high	98.1	Very high	156 Å²	156	19.8 Å²	19.8	83%	0.834	12%	0.119	S	C	*	.	S	Bend	trans	-104.5	7.9	-167.4	-59.1	-43.8	0	0	0	114.3
169	A	95.3	Very high	98.1	Very high	19 Å²	19	19.8 Å²	19.8	16%	0.157	12%	0.119	C	C	.	.	S	Bend	trans	-56.8	160.5	175.3	0	0	0	0	0	111.2	R134 F171 Q345	R134-A169 PolarHBondContact NH1-O 3.39Å; R134-A169 PolarHBondContact NH2-O 3.14Å; A169-F171 PolarHBondContact O-N 3.14Å; A169-Q345 HydrophobicContact CB-CG 3.99Å
170	T	96.6	Very high	98.1	Very high	42 Å²	42	19.8 Å²	19.8	26%	0.258	12%	0.119	S	C	.	.	P	Polyproline II helix	trans	-53.7	139.6	176.3	-51	0	0	0	0	110.9	Q165 W257 G258 G297	Q165-T170 PolarHBondContact NE2-O 3.29Å; T170-W257 HydrophobicContact CG2-CB 4.29Å; T170-W257 WeakPolarHBondContact O-CZ3 3.48Å; T170-G258 VanDerWaalsContact CG2-N 3.32Å; T170-G297 CarbonylContact C-O 3.55Å; T170-G297 WeakPolarHBondContact CA-O 3.44Å; T170-G297 WeakPolarHBondContact CG2-O 3.38Å
171	F	98	Very high	98.1	Very high	25 Å²	25	20.1 Å²	20.1	11%	0.11	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-66.2	137.9	179.9	-170.5	-113	0	0	0	110.1	P132 R134 Q165 A169 R173 L176 G258 G297 N298	P132-F171 HydrophobicContact CB-CZ 4.09Å; R134-F171 HydrophobicContact CB-CD2 4.05Å; R134-F171 HydrophobicContact CB-CE2 3.94Å; R134-F171 VanDerWaalsContact NH2-N 3.19Å; Q165-F171 HydrophobicContact CB-CD2 4.39Å; Q165-F171 HydrophobicContact CB-CE2 4.38Å; A169-F171 PolarHBondContact O-N 3.14Å; F171-R173 HydrophobicContact CD1-CB 4.31Å; F171-R173 HydrophobicContact CE1-CB 3.84Å; F171-L176 HydrophobicContact CD2-CD1 4.02Å; F171-L176 HydrophobicContact CE1-CD1 4.45Å; F171-L176 HydrophobicContact CE2-CD1 3.28Å; F171-L176 HydrophobicContact CZ-CD1 3.55Å; F171-G258 PolarHBondContact O-N 3.15Å; F171-G297 PolarHBondContact N-O 3.03Å; F171-N298 HydrophobicContact CB-CB 4.16Å
172	N	98.6	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.			trans	-130.5	84.8	177.4	-170.9	-25.2	0	0	0	110.2	A174 K175 L176 N254 Y256 W257 I343	N172-A174 VanDerWaalsContact C-N 3.31Å; N172-A174 PolarHBondContact O-N 2.95Å; N172-K175 HydrophobicContact CB-CB 4.13Å; N172-K175 PolarHBondContact O-N 2.87Å; N172-K175 VanDerWaalsContact OD1-CB 3.26Å; N172-K175 WeakPolarHBondContact OD1-CB 3.42Å; N172-K175 PolarHBondContact OD1-N 3.39Å; N172-L176 VanDerWaalsContact O-CG 3.29Å; N172-L176 WeakPolarHBondContact O-CG 3.44Å; N172-L176 PolarHBondContact O-N 3.19Å; N172-L176 VanDerWaalsContact O-N 3.09Å; N172-N254 PolarHBondContact ND2-O 2.87Å; N172-Y256 PolarHBondContact OD1-O 3.24Å; N172-W257 HydrophobicContact CB-CD2 4.09Å; N172-W257 HydrophobicContact CB-CE3 3.73Å; N172-W257 HydrophobicContact CB-CH2 4.41Å; N172-W257 HydrophobicContact CB-CZ3 3.91Å; N172-I343 HydrophobicContact CB-CD1 3.69Å
173	R	98.6	Very high	98.1	Very high	29 Å²	29	22.8 Å²	22.8	11%	0.109	13%	0.134	C	C	.	.	H	α-helix	trans	-50	-50.9	179.6	-179.5	-176	171.4	-80.8	-12.5	112	P132 F171 K175 L176 L177 D197 G237 E262	P132-R173 HydrophobicContact CB-CG 4.36Å; P132-R173 HydrophobicContact CG-CG 3.78Å; F171-R173 HydrophobicContact CD1-CB 4.31Å; F171-R173 HydrophobicContact CE1-CB 3.84Å; R173-K175 PolarHBondContact O-N 2.92Å; R173-L176 PolarHBondContact O-N 2.85Å; R173-L177 HydrophobicContact CG-CD1 4.22Å; R173-L177 WeakPolarHBondContact O-CG 3.36Å; R173-L177 PolarHBondContact O-N 3.15Å; R173-D197 IonicContact CZ-OD1 3.31Å; R173-D197 IonicContact NE-OD1 2.65Å; R173-D197 PolarHBondContact NE-OD1 2.91Å; R173-D197 IonicContact NE-OD2 3.87Å; R173-D197 IonicContact NH2-OD1 2.61Å; R173-D197 PolarHBondContact NH2-OD1 3.14Å; R173-G237 PolarHBondContact NH2-O 3.27Å; R173-E262 WeakPolarHBondContact CD-OE1 3.48Å; R173-E262 IonicContact CZ-OE1 3.94Å; R173-E262 IonicContact NE-OE1 3.33Å; R173-E262 IonicContact NH1-OE1 3.3Å; R173-E262 PolarHBondContact NH1-OE1 3.33Å
174	A	98.8	Very high	98	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-43.9	-172.6	0	0	0	0	0	111.9	N172 L177 N178 F252 S253 E262	N172-A174 VanDerWaalsContact C-N 3.31Å; N172-A174 PolarHBondContact O-N 2.95Å; A174-L177 PolarHBondContact O-N 2.97Å; A174-N178 PolarHBondContact O-N 3.38Å; A174-N178 VanDerWaalsContact O-N 3.13Å; A174-F252 HydrophobicContact CB-CB 3.79Å; A174-F252 HydrophobicContact CB-CD1 4.25Å; A174-F252 HydrophobicContact CB-CG 4.17Å; A174-S253 WeakPolarHBondContact CB-O 3.5Å; A174-E262 HydrophobicContact CB-CB 3.71Å; A174-E262 HydrophobicContact CB-CG 3.73Å
175	K	98.8	Very high	98	Very high	21 Å²	21	23.4 Å²	23.4	9%	0.091	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-39.6	176.7	-170.6	168.5	-176.9	-174.9	0	112	N172 R173 L177 N178 V179 N254 W257 V324 I343	N172-K175 HydrophobicContact CB-CB 4.13Å; N172-K175 PolarHBondContact O-N 2.87Å; N172-K175 VanDerWaalsContact OD1-CB 3.26Å; N172-K175 WeakPolarHBondContact OD1-CB 3.42Å; N172-K175 PolarHBondContact OD1-N 3.39Å; R173-K175 PolarHBondContact O-N 2.92Å; K175-L177 VanDerWaalsContact C-N 3.29Å; K175-L177 PolarHBondContact O-N 3.48Å; K175-N178 WeakPolarHBondContact O-CB 3.32Å; K175-N178 PolarHBondContact O-N 3.05Å; K175-V179 WeakPolarHBondContact O-CG2 3.37Å; K175-V179 PolarHBondContact O-N 3.09Å; K175-N254 HydrophobicContact CD-CB 4.07Å; K175-N254 HydrophobicContact CG-CB 4.28Å; K175-W257 HydrophobicContact CD-CZ2 4.49Å; K175-V324 WeakPolarHBondContact CE-O 3.44Å; K175-V324 PolarHBondContact NZ-O 3.47Å; K175-I343 HydrophobicContact CB-CD1 4.49Å; K175-I343 HydrophobicContact CD-CB 4.02Å; K175-I343 HydrophobicContact CD-CD1 4.4Å; K175-I343 HydrophobicContact CG-CB 4.42Å; K175-I343 HydrophobicContact CG-CG2 4.49Å; K175-I343 PolarHBondContact NZ-O 3.23Å
176	L	98.9	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-34.7	175.2	-65.8	165.7	0	0	0	112.4	P132 I163 Q165 F171 N172 R173 V179 G180 V341 I343	P132-L176 HydrophobicContact CB-CB 3.76Å; P132-L176 HydrophobicContact CB-CD1 3.95Å; I163-L176 HydrophobicContact CB-CB 4.4Å; I163-L176 HydrophobicContact CG2-CB 4Å; I163-L176 HydrophobicContact CG2-CD2 3.75Å; I163-L176 HydrophobicContact CG2-CG 4.46Å; Q165-L176 HydrophobicContact CB-CD1 3.88Å; Q165-L176 HydrophobicContact CB-CD2 3.81Å; Q165-L176 HydrophobicContact CB-CG 4.41Å; Q165-L176 HydrophobicContact CG-CD2 4.39Å; F171-L176 HydrophobicContact CD2-CD1 4.02Å; F171-L176 HydrophobicContact CE1-CD1 4.45Å; F171-L176 HydrophobicContact CE2-CD1 3.28Å; F171-L176 HydrophobicContact CZ-CD1 3.55Å; N172-L176 VanDerWaalsContact O-CG 3.29Å; N172-L176 WeakPolarHBondContact O-CG 3.44Å; N172-L176 PolarHBondContact O-N 3.19Å; N172-L176 VanDerWaalsContact O-N 3.09Å; R173-L176 PolarHBondContact O-N 2.85Å; L176-V179 WeakPolarHBondContact O-CB 3.24Å; L176-V179 PolarHBondContact O-N 2.9Å; L176-G180 PolarHBondContact O-N 3.35Å; L176-V341 HydrophobicContact CD2-CG2 3.74Å; L176-I343 HydrophobicContact CD2-CD1 4.14Å; L176-I343 HydrophobicContact CD2-CG2 3.97Å; L176-I343 HydrophobicContact CG-CD1 4.22Å
177	L	98.9	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68	-37.5	174.7	-68.7	172.7	0	0	0	112.1	L130 P132 R173 A174 K175 G180 Y181 F195 F252	L130-L177 HydrophobicContact CB-CD2 4.2Å; L130-L177 WeakPolarHBondContact O-CD2 3Å; P132-L177 HydrophobicContact CB-CD2 4.29Å; P132-L177 HydrophobicContact CB-CG 4.38Å; P132-L177 HydrophobicContact CG-CD2 3.8Å; P132-L177 HydrophobicContact CG-CG 4.06Å; R173-L177 HydrophobicContact CG-CD1 4.22Å; R173-L177 WeakPolarHBondContact O-CG 3.36Å; R173-L177 PolarHBondContact O-N 3.15Å; A174-L177 PolarHBondContact O-N 2.97Å; K175-L177 VanDerWaalsContact C-N 3.29Å; K175-L177 PolarHBondContact O-N 3.48Å; L177-G180 PolarHBondContact O-N 2.63Å; L177-Y181 PolarHBondContact O-N 2.98Å; L177-F195 HydrophobicContact CB-CD1 3.91Å; L177-F195 HydrophobicContact CD1-CB 4.06Å; L177-F195 HydrophobicContact CD1-CD1 4.43Å; L177-F195 HydrophobicContact CD2-CB 3.99Å; L177-F195 HydrophobicContact CD2-CD1 4.01Å; L177-F195 HydrophobicContact CG-CD1 4.31Å; L177-F252 HydrophobicContact CB-CD2 3.76Å; L177-F252 HydrophobicContact CB-CE2 3.68Å; L177-F252 HydrophobicContact CD1-CD2 4.25Å; L177-F252 HydrophobicContact CD1-CE1 4.38Å; L177-F252 HydrophobicContact CD1-CE2 3.64Å; L177-F252 HydrophobicContact CD1-CZ 3.7Å; L177-F252 HydrophobicContact CG-CE2 4.3Å
178	N	98.9	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-45.7	169.6	-76.5	-15.2	0	0	0	111.5	A174 K175 G180 Y181 L182 F246 F252 N254 L320 C323	A174-N178 PolarHBondContact O-N 3.38Å; A174-N178 VanDerWaalsContact O-N 3.13Å; K175-N178 WeakPolarHBondContact O-CB 3.32Å; K175-N178 PolarHBondContact O-N 3.05Å; N178-G180 VanDerWaalsContact C-N 3.35Å; N178-G180 PolarHBondContact O-N 3.29Å; N178-Y181 WeakPolarHBondContact O-CB 3.36Å; N178-Y181 PolarHBondContact O-N 3.37Å; N178-L182 WeakPolarHBondContact O-CG 3.27Å; N178-L182 PolarHBondContact O-N 3.4Å; N178-F246 WeakPolarHBondContact OD1-CZ 3.47Å; N178-F252 PolarHBondContact ND2-O 3.42Å; N178-F252 PolarHBondContact OD1-N 2.84Å; N178-N254 PolarHBondContact ND2-OD1 3.09Å; N178-L320 HydrophobicContact CB-CD2 4.08Å; N178-C323 HydrophobicContact CB-CB 4.37Å
179	V	98.9	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.7	-46.8	175.8	171.3	0	0	0	0	110.9	I163 K175 L176 Y181 L182 E183 Y325 V341 I343	I163-V179 HydrophobicContact CG2-CB 4.24Å; I163-V179 HydrophobicContact CG2-CG1 3.95Å; K175-V179 WeakPolarHBondContact O-CG2 3.37Å; K175-V179 PolarHBondContact O-N 3.09Å; L176-V179 WeakPolarHBondContact O-CB 3.24Å; L176-V179 PolarHBondContact O-N 2.9Å; V179-Y181 VanDerWaalsContact C-N 3.3Å; V179-Y181 PolarHBondContact O-N 2.83Å; V179-L182 PolarHBondContact O-N 2.91Å; V179-L182 VanDerWaalsContact O-N 3.12Å; V179-E183 HydrophobicContact CG1-CG 4.18Å; V179-E183 WeakPolarHBondContact O-CG 3.26Å; V179-E183 PolarHBondContact O-N 2.87Å; V179-Y325 HydrophobicContact CG1-CD2 3.87Å; V179-Y325 HydrophobicContact CG1-CE2 3.72Å; V179-Y325 HydrophobicContact CG1-CG 4.4Å; V179-Y325 HydrophobicContact CG2-CD1 3.68Å; V179-Y325 HydrophobicContact CG2-CD2 3.94Å; V179-Y325 HydrophobicContact CG2-CE1 4.07Å; V179-Y325 HydrophobicContact CG2-CE2 4.3Å; V179-Y325 HydrophobicContact CG2-CG 3.6Å; V179-V341 HydrophobicContact CG1-CB 4.36Å; V179-V341 HydrophobicContact CG1-CG1 3.69Å; V179-V341 HydrophobicContact CG1-CG2 4.14Å; V179-I343 HydrophobicContact CG2-CG2 4.2Å
180	G	98.9	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.1	-43.2	178	0	0	0	0	0	112.6	I163 L176 L177 N178 A184	I163-G180 VanDerWaalsContact CG1-CA 3.48Å; L176-G180 PolarHBondContact O-N 3.35Å; L177-G180 PolarHBondContact O-N 2.63Å; N178-G180 VanDerWaalsContact C-N 3.35Å; N178-G180 PolarHBondContact O-N 3.29Å; G180-A184 WeakPolarHBondContact O-CB 3.36Å; G180-A184 PolarHBondContact O-N 3.34Å
181	Y	98.9	Very high	98.5	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-49.2	174.1	173.8	-92.4	0	0	0	111.6	L130 L177 N178 V179 E183 A184 I185 F193 K243 F246 L320	L130-Y181 VanDerWaalsContact CD1-N 3.35Å; L177-Y181 PolarHBondContact O-N 2.98Å; N178-Y181 WeakPolarHBondContact O-CB 3.36Å; N178-Y181 PolarHBondContact O-N 3.37Å; V179-Y181 VanDerWaalsContact C-N 3.3Å; V179-Y181 PolarHBondContact O-N 2.83Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-E183 PolarHBondContact O-N 3.12Å; Y181-A184 PolarHBondContact O-N 3.38Å; Y181-I185 HydrophobicContact CD1-CD1 4.49Å; Y181-I185 HydrophobicContact CE1-CD1 4.09Å; Y181-I185 HydrophobicContact CE1-CG2 4.38Å; Y181-I185 HydrophobicContact CE2-CG2 4.23Å; Y181-I185 WeakPolarHBondContact O-CG1 3.04Å; Y181-I185 WeakPolarHBondContact O-CG2 3.2Å; Y181-I185 PolarHBondContact O-N 3.4Å; Y181-I185 VanDerWaalsContact O-N 3.12Å; Y181-F193 AromaticContact CD2-CD1 3.6Å; Y181-F193 HydrophobicContact CD2-CD1 3.6Å; Y181-F193 AromaticContact CD2-CD2 3.85Å; Y181-F193 HydrophobicContact CD2-CD2 3.85Å; Y181-F193 AromaticContact CD2-CE1 3.61Å; Y181-F193 HydrophobicContact CD2-CE1 3.61Å; Y181-F193 AromaticContact CD2-CE2 3.9Å; Y181-F193 HydrophobicContact CD2-CE2 3.9Å; Y181-F193 AromaticContact CD2-CG 3.72Å; Y181-F193 HydrophobicContact CD2-CG 3.72Å; Y181-F193 AromaticContact CD2-CZ 3.78Å; Y181-F193 HydrophobicContact CD2-CZ 3.78Å; Y181-F193 HydrophobicContact CE2-CD1 4.27Å; Y181-F193 AromaticContact CE2-CD2 3.73Å; Y181-F193 HydrophobicContact CE2-CD2 3.73Å; Y181-F193 HydrophobicContact CE2-CE1 4.07Å; Y181-F193 AromaticContact CE2-CE2 3.55Å; Y181-F193 HydrophobicContact CE2-CE2 3.55Å; Y181-F193 HydrophobicContact CE2-CG 4.11Å; Y181-F193 AromaticContact CE2-CZ 3.72Å; Y181-F193 HydrophobicContact CE2-CZ 3.72Å; Y181-F193 HydrophobicContact CG-CE1 4.44Å; Y181-K243 HydrophobicContact CE2-CG 4.4Å; Y181-K243 WeakPolarHBondContact OH-CG 3.45Å; Y181-K243 PolarHBondContact OH-O 3.28Å; Y181-K243 VanDerWaalsContact OH-O 3.05Å; Y181-F246 AromaticContact CD1-CD1 3.87Å; Y181-F246 HydrophobicContact CD1-CD1 3.87Å; Y181-F246 AromaticContact CD1-CE1 3.94Å; Y181-F246 HydrophobicContact CD1-CE1 3.94Å; Y181-F246 AromaticContact CD2-CD1 3.38Å; Y181-F246 HydrophobicContact CD2-CD1 3.38Å; Y181-F246 AromaticContact CD2-CE1 3.87Å; Y181-F246 HydrophobicContact CD2-CE1 3.87Å; Y181-F246 HydrophobicContact CD2-CG 4.29Å; Y181-F246 HydrophobicContact CE1-CD1 4.11Å; Y181-F246 HydrophobicContact CE2-CB 4.2Å; Y181-F246 AromaticContact CE2-CD1 3.63Å; Y181-F246 HydrophobicContact CE2-CD1 3.63Å; Y181-F246 HydrophobicContact CE2-CE1 4.5Å; Y181-F246 HydrophobicContact CE2-CG 4.36Å; Y181-F246 AromaticContact CG-CD1 3.5Å; Y181-F246 HydrophobicContact CG-CD1 3.5Å; Y181-F246 VanDerWaalsContact CG-CD1 3.5Å; Y181-F246 AromaticContact CG-CE1 3.53Å; Y181-F246 HydrophobicContact CG-CE1 3.53Å; Y181-F246 AromaticContact CZ-CD1 3.99Å; Y181-L320 HydrophobicContact CD1-CD1 4.16Å; Y181-L320 HydrophobicContact CD1-CD2 3.75Å; Y181-L320 HydrophobicContact CE1-CD1 3.89Å; Y181-L320 HydrophobicContact CE1-CD2 4.28Å
182	L	98.9	Very high	98.6	Very high	38 Å²	38	30 Å²	30	20%	0.199	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-32.5	-177.8	-70.6	171.2	0	0	0	113.3	N178 V179 I185 K186 L320 C323 Y325	N178-L182 WeakPolarHBondContact O-CG 3.27Å; N178-L182 PolarHBondContact O-N 3.4Å; V179-L182 PolarHBondContact O-N 2.91Å; V179-L182 VanDerWaalsContact O-N 3.12Å; L182-I185 HydrophobicContact CD2-CD1 4.4Å; L182-I185 VanDerWaalsContact O-CG1 3.32Å; L182-I185 WeakPolarHBondContact O-CG1 3.49Å; L182-K186 VanDerWaalsContact O-CE 3.28Å; L182-K186 WeakPolarHBondContact O-CE 3.24Å; L182-K186 WeakPolarHBondContact O-CG 3.3Å; L182-L320 HydrophobicContact CD1-CD2 4.32Å; L182-L320 HydrophobicContact CD2-CD2 4.15Å; L182-L320 HydrophobicContact CG-CD2 4.02Å; L182-C323 HydrophobicContact CD1-CB 4.04Å; L182-Y325 HydrophobicContact CD1-CE1 3.82Å
183	E	98.8	Very high	98.6	Very high	22 Å²	22	30 Å²	30	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-79.7	-42.8	174.9	-67	-58.8	133	0	0	112	V179 Y181 I185 K186 D187 Y325 T327 I339	V179-E183 HydrophobicContact CG1-CG 4.18Å; V179-E183 WeakPolarHBondContact O-CG 3.26Å; V179-E183 PolarHBondContact O-N 2.87Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-E183 PolarHBondContact O-N 3.12Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 2.79Å; E183-K186 WeakPolarHBondContact O-CB 3.41Å; E183-K186 PolarHBondContact O-N 2.78Å; E183-K186 IonicContact OE1-NZ 2.68Å; E183-K186 PolarHBondContact OE1-NZ 3.02Å; E183-K186 IonicContact OE2-NZ 2.84Å; E183-D187 PolarHBondContact O-N 2.96Å; E183-Y325 HydrophobicContact CG-CE2 4.42Å; E183-Y325 VanDerWaalsContact OE1-CE2 3.3Å; E183-Y325 WeakPolarHBondContact OE1-CE2 3.28Å; E183-Y325 PolarHBondContact OE1-OH 2.93Å; E183-T327 PolarHBondContact OE1-OG1 3.37Å; E183-I339 HydrophobicContact CB-CD1 3.55Å; E183-I339 HydrophobicContact CG-CD1 4.09Å; E183-I339 HydrophobicContact CG-CG2 3.99Å
184	A	98.7	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-36.1	-179.1	0	0	0	0	0	112.6	A128 L130 Y161 G180 Y181 K186 D187 F188 W190 F193	A128-A184 HydrophobicContact CB-CB 4.12Å; L130-A184 HydrophobicContact CD2-CB 4.1Å; Y161-A184 HydrophobicContact CD2-CB 4.05Å; Y161-A184 HydrophobicContact CE1-CB 4.31Å; Y161-A184 HydrophobicContact CE2-CB 3.74Å; Y161-A184 HydrophobicContact CG-CB 4.45Å; G180-A184 WeakPolarHBondContact O-CB 3.36Å; G180-A184 PolarHBondContact O-N 3.34Å; Y181-A184 PolarHBondContact O-N 3.38Å; A184-K186 PolarHBondContact O-N 2.89Å; A184-D187 WeakPolarHBondContact O-CB 3.41Å; A184-D187 PolarHBondContact O-N 3.21Å; A184-D187 VanDerWaalsContact O-N 3.08Å; A184-F188 PolarHBondContact O-N 2.86Å; A184-F188 VanDerWaalsContact O-N 3.14Å; A184-W190 VanDerWaalsContact O-CD1 3.29Å; A184-W190 PolarHBondContact O-NE1 3.07Å; A184-F193 HydrophobicContact CB-CE1 4.02Å
185	I	98.2	Very high	98.6	Very high	59 Å²	59	28.6 Å²	28.6	30%	0.303	15%	0.147	S	C	.	.	H	α-helix	trans	-70.1	-14.3	176.3	63.4	175.4	0	0	0	114.2	Y181 L182 E183 F193	Y181-I185 HydrophobicContact CD1-CD1 4.49Å; Y181-I185 HydrophobicContact CE1-CD1 4.09Å; Y181-I185 HydrophobicContact CE1-CG2 4.38Å; Y181-I185 HydrophobicContact CE2-CG2 4.23Å; Y181-I185 WeakPolarHBondContact O-CG1 3.04Å; Y181-I185 WeakPolarHBondContact O-CG2 3.2Å; Y181-I185 PolarHBondContact O-N 3.4Å; Y181-I185 VanDerWaalsContact O-N 3.12Å; L182-I185 HydrophobicContact CD2-CD1 4.4Å; L182-I185 VanDerWaalsContact O-CG1 3.32Å; L182-I185 WeakPolarHBondContact O-CG1 3.49Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 2.79Å; I185-F193 HydrophobicContact CG2-CE1 4.06Å; I185-F193 HydrophobicContact CG2-CE2 4.44Å; I185-F193 HydrophobicContact CG2-CZ 3.5Å
186	K	98.1	Very high	98.6	Very high	139 Å²	139	27.6 Å²	27.6	60%	0.604	14%	0.142	S	C	*	.	H	α-helix	trans	-82.1	-24.1	171.4	-60.1	168.8	-171.1	173.7	0	111.5	L182 E183 A184	L182-K186 VanDerWaalsContact O-CE 3.28Å; L182-K186 WeakPolarHBondContact O-CE 3.24Å; L182-K186 WeakPolarHBondContact O-CG 3.3Å; E183-K186 WeakPolarHBondContact O-CB 3.41Å; E183-K186 PolarHBondContact O-N 2.78Å; E183-K186 IonicContact OE1-NZ 2.68Å; E183-K186 PolarHBondContact OE1-NZ 3.02Å; E183-K186 IonicContact OE2-NZ 2.84Å; A184-K186 PolarHBondContact O-N 2.89Å
187	D	97.6	Very high	98.6	Very high	65 Å²	65	29.1 Å²	29.1	35%	0.348	15%	0.15	S	C	.	.	H	α-helix	trans	-89.7	-44.3	-171.5	-164.3	41.8	0	0	0	111.5	Y161 E183 A184 R332	Y161-D187 HydrophobicContact CE1-CB 4.4Å; Y161-D187 WeakPolarHBondContact CE1-OD2 3.49Å; Y161-D187 PolarHBondContact OH-OD2 2.94Å; E183-D187 PolarHBondContact O-N 2.96Å; A184-D187 WeakPolarHBondContact O-CB 3.41Å; A184-D187 PolarHBondContact O-N 3.21Å; A184-D187 VanDerWaalsContact O-N 3.08Å; D187-R332 IonicContact OD1-CZ 3.38Å; D187-R332 IonicContact OD1-NH2 3.44Å; D187-R332 PolarHBondContact OD1-NH2 2.86Å; D187-R332 IonicContact OD2-CZ 3.13Å; D187-R332 IonicContact OD2-NH2 2.79Å; D187-R332 PolarHBondContact OD2-NH2 3.37Å
188	F	98.4	Very high	98.6	Very high	76 Å²	76	29.8 Å²	29.8	33%	0.333	15%	0.154	S	C	.	.			trans	-153.9	159.4	177.9	-172.6	-93.7	0	0	0	111.9	H157 A184 W190	H157-F188 AromaticContact CE1-CD1 3.98Å; H157-F188 AromaticContact CE1-CE1 3.59Å; H157-F188 AromaticContact CE1-CE2 3.89Å; H157-F188 AromaticContact CE1-CZ 3.54Å; H157-F188 AromaticContact ND1-CE1 3.85Å; H157-F188 AromaticContact ND1-CZ 3.93Å; A184-F188 PolarHBondContact O-N 2.86Å; A184-F188 VanDerWaalsContact O-N 3.14Å; F188-W190 HydrophobicContact CB-CD2 4.19Å; F188-W190 HydrophobicContact CB-CG 4.45Å; F188-W190 HydrophobicContact CB-CZ2 3.85Å; F188-W190 AromaticContact CD1-CD2 3.75Å; F188-W190 HydrophobicContact CD1-CD2 3.75Å; F188-W190 AromaticContact CD1-CE3 3.83Å; F188-W190 HydrophobicContact CD1-CE3 3.83Å; F188-W190 HydrophobicContact CD1-CG 4.16Å; F188-W190 HydrophobicContact CD1-CH2 4.34Å; F188-W190 HydrophobicContact CD1-CZ2 4.29Å; F188-W190 HydrophobicContact CD1-CZ3 4.13Å; F188-W190 HydrophobicContact CE1-CE3 4.4Å; F188-W190 HydrophobicContact CG-CD2 4.39Å; F188-W190 HydrophobicContact CG-CZ2 4.27Å; F188-W190 VanDerWaalsContact O-CD1 3.31Å; F188-W190 PolarHBondContact O-N 2.95Å
189	S	97.7	Very high	98.5	Very high	84 Å²	84	30.3 Å²	30.3	59%	0.587	16%	0.157	S	C	*	.			trans	-79	65.9	174.2	56.6	0	0	0	0	111.9
190	W	98.6	Very high	98.5	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.011	16%	0.157	C	C	.	.			trans	-64.9	135.7	179.9	-58.8	107	0	0	0	112.7	V127 A128 H157 A159 Y161 A184 F188 F193	V127-W190 VanDerWaalsContact C-CE3 3.42Å; V127-W190 VanDerWaalsContact N-CE3 3.29Å; A128-W190 HydrophobicContact CB-CB 4.14Å; A128-W190 HydrophobicContact CB-CD2 3.88Å; A128-W190 HydrophobicContact CB-CG 3.67Å; H157-W190 AromaticContact CE1-CH2 3.67Å; H157-W190 AromaticContact CE1-CZ3 3.55Å; H157-W190 AromaticContact ND1-CZ3 3.75Å; H157-W190 AromaticContact NE2-CH2 3.76Å; H157-W190 AromaticContact NE2-CZ3 3.95Å; A159-W190 HydrophobicContact CB-CH2 3.53Å; A159-W190 HydrophobicContact CB-CZ2 3.4Å; Y161-W190 HydrophobicContact CE2-CZ2 4.18Å; Y161-W190 AromaticContact CE2-NE1 3.77Å; Y161-W190 AromaticContact CZ-NE1 3.75Å; Y161-W190 WeakPolarHBondContact OH-CZ2 3.04Å; Y161-W190 PolarHBondContact OH-NE1 3.49Å; A184-W190 VanDerWaalsContact O-CD1 3.29Å; A184-W190 PolarHBondContact O-NE1 3.07Å; F188-W190 HydrophobicContact CB-CD2 4.19Å; F188-W190 HydrophobicContact CB-CG 4.45Å; F188-W190 HydrophobicContact CB-CZ2 3.85Å; F188-W190 AromaticContact CD1-CD2 3.75Å; F188-W190 HydrophobicContact CD1-CD2 3.75Å; F188-W190 AromaticContact CD1-CE3 3.83Å; F188-W190 HydrophobicContact CD1-CE3 3.83Å; F188-W190 HydrophobicContact CD1-CG 4.16Å; F188-W190 HydrophobicContact CD1-CH2 4.34Å; F188-W190 HydrophobicContact CD1-CZ2 4.29Å; F188-W190 HydrophobicContact CD1-CZ3 4.13Å; F188-W190 HydrophobicContact CE1-CE3 4.4Å; F188-W190 HydrophobicContact CG-CD2 4.39Å; F188-W190 HydrophobicContact CG-CZ2 4.27Å; F188-W190 VanDerWaalsContact O-CD1 3.31Å; F188-W190 PolarHBondContact O-N 2.95Å; W190-F193 HydrophobicContact CB-CE1 4.26Å; W190-F193 HydrophobicContact CB-CE2 4.26Å; W190-F193 HydrophobicContact CB-CZ 3.82Å
191	D	97.6	Very high	98.5	Very high	84 Å²	84	30.4 Å²	30.4	45%	0.449	16%	0.158	S	C	.	.	S	Bend	trans	-78.2	-37.6	176.6	-53.6	-53	0	0	0	111.3	S126 T242 K243	S126-D191 WeakPolarHBondContact CB-OD2 3.24Å; S126-D191 PolarHBondContact N-OD2 3.09Å; S126-D191 PolarHBondContact O-N 3.38Å; D191-T242 WeakPolarHBondContact O-CA 3.36Å; D191-K243 PolarHBondContact O-N 3.11Å
192	C	98.8	Very high	98.5	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.02	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.5	-168.8	-176.3	0	0	0	0	112.6	S126 V127 A128 C211	S126-C192 PolarHBondContact O-N 3Å; V127-C192 WeakPolarHBondContact CA-O 3.47Å; V127-C192 HydrophobicContact CG1-CB 4.2Å; V127-C192 HydrophobicContact CG2-CB 4.17Å; A128-C192 PolarHBondContact N-O 2.69Å; C192-C211 WeakPolarHBondContact CA-SG 3.18Å; C192-C211 HydrophobicContact CB-CB 3.67Å; C192-C211 WeakPolarHBondContact CB-SG 3.42Å; C192-C211 VanDerWaalsContact SG-CA 3.55Å; C192-C211 WeakPolarHBondContact SG-CB 3.16Å; C192-C211 PolarHBondContact SG-N 3.45Å; C192-C211 CovalentContact SG-SG 2.03Å; C192-C211 PolarHBondContact SG-SG 2.92Å
193	F	98.9	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.9	175.2	-63.5	-92.1	0	0	0	110.1	A128 L130 Y181 A184 I185 W190 F195 A240 M241 K243	A128-F193 HydrophobicContact CB-CD1 3.76Å; A128-F193 HydrophobicContact CB-CE1 3.88Å; A128-F193 WeakPolarHBondContact O-CA 3.3Å; L130-F193 HydrophobicContact CD1-CD1 3.97Å; L130-F193 HydrophobicContact CG-CD1 4.47Å; Y181-F193 AromaticContact CD2-CD1 3.6Å; Y181-F193 HydrophobicContact CD2-CD1 3.6Å; Y181-F193 AromaticContact CD2-CD2 3.85Å; Y181-F193 HydrophobicContact CD2-CD2 3.85Å; Y181-F193 AromaticContact CD2-CE1 3.61Å; Y181-F193 HydrophobicContact CD2-CE1 3.61Å; Y181-F193 AromaticContact CD2-CE2 3.9Å; Y181-F193 HydrophobicContact CD2-CE2 3.9Å; Y181-F193 AromaticContact CD2-CG 3.72Å; Y181-F193 HydrophobicContact CD2-CG 3.72Å; Y181-F193 AromaticContact CD2-CZ 3.78Å; Y181-F193 HydrophobicContact CD2-CZ 3.78Å; Y181-F193 HydrophobicContact CE2-CD1 4.27Å; Y181-F193 AromaticContact CE2-CD2 3.73Å; Y181-F193 HydrophobicContact CE2-CD2 3.73Å; Y181-F193 HydrophobicContact CE2-CE1 4.07Å; Y181-F193 AromaticContact CE2-CE2 3.55Å; Y181-F193 HydrophobicContact CE2-CE2 3.55Å; Y181-F193 HydrophobicContact CE2-CG 4.11Å; Y181-F193 AromaticContact CE2-CZ 3.72Å; Y181-F193 HydrophobicContact CE2-CZ 3.72Å; Y181-F193 HydrophobicContact CG-CE1 4.44Å; A184-F193 HydrophobicContact CB-CE1 4.02Å; I185-F193 HydrophobicContact CG2-CE1 4.06Å; I185-F193 HydrophobicContact CG2-CE2 4.44Å; I185-F193 HydrophobicContact CG2-CZ 3.5Å; W190-F193 HydrophobicContact CB-CE1 4.26Å; W190-F193 HydrophobicContact CB-CE2 4.26Å; W190-F193 HydrophobicContact CB-CZ 3.82Å; F193-F195 HydrophobicContact CB-CE1 4.45Å; F193-F195 HydrophobicContact CB-CE2 4.06Å; F193-F195 HydrophobicContact CB-CZ 3.83Å; F193-A240 WeakPolarHBondContact O-CA 3.4Å; F193-M241 PolarHBondContact N-O 2.82Å; F193-M241 PolarHBondContact O-N 2.92Å; F193-K243 HydrophobicContact CD2-CB 4.48Å; F193-K243 HydrophobicContact CE2-CB 3.8Å; F193-K243 HydrophobicContact CE2-CG 4.09Å
194	I	98.9	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114	172.7	-49.9	-58.6	0	0	0	108.3	V127 A128 I129 L130 H196 Y209 L218 V238 T239 A240	V127-I194 HydrophobicContact CG1-CD1 4.15Å; V127-I194 HydrophobicContact CG1-CG1 3.48Å; V127-I194 VanDerWaalsContact CG1-CG1 3.48Å; A128-I194 PolarHBondContact O-N 3.38Å; I129-I194 HydrophobicContact CD1-CB 3.58Å; I129-I194 HydrophobicContact CD1-CG1 3.42Å; I129-I194 VanDerWaalsContact CD1-CG1 3.42Å; I129-I194 HydrophobicContact CD1-CG2 4.29Å; I129-I194 HydrophobicContact CG2-CB 4.49Å; L130-I194 PolarHBondContact N-O 3.04Å; I194-H196 HydrophobicContact CG2-CB 4.39Å; I194-Y209 HydrophobicContact CG1-CD1 4.23Å; I194-Y209 HydrophobicContact CG2-CD1 3.88Å; I194-Y209 HydrophobicContact CG2-CE1 4.05Å; I194-L218 HydrophobicContact CD1-CD1 4.17Å; I194-L218 HydrophobicContact CG2-CD1 4.14Å; I194-V238 HydrophobicContact CG2-CG1 3.57Å; I194-T239 CarbonylContact C-O 3.59Å; I194-T239 WeakPolarHBondContact CA-O 3.39Å; I194-A240 HydrophobicContact CD1-CB 3.29Å
195	F	98.9	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.1	174.6	-50.8	-83.2	0	0	0	108.5	L130 L177 F193 V238 T239 M241 F246 F252	L130-F195 HydrophobicContact CB-CD1 4.48Å; L130-F195 HydrophobicContact CD1-CD1 3.87Å; L130-F195 HydrophobicContact CD1-CE1 3.66Å; L177-F195 HydrophobicContact CB-CD1 3.91Å; L177-F195 HydrophobicContact CD1-CB 4.06Å; L177-F195 HydrophobicContact CD1-CD1 4.43Å; L177-F195 HydrophobicContact CD2-CB 3.99Å; L177-F195 HydrophobicContact CD2-CD1 4.01Å; L177-F195 HydrophobicContact CG-CD1 4.31Å; F193-F195 HydrophobicContact CB-CE1 4.45Å; F193-F195 HydrophobicContact CB-CE2 4.06Å; F193-F195 HydrophobicContact CB-CZ 3.83Å; F195-V238 VanDerWaalsContact O-CA 3.28Å; F195-V238 WeakPolarHBondContact O-CA 3.4Å; F195-T239 PolarHBondContact N-O 3.43Å; F195-T239 PolarHBondContact O-N 2.81Å; F195-M241 HydrophobicContact CE2-CB 4.11Å; F195-M241 HydrophobicContact CE2-CG 4.23Å; F195-M241 HydrophobicContact CE2-SD 4.42Å; F195-F246 HydrophobicContact CE1-CD1 4.42Å; F195-F246 HydrophobicContact CE1-CD2 4.1Å; F195-F246 AromaticContact CE1-CE1 3.95Å; F195-F246 HydrophobicContact CE1-CE1 3.95Å; F195-F246 AromaticContact CE1-CE2 3.63Å; F195-F246 HydrophobicContact CE1-CE2 3.63Å; F195-F246 HydrophobicContact CE1-CG 4.46Å; F195-F246 AromaticContact CE1-CZ 3.53Å; F195-F246 HydrophobicContact CE1-CZ 3.53Å; F195-F246 AromaticContact CE2-CD2 3.71Å; F195-F246 HydrophobicContact CE2-CD2 3.71Å; F195-F246 AromaticContact CE2-CE2 3.89Å; F195-F246 HydrophobicContact CE2-CE2 3.89Å; F195-F246 HydrophobicContact CE2-CG 4.27Å; F195-F246 HydrophobicContact CZ-CB 4.35Å; F195-F246 AromaticContact CZ-CD1 3.89Å; F195-F246 HydrophobicContact CZ-CD1 3.89Å; F195-F246 AromaticContact CZ-CD2 3.26Å; F195-F246 HydrophobicContact CZ-CD2 3.26Å; F195-F246 AromaticContact CZ-CE1 3.87Å; F195-F246 HydrophobicContact CZ-CE1 3.87Å; F195-F246 AromaticContact CZ-CE2 3.26Å; F195-F246 HydrophobicContact CZ-CE2 3.26Å; F195-F246 AromaticContact CZ-CG 3.58Å; F195-F246 HydrophobicContact CZ-CG 3.58Å; F195-F246 AromaticContact CZ-CZ 3.56Å; F195-F246 HydrophobicContact CZ-CZ 3.56Å; F195-F252 HydrophobicContact CB-CE2 4.4Å; F195-F252 HydrophobicContact CB-CZ 4.36Å; F195-F252 AromaticContact CD1-CE2 3.69Å; F195-F252 HydrophobicContact CD1-CE2 3.69Å; F195-F252 HydrophobicContact CD1-CZ 4.44Å; F195-F252 HydrophobicContact CD2-CE2 4.38Å; F195-F252 AromaticContact CE1-CE2 3.99Å; F195-F252 HydrophobicContact CE1-CE2 3.99Å; F195-F252 AromaticContact CG-CE2 3.89Å; F195-F252 HydrophobicContact CG-CE2 3.89Å; F195-F252 HydrophobicContact CG-CZ 4.2Å; F195-F252 HydrophobicContact CZ-CE2 4.5Å
196	H	98.9	Very high	98.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.7	-159.9	-165.9	-65.4	0	0	0	113.1	I129 L130 I131 P132 L143 I194 L200 Y209 V238	I129-H196 HydrophobicContact CG2-CB 4.17Å; L130-H196 PolarHBondContact O-N 3.27Å; I131-H196 HydrophobicContact CG1-CB 4.21Å; P132-H196 WeakPolarHBondContact CD-O 3.09Å; L143-H196 VanDerWaalsContact CD1-CE1 3.47Å; L143-H196 WeakPolarHBondContact CD1-CE1 3.28Å; I194-H196 HydrophobicContact CG2-CB 4.39Å; H196-L200 PolarHBondContact CE1-O 3.34Å; H196-Y209 AromaticContact CD2-CE1 3.56Å; H196-Y209 AromaticContact NE2-CE1 3.83Å; H196-Y209 AromaticContact NE2-CZ 3.92Å; H196-Y209 PolarHBondContact NE2-OH 3.04Å; H196-Y209 VanDerWaalsContact NE2-OH 3.13Å; H196-V238 HydrophobicContact CB-CG1 4.23Å; H196-V238 WeakPolarHBondContact CD2-CG1 3.46Å
197	D	98.6	Very high	98.5	Very high	31 Å²	31	24.2 Å²	24.2	17%	0.166	13%	0.13	C	C	.	.			trans	-69	133.8	172	-72.7	-1.8	0	0	0	111.4	R173 D199 L200 G237	R173-D197 IonicContact CZ-OD1 3.31Å; R173-D197 IonicContact NE-OD1 2.65Å; R173-D197 PolarHBondContact NE-OD1 2.91Å; R173-D197 IonicContact NE-OD2 3.87Å; R173-D197 IonicContact NH2-OD1 2.61Å; R173-D197 PolarHBondContact NH2-OD1 3.14Å; D197-D199 WeakPolarHBondContact CB-OD1 3.38Å; D197-D199 PolarHBondContact O-N 2.87Å; D197-D199 VanDerWaalsContact O-N 3.08Å; D197-L200 HydrophobicContact CB-CD1 3.99Å; D197-L200 HydrophobicContact CB-CG 4.02Å; D197-L200 PolarHBondContact O-N 3.35Å; D197-G237 PolarHBondContact N-O 2.62Å; D197-G237 VanDerWaalsContact N-O 3.09Å; D197-G237 WeakPolarHBondContact OD2-CA 3.29Å
198	V	98.6	Very high	98.5	Very high	14 Å²	14	24 Å²	24	9%	0.085	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.9	-175.2	70.8	0	0	0	0	114	I131 R136 H139 L140 L143	I131-V198 HydrophobicContact CG2-CB 3.76Å; I131-V198 HydrophobicContact CG2-CG2 3.99Å; R136-V198 HydrophobicContact CB-CG1 4.04Å; R136-V198 HydrophobicContact CG-CG1 4.22Å; H139-V198 HydrophobicContact CB-CG1 4.19Å; H139-V198 HydrophobicContact CB-CG2 4.12Å; L140-V198 HydrophobicContact CB-CG2 3.81Å; L140-V198 HydrophobicContact CD1-CG2 4.21Å; L143-V198 HydrophobicContact CD2-CG2 4.47Å
199	D	97.8	Very high	98.5	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.064	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	2.9	-174	69.7	-23.2	0	0	0	114.3	D197 M289 V290 H292	D197-D199 WeakPolarHBondContact CB-OD1 3.38Å; D197-D199 PolarHBondContact O-N 2.87Å; D197-D199 VanDerWaalsContact O-N 3.08Å; D199-M289 CarbonylContact O-C 3.57Å; D199-M289 VanDerWaalsContact O-CA 3.32Å; D199-M289 WeakPolarHBondContact O-CA 3.4Å; D199-M289 WeakPolarHBondContact OD2-CE 3.32Å; D199-V290 PolarHBondContact O-N 2.88Å; D199-H292 IonicContact OD2-CD2 3.34Å; D199-H292 PolarHBondContact OD2-CD2 3.41Å; D199-H292 IonicContact OD2-NE2 3.21Å; D199-H292 PolarHBondContact OD2-NE2 3.03Å; D199-H292 VanDerWaalsContact OD2-NE2 3.13Å
200	L	98.6	Very high	98.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	106.7	-178.7	-65.8	-175.6	0	0	0	111.2	H196 D197 V219 R222 V238 Y287 M289	H196-L200 PolarHBondContact CE1-O 3.34Å; D197-L200 HydrophobicContact CB-CD1 3.99Å; D197-L200 HydrophobicContact CB-CG 4.02Å; D197-L200 PolarHBondContact O-N 3.35Å; L200-V219 HydrophobicContact CD1-CG2 4.08Å; L200-R222 HydrophobicContact CD2-CG 4.1Å; L200-V238 HydrophobicContact CB-CG2 4.24Å; L200-V238 HydrophobicContact CD1-CG2 4.2Å; L200-Y287 HydrophobicContact CB-CD1 3.75Å; L200-Y287 HydrophobicContact CB-CE1 4.38Å; L200-M289 HydrophobicContact CD2-CB 3.83Å; L200-M289 HydrophobicContact CD2-CG 3.95Å
201	V	98.7	Very high	98.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.2	178.4	-175.9	0	0	0	0	110.4	L93 F95 L143 H146 Y287 T288 V290	L93-V201 HydrophobicContact CD1-CB 3.91Å; L93-V201 HydrophobicContact CD1-CG1 3.62Å; L93-V201 HydrophobicContact CD2-CG1 3.79Å; L93-V201 HydrophobicContact CG-CG1 4.32Å; F95-V201 HydrophobicContact CE1-CG2 4.02Å; F95-V201 HydrophobicContact CZ-CB 4.43Å; F95-V201 HydrophobicContact CZ-CG2 4.35Å; L143-V201 HydrophobicContact CD1-CG2 4.2Å; H146-V201 HydrophobicContact CB-CG1 3.39Å; V201-Y287 VanDerWaalsContact C-CD1 3.47Å; V201-Y287 CarbonylContact O-C 3.58Å; V201-Y287 VanDerWaalsContact O-CA 3.27Å; V201-Y287 WeakPolarHBondContact O-CA 3.32Å; V201-T288 PolarHBondContact N-O 2.95Å; V201-T288 PolarHBondContact O-N 3.04Å; V201-V290 HydrophobicContact CG2-CG2 4.17Å
202	P	98.5	Very high	98.5	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.032	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.8	-179.9	30.4	-36.5	0	0	0	111.6	L147 F150 Y209 Y287	L147-P202 HydrophobicContact CD1-CG 4.25Å; F150-P202 HydrophobicContact CD1-CG 4.21Å; F150-P202 HydrophobicContact CD2-CB 4.18Å; F150-P202 HydrophobicContact CD2-CG 3.69Å; F150-P202 HydrophobicContact CE1-CG 4.08Å; F150-P202 HydrophobicContact CE2-CB 3.51Å; F150-P202 HydrophobicContact CE2-CG 3.49Å; F150-P202 VanDerWaalsContact CE2-CG 3.49Å; F150-P202 HydrophobicContact CG-CG 4.05Å; F150-P202 HydrophobicContact CZ-CB 3.73Å; F150-P202 HydrophobicContact CZ-CG 3.72Å; P202-Y209 HydrophobicContact CB-CE2 4.34Å; P202-Y209 HydrophobicContact CG-CE2 4.39Å; P202-Y209 WeakPolarHBondContact CG-OH 3.33Å; P202-Y287 HydrophobicContact CB-CD1 4.18Å; P202-Y287 HydrophobicContact CB-CE1 3.72Å; P202-Y287 HydrophobicContact CB-CE2 4.4Å; P202-Y287 HydrophobicContact CG-CE1 4.36Å
203	E	98.5	Very high	98.4	Very high	29 Å²	29	25.8 Å²	25.8	14%	0.136	13%	0.131	C	C	.	.	S	Bend	trans	-99.3	-13.6	-175.6	-69.4	175.1	-166.4	0	0	114.1	A90 S91 L93 Y227 R286 T288	A90-E203 CarbonylContact C-O 3.51Å; A90-E203 VanDerWaalsContact CA-O 3.27Å; A90-E203 WeakPolarHBondContact CA-O 3.25Å; S91-E203 PolarHBondContact N-O 3.39Å; L93-E203 HydrophobicContact CD1-CG 3.72Å; L93-E203 HydrophobicContact CG-CG 4.43Å; E203-Y227 VanDerWaalsContact OE1-CE1 3.31Å; E203-Y227 WeakPolarHBondContact OE1-CE1 3.3Å; E203-Y227 PolarHBondContact OE1-OH 3.01Å; E203-Y227 WeakPolarHBondContact OE2-CE1 3.41Å; E203-R286 HydrophobicContact CB-CB 4.26Å; E203-R286 PolarHBondContact N-O 3.15Å; E203-R286 WeakPolarHBondContact OE2-CB 3.43Å; E203-T288 PolarHBondContact OE1-N 3.49Å; E203-T288 PolarHBondContact OE1-OG1 3Å
204	N	98.6	Very high	98.4	Very high	19 Å²	19	28.7 Å²	28.7	10%	0.102	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-144	120.5	-174.3	-174.3	-27.5	0	0	0	110.6	G89 A90 F150 H206 N207	G89-N204 VanDerWaalsContact C-OD1 3.28Å; G89-N204 WeakPolarHBondContact CA-OD1 3.37Å; G89-N204 WeakPolarHBondContact O-CA 3.34Å; A90-N204 HydrophobicContact CB-CB 4.49Å; F150-N204 WeakPolarHBondContact CE2-O 3.49Å; N204-H206 PolarHBondContact O-N 2.85Å; N204-H206 WeakPolarHBondContact OD1-CB 3.27Å; N204-H206 PolarHBondContact OD1-N 3.43Å; N204-H206 PolarHBondContact OD1-ND1 3.15Å; N204-N207 WeakPolarHBondContact O-CB 3.31Å; N204-N207 PolarHBondContact O-N 3.44Å
205	D	98.6	Very high	98.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.7	-175.5	62	11.2	0	0	0	115.2	L87 V88 G89 F150 R153 Q154 N207	L87-D205 HydrophobicContact CD2-CB 4.2Å; V88-D205 VanDerWaalsContact CG2-OD2 3.28Å; V88-D205 WeakPolarHBondContact CG2-OD2 3.4Å; V88-D205 PolarHBondContact N-OD1 3.09Å; V88-D205 VanDerWaalsContact N-OD1 3.17Å; V88-D205 PolarHBondContact N-OD2 3Å; G89-D205 WeakPolarHBondContact CA-OD1 3.02Å; G89-D205 PolarHBondContact N-OD1 3.13Å; G89-D205 PolarHBondContact O-N 3.07Å; F150-D205 HydrophobicContact CD2-CB 3.79Å; F150-D205 HydrophobicContact CE2-CB 3.86Å; F150-D205 HydrophobicContact CG-CB 4.45Å; R153-D205 IonicContact CZ-OD2 3.68Å; R153-D205 IonicContact NE-OD2 3.16Å; R153-D205 PolarHBondContact NE-OD2 3.45Å; R153-D205 IonicContact NH2-OD2 2.95Å; R153-D205 PolarHBondContact NH2-OD2 3.28Å; Q154-D205 PolarHBondContact NE2-O 3.47Å; D205-N207 PolarHBondContact O-N 3.5Å
206	H	98.5	Very high	98.3	Very high	81 Å²	81	29.8 Å²	29.8	38%	0.375	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.9	162.7	-64.3	57.2	0	0	0	111.9	G89 N204 L208 V284	G89-H206 VanDerWaalsContact CA-CE1 3.45Å; G89-H206 WeakPolarHBondContact CA-CE1 3.37Å; G89-H206 VanDerWaalsContact CA-ND1 3.27Å; G89-H206 WeakPolarHBondContact CA-ND1 3.47Å; G89-H206 PolarHBondContact N-CE1 2.94Å; G89-H206 PolarHBondContact N-ND1 3.48Å; N204-H206 PolarHBondContact O-N 2.85Å; N204-H206 WeakPolarHBondContact OD1-CB 3.27Å; N204-H206 PolarHBondContact OD1-N 3.43Å; N204-H206 PolarHBondContact OD1-ND1 3.15Å; H206-L208 VanDerWaalsContact C-N 3.31Å; H206-L208 PolarHBondContact O-N 3.44Å; H206-L208 VanDerWaalsContact O-N 3.08Å; H206-V284 HydrophobicContact CB-CG1 3.92Å; H206-V284 HydrophobicContact CB-CG2 4.41Å; H206-V284 WeakPolarHBondContact O-CG1 3.46Å
207	N	98.6	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-78.6	82.8	167.6	-167.1	10.7	0	0	0	109	F150 Q154 N204 D205 Y209 L218 P280 V284 Y287	F150-N207 HydrophobicContact CZ-CB 4.43Å; F150-N207 VanDerWaalsContact CZ-O 3.31Å; F150-N207 WeakPolarHBondContact CZ-O 3.4Å; Q154-N207 PolarHBondContact NE2-O 2.95Å; N204-N207 WeakPolarHBondContact O-CB 3.31Å; N204-N207 PolarHBondContact O-N 3.44Å; D205-N207 PolarHBondContact O-N 3.5Å; N207-Y209 VanDerWaalsContact O-CD2 3.31Å; N207-Y209 WeakPolarHBondContact O-CD2 3.36Å; N207-Y209 PolarHBondContact O-N 3.19Å; N207-L218 PolarHBondContact ND2-O 3.25Å; N207-L218 VanDerWaalsContact OD1-CD2 3.28Å; N207-L218 WeakPolarHBondContact OD1-CD2 3.35Å; N207-P280 WeakPolarHBondContact OD1-CG 3.37Å; N207-V284 HydrophobicContact CB-CG1 3.73Å; N207-Y287 VanDerWaalsContact ND2-CE2 3.33Å; N207-Y287 WeakPolarHBondContact ND2-CE2 3.32Å; N207-Y287 PolarHBondContact ND2-OH 3.48Å
208	L	98.5	Very high	98.3	Very high	61 Å²	61	28.3 Å²	28.3	32%	0.319	14%	0.141	S	C	.	.			trans	-66.3	126.3	-171.6	-55.3	179.7	0	0	0	112.3	L87 Q154 H206 I210 L218	L87-L208 HydrophobicContact CD1-CD2 4.07Å; Q154-L208 HydrophobicContact CG-CD2 4.13Å; H206-L208 VanDerWaalsContact C-N 3.31Å; H206-L208 PolarHBondContact O-N 3.44Å; H206-L208 VanDerWaalsContact O-N 3.08Å; L208-I210 HydrophobicContact CB-CD1 4.08Å; L208-I210 HydrophobicContact CB-CG1 3.85Å; L208-I210 HydrophobicContact CD1-CD1 3.97Å; L208-I210 PolarHBondContact O-N 3.24Å; L208-L218 WeakPolarHBondContact O-CD2 3.44Å
209	Y	98.7	Very high	98.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.			trans	-84.5	54.2	177.2	-86	-138.6	0	0	0	110.6	V127 I129 L147 F150 L151 I194 H196 P202 N207 L218 V238 Y287	V127-Y209 WeakPolarHBondContact CG1-O 3.41Å; I129-Y209 HydrophobicContact CD1-CD1 4.06Å; L147-Y209 HydrophobicContact CD1-CD1 4.33Å; L147-Y209 HydrophobicContact CD1-CE1 3.69Å; F150-Y209 AromaticContact CE1-CD2 3.42Å; F150-Y209 HydrophobicContact CE1-CD2 3.42Å; F150-Y209 VanDerWaalsContact CE1-CD2 3.42Å; F150-Y209 AromaticContact CE1-CE2 3.45Å; F150-Y209 HydrophobicContact CE1-CE2 3.45Å; F150-Y209 VanDerWaalsContact CE1-CE2 3.45Å; F150-Y209 AromaticContact CE1-CG 3.97Å; F150-Y209 HydrophobicContact CE1-CG 3.97Å; F150-Y209 AromaticContact CZ-CD2 3.85Å; F150-Y209 HydrophobicContact CZ-CD2 3.85Å; F150-Y209 AromaticContact CZ-CE2 3.61Å; F150-Y209 HydrophobicContact CZ-CE2 3.61Å; L151-Y209 HydrophobicContact CD2-CD1 3.68Å; L151-Y209 HydrophobicContact CD2-CG 3.79Å; I194-Y209 HydrophobicContact CG1-CD1 4.23Å; I194-Y209 HydrophobicContact CG2-CD1 3.88Å; I194-Y209 HydrophobicContact CG2-CE1 4.05Å; H196-Y209 AromaticContact CD2-CE1 3.56Å; H196-Y209 AromaticContact NE2-CE1 3.83Å; H196-Y209 AromaticContact NE2-CZ 3.92Å; H196-Y209 PolarHBondContact NE2-OH 3.04Å; H196-Y209 VanDerWaalsContact NE2-OH 3.13Å; P202-Y209 HydrophobicContact CB-CE2 4.34Å; P202-Y209 HydrophobicContact CG-CE2 4.39Å; P202-Y209 WeakPolarHBondContact CG-OH 3.33Å; N207-Y209 VanDerWaalsContact O-CD2 3.31Å; N207-Y209 WeakPolarHBondContact O-CD2 3.36Å; N207-Y209 PolarHBondContact O-N 3.19Å; Y209-L218 HydrophobicContact CD2-CD1 4.05Å; Y209-L218 HydrophobicContact CE2-CD1 4.21Å; Y209-L218 HydrophobicContact CG-CD1 4.32Å; Y209-V238 HydrophobicContact CE1-CG1 4.4Å; Y209-Y287 WeakPolarHBondContact CE2-OH 3.48Å; Y209-Y287 VanDerWaalsContact OH-CE1 3.3Å; Y209-Y287 WeakPolarHBondContact OH-CE1 3.48Å; Y209-Y287 PolarHBondContact OH-OH 3.02Å
210	I	98.3	Very high	98.2	Very high	27 Å²	27	27.9 Å²	27.9	14%	0.138	14%	0.139	C	C	.	.			trans	-126.6	155.6	178.1	66.7	179.5	0	0	0	109.7	H125 L156 L208 K216	H125-I210 HydrophobicContact CB-CG2 4.13Å; L156-I210 HydrophobicContact CD2-CG2 3.44Å; L156-I210 VanDerWaalsContact CD2-CG2 3.44Å; L208-I210 HydrophobicContact CB-CD1 4.08Å; L208-I210 HydrophobicContact CB-CG1 3.85Å; L208-I210 HydrophobicContact CD1-CD1 3.97Å; L208-I210 PolarHBondContact O-N 3.24Å; I210-K216 PolarHBondContact O-NZ 3.35Å
211	C	98.4	Very high	97.9	Very high	23 Å²	23	27.9 Å²	27.9	16%	0.155	14%	0.139	C	C	.	.			trans	-81.6	168.9	175.9	-70.7	0	0	0	0	110.8	C192 M241 T242	C192-C211 WeakPolarHBondContact CA-SG 3.18Å; C192-C211 HydrophobicContact CB-CB 3.67Å; C192-C211 WeakPolarHBondContact CB-SG 3.42Å; C192-C211 VanDerWaalsContact SG-CA 3.55Å; C192-C211 WeakPolarHBondContact SG-CB 3.16Å; C192-C211 PolarHBondContact SG-N 3.45Å; C192-C211 CovalentContact SG-SG 2.03Å; C192-C211 PolarHBondContact SG-SG 2.92Å; C211-M241 PolarHBondContact SG-O 3.13Å; C211-T242 HydrophobicContact CB-CG2 3.64Å; C211-T242 PolarHBondContact SG-N 3.08Å; C211-T242 VanDerWaalsContact SG-N 3.43Å
212	D	96.2	Very high	97.8	Very high	78 Å²	78	29 Å²	29	42%	0.417	14%	0.144	S	C	.	.			trans	-142.4	177.7	179.5	-160.8	-20.8	0	0	0	107.7	Q214 Q245	D212-Q214 PolarHBondContact O-N 3.48Å; D212-Q245 PolarHBondContact O-NE2 3.32Å
213	Q	97.4	Very high	97.6	Very high	160 Å²	160	31.6 Å²	31.6	75%	0.748	16%	0.157	S	C	*	.	S	Bend	trans	-58.4	-17.7	174.8	-61	-57.5	-31.7	0	0	113.2	Q245	Q213-Q245 PolarHBondContact O-NE2 3.17Å; Q213-Q245 VanDerWaalsContact O-NE2 3.08Å
214	Q	98.5	Very high	97.3	Very high	61 Å²	61	34.1 Å²	34.1	29%	0.285	17%	0.174	S	C	.	.	S	Bend	trans	-127.9	145.7	179.2	-69.7	-59.3	-24.7	0	0	110.9	D212 K216 K276 V278	D212-Q214 PolarHBondContact O-N 3.48Å; Q214-K216 PolarHBondContact O-N 2.79Å; Q214-K276 WeakPolarHBondContact CB-O 3.39Å; Q214-K276 PolarHBondContact OE1-O 2.69Å; Q214-V278 HydrophobicContact CB-CG1 3.7Å; Q214-V278 HydrophobicContact CB-CG2 4.06Å; Q214-V278 HydrophobicContact CG-CG1 4.26Å
215	P	98.6	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.			trans	-54	127.9	174.9	-30.5	39.6	0	0	0	111.9	F235 M241 V270 M275 I277 V278	P215-F235 HydrophobicContact CB-CZ 4.12Å; P215-M241 HydrophobicContact CB-CE 4.28Å; P215-M241 HydrophobicContact CB-CG 4.04Å; P215-M241 HydrophobicContact CG-CE 3.93Å; P215-M241 HydrophobicContact CG-CG 4.49Å; P215-V270 HydrophobicContact CB-CG1 4.27Å; P215-V270 HydrophobicContact CB-CG2 4.41Å; P215-V270 HydrophobicContact CG-CG1 3.92Å; P215-V270 HydrophobicContact CG-CG2 4.24Å; P215-M275 HydrophobicContact CG-CB 4.19Å; P215-M275 HydrophobicContact CG-CE 4.25Å; P215-M275 HydrophobicContact CG-SD 3.71Å; P215-I277 WeakPolarHBondContact O-CA 3.31Å; P215-V278 PolarHBondContact O-N 3.23Å
216	K	98.3	Very high	96.7	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.096	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.9	-173.1	-168.5	179.4	-67.8	168.5	0	110.3	I210 Q214 L218 T239 A240 V278	I210-K216 PolarHBondContact O-NZ 3.35Å; Q214-K216 PolarHBondContact O-N 2.79Å; K216-L218 HydrophobicContact CD-CD2 3.55Å; K216-L218 HydrophobicContact CD-CG 4.43Å; K216-L218 HydrophobicContact CG-CD2 3.93Å; K216-L218 HydrophobicContact CG-CG 4.4Å; K216-T239 CarbonylContact O-C 3.57Å; K216-T239 VanDerWaalsContact O-CA 3.26Å; K216-T239 WeakPolarHBondContact O-CA 3.07Å; K216-A240 HydrophobicContact CB-CB 4.07Å; K216-A240 PolarHBondContact N-O 3.5Å; K216-A240 PolarHBondContact O-N 2.96Å; K216-V278 WeakPolarHBondContact CA-O 3.22Å; K216-V278 HydrophobicContact CB-CG2 4.02Å; K216-V278 HydrophobicContact CG-CG2 4.15Å
217	H	98.6	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.2	170.2	179.7	-122.3	0	0	0	109	V219 Y234 F235 G236 I277 V278 R279 P280	H217-V219 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact CE1-O 3.08Å; H217-V219 PolarHBondContact ND1-O 3.33Å; H217-V219 PolarHBondContact NE2-O 2.91Å; H217-V219 PolarHBondContact O-N 3.4Å; H217-Y234 AromaticContact CE1-CD1 3.65Å; H217-Y234 PolarHBondContact CE1-O 3.39Å; H217-Y234 AromaticContact NE2-CD1 3.71Å; H217-Y234 AromaticContact NE2-CE1 3.85Å; H217-F235 HydrophobicContact CB-CD2 3.67Å; H217-F235 HydrophobicContact CB-CE2 3.76Å; H217-F235 AromaticContact CD2-CD2 3.84Å; H217-F235 AromaticContact CG-CD2 3.96Å; H217-G236 PolarHBondContact NE2-O 3.39Å; H217-G236 VanDerWaalsContact NE2-O 3.09Å; H217-I277 HydrophobicContact CB-CG2 3.66Å; H217-V278 PolarHBondContact N-O 3.38Å; H217-R279 HydrophobicContact CB-CG 3.83Å; H217-R279 PolarHBondContact ND1-NE 2.61Å; H217-P280 WeakPolarHBondContact O-CD 3.03Å
218	L	98.6	Very high	96.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.			trans	-79.2	-17.3	-171.4	-67	168.7	0	0	0	112.1	I194 N207 L208 Y209 K216 V238 A240 P280 A285 Y287	I194-L218 HydrophobicContact CD1-CD1 4.17Å; I194-L218 HydrophobicContact CG2-CD1 4.14Å; N207-L218 PolarHBondContact ND2-O 3.25Å; N207-L218 VanDerWaalsContact OD1-CD2 3.28Å; N207-L218 WeakPolarHBondContact OD1-CD2 3.35Å; L208-L218 WeakPolarHBondContact O-CD2 3.44Å; Y209-L218 HydrophobicContact CD2-CD1 4.05Å; Y209-L218 HydrophobicContact CE2-CD1 4.21Å; Y209-L218 HydrophobicContact CG-CD1 4.32Å; K216-L218 HydrophobicContact CD-CD2 3.55Å; K216-L218 HydrophobicContact CD-CG 4.43Å; K216-L218 HydrophobicContact CG-CD2 3.93Å; K216-L218 HydrophobicContact CG-CG 4.4Å; L218-V238 HydrophobicContact CB-CB 4.2Å; L218-V238 HydrophobicContact CB-CG1 4.18Å; L218-V238 HydrophobicContact CD1-CG1 3.83Å; L218-V238 PolarHBondContact N-O 2.91Å; L218-A240 HydrophobicContact CD1-CB 4.22Å; L218-P280 HydrophobicContact CD2-CG 4.33Å; L218-A285 VanDerWaalsContact O-CB 3.24Å; L218-A285 WeakPolarHBondContact O-CB 3.33Å; L218-Y287 WeakPolarHBondContact CB-OH 3.42Å; L218-Y287 WeakPolarHBondContact O-CE2 3.42Å
219	V	97.8	Very high	96.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	23%	0.233	C	C	.	.			trans	-103.3	89.7	-176.5	-171.4	0	0	0	0	112.2	L200 H217 R222 V238 Y287	L200-V219 HydrophobicContact CD1-CG2 4.08Å; H217-V219 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact CE1-O 3.08Å; H217-V219 PolarHBondContact ND1-O 3.33Å; H217-V219 PolarHBondContact NE2-O 2.91Å; H217-V219 PolarHBondContact O-N 3.4Å; V219-R222 HydrophobicContact CG1-CG 3.78Å; V219-V238 HydrophobicContact CG2-CB 3.59Å; V219-V238 HydrophobicContact CG2-CG2 3.69Å; V219-V238 VanDerWaalsContact CG2-N 3.28Å; V219-Y287 HydrophobicContact CB-CD2 4.15Å; V219-Y287 HydrophobicContact CB-CE2 4.28Å; V219-Y287 HydrophobicContact CG1-CD2 3.97Å; V219-Y287 HydrophobicContact CG1-CG 4.28Å; V219-Y287 HydrophobicContact CG2-CD1 4.37Å; V219-Y287 HydrophobicContact CG2-CD2 3.86Å; V219-Y287 HydrophobicContact CG2-CE1 4.22Å; V219-Y287 HydrophobicContact CG2-CE2 3.76Å; V219-Y287 HydrophobicContact CG2-CG 4.18Å
220	V	94.8	Very high	96.1	Very high	16 Å²	16	50 Å²	50	10%	0.097	25%	0.254	C	S	.	.	S	Bend	trans	-77.1	-37.6	172.7	174.5	0	0	0	0	111.3	K228 L229 R279 A282 A285	V220-K228 CarbonylContact O-C 3.51Å; V220-L229 WeakPolarHBondContact O-CA 3.46Å; V220-L229 PolarHBondContact O-N 3.04Å; V220-R279 HydrophobicContact CG2-CB 3.91Å; V220-R279 HydrophobicContact CG2-CG 4.25Å; V220-A282 HydrophobicContact CG1-CB 3.7Å; V220-A285 HydrophobicContact CB-CB 3.67Å; V220-A285 HydrophobicContact CG2-CB 3.44Å; V220-A285 VanDerWaalsContact CG2-CB 3.44Å; V220-A285 PolarHBondContact N-O 3.44Å
221	G	93.6	Very high	96	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	147.1	-174.7	0	0	0	0	0	112.7	A285 R286 Y287	G221-A285 PolarHBondContact N-O 3.07Å; G221-A285 VanDerWaalsContact N-O 3.15Å; G221-R286 WeakPolarHBondContact O-CA 3.41Å; G221-Y287 PolarHBondContact O-N 3.48Å
222	R	95.7	Very high	95.8	Very high	25 Å²	25	60.8 Å²	60.8	9%	0.094	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	154.6	174.8	-60.8	170.2	-64.4	179.7	2.5	110.6	L200 V219 V224 T225 G226 Y227 Y287	L200-R222 HydrophobicContact CD2-CG 4.1Å; V219-R222 HydrophobicContact CG1-CG 3.78Å; R222-V224 HydrophobicContact CB-CG2 4.01Å; R222-V224 PolarHBondContact O-N 2.87Å; R222-T225 PolarHBondContact N-OG1 3.44Å; R222-T225 VanDerWaalsContact N-OG1 3.12Å; R222-T225 CarbonylContact O-C 3.51Å; R222-T225 PolarHBondContact O-N 3.07Å; R222-T225 PolarHBondContact O-OG1 3.32Å; R222-G226 PolarHBondContact O-N 3.13Å; R222-Y227 WeakPolarHBondContact O-CA 3.15Å; R222-Y227 PolarHBondContact O-N 2.9Å; R222-Y287 CarbonylContact C-O 3.43Å; R222-Y287 WeakPolarHBondContact CA-O 3.36Å
223	N	94.8	Very high	95.7	Very high	59 Å²	59	57.9 Å²	57.9	32%	0.316	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-46.3	-45.7	170.5	63.6	-23.6	0	0	0	112.4	T225 G226 Y227 Y287 M289	N223-T225 VanDerWaalsContact C-N 3.27Å; N223-T225 PolarHBondContact O-N 3.17Å; N223-G226 PolarHBondContact O-N 3.42Å; N223-G226 VanDerWaalsContact O-N 3.16Å; N223-Y227 HydrophobicContact CB-CE1 4.18Å; N223-Y287 PolarHBondContact N-O 3.48Å; N223-M289 PolarHBondContact ND2-O 3.34Å; N223-M289 WeakPolarHBondContact OD1-CB 3.33Å; N223-M289 PolarHBondContact OD1-N 2.78Å
224	V	91.9	Very high	95.7	Very high	81 Å²	81	50.8 Å²	50.8	49%	0.491	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-70.2	-16.3	180	-61.7	0	0	0	0	114.7	R222 M289	R222-V224 HydrophobicContact CB-CG2 4.01Å; R222-V224 PolarHBondContact O-N 2.87Å; V224-M289 HydrophobicContact CG1-CB 4.38Å; V224-M289 HydrophobicContact CG1-SD 4.42Å; V224-M289 HydrophobicContact CG2-CB 4.29Å; V224-M289 HydrophobicContact CG2-SD 3.8Å
225	T	91.1	Very high	95.7	Very high	38 Å²	38	48 Å²	48	23%	0.233	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-104	12.5	175	64.3	0	0	0	0	112.5	R222 N223 Y227 K228	R222-T225 PolarHBondContact N-OG1 3.44Å; R222-T225 VanDerWaalsContact N-OG1 3.12Å; R222-T225 CarbonylContact O-C 3.51Å; R222-T225 PolarHBondContact O-N 3.07Å; R222-T225 PolarHBondContact O-OG1 3.32Å; N223-T225 VanDerWaalsContact C-N 3.27Å; N223-T225 PolarHBondContact O-N 3.17Å; T225-Y227 PolarHBondContact O-N 3.05Å; T225-K228 WeakPolarHBondContact CB-O 3.42Å; T225-K228 PolarHBondContact O-N 2.73Å; T225-K228 PolarHBondContact OG1-O 3.14Å
226	G	95	Very high	95.6	Very high	52 Å²	52	48 Å²	48	54%	0.536	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	34.4	-173.2	0	0	0	0	0	112.2	R222 N223 K228	R222-G226 PolarHBondContact O-N 3.13Å; N223-G226 PolarHBondContact O-N 3.42Å; N223-G226 VanDerWaalsContact O-N 3.16Å; G226-K228 PolarHBondContact O-N 2.75Å
227	Y	96	Very high	95.6	Very high	76 Å²	76	47 Å²	47	30%	0.298	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	27.3	-176.3	-56.1	-70.6	0	0	0	115	E203 R222 N223 T225 R286	E203-Y227 VanDerWaalsContact OE1-CE1 3.31Å; E203-Y227 WeakPolarHBondContact OE1-CE1 3.3Å; E203-Y227 PolarHBondContact OE1-OH 3.01Å; E203-Y227 WeakPolarHBondContact OE2-CE1 3.41Å; R222-Y227 WeakPolarHBondContact O-CA 3.15Å; R222-Y227 PolarHBondContact O-N 2.9Å; N223-Y227 HydrophobicContact CB-CE1 4.18Å; T225-Y227 PolarHBondContact O-N 3.05Å; Y227-R286 HydrophobicContact CD1-CB 3.77Å; Y227-R286 HydrophobicContact CD1-CG 3.69Å; Y227-R286 HydrophobicContact CE1-CB 4.05Å; Y227-R286 HydrophobicContact CE1-CG 4.37Å; Y227-R286 HydrophobicContact CG-CG 4.17Å
228	K	95.9	Very high	95.6	Very high	157 Å²	157	47 Å²	47	68%	0.683	23%	0.234	S	C	*	.			trans	-103.2	149.6	172.9	-63.9	-180	-176.8	178.6	0	111.3	V220 T225 G226 R230	V220-K228 CarbonylContact O-C 3.51Å; T225-K228 WeakPolarHBondContact CB-O 3.42Å; T225-K228 PolarHBondContact O-N 2.73Å; T225-K228 PolarHBondContact OG1-O 3.14Å; G226-K228 PolarHBondContact O-N 2.75Å; K228-R230 PolarHBondContact O-N 3.12Å
229	L	96	Very high	95.6	Very high	54 Å²	54	47.1 Å²	47.1	28%	0.283	24%	0.235	S	C	.	.			trans	-61.3	131.3	171.1	-171.1	70.1	0	0	0	109.3	V220 Y231 Y234	V220-L229 WeakPolarHBondContact O-CA 3.46Å; V220-L229 PolarHBondContact O-N 3.04Å; L229-Y231 VanDerWaalsContact C-N 3.31Å; L229-Y231 WeakPolarHBondContact CD2-O 3.5Å; L229-Y231 WeakPolarHBondContact CG-O 3.46Å; L229-Y231 PolarHBondContact O-N 2.93Å; L229-Y234 HydrophobicContact CD1-CD1 4.08Å
230	R	93.4	Very high	95.7	Very high	119 Å²	119	47.1 Å²	47.1	45%	0.449	24%	0.235	S	C	.	.	S	Bend	trans	-59	-42.7	-173	-165.4	-175.7	-177.5	173.3	1.7	112.5	K228 Y234	K228-R230 PolarHBondContact O-N 3.12Å; R230-Y234 HydrophobicContact CB-CD1 4.06Å; R230-Y234 HydrophobicContact CB-CD2 4.1Å; R230-Y234 HydrophobicContact CB-CG 3.83Å
231	Y	95.7	Very high	95.9	Very high	83 Å²	83	46.3 Å²	46.3	33%	0.325	23%	0.23	S	C	.	.	S	Bend	trans	-164.1	163.7	170.5	53.5	-87.7	0	0	0	108.6	L229 G233 Y234 D264	L229-Y231 VanDerWaalsContact C-N 3.31Å; L229-Y231 WeakPolarHBondContact CD2-O 3.5Å; L229-Y231 WeakPolarHBondContact CG-O 3.46Å; L229-Y231 PolarHBondContact O-N 2.93Å; Y231-G233 VanDerWaalsContact C-N 3.26Å; Y231-G233 PolarHBondContact O-N 3.28Å; Y231-G233 VanDerWaalsContact O-N 3.14Å; Y231-Y234 HydrophobicContact CD1-CD2 4.39Å; Y231-Y234 AromaticContact CE1-CD2 3.59Å; Y231-Y234 HydrophobicContact CE1-CD2 3.59Å; Y231-Y234 HydrophobicContact CE1-CG 4.17Å; Y231-Y234 VanDerWaalsContact CE2-N 3.3Å; Y231-Y234 AromaticContact CZ-CD2 3.74Å; Y231-Y234 VanDerWaalsContact O-CB 3.25Å; Y231-Y234 WeakPolarHBondContact O-CB 3.37Å; Y231-Y234 PolarHBondContact O-N 3.19Å; Y231-D264 WeakPolarHBondContact CE2-OD1 3.5Å; Y231-D264 PolarHBondContact OH-OD1 3.49Å; Y231-D264 PolarHBondContact OH-OD2 2.84Å
232	K	94.3	Very high	96.1	Very high	192 Å²	192	48 Å²	48	84%	0.835	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-40.7	-172.6	-173.1	-179.1	178.6	-178.1	0	114.2	R279	K232-R279 PolarHBondContact O-NH2 2.99Å
233	G	94.6	Very high	96.2	Very high	18 Å²	18	50.8 Å²	50.8	19%	0.186	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	9.5	-179.8	0	0	0	0	0	115.2	Y231 F235 R267	Y231-G233 VanDerWaalsContact C-N 3.26Å; Y231-G233 PolarHBondContact O-N 3.28Å; Y231-G233 VanDerWaalsContact O-N 3.14Å; G233-F235 PolarHBondContact O-N 3.29Å; G233-R267 WeakPolarHBondContact O-CD 3.47Å; G233-R267 PolarHBondContact O-NE 3.45Å
234	Y	97.1	Very high	96.4	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.039	26%	0.263	C	S	.	.			trans	-68.4	128	-176.4	-176.1	-112.4	0	0	0	111.1	H217 L229 R230 Y231 G236 D263 R279	H217-Y234 AromaticContact CE1-CD1 3.65Å; H217-Y234 PolarHBondContact CE1-O 3.39Å; H217-Y234 AromaticContact NE2-CD1 3.71Å; H217-Y234 AromaticContact NE2-CE1 3.85Å; L229-Y234 HydrophobicContact CD1-CD1 4.08Å; R230-Y234 HydrophobicContact CB-CD1 4.06Å; R230-Y234 HydrophobicContact CB-CD2 4.1Å; R230-Y234 HydrophobicContact CB-CG 3.83Å; Y231-Y234 HydrophobicContact CD1-CD2 4.39Å; Y231-Y234 AromaticContact CE1-CD2 3.59Å; Y231-Y234 HydrophobicContact CE1-CD2 3.59Å; Y231-Y234 HydrophobicContact CE1-CG 4.17Å; Y231-Y234 VanDerWaalsContact CE2-N 3.3Å; Y231-Y234 AromaticContact CZ-CD2 3.74Å; Y231-Y234 VanDerWaalsContact O-CB 3.25Å; Y231-Y234 WeakPolarHBondContact O-CB 3.37Å; Y231-Y234 PolarHBondContact O-N 3.19Å; Y234-G236 VanDerWaalsContact CE1-O 3.3Å; Y234-G236 WeakPolarHBondContact CE1-O 3.47Å; Y234-G236 PolarHBondContact OH-O 3.16Å; Y234-D263 WeakPolarHBondContact CE2-OD2 3.43Å; Y234-R279 PolarHBondContact O-NH2 3.39Å
235	F	98.1	Very high	96.7	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	24%	0.242	C	C	.	.			trans	-136.3	22.7	-178.6	-163.9	-130.8	0	0	0	112.4	P215 H217 G233 T239 L266 R267 V270 I277	P215-F235 HydrophobicContact CB-CZ 4.12Å; H217-F235 HydrophobicContact CB-CD2 3.67Å; H217-F235 HydrophobicContact CB-CE2 3.76Å; H217-F235 AromaticContact CD2-CD2 3.84Å; H217-F235 AromaticContact CG-CD2 3.96Å; G233-F235 PolarHBondContact O-N 3.29Å; F235-T239 HydrophobicContact CD1-CG2 4.21Å; F235-T239 HydrophobicContact CD2-CG2 3.67Å; F235-T239 HydrophobicContact CE1-CG2 4.03Å; F235-T239 HydrophobicContact CE2-CG2 3.44Å; F235-T239 VanDerWaalsContact CE2-CG2 3.44Å; F235-T239 HydrophobicContact CG-CG2 4.04Å; F235-T239 HydrophobicContact CZ-CG2 3.64Å; F235-T239 VanDerWaalsContact O-CG2 3.27Å; F235-T239 WeakPolarHBondContact O-CG2 3.29Å; F235-L266 HydrophobicContact CD1-CB 4.42Å; F235-L266 HydrophobicContact CD1-CD2 4Å; F235-L266 HydrophobicContact CD1-CG 4.13Å; F235-L266 HydrophobicContact CE1-CD2 3.56Å; F235-L266 HydrophobicContact CE1-CG 3.86Å; F235-R267 HydrophobicContact CB-CB 3.95Å; F235-R267 HydrophobicContact CD1-CB 4.14Å; F235-R267 HydrophobicContact CG-CB 4.32Å; F235-V270 HydrophobicContact CE1-CG2 4.23Å; F235-I277 HydrophobicContact CB-CD1 4.09Å; F235-I277 HydrophobicContact CD1-CD1 4.04Å; F235-I277 HydrophobicContact CD2-CD1 3.49Å; F235-I277 VanDerWaalsContact CD2-CD1 3.49Å; F235-I277 HydrophobicContact CD2-CG1 3.93Å; F235-I277 HydrophobicContact CD2-CG2 3.77Å; F235-I277 HydrophobicContact CE1-CD1 4.34Å; F235-I277 HydrophobicContact CE2-CB 4.38Å; F235-I277 HydrophobicContact CE2-CD1 3.86Å; F235-I277 HydrophobicContact CE2-CG1 3.77Å; F235-I277 HydrophobicContact CE2-CG2 3.7Å; F235-I277 HydrophobicContact CG-CD1 3.61Å; F235-I277 HydrophobicContact CG-CG1 4.43Å; F235-I277 HydrophobicContact CZ-CD1 4.27Å; F235-I277 HydrophobicContact CZ-CG1 4.13Å
236	G	97.1	Very high	97.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.01	23%	0.231	C	C	.	.			trans	-98.6	172.4	179.9	0	0	0	0	0	113.2	H217 Y234 D263	H217-G236 PolarHBondContact NE2-O 3.39Å; H217-G236 VanDerWaalsContact NE2-O 3.09Å; Y234-G236 VanDerWaalsContact CE1-O 3.3Å; Y234-G236 WeakPolarHBondContact CE1-O 3.47Å; Y234-G236 PolarHBondContact OH-O 3.16Å; G236-D263 WeakPolarHBondContact CA-OD2 3.41Å; G236-D263 PolarHBondContact N-OD2 2.67Å
237	G	97.9	Very high	97.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	92.9	-95.6	-177.2	0	0	0	0	0	111.9	R173 D197	R173-G237 PolarHBondContact NH2-O 3.27Å; D197-G237 PolarHBondContact N-O 2.62Å; D197-G237 VanDerWaalsContact N-O 3.09Å; D197-G237 WeakPolarHBondContact OD2-CA 3.29Å
238	V	98.8	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.6	-178.5	-166.8	0	0	0	0	110.8	I194 F195 H196 L200 Y209 L218 V219 Y287	I194-V238 HydrophobicContact CG2-CG1 3.57Å; F195-V238 VanDerWaalsContact O-CA 3.28Å; F195-V238 WeakPolarHBondContact O-CA 3.4Å; H196-V238 HydrophobicContact CB-CG1 4.23Å; H196-V238 WeakPolarHBondContact CD2-CG1 3.46Å; L200-V238 HydrophobicContact CB-CG2 4.24Å; L200-V238 HydrophobicContact CD1-CG2 4.2Å; Y209-V238 HydrophobicContact CE1-CG1 4.4Å; L218-V238 HydrophobicContact CB-CB 4.2Å; L218-V238 HydrophobicContact CB-CG1 4.18Å; L218-V238 HydrophobicContact CD1-CG1 3.83Å; L218-V238 PolarHBondContact N-O 2.91Å; V219-V238 HydrophobicContact CG2-CB 3.59Å; V219-V238 HydrophobicContact CG2-CG2 3.69Å; V219-V238 VanDerWaalsContact CG2-N 3.28Å; V238-Y287 HydrophobicContact CB-CE1 4.4Å; V238-Y287 HydrophobicContact CG2-CD1 4.47Å; V238-Y287 HydrophobicContact CG2-CE1 3.73Å
239	T	98.8	Very high	97.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.9	-178.3	53.4	0	0	0	0	111.1	I194 F195 K216 F235	I194-T239 CarbonylContact C-O 3.59Å; I194-T239 WeakPolarHBondContact CA-O 3.39Å; F195-T239 PolarHBondContact N-O 3.43Å; F195-T239 PolarHBondContact O-N 2.81Å; K216-T239 CarbonylContact O-C 3.57Å; K216-T239 VanDerWaalsContact O-CA 3.26Å; K216-T239 WeakPolarHBondContact O-CA 3.07Å; F235-T239 HydrophobicContact CD1-CG2 4.21Å; F235-T239 HydrophobicContact CD2-CG2 3.67Å; F235-T239 HydrophobicContact CE1-CG2 4.03Å; F235-T239 HydrophobicContact CE2-CG2 3.44Å; F235-T239 VanDerWaalsContact CE2-CG2 3.44Å; F235-T239 HydrophobicContact CG-CG2 4.04Å; F235-T239 HydrophobicContact CZ-CG2 3.64Å; F235-T239 VanDerWaalsContact O-CG2 3.27Å; F235-T239 WeakPolarHBondContact O-CG2 3.29Å
240	A	98.8	Very high	97.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.5	174.8	0	0	0	0	0	110.7	F193 I194 K216 L218	F193-A240 WeakPolarHBondContact O-CA 3.4Å; I194-A240 HydrophobicContact CD1-CB 3.29Å; K216-A240 HydrophobicContact CB-CB 4.07Å; K216-A240 PolarHBondContact N-O 3.5Å; K216-A240 PolarHBondContact O-N 2.96Å; L218-A240 HydrophobicContact CD1-CB 4.22Å
241	M	98.9	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.8	172.3	-58.2	-177.5	66.3	0	0	109.9	F193 F195 C211 P215 Q245 F246 V249 L266 V270	F193-M241 PolarHBondContact N-O 2.82Å; F193-M241 PolarHBondContact O-N 2.92Å; F195-M241 HydrophobicContact CE2-CB 4.11Å; F195-M241 HydrophobicContact CE2-CG 4.23Å; F195-M241 HydrophobicContact CE2-SD 4.42Å; C211-M241 PolarHBondContact SG-O 3.13Å; P215-M241 HydrophobicContact CB-CE 4.28Å; P215-M241 HydrophobicContact CB-CG 4.04Å; P215-M241 HydrophobicContact CG-CE 3.93Å; P215-M241 HydrophobicContact CG-CG 4.49Å; M241-Q245 HydrophobicContact CB-CB 4.11Å; M241-Q245 HydrophobicContact CE-CB 3.89Å; M241-Q245 WeakPolarHBondContact CE-O 3.44Å; M241-F246 HydrophobicContact CB-CB 4.22Å; M241-F246 HydrophobicContact SD-CD2 3.93Å; M241-V249 HydrophobicContact CE-CG1 4.24Å; M241-V249 HydrophobicContact CE-CG2 3.85Å; M241-L266 HydrophobicContact SD-CD1 4.44Å; M241-L266 HydrophobicContact SD-CD2 4.13Å; M241-V270 HydrophobicContact CE-CG2 3.95Å
242	T	98.9	Very high	98.1	Very high	35 Å²	35	33.9 Å²	33.9	22%	0.215	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	162.8	172.4	69.3	0	0	0	0	110.2	D191 C211 D244 Q245 F246	D191-T242 WeakPolarHBondContact O-CA 3.36Å; C211-T242 HydrophobicContact CB-CG2 3.64Å; C211-T242 PolarHBondContact SG-N 3.08Å; C211-T242 VanDerWaalsContact SG-N 3.43Å; T242-D244 PolarHBondContact O-N 3.45Å; T242-Q245 HydrophobicContact CG2-CG 4.5Å; T242-Q245 PolarHBondContact O-N 3.3Å; T242-Q245 WeakPolarHBondContact OG1-CB 3.3Å; T242-Q245 WeakPolarHBondContact OG1-CG 3.42Å; T242-Q245 PolarHBondContact OG1-N 3.48Å; T242-F246 PolarHBondContact O-N 3.27Å
243	K	98.2	Very high	98.3	Very high	84 Å²	84	24.9 Å²	24.9	37%	0.365	13%	0.125	S	C	.	.	H	α-helix	trans	-46.1	-48	171.9	-171	177.4	177.6	176.7	0	112	Y181 D191 F193 F247	Y181-K243 HydrophobicContact CE2-CG 4.4Å; Y181-K243 WeakPolarHBondContact OH-CG 3.45Å; Y181-K243 PolarHBondContact OH-O 3.28Å; Y181-K243 VanDerWaalsContact OH-O 3.05Å; D191-K243 PolarHBondContact O-N 3.11Å; F193-K243 HydrophobicContact CD2-CB 4.48Å; F193-K243 HydrophobicContact CE2-CB 3.8Å; F193-K243 HydrophobicContact CE2-CG 4.09Å; K243-F247 WeakPolarHBondContact O-CB 3.17Å; K243-F247 PolarHBondContact O-N 3.05Å; K243-F247 VanDerWaalsContact O-N 3.11Å
244	D	98.4	Very high	98.5	Very high	101 Å²	101	24.3 Å²	24.3	54%	0.54	12%	0.118	S	C	.	.	H	α-helix	trans	-74.5	-40.5	-175.9	-65.4	-17.8	0	0	0	112.7	T242 F246 F247 Q248	T242-D244 PolarHBondContact O-N 3.45Å; D244-F246 VanDerWaalsContact C-N 3.3Å; D244-F246 PolarHBondContact O-N 2.92Å; D244-F247 PolarHBondContact O-N 2.76Å; D244-Q248 WeakPolarHBondContact O-CB 3.34Å; D244-Q248 WeakPolarHBondContact O-CG 3.04Å; D244-Q248 PolarHBondContact O-N 2.95Å
245	Q	98.8	Very high	98.5	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-44	177	-73.8	167.4	-5	0	0	110.8	D212 Q213 M241 T242 Q248 V249 M275	D212-Q245 PolarHBondContact O-NE2 3.32Å; Q213-Q245 PolarHBondContact O-NE2 3.17Å; Q213-Q245 VanDerWaalsContact O-NE2 3.08Å; M241-Q245 HydrophobicContact CB-CB 4.11Å; M241-Q245 HydrophobicContact CE-CB 3.89Å; M241-Q245 WeakPolarHBondContact CE-O 3.44Å; T242-Q245 HydrophobicContact CG2-CG 4.5Å; T242-Q245 PolarHBondContact O-N 3.3Å; T242-Q245 WeakPolarHBondContact OG1-CB 3.3Å; T242-Q245 WeakPolarHBondContact OG1-CG 3.42Å; T242-Q245 PolarHBondContact OG1-N 3.48Å; Q245-Q248 PolarHBondContact O-N 3.09Å; Q245-V249 PolarHBondContact O-N 2.91Å; Q245-M275 HydrophobicContact CB-CE 4.46Å; Q245-M275 HydrophobicContact CB-SD 4.09Å; Q245-M275 HydrophobicContact CG-SD 3.73Å
246	F	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.7	-38.4	-180	-167.9	-113.4	0	0	0	112.1	N178 Y181 F195 M241 T242 D244 V249 N250 G251 F252 L320	N178-F246 WeakPolarHBondContact OD1-CZ 3.47Å; Y181-F246 AromaticContact CD1-CD1 3.87Å; Y181-F246 HydrophobicContact CD1-CD1 3.87Å; Y181-F246 AromaticContact CD1-CE1 3.94Å; Y181-F246 HydrophobicContact CD1-CE1 3.94Å; Y181-F246 AromaticContact CD2-CD1 3.38Å; Y181-F246 HydrophobicContact CD2-CD1 3.38Å; Y181-F246 AromaticContact CD2-CE1 3.87Å; Y181-F246 HydrophobicContact CD2-CE1 3.87Å; Y181-F246 HydrophobicContact CD2-CG 4.29Å; Y181-F246 HydrophobicContact CE1-CD1 4.11Å; Y181-F246 HydrophobicContact CE2-CB 4.2Å; Y181-F246 AromaticContact CE2-CD1 3.63Å; Y181-F246 HydrophobicContact CE2-CD1 3.63Å; Y181-F246 HydrophobicContact CE2-CE1 4.5Å; Y181-F246 HydrophobicContact CE2-CG 4.36Å; Y181-F246 AromaticContact CG-CD1 3.5Å; Y181-F246 HydrophobicContact CG-CD1 3.5Å; Y181-F246 VanDerWaalsContact CG-CD1 3.5Å; Y181-F246 AromaticContact CG-CE1 3.53Å; Y181-F246 HydrophobicContact CG-CE1 3.53Å; Y181-F246 AromaticContact CZ-CD1 3.99Å; F195-F246 HydrophobicContact CE1-CD1 4.42Å; F195-F246 HydrophobicContact CE1-CD2 4.1Å; F195-F246 AromaticContact CE1-CE1 3.95Å; F195-F246 HydrophobicContact CE1-CE1 3.95Å; F195-F246 AromaticContact CE1-CE2 3.63Å; F195-F246 HydrophobicContact CE1-CE2 3.63Å; F195-F246 HydrophobicContact CE1-CG 4.46Å; F195-F246 AromaticContact CE1-CZ 3.53Å; F195-F246 HydrophobicContact CE1-CZ 3.53Å; F195-F246 AromaticContact CE2-CD2 3.71Å; F195-F246 HydrophobicContact CE2-CD2 3.71Å; F195-F246 AromaticContact CE2-CE2 3.89Å; F195-F246 HydrophobicContact CE2-CE2 3.89Å; F195-F246 HydrophobicContact CE2-CG 4.27Å; F195-F246 HydrophobicContact CZ-CB 4.35Å; F195-F246 AromaticContact CZ-CD1 3.89Å; F195-F246 HydrophobicContact CZ-CD1 3.89Å; F195-F246 AromaticContact CZ-CD2 3.26Å; F195-F246 HydrophobicContact CZ-CD2 3.26Å; F195-F246 AromaticContact CZ-CE1 3.87Å; F195-F246 HydrophobicContact CZ-CE1 3.87Å; F195-F246 AromaticContact CZ-CE2 3.26Å; F195-F246 HydrophobicContact CZ-CE2 3.26Å; F195-F246 AromaticContact CZ-CG 3.58Å; F195-F246 HydrophobicContact CZ-CG 3.58Å; F195-F246 AromaticContact CZ-CZ 3.56Å; F195-F246 HydrophobicContact CZ-CZ 3.56Å; M241-F246 HydrophobicContact CB-CB 4.22Å; M241-F246 HydrophobicContact SD-CD2 3.93Å; T242-F246 PolarHBondContact O-N 3.27Å; D244-F246 VanDerWaalsContact C-N 3.3Å; D244-F246 PolarHBondContact O-N 2.92Å; F246-V249 HydrophobicContact CD2-CG2 4.41Å; F246-V249 WeakPolarHBondContact O-CG2 3.28Å; F246-V249 PolarHBondContact O-N 2.83Å; F246-N250 PolarHBondContact O-N 3.35Å; F246-G251 VanDerWaalsContact CZ-CA 3.43Å; F246-G251 PolarHBondContact O-N 2.86Å; F246-F252 AromaticContact CE2-CD2 3.61Å; F246-F252 HydrophobicContact CE2-CD2 3.61Å; F246-F252 AromaticContact CE2-CE2 3.63Å; F246-F252 HydrophobicContact CE2-CE2 3.63Å; F246-F252 AromaticContact CZ-CD2 3.64Å; F246-F252 HydrophobicContact CZ-CD2 3.64Å; F246-F252 AromaticContact CZ-CE2 3.96Å; F246-F252 HydrophobicContact CZ-CE2 3.96Å; F246-L320 HydrophobicContact CD1-CD1 3.98Å; F246-L320 HydrophobicContact CE1-CD1 4.1Å; F246-L320 HydrophobicContact CE1-CD2 3.89Å; F246-L320 HydrophobicContact CE1-CG 4.28Å
247	F	98.4	Very high	98.5	Very high	140 Å²	140	28.4 Å²	28.4	61%	0.614	14%	0.138	S	C	*	.	H	α-helix	trans	-62.5	-45	173.1	-176	-98.4	0	0	0	112.2	K243 D244 V249 N250	K243-F247 WeakPolarHBondContact O-CB 3.17Å; K243-F247 PolarHBondContact O-N 3.05Å; K243-F247 VanDerWaalsContact O-N 3.11Å; D244-F247 PolarHBondContact O-N 2.76Å; F247-V249 VanDerWaalsContact C-N 3.27Å; F247-V249 PolarHBondContact O-N 3.02Å; F247-N250 WeakPolarHBondContact O-CA 3.48Å; F247-N250 PolarHBondContact O-N 3.07Å
248	Q	98.5	Very high	98.4	Very high	93 Å²	93	28.7 Å²	28.7	44%	0.435	14%	0.141	S	C	.	.	H	α-helix	trans	-60.7	-32.7	-179.3	-77.8	173.9	48	0	0	113.5	D244 Q245 N250	D244-Q248 WeakPolarHBondContact O-CB 3.34Å; D244-Q248 WeakPolarHBondContact O-CG 3.04Å; D244-Q248 PolarHBondContact O-N 2.95Å; Q245-Q248 PolarHBondContact O-N 3.09Å; Q248-N250 VanDerWaalsContact C-N 3.26Å; Q248-N250 PolarHBondContact O-N 3.01Å
249	V	98.8	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.9	175.6	-59.3	0	0	0	0	113.2	M241 Q245 F246 F247 G251 L266 R269 V270 Q273 M275	M241-V249 HydrophobicContact CE-CG1 4.24Å; M241-V249 HydrophobicContact CE-CG2 3.85Å; Q245-V249 PolarHBondContact O-N 2.91Å; F246-V249 HydrophobicContact CD2-CG2 4.41Å; F246-V249 WeakPolarHBondContact O-CG2 3.28Å; F246-V249 PolarHBondContact O-N 2.83Å; F247-V249 VanDerWaalsContact C-N 3.27Å; F247-V249 PolarHBondContact O-N 3.02Å; V249-G251 PolarHBondContact O-N 3.23Å; V249-L266 HydrophobicContact CG2-CD1 3.9Å; V249-R269 HydrophobicContact CB-CB 3.89Å; V249-R269 HydrophobicContact CG1-CB 4.28Å; V249-R269 WeakPolarHBondContact O-CD 3.41Å; V249-V270 HydrophobicContact CG1-CG2 4.07Å; V249-Q273 HydrophobicContact CG1-CB 4.34Å; V249-Q273 HydrophobicContact CG1-CG 3.83Å; V249-M275 HydrophobicContact CG1-CE 3.46Å; V249-M275 VanDerWaalsContact CG1-CE 3.46Å
250	N	98.9	Very high	98.1	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.102	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	36	-171.7	-169.6	31.9	0	0	0	112.1	F246 F247 Q248 R269 W315 G319 L320 N321	F246-N250 PolarHBondContact O-N 3.35Å; F247-N250 WeakPolarHBondContact O-CA 3.48Å; F247-N250 PolarHBondContact O-N 3.07Å; Q248-N250 VanDerWaalsContact C-N 3.26Å; Q248-N250 PolarHBondContact O-N 3.01Å; N250-R269 PolarHBondContact O-NH1 2.83Å; N250-W315 HydrophobicContact CB-CE3 4.21Å; N250-W315 HydrophobicContact CB-CZ3 4.36Å; N250-W315 PolarHBondContact ND2-O 3.16Å; N250-G319 WeakPolarHBondContact ND2-CA 3.32Å; N250-G319 CarbonylContact O-C 3.56Å; N250-G319 WeakPolarHBondContact O-CA 3.3Å; N250-L320 PolarHBondContact O-N 3.06Å; N250-L320 PolarHBondContact OD1-N 2.91Å; N250-L320 VanDerWaalsContact OD1-N 3.09Å; N250-N321 PolarHBondContact ND2-OD1 2.8Å; N250-N321 PolarHBondContact OD1-N 3.32Å; N250-N321 VanDerWaalsContact OD1-N 3.09Å; N250-N321 PolarHBondContact OD1-OD1 2.98Å
251	G	98.8	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	54.1	-156.1	-175.5	0	0	0	0	0	115.4	F246 V249 R269	F246-G251 VanDerWaalsContact CZ-CA 3.43Å; F246-G251 PolarHBondContact O-N 2.86Å; V249-G251 PolarHBondContact O-N 3.23Å; G251-R269 VanDerWaalsContact O-CD 3.22Å; G251-R269 WeakPolarHBondContact O-CD 3.39Å; G251-R269 PolarHBondContact O-NH1 3.13Å
252	F	98.8	Very high	98	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	17%	0.167	C	C	.	.	S	Bend	trans	-77.9	159.9	177	-70.4	-83.9	0	0	0	112.6	A174 L177 N178 F195 F246 L266 G319	A174-F252 HydrophobicContact CB-CB 3.79Å; A174-F252 HydrophobicContact CB-CD1 4.25Å; A174-F252 HydrophobicContact CB-CG 4.17Å; L177-F252 HydrophobicContact CB-CD2 3.76Å; L177-F252 HydrophobicContact CB-CE2 3.68Å; L177-F252 HydrophobicContact CD1-CD2 4.25Å; L177-F252 HydrophobicContact CD1-CE1 4.38Å; L177-F252 HydrophobicContact CD1-CE2 3.64Å; L177-F252 HydrophobicContact CD1-CZ 3.7Å; L177-F252 HydrophobicContact CG-CE2 4.3Å; N178-F252 PolarHBondContact ND2-O 3.42Å; N178-F252 PolarHBondContact OD1-N 2.84Å; F195-F252 HydrophobicContact CB-CE2 4.4Å; F195-F252 HydrophobicContact CB-CZ 4.36Å; F195-F252 AromaticContact CD1-CE2 3.69Å; F195-F252 HydrophobicContact CD1-CE2 3.69Å; F195-F252 HydrophobicContact CD1-CZ 4.44Å; F195-F252 HydrophobicContact CD2-CE2 4.38Å; F195-F252 AromaticContact CE1-CE2 3.99Å; F195-F252 HydrophobicContact CE1-CE2 3.99Å; F195-F252 AromaticContact CG-CE2 3.89Å; F195-F252 HydrophobicContact CG-CE2 3.89Å; F195-F252 HydrophobicContact CG-CZ 4.2Å; F195-F252 HydrophobicContact CZ-CE2 4.5Å; F246-F252 AromaticContact CE2-CD2 3.61Å; F246-F252 HydrophobicContact CE2-CD2 3.61Å; F246-F252 AromaticContact CE2-CE2 3.63Å; F246-F252 HydrophobicContact CE2-CE2 3.63Å; F246-F252 AromaticContact CZ-CD2 3.64Å; F246-F252 HydrophobicContact CZ-CD2 3.64Å; F246-F252 AromaticContact CZ-CE2 3.96Å; F246-F252 HydrophobicContact CZ-CE2 3.96Å; F252-L266 HydrophobicContact CD1-CB 3.79Å; F252-L266 HydrophobicContact CD1-CD1 4.37Å; F252-L266 HydrophobicContact CD1-CD2 3.94Å; F252-L266 HydrophobicContact CD1-CG 4.22Å; F252-L266 HydrophobicContact CE1-CB 3.72Å; F252-L266 HydrophobicContact CE1-CD1 4.44Å; F252-L266 HydrophobicContact CE1-CD2 3.22Å; F252-L266 HydrophobicContact CE1-CG 3.94Å; F252-L266 HydrophobicContact CE2-CD2 4.16Å; F252-L266 HydrophobicContact CZ-CD2 3.34Å; F252-L266 HydrophobicContact CZ-CG 4.44Å; F252-G319 WeakPolarHBondContact O-CA 3.37Å
253	S	98.6	Very high	98	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	16%	0.16	C	C	.	.			trans	-65.6	138.5	165.4	171.1	0	0	0	0	111.4	A174 N255 Y256 R269 D318	A174-S253 WeakPolarHBondContact CB-O 3.5Å; S253-N255 VanDerWaalsContact C-N 3.3Å; S253-N255 PolarHBondContact O-N 2.81Å; S253-N255 PolarHBondContact OG-N 3.45Å; S253-N255 VanDerWaalsContact OG-N 3.15Å; S253-Y256 WeakPolarHBondContact OG-CD2 3.44Å; S253-R269 VanDerWaalsContact CB-NH2 3.29Å; S253-D318 WeakPolarHBondContact CB-OD2 3.38Å; S253-D318 PolarHBondContact OG-OD2 3.42Å
254	N	98.6	Very high	98	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.7	175.5	-62	-49.4	0	0	0	113.3	N172 K175 N178 D318 G319 S322 C323	N172-N254 PolarHBondContact ND2-O 2.87Å; K175-N254 HydrophobicContact CD-CB 4.07Å; K175-N254 HydrophobicContact CG-CB 4.28Å; N178-N254 PolarHBondContact ND2-OD1 3.09Å; N254-D318 WeakPolarHBondContact CB-OD1 3.43Å; N254-D318 PolarHBondContact N-OD1 3.3Å; N254-G319 PolarHBondContact ND2-O 2.65Å; N254-S322 PolarHBondContact ND2-O 3.16Å; N254-C323 WeakPolarHBondContact ND2-CA 3.24Å; N254-C323 PolarHBondContact ND2-N 3.13Å
255	N	97.4	Very high	98	Very high	68 Å²	68	25.7 Å²	25.7	36%	0.364	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-0.6	-166.8	-70.6	-46.2	0	0	0	114.7	S253 W257 L307 D318	S253-N255 VanDerWaalsContact C-N 3.3Å; S253-N255 PolarHBondContact O-N 2.81Å; S253-N255 PolarHBondContact OG-N 3.45Å; S253-N255 VanDerWaalsContact OG-N 3.15Å; N255-W257 VanDerWaalsContact C-N 3.33Å; N255-W257 PolarHBondContact O-N 2.77Å; N255-L307 HydrophobicContact CB-CD2 4.19Å; N255-L307 WeakPolarHBondContact O-CD1 3.26Å; N255-D318 PolarHBondContact ND2-OD1 3.49Å; N255-D318 PolarHBondContact ND2-OD2 3.17Å
256	Y	97.9	Very high	98	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	12%	0.122	C	C	.	.			trans	-83.8	75.8	178.2	-76.1	-98.8	0	0	0	111.7	N172 S253 G258 G260 G261 E262 D265 R304 L307 L308	N172-Y256 PolarHBondContact OD1-O 3.24Å; S253-Y256 WeakPolarHBondContact OG-CD2 3.44Å; Y256-G258 PolarHBondContact O-N 2.55Å; Y256-G260 WeakPolarHBondContact CD1-O 3.34Å; Y256-G261 VanDerWaalsContact CE1-O 3.28Å; Y256-G261 WeakPolarHBondContact CE1-O 3.42Å; Y256-G261 PolarHBondContact OH-O 3.07Å; Y256-E262 HydrophobicContact CD1-CB 3.9Å; Y256-E262 HydrophobicContact CD2-CB 4.03Å; Y256-E262 HydrophobicContact CG-CB 3.59Å; Y256-D265 HydrophobicContact CE2-CB 3.82Å; Y256-R304 HydrophobicContact CE1-CB 4.21Å; Y256-L307 HydrophobicContact CD1-CD1 4.06Å; Y256-L307 HydrophobicContact CD2-CD1 4.23Å; Y256-L307 HydrophobicContact CE1-CB 3.96Å; Y256-L307 HydrophobicContact CE1-CD1 4.1Å; Y256-L307 HydrophobicContact CE2-CB 3.93Å; Y256-L307 HydrophobicContact CE2-CD1 4.27Å; Y256-L307 HydrophobicContact CG-CD1 4.14Å; Y256-L307 WeakPolarHBondContact OH-CB 3.45Å; Y256-L308 VanDerWaalsContact OH-CA 3.29Å; Y256-L308 WeakPolarHBondContact OH-CA 3.47Å; Y256-L308 PolarHBondContact OH-N 3.43Å
257	W	97.7	Very high	98	Very high	29 Å²	29	27.2 Å²	27.2	11%	0.11	13%	0.129	C	C	.	.			trans	-80.2	112.8	172.4	-64.4	93.1	0	0	0	110.8	T170 N172 K175 N255 N301 I343 G344 P346	T170-W257 HydrophobicContact CG2-CB 4.29Å; T170-W257 WeakPolarHBondContact O-CZ3 3.48Å; N172-W257 HydrophobicContact CB-CD2 4.09Å; N172-W257 HydrophobicContact CB-CE3 3.73Å; N172-W257 HydrophobicContact CB-CH2 4.41Å; N172-W257 HydrophobicContact CB-CZ3 3.91Å; K175-W257 HydrophobicContact CD-CZ2 4.49Å; N255-W257 VanDerWaalsContact C-N 3.33Å; N255-W257 PolarHBondContact O-N 2.77Å; W257-N301 WeakPolarHBondContact O-CB 3.5Å; W257-N301 VanDerWaalsContact O-CG 3.27Å; W257-N301 PolarHBondContact O-ND2 2.56Å; W257-I343 HydrophobicContact CH2-CD1 3.94Å; W257-I343 HydrophobicContact CH2-CG1 3.91Å; W257-I343 HydrophobicContact CZ3-CD1 4Å; W257-I343 HydrophobicContact CZ3-CG1 4.26Å; W257-G344 VanDerWaalsContact CH2-O 3.32Å; W257-G344 WeakPolarHBondContact CH2-O 3.37Å; W257-P346 HydrophobicContact CB-CB 3.97Å; W257-P346 HydrophobicContact CD2-CB 3.94Å; W257-P346 HydrophobicContact CD2-CG 4.36Å; W257-P346 HydrophobicContact CG-CB 3.63Å; W257-P346 HydrophobicContact CG-CG 4.37Å
258	G	96.7	Very high	98	Very high	7 Å²	7	21.6 Å²	21.6	7%	0.072	11%	0.107	C	C	.	.	S	Bend	trans	93.5	-170.3	-174.9	0	0	0	0	0	113	T170 F171 Y256 G260	T170-G258 VanDerWaalsContact CG2-N 3.32Å; F171-G258 PolarHBondContact O-N 3.15Å; Y256-G258 PolarHBondContact O-N 2.55Å; G258-G260 PolarHBondContact O-N 3.02Å
259	W	95.7	Very high	98	Very high	84 Å²	84	17.2 Å²	17.2	32%	0.318	9%	0.086	S	C	.	.	B	Isolated β-bridge	trans	-81.9	122.7	-166.7	-177.5	82	0	0	0	114.1	N298 Q299 V300 N301 R304	W259-N298 PolarHBondContact N-OD1 3.27Å; W259-Q299 PolarHBondContact N-O 3.38Å; W259-V300 HydrophobicContact CE3-CG2 4.02Å; W259-V300 HydrophobicContact CZ3-CG2 4.48Å; W259-N301 PolarHBondContact O-N 3.28Å; W259-R304 PolarHBondContact O-NH1 3.09Å
260	G	95.4	Very high	98	Very high	7 Å²	7	17.2 Å²	17.2	7%	0.072	9%	0.086	C	C	.	.	S	Bend	trans	104.4	147.7	151.8	0	0	0	0	0	115.8	Y256 G258 E262 R304	Y256-G260 WeakPolarHBondContact CD1-O 3.34Å; G258-G260 PolarHBondContact O-N 3.02Å; G260-E262 VanDerWaalsContact C-OE2 3.27Å; G260-E262 WeakPolarHBondContact CA-OE2 3.42Å; G260-R304 WeakPolarHBondContact O-CB 3.09Å
261	G	97.3	Very high	98	Very high	9 Å²	9	21 Å²	21	9%	0.093	10%	0.103	C	C	.	.	S	Bend	trans	94.4	-7.5	172.8	0	0	0	0	0	114.1	Y256 D265	Y256-G261 VanDerWaalsContact CE1-O 3.28Å; Y256-G261 WeakPolarHBondContact CE1-O 3.42Å; Y256-G261 PolarHBondContact OH-O 3.07Å; G261-D265 WeakPolarHBondContact O-CB 3.11Å; G261-D265 PolarHBondContact O-N 3Å
262	E	98.6	Very high	98	Very high	19 Å²	19	25.4 Å²	25.4	9%	0.089	12%	0.124	C	C	.	.	H	α-helix	trans	-74.2	-31	178.1	81.7	-65.7	169.1	0	0	112.5	R173 A174 Y256 G260 L266	R173-E262 WeakPolarHBondContact CD-OE1 3.48Å; R173-E262 IonicContact CZ-OE1 3.94Å; R173-E262 IonicContact NE-OE1 3.33Å; R173-E262 IonicContact NH1-OE1 3.3Å; R173-E262 PolarHBondContact NH1-OE1 3.33Å; A174-E262 HydrophobicContact CB-CB 3.71Å; A174-E262 HydrophobicContact CB-CG 3.73Å; Y256-E262 HydrophobicContact CD1-CB 3.9Å; Y256-E262 HydrophobicContact CD2-CB 4.03Å; Y256-E262 HydrophobicContact CG-CB 3.59Å; G260-E262 VanDerWaalsContact C-OE2 3.27Å; G260-E262 WeakPolarHBondContact CA-OE2 3.42Å; E262-L266 PolarHBondContact O-N 2.82Å
263	D	98.1	Very high	97.9	Very high	12 Å²	12	28 Å²	28	6%	0.064	14%	0.136	C	C	.	.	H	α-helix	trans	-71.6	-40.4	173.1	58.5	-32.1	0	0	0	111.7	Y234 G236 D265 L266 R267	Y234-D263 WeakPolarHBondContact CE2-OD2 3.43Å; G236-D263 WeakPolarHBondContact CA-OD2 3.41Å; G236-D263 PolarHBondContact N-OD2 2.67Å; D263-D265 VanDerWaalsContact C-N 3.35Å; D263-L266 PolarHBondContact O-N 2.65Å; D263-R267 PolarHBondContact O-N 3.44Å
264	D	98.5	Very high	97.9	Very high	25 Å²	25	37 Å²	37	13%	0.134	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-39.1	171.3	-73.5	-46.5	0	0	0	112.1	Y231 R267 V268 L308	Y231-D264 WeakPolarHBondContact CE2-OD1 3.5Å; Y231-D264 PolarHBondContact OH-OD1 3.49Å; Y231-D264 PolarHBondContact OH-OD2 2.84Å; D264-R267 PolarHBondContact O-N 3.42Å; D264-R267 IonicContact OD1-NH2 3.88Å; D264-V268 WeakPolarHBondContact O-CG2 3.33Å; D264-V268 PolarHBondContact O-N 3.19Å; D264-L308 HydrophobicContact CB-CD1 3.78Å; D264-L308 HydrophobicContact CB-CD2 4.02Å
265	D	98.8	Very high	97.9	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-50.4	174	-175.4	-83.8	0	0	0	110.5	Y256 G261 D263 R267 V268 R269 L308 T311	Y256-D265 HydrophobicContact CE2-CB 3.82Å; G261-D265 WeakPolarHBondContact O-CB 3.11Å; G261-D265 PolarHBondContact O-N 3Å; D263-D265 VanDerWaalsContact C-N 3.35Å; D265-R267 VanDerWaalsContact C-N 3.31Å; D265-R267 PolarHBondContact O-N 3.35Å; D265-V268 WeakPolarHBondContact O-CB 3.24Å; D265-V268 PolarHBondContact O-N 2.95Å; D265-R269 WeakPolarHBondContact O-CG 3.21Å; D265-R269 PolarHBondContact O-N 2.93Å; D265-R269 IonicContact OD1-CZ 3.22Å; D265-R269 IonicContact OD1-NE 3.24Å; D265-R269 PolarHBondContact OD1-NE 3.02Å; D265-R269 IonicContact OD1-NH2 3.17Å; D265-R269 PolarHBondContact OD1-NH2 3.13Å; D265-R269 VanDerWaalsContact OD1-NH2 3.16Å; D265-L308 HydrophobicContact CB-CD1 4.43Å; D265-T311 HydrophobicContact CB-CG2 4.38Å; D265-T311 VanDerWaalsContact CG-CG2 3.48Å; D265-T311 VanDerWaalsContact OD2-CB 3.24Å; D265-T311 WeakPolarHBondContact OD2-CB 3.48Å; D265-T311 WeakPolarHBondContact OD2-CG2 3.44Å; D265-T311 PolarHBondContact OD2-OG1 2.87Å
266	L	98.8	Very high	97.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-57.4	-44	176.6	-179.2	65.2	0	0	0	111.7	F235 M241 V249 F252 E262 D263 V268 R269 V270	F235-L266 HydrophobicContact CD1-CB 4.42Å; F235-L266 HydrophobicContact CD1-CD2 4Å; F235-L266 HydrophobicContact CD1-CG 4.13Å; F235-L266 HydrophobicContact CE1-CD2 3.56Å; F235-L266 HydrophobicContact CE1-CG 3.86Å; M241-L266 HydrophobicContact SD-CD1 4.44Å; M241-L266 HydrophobicContact SD-CD2 4.13Å; V249-L266 HydrophobicContact CG2-CD1 3.9Å; F252-L266 HydrophobicContact CD1-CB 3.79Å; F252-L266 HydrophobicContact CD1-CD1 4.37Å; F252-L266 HydrophobicContact CD1-CD2 3.94Å; F252-L266 HydrophobicContact CD1-CG 4.22Å; F252-L266 HydrophobicContact CE1-CB 3.72Å; F252-L266 HydrophobicContact CE1-CD1 4.44Å; F252-L266 HydrophobicContact CE1-CD2 3.22Å; F252-L266 HydrophobicContact CE1-CG 3.94Å; F252-L266 HydrophobicContact CE2-CD2 4.16Å; F252-L266 HydrophobicContact CZ-CD2 3.34Å; F252-L266 HydrophobicContact CZ-CG 4.44Å; E262-L266 PolarHBondContact O-N 2.82Å; D263-L266 PolarHBondContact O-N 2.65Å; L266-V268 VanDerWaalsContact C-N 3.3Å; L266-V268 PolarHBondContact O-N 2.91Å; L266-R269 WeakPolarHBondContact O-CB 3.35Å; L266-R269 PolarHBondContact O-N 3.34Å; L266-R269 VanDerWaalsContact O-N 3.09Å; L266-V270 WeakPolarHBondContact O-CG2 3.29Å; L266-V270 PolarHBondContact O-N 3.38Å
267	R	98.6	Very high	97.9	Very high	42 Å²	42	43.5 Å²	43.5	16%	0.158	20%	0.201	C	C	.	.	H	α-helix	trans	-56.3	-46.4	175	171.5	179.2	60.6	65.7	12.4	111.4	G233 F235 D263 D264 D265 R269 V270 E271 I277	G233-R267 WeakPolarHBondContact O-CD 3.47Å; G233-R267 PolarHBondContact O-NE 3.45Å; F235-R267 HydrophobicContact CB-CB 3.95Å; F235-R267 HydrophobicContact CD1-CB 4.14Å; F235-R267 HydrophobicContact CG-CB 4.32Å; D263-R267 PolarHBondContact O-N 3.44Å; D264-R267 PolarHBondContact O-N 3.42Å; D264-R267 IonicContact OD1-NH2 3.88Å; D265-R267 VanDerWaalsContact C-N 3.31Å; D265-R267 PolarHBondContact O-N 3.35Å; R267-R269 VanDerWaalsContact C-N 3.26Å; R267-R269 PolarHBondContact O-N 3.08Å; R267-V270 WeakPolarHBondContact O-CB 3.29Å; R267-V270 PolarHBondContact O-N 3.27Å; R267-E271 WeakPolarHBondContact CD-OE1 3.36Å; R267-E271 HydrophobicContact CG-CG 4.35Å; R267-E271 VanDerWaalsContact CG-OE1 3.24Å; R267-E271 WeakPolarHBondContact CG-OE1 3.36Å; R267-E271 IonicContact CZ-OE1 3.16Å; R267-E271 IonicContact NH1-OE1 2.82Å; R267-E271 PolarHBondContact NH1-OE1 3.19Å; R267-E271 IonicContact NH1-OE2 3.74Å; R267-E271 PolarHBondContact NH1-OE2 3.4Å; R267-E271 WeakPolarHBondContact O-CG 3.28Å; R267-E271 PolarHBondContact O-N 3.09Å; R267-I277 HydrophobicContact CB-CD1 4.05Å; R267-I277 HydrophobicContact CG-CD1 3.6Å
268	V	98.7	Very high	98	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-40.6	178.2	170.6	0	0	0	0	110.3	D264 D265 L266 E271 Q272 L308 T311 T312	D264-V268 WeakPolarHBondContact O-CG2 3.33Å; D264-V268 PolarHBondContact O-N 3.19Å; D265-V268 WeakPolarHBondContact O-CB 3.24Å; D265-V268 PolarHBondContact O-N 2.95Å; L266-V268 VanDerWaalsContact C-N 3.3Å; L266-V268 PolarHBondContact O-N 2.91Å; V268-E271 PolarHBondContact O-N 2.77Å; V268-Q272 HydrophobicContact CG1-CG 4.44Å; V268-Q272 VanDerWaalsContact O-CG 3.3Å; V268-Q272 WeakPolarHBondContact O-CG 3.46Å; V268-Q272 PolarHBondContact O-N 2.72Å; V268-L308 HydrophobicContact CG2-CD1 4.36Å; V268-T311 HydrophobicContact CB-CG2 3.85Å; V268-T311 HydrophobicContact CG1-CG2 3.65Å; V268-T312 HydrophobicContact CG1-CG2 3.87Å
269	R	98.7	Very high	98	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-43.6	176	-58.1	177.2	-175.6	-132.4	-11.5	112.8	V249 N250 G251 S253 D265 L266 R267 E271 Q272 Q273 T311 W315 D318	V249-R269 HydrophobicContact CB-CB 3.89Å; V249-R269 HydrophobicContact CG1-CB 4.28Å; V249-R269 WeakPolarHBondContact O-CD 3.41Å; N250-R269 PolarHBondContact O-NH1 2.83Å; G251-R269 VanDerWaalsContact O-CD 3.22Å; G251-R269 WeakPolarHBondContact O-CD 3.39Å; G251-R269 PolarHBondContact O-NH1 3.13Å; S253-R269 VanDerWaalsContact CB-NH2 3.29Å; D265-R269 WeakPolarHBondContact O-CG 3.21Å; D265-R269 PolarHBondContact O-N 2.93Å; D265-R269 IonicContact OD1-CZ 3.22Å; D265-R269 IonicContact OD1-NE 3.24Å; D265-R269 PolarHBondContact OD1-NE 3.02Å; D265-R269 IonicContact OD1-NH2 3.17Å; D265-R269 PolarHBondContact OD1-NH2 3.13Å; D265-R269 VanDerWaalsContact OD1-NH2 3.16Å; L266-R269 WeakPolarHBondContact O-CB 3.35Å; L266-R269 PolarHBondContact O-N 3.34Å; L266-R269 VanDerWaalsContact O-N 3.09Å; R267-R269 VanDerWaalsContact C-N 3.26Å; R267-R269 PolarHBondContact O-N 3.08Å; R269-E271 VanDerWaalsContact C-N 3.32Å; R269-E271 PolarHBondContact O-N 2.98Å; R269-Q272 WeakPolarHBondContact O-CB 3.49Å; R269-Q272 PolarHBondContact O-N 3.21Å; R269-Q273 PolarHBondContact O-N 3.2Å; R269-Q273 VanDerWaalsContact O-N 3.08Å; R269-T311 HydrophobicContact CG-CG2 4.04Å; R269-W315 HydrophobicContact CG-CB 3.8Å; R269-W315 HydrophobicContact CG-CG 4.42Å; R269-D318 VanDerWaalsContact CZ-O 3.26Å; R269-D318 PolarHBondContact NH1-O 2.9Å; R269-D318 PolarHBondContact NH2-O 3.34Å
270	V	98.7	Very high	98.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.9	-47.2	174.3	166.8	0	0	0	0	110.5	P215 F235 M241 V249 L266 R267 Q272 Q273 K274 M275 I277	P215-V270 HydrophobicContact CB-CG1 4.27Å; P215-V270 HydrophobicContact CB-CG2 4.41Å; P215-V270 HydrophobicContact CG-CG1 3.92Å; P215-V270 HydrophobicContact CG-CG2 4.24Å; F235-V270 HydrophobicContact CE1-CG2 4.23Å; M241-V270 HydrophobicContact CE-CG2 3.95Å; V249-V270 HydrophobicContact CG1-CG2 4.07Å; L266-V270 WeakPolarHBondContact O-CG2 3.29Å; L266-V270 PolarHBondContact O-N 3.38Å; R267-V270 WeakPolarHBondContact O-CB 3.29Å; R267-V270 PolarHBondContact O-N 3.27Å; V270-Q272 PolarHBondContact O-N 3.1Å; V270-Q273 CarbonylContact O-C 3.52Å; V270-Q273 PolarHBondContact O-N 3.35Å; V270-Q273 VanDerWaalsContact O-N 3.17Å; V270-K274 PolarHBondContact O-N 2.84Å; V270-M275 HydrophobicContact CG1-CB 3.73Å; V270-M275 PolarHBondContact O-N 3.15Å; V270-I277 HydrophobicContact CG1-CG1 4.1Å
271	E	98.3	Very high	98.2	Very high	97 Å²	97	48.9 Å²	48.9	45%	0.453	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-36.8	177	-69.4	168	-175.2	0	0	112.2	R267 V268 R269 Q273 K274	R267-E271 WeakPolarHBondContact CD-OE1 3.36Å; R267-E271 HydrophobicContact CG-CG 4.35Å; R267-E271 VanDerWaalsContact CG-OE1 3.24Å; R267-E271 WeakPolarHBondContact CG-OE1 3.36Å; R267-E271 IonicContact CZ-OE1 3.16Å; R267-E271 IonicContact NH1-OE1 2.82Å; R267-E271 PolarHBondContact NH1-OE1 3.19Å; R267-E271 IonicContact NH1-OE2 3.74Å; R267-E271 PolarHBondContact NH1-OE2 3.4Å; R267-E271 WeakPolarHBondContact O-CG 3.28Å; R267-E271 PolarHBondContact O-N 3.09Å; V268-E271 PolarHBondContact O-N 2.77Å; R269-E271 VanDerWaalsContact C-N 3.32Å; R269-E271 PolarHBondContact O-N 2.98Å; E271-Q273 VanDerWaalsContact C-N 3.26Å; E271-Q273 PolarHBondContact O-N 3.17Å; E271-K274 PolarHBondContact O-N 3.12Å
272	Q	97.9	Very high	98.1	Very high	93 Å²	93	51.1 Å²	51.1	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-32.5	174.3	-71.1	-58.7	-63.1	0	0	112.5	V268 R269 V270 K274 T312	V268-Q272 HydrophobicContact CG1-CG 4.44Å; V268-Q272 VanDerWaalsContact O-CG 3.3Å; V268-Q272 WeakPolarHBondContact O-CG 3.46Å; V268-Q272 PolarHBondContact O-N 2.72Å; R269-Q272 WeakPolarHBondContact O-CB 3.49Å; R269-Q272 PolarHBondContact O-N 3.21Å; V270-Q272 PolarHBondContact O-N 3.1Å; Q272-K274 PolarHBondContact O-N 3.46Å; Q272-T312 HydrophobicContact CG-CG2 4.39Å
273	Q	98.3	Very high	98	Very high	58 Å²	58	55 Å²	55	27%	0.271	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	11.2	173.4	-64.8	-52	-47.7	0	0	113.2	V249 R269 V270 E271 M275 W315	V249-Q273 HydrophobicContact CG1-CB 4.34Å; V249-Q273 HydrophobicContact CG1-CG 3.83Å; R269-Q273 PolarHBondContact O-N 3.2Å; R269-Q273 VanDerWaalsContact O-N 3.08Å; V270-Q273 CarbonylContact O-C 3.52Å; V270-Q273 PolarHBondContact O-N 3.35Å; V270-Q273 VanDerWaalsContact O-N 3.17Å; E271-Q273 VanDerWaalsContact C-N 3.26Å; E271-Q273 PolarHBondContact O-N 3.17Å; Q273-M275 HydrophobicContact CB-CE 3.7Å; Q273-M275 HydrophobicContact CB-CG 4.5Å; Q273-M275 HydrophobicContact CG-CE 4.33Å; Q273-M275 PolarHBondContact O-N 3.13Å; Q273-W315 VanDerWaalsContact NE2-CZ2 3.33Å
274	K	98.2	Very high	98	Very high	191 Å²	191	55.3 Å²	55.3	83%	0.83	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	16.3	179.3	-51.8	175.6	-178.7	174.4	0	113.8	V270 E271 Q272	V270-K274 PolarHBondContact O-N 2.84Å; E271-K274 PolarHBondContact O-N 3.12Å; Q272-K274 PolarHBondContact O-N 3.46Å
275	M	98.6	Very high	97.9	Very high	21 Å²	21	54.1 Å²	54.1	10%	0.103	27%	0.271	C	S	.	.			trans	-80.9	155.1	171.4	-70.4	-173.2	-76	0	0	110.1	P215 Q245 V249 V270 Q273	P215-M275 HydrophobicContact CG-CB 4.19Å; P215-M275 HydrophobicContact CG-CE 4.25Å; P215-M275 HydrophobicContact CG-SD 3.71Å; Q245-M275 HydrophobicContact CB-CE 4.46Å; Q245-M275 HydrophobicContact CB-SD 4.09Å; Q245-M275 HydrophobicContact CG-SD 3.73Å; V249-M275 HydrophobicContact CG1-CE 3.46Å; V249-M275 VanDerWaalsContact CG1-CE 3.46Å; V270-M275 HydrophobicContact CG1-CB 3.73Å; V270-M275 PolarHBondContact O-N 3.15Å; Q273-M275 HydrophobicContact CB-CE 3.7Å; Q273-M275 HydrophobicContact CB-CG 4.5Å; Q273-M275 HydrophobicContact CG-CE 4.33Å; Q273-M275 PolarHBondContact O-N 3.13Å
276	K	97.3	Very high	97.9	Very high	158 Å²	158	58.5 Å²	58.5	69%	0.687	29%	0.287	S	S	*	.			trans	-115.1	138.9	179.4	-65.8	179.4	-177.6	173.9	0	109	Q214 V278	Q214-K276 WeakPolarHBondContact CB-O 3.39Å; Q214-K276 PolarHBondContact OE1-O 2.69Å; K276-V278 PolarHBondContact O-N 2.98Å
277	I	98.3	Very high	97.9	Very high	34 Å²	34	58.5 Å²	58.5	17%	0.174	29%	0.287	C	S	.	.			trans	-79	122.8	174	-66.5	164	0	0	0	109.4	P215 H217 F235 R267 V270	P215-I277 WeakPolarHBondContact O-CA 3.31Å; H217-I277 HydrophobicContact CB-CG2 3.66Å; F235-I277 HydrophobicContact CB-CD1 4.09Å; F235-I277 HydrophobicContact CD1-CD1 4.04Å; F235-I277 HydrophobicContact CD2-CD1 3.49Å; F235-I277 VanDerWaalsContact CD2-CD1 3.49Å; F235-I277 HydrophobicContact CD2-CG1 3.93Å; F235-I277 HydrophobicContact CD2-CG2 3.77Å; F235-I277 HydrophobicContact CE1-CD1 4.34Å; F235-I277 HydrophobicContact CE2-CB 4.38Å; F235-I277 HydrophobicContact CE2-CD1 3.86Å; F235-I277 HydrophobicContact CE2-CG1 3.77Å; F235-I277 HydrophobicContact CE2-CG2 3.7Å; F235-I277 HydrophobicContact CG-CD1 3.61Å; F235-I277 HydrophobicContact CG-CG1 4.43Å; F235-I277 HydrophobicContact CZ-CD1 4.27Å; F235-I277 HydrophobicContact CZ-CG1 4.13Å; R267-I277 HydrophobicContact CB-CD1 4.05Å; R267-I277 HydrophobicContact CG-CD1 3.6Å; V270-I277 HydrophobicContact CG1-CG1 4.1Å
278	V	97.9	Very high	97.9	Very high	49 Å²	49	57.5 Å²	57.5	30%	0.297	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-98.9	150.4	172.5	-63.4	0	0	0	0	110.7	Q214 P215 K216 H217 K276	Q214-V278 HydrophobicContact CB-CG1 3.7Å; Q214-V278 HydrophobicContact CB-CG2 4.06Å; Q214-V278 HydrophobicContact CG-CG1 4.26Å; P215-V278 PolarHBondContact O-N 3.23Å; K216-V278 WeakPolarHBondContact CA-O 3.22Å; K216-V278 HydrophobicContact CB-CG2 4.02Å; K216-V278 HydrophobicContact CG-CG2 4.15Å; H217-V278 PolarHBondContact N-O 3.38Å; K276-V278 PolarHBondContact O-N 2.98Å
279	R	97.9	Very high	97.8	Very high	84 Å²	84	58.3 Å²	58.3	32%	0.317	29%	0.288	S	S	.	.			trans	-134.6	136.3	-178.9	-74.3	-179.9	-172	93.5	-5.5	109.3	H217 V220 K232 Y234	H217-R279 HydrophobicContact CB-CG 3.83Å; H217-R279 PolarHBondContact ND1-NE 2.61Å; V220-R279 HydrophobicContact CG2-CB 3.91Å; V220-R279 HydrophobicContact CG2-CG 4.25Å; K232-R279 PolarHBondContact O-NH2 2.99Å; Y234-R279 PolarHBondContact O-NH2 3.39Å
280	P	97.4	Very high	97.6	Very high	26 Å²	26	59 Å²	59	17%	0.169	29%	0.293	C	S	.	.			trans	-63	167.9	168.6	-14.8	27.6	0	0	0	111.5	N207 H217 L218 A285	N207-P280 WeakPolarHBondContact OD1-CG 3.37Å; H217-P280 WeakPolarHBondContact O-CD 3.03Å; L218-P280 HydrophobicContact CD2-CG 4.33Å; P280-A285 HydrophobicContact CB-CB 4.05Å; P280-A285 HydrophobicContact CG-CB 4.18Å
281	P	97.5	Very high	97.1	Very high	81 Å²	81	66.9 Å²	66.9	53%	0.526	33%	0.327	S	S	.	.			trans	-52.6	140.7	174.3	-27.4	36.5	0	0	0	112.5	N283 V284 A285	P281-N283 WeakPolarHBondContact CB-OD1 3.48Å; P281-N283 PolarHBondContact O-N 3.35Å; P281-N283 VanDerWaalsContact O-N 3.15Å; P281-V284 HydrophobicContact CB-CB 4.39Å; P281-V284 HydrophobicContact CB-CG2 4.22Å; P281-V284 WeakPolarHBondContact O-CA 3.29Å; P281-V284 WeakPolarHBondContact O-CB 3.42Å; P281-V284 PolarHBondContact O-N 3.27Å; P281-A285 PolarHBondContact O-N 3.24Å
282	A	96.1	Very high	96.5	Very high	55 Å²	55	64.7 Å²	64.7	46%	0.455	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.3	-173.4	0	0	0	0	0	114.4	V220 V284 R286	V220-A282 HydrophobicContact CG1-CB 3.7Å; A282-V284 VanDerWaalsContact C-N 3.34Å; A282-R286 WeakPolarHBondContact O-CG 3.31Å
283	N	95.6	Very high	95.8	Very high	102 Å²	102	68.5 Å²	68.5	55%	0.545	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-19.9	173.3	61.8	-42	0	0	0	113	P281	P281-N283 WeakPolarHBondContact CB-OD1 3.48Å; P281-N283 PolarHBondContact O-N 3.35Å; P281-N283 VanDerWaalsContact O-N 3.15Å
284	V	97.8	Very high	95	Very high	17 Å²	17	72 Å²	72	10%	0.103	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-45	179.3	172.7	0	0	0	0	110.8	H206 N207 P281 A282 R286	H206-V284 HydrophobicContact CB-CG1 3.92Å; H206-V284 HydrophobicContact CB-CG2 4.41Å; H206-V284 WeakPolarHBondContact O-CG1 3.46Å; N207-V284 HydrophobicContact CB-CG1 3.73Å; P281-V284 HydrophobicContact CB-CB 4.39Å; P281-V284 HydrophobicContact CB-CG2 4.22Å; P281-V284 WeakPolarHBondContact O-CA 3.29Å; P281-V284 WeakPolarHBondContact O-CB 3.42Å; P281-V284 PolarHBondContact O-N 3.27Å; A282-V284 VanDerWaalsContact C-N 3.34Å; V284-R286 PolarHBondContact O-N 3.25Å
285	A	97.4	Very high	94.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-80.2	45.3	-176.9	0	0	0	0	0	113.9	L218 V220 G221 P280 P281	L218-A285 VanDerWaalsContact O-CB 3.24Å; L218-A285 WeakPolarHBondContact O-CB 3.33Å; V220-A285 HydrophobicContact CB-CB 3.67Å; V220-A285 HydrophobicContact CG2-CB 3.44Å; V220-A285 VanDerWaalsContact CG2-CB 3.44Å; V220-A285 PolarHBondContact N-O 3.44Å; G221-A285 PolarHBondContact N-O 3.07Å; G221-A285 VanDerWaalsContact N-O 3.15Å; P280-A285 HydrophobicContact CB-CB 4.05Å; P280-A285 HydrophobicContact CG-CB 4.18Å; P281-A285 PolarHBondContact O-N 3.24Å
286	R	97.9	Very high	93.5	Very high	97 Å²	97	71 Å²	71	37%	0.366	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.3	177.1	-66.5	-175.2	177.9	171.7	0.3	111.5	E203 G221 Y227 A282 V284	E203-R286 HydrophobicContact CB-CB 4.26Å; E203-R286 PolarHBondContact N-O 3.15Å; E203-R286 WeakPolarHBondContact OE2-CB 3.43Å; G221-R286 WeakPolarHBondContact O-CA 3.41Å; Y227-R286 HydrophobicContact CD1-CB 3.77Å; Y227-R286 HydrophobicContact CD1-CG 3.69Å; Y227-R286 HydrophobicContact CE1-CB 4.05Å; Y227-R286 HydrophobicContact CE1-CG 4.37Å; Y227-R286 HydrophobicContact CG-CG 4.17Å; A282-R286 WeakPolarHBondContact O-CG 3.31Å; V284-R286 PolarHBondContact O-N 3.25Å
287	Y	98.5	Very high	92.8	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.5	-179.9	-76.4	-108.4	0	0	0	111.2	L200 V201 P202 N207 Y209 L218 V219 G221 R222 N223 V238	L200-Y287 HydrophobicContact CB-CD1 3.75Å; L200-Y287 HydrophobicContact CB-CE1 4.38Å; V201-Y287 VanDerWaalsContact C-CD1 3.47Å; V201-Y287 CarbonylContact O-C 3.58Å; V201-Y287 VanDerWaalsContact O-CA 3.27Å; V201-Y287 WeakPolarHBondContact O-CA 3.32Å; P202-Y287 HydrophobicContact CB-CD1 4.18Å; P202-Y287 HydrophobicContact CB-CE1 3.72Å; P202-Y287 HydrophobicContact CB-CE2 4.4Å; P202-Y287 HydrophobicContact CG-CE1 4.36Å; N207-Y287 VanDerWaalsContact ND2-CE2 3.33Å; N207-Y287 WeakPolarHBondContact ND2-CE2 3.32Å; N207-Y287 PolarHBondContact ND2-OH 3.48Å; Y209-Y287 WeakPolarHBondContact CE2-OH 3.48Å; Y209-Y287 VanDerWaalsContact OH-CE1 3.3Å; Y209-Y287 WeakPolarHBondContact OH-CE1 3.48Å; Y209-Y287 PolarHBondContact OH-OH 3.02Å; L218-Y287 WeakPolarHBondContact CB-OH 3.42Å; L218-Y287 WeakPolarHBondContact O-CE2 3.42Å; V219-Y287 HydrophobicContact CB-CD2 4.15Å; V219-Y287 HydrophobicContact CB-CE2 4.28Å; V219-Y287 HydrophobicContact CG1-CD2 3.97Å; V219-Y287 HydrophobicContact CG1-CG 4.28Å; V219-Y287 HydrophobicContact CG2-CD1 4.37Å; V219-Y287 HydrophobicContact CG2-CD2 3.86Å; V219-Y287 HydrophobicContact CG2-CE1 4.22Å; V219-Y287 HydrophobicContact CG2-CE2 3.76Å; V219-Y287 HydrophobicContact CG2-CG 4.18Å; G221-Y287 PolarHBondContact O-N 3.48Å; R222-Y287 CarbonylContact C-O 3.43Å; R222-Y287 WeakPolarHBondContact CA-O 3.36Å; N223-Y287 PolarHBondContact N-O 3.48Å; V238-Y287 HydrophobicContact CB-CE1 4.4Å; V238-Y287 HydrophobicContact CG2-CD1 4.47Å; V238-Y287 HydrophobicContact CG2-CE1 3.73Å
288	T	98.3	Very high	92.5	Very high	21 Å²	21	63.7 Å²	63.7	13%	0.129	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.2	163.7	-75.4	0	0	0	0	108.7	F95 V201 E203	F95-T288 HydrophobicContact CE2-CG2 3.62Å; F95-T288 HydrophobicContact CZ-CG2 3.62Å; V201-T288 PolarHBondContact N-O 2.95Å; V201-T288 PolarHBondContact O-N 3.04Å; E203-T288 PolarHBondContact OE1-N 3.49Å; E203-T288 PolarHBondContact OE1-OG1 3Å
289	M	96.9	Very high	92.3	Very high	39 Å²	39	65.9 Å²	65.9	19%	0.192	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.5	167.8	-172.3	-176.9	-176	0	0	108.9	D199 L200 N223 V224 F291	D199-M289 CarbonylContact O-C 3.57Å; D199-M289 VanDerWaalsContact O-CA 3.32Å; D199-M289 WeakPolarHBondContact O-CA 3.4Å; D199-M289 WeakPolarHBondContact OD2-CE 3.32Å; L200-M289 HydrophobicContact CD2-CB 3.83Å; L200-M289 HydrophobicContact CD2-CG 3.95Å; N223-M289 PolarHBondContact ND2-O 3.34Å; N223-M289 WeakPolarHBondContact OD1-CB 3.33Å; N223-M289 PolarHBondContact OD1-N 2.78Å; V224-M289 HydrophobicContact CG1-CB 4.38Å; V224-M289 HydrophobicContact CG1-SD 4.42Å; V224-M289 HydrophobicContact CG2-CB 4.29Å; V224-M289 HydrophobicContact CG2-SD 3.8Å; M289-F291 PolarHBondContact O-N 2.87Å
290	V	95.2	Very high	92.1	Very high	17 Å²	17	64.9 Å²	64.9	10%	0.103	33%	0.334	C	S	.	.			trans	-70.6	109.2	173.7	-178.9	0	0	0	0	108.2	F95 H139 Y142 D199 V201	F95-V290 HydrophobicContact CD1-CG2 3.86Å; F95-V290 HydrophobicContact CE1-CG2 3.42Å; F95-V290 VanDerWaalsContact CE1-CG2 3.42Å; F95-V290 HydrophobicContact CZ-CG2 4.01Å; H139-V290 PolarHBondContact NE2-O 3.44Å; H139-V290 VanDerWaalsContact NE2-O 3.13Å; Y142-V290 HydrophobicContact CD2-CG1 3.96Å; Y142-V290 HydrophobicContact CE2-CG1 4.37Å; D199-V290 PolarHBondContact O-N 2.88Å; V201-V290 HydrophobicContact CG2-CG2 4.17Å
291	F	89	Confident	92	Very high	164 Å²	164	64.3 Å²	64.3	72%	0.719	33%	0.329	S	S	*	.			trans	-57.2	143.6	-170.3	-179.5	-94.7	0	0	0	113	M289	M289-F291 PolarHBondContact O-N 2.87Å
292	H	85.6	Confident	91.9	Very high	51 Å²	51	70 Å²	70	24%	0.236	35%	0.346	C	S	.	.			trans	-153	155.3	172.6	65.2	85.9	0	0	0	110.8	R136 D199	R136-H292 VanDerWaalsContact CZ-CG 3.49Å; R136-H292 PolarHBondContact NH1-CD2 2.94Å; R136-H292 PolarHBondContact NH2-CE1 3.38Å; R136-H292 PolarHBondContact NH2-ND1 3.5Å; D199-H292 IonicContact OD2-CD2 3.34Å; D199-H292 PolarHBondContact OD2-CD2 3.41Å; D199-H292 IonicContact OD2-NE2 3.21Å; D199-H292 PolarHBondContact OD2-NE2 3.03Å; D199-H292 VanDerWaalsContact OD2-NE2 3.13Å
293	K	82.2	Confident	91.9	Very high	174 Å²	174	70.8 Å²	70.8	76%	0.757	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-75.4	162.8	166	-65.5	-177.5	-177.6	177.1	0	109.4	D295	K293-D295 PolarHBondContact O-N 3.24Å
294	R	82.1	Confident	91.9	Very high	132 Å²	132	69.3 Å²	69.3	50%	0.498	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-59.4	132.1	174.9	-168	72.8	65.3	96.1	10.2	109.8
295	D	81.4	Confident	91.9	Very high	53 Å²	53	74.7 Å²	74.7	28%	0.283	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-75.8	143	179.7	-54.5	-43	0	0	0	112.2	R136 K293 G297 N298	R136-D295 IonicContact CZ-OD1 3.66Å; R136-D295 VanDerWaalsContact CZ-OD1 3.31Å; R136-D295 IonicContact CZ-OD2 3.29Å; R136-D295 IonicContact NE-OD1 3.52Å; R136-D295 PolarHBondContact NE-OD1 3.21Å; R136-D295 IonicContact NE-OD2 3.69Å; R136-D295 PolarHBondContact NE-OD2 3.15Å; R136-D295 IonicContact NH2-OD1 2.69Å; R136-D295 PolarHBondContact NH2-OD1 3.32Å; R136-D295 IonicContact NH2-OD2 3.71Å; R136-D295 PolarHBondContact NH2-OD2 3.5Å; K293-D295 PolarHBondContact O-N 3.24Å; D295-G297 PolarHBondContact O-N 2.85Å; D295-N298 HydrophobicContact CB-CB 4.17Å; D295-N298 PolarHBondContact O-N 2.9Å; D295-N298 VanDerWaalsContact O-N 3.17Å
296	T	82.9	Confident	91.9	Very high	136 Å²	136	81.9 Å²	81.9	83%	0.834	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	130.4	160.9	-54.9	0	0	0	0	109
297	G	84	Confident	91.9	Very high	13 Å²	13	78.5 Å²	78.5	13%	0.134	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	0.7	-176.8	0	0	0	0	0	114	T170 F171 D295	T170-G297 CarbonylContact C-O 3.55Å; T170-G297 WeakPolarHBondContact CA-O 3.44Å; T170-G297 WeakPolarHBondContact CG2-O 3.38Å; F171-G297 PolarHBondContact N-O 3.03Å; D295-G297 PolarHBondContact O-N 2.85Å
298	N	90.9	Very high	91.8	Very high	26 Å²	26	80.4 Å²	80.4	14%	0.139	38%	0.381	C	S	.	.			trans	-128.4	43.4	171.6	-165.8	17.3	0	0	0	111.6	F171 W259 D295	F171-N298 HydrophobicContact CB-CB 4.16Å; W259-N298 PolarHBondContact N-OD1 3.27Å; D295-N298 HydrophobicContact CB-CB 4.17Å; D295-N298 PolarHBondContact O-N 2.9Å; D295-N298 VanDerWaalsContact O-N 3.17Å
299	Q	93.4	Very high	91.8	Very high	96 Å²	96	82.2 Å²	82.2	45%	0.449	40%	0.404	S	S	.	.			trans	-67.2	164	177.4	-62.2	84.2	2	0	0	111.3	W259 N301	W259-Q299 PolarHBondContact N-O 3.38Å; Q299-N301 PolarHBondContact O-N 2.81Å; Q299-N301 VanDerWaalsContact O-N 3.15Å
300	V	94.8	Very high	91.9	Very high	62 Å²	62	84 Å²	84	38%	0.376	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-53.7	122.4	175.5	173.1	0	0	0	0	110.1	W259 K302	W259-V300 HydrophobicContact CE3-CG2 4.02Å; W259-V300 HydrophobicContact CZ3-CG2 4.48Å; V300-K302 PolarHBondContact O-N 3.38Å; V300-K302 VanDerWaalsContact O-N 3.1Å
301	N	95.2	Very high	92	Very high	14 Å²	14	83.3 Å²	83.3	8%	0.075	41%	0.407	C	S	.	.			trans	-68.3	109.4	171.3	-178.4	-14.3	0	0	0	109.1	W257 W259 Q299 N303 R304	W257-N301 WeakPolarHBondContact O-CB 3.5Å; W257-N301 VanDerWaalsContact O-CG 3.27Å; W257-N301 PolarHBondContact O-ND2 2.56Å; W259-N301 PolarHBondContact O-N 3.28Å; Q299-N301 PolarHBondContact O-N 2.81Å; Q299-N301 VanDerWaalsContact O-N 3.15Å; N301-N303 PolarHBondContact O-N 2.87Å; N301-N303 WeakPolarHBondContact OD1-CA 3.48Å; N301-N303 WeakPolarHBondContact OD1-CB 3.31Å; N301-N303 PolarHBondContact OD1-N 3.15Å; N301-R304 HydrophobicContact CB-CB 4.2Å; N301-R304 WeakPolarHBondContact O-CB 3.37Å; N301-R304 WeakPolarHBondContact O-CD 3.43Å; N301-R304 VanDerWaalsContact O-CG 3.24Å; N301-R304 WeakPolarHBondContact O-CG 3.28Å; N301-R304 PolarHBondContact O-N 3.5Å; N301-R304 PolarHBondContact OD1-N 2.83Å
302	K	95.3	Very high	92.4	Very high	201 Å²	201	79 Å²	79	87%	0.874	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.6	-179.8	-64.5	-178.3	-178.6	176.9	0	112.6	V300	V300-K302 PolarHBondContact O-N 3.38Å; V300-K302 VanDerWaalsContact O-N 3.1Å
303	N	95.1	Very high	93	Very high	71 Å²	71	84.7 Å²	84.7	38%	0.38	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.5	-178.7	-65.6	-40.6	0	0	0	113.6	N301 M305 R306 L307	N301-N303 PolarHBondContact O-N 2.87Å; N301-N303 WeakPolarHBondContact OD1-CA 3.48Å; N301-N303 WeakPolarHBondContact OD1-CB 3.31Å; N301-N303 PolarHBondContact OD1-N 3.15Å; N303-M305 VanDerWaalsContact C-N 3.26Å; N303-M305 PolarHBondContact O-N 3.3Å; N303-M305 VanDerWaalsContact O-N 3.11Å; N303-R306 WeakPolarHBondContact O-CA 3.45Å; N303-R306 WeakPolarHBondContact O-CB 3.39Å; N303-R306 PolarHBondContact O-N 2.93Å; N303-L307 HydrophobicContact CB-CG 4.47Å; N303-L307 PolarHBondContact O-N 2.99Å
304	R	96.2	Very high	93.7	Very high	71 Å²	71	81.4 Å²	81.4	27%	0.268	41%	0.405	S	S	.	.	H	α-helix	trans	-53.3	-38	-172.6	68.5	-170.5	178.4	-168.2	-0.5	115	Y256 W259 G260 N301 L307 L308	Y256-R304 HydrophobicContact CE1-CB 4.21Å; W259-R304 PolarHBondContact O-NH1 3.09Å; G260-R304 WeakPolarHBondContact O-CB 3.09Å; N301-R304 HydrophobicContact CB-CB 4.2Å; N301-R304 WeakPolarHBondContact O-CB 3.37Å; N301-R304 WeakPolarHBondContact O-CD 3.43Å; N301-R304 VanDerWaalsContact O-CG 3.24Å; N301-R304 WeakPolarHBondContact O-CG 3.28Å; N301-R304 PolarHBondContact O-N 3.5Å; N301-R304 PolarHBondContact OD1-N 2.83Å; R304-L307 PolarHBondContact O-N 2.78Å; R304-L308 VanDerWaalsContact O-CB 3.29Å; R304-L308 WeakPolarHBondContact O-CB 3.38Å; R304-L308 PolarHBondContact O-N 3.19Å
305	M	97.7	Very high	94.5	Very high	131 Å²	131	76.2 Å²	76.2	65%	0.645	39%	0.385	S	S	*	.	H	α-helix	trans	-72.6	-34.8	179.4	-61.2	-51.4	-59.8	0	0	111.5	N303 L308 G309	N303-M305 VanDerWaalsContact C-N 3.26Å; N303-M305 PolarHBondContact O-N 3.3Å; N303-M305 VanDerWaalsContact O-N 3.11Å; M305-L308 HydrophobicContact CE-CD2 4.42Å; M305-G309 PolarHBondContact O-N 2.87Å
306	R	97.3	Very high	95.2	Very high	151 Å²	151	82 Å²	82	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-66.8	-44.3	173.9	-176.4	-177.8	71.8	-175.4	2.8	110.7	N303 G309 Q310	N303-R306 WeakPolarHBondContact O-CA 3.45Å; N303-R306 WeakPolarHBondContact O-CB 3.39Å; N303-R306 PolarHBondContact O-N 2.93Å; R306-G309 PolarHBondContact O-N 3.3Å; R306-Q310 WeakPolarHBondContact O-CG 3.41Å; R306-Q310 PolarHBondContact O-N 3.3Å
307	L	97.4	Very high	96	Very high	26 Å²	26	80 Å²	80	14%	0.136	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-48.5	175.8	-67.4	172.6	0	0	0	110.8	N255 Y256 N303 R304 G309 Q310 T311	N255-L307 HydrophobicContact CB-CD2 4.19Å; N255-L307 WeakPolarHBondContact O-CD1 3.26Å; Y256-L307 HydrophobicContact CD1-CD1 4.06Å; Y256-L307 HydrophobicContact CD2-CD1 4.23Å; Y256-L307 HydrophobicContact CE1-CB 3.96Å; Y256-L307 HydrophobicContact CE1-CD1 4.1Å; Y256-L307 HydrophobicContact CE2-CB 3.93Å; Y256-L307 HydrophobicContact CE2-CD1 4.27Å; Y256-L307 HydrophobicContact CG-CD1 4.14Å; Y256-L307 WeakPolarHBondContact OH-CB 3.45Å; N303-L307 HydrophobicContact CB-CG 4.47Å; N303-L307 PolarHBondContact O-N 2.99Å; R304-L307 PolarHBondContact O-N 2.78Å; L307-G309 VanDerWaalsContact C-N 3.29Å; L307-G309 PolarHBondContact O-N 3.43Å; L307-Q310 WeakPolarHBondContact O-CA 3.37Å; L307-Q310 WeakPolarHBondContact O-CB 3.42Å; L307-Q310 PolarHBondContact O-N 3.47Å; L307-T311 PolarHBondContact O-N 3.38Å
308	L	98	Very high	96.6	Very high	39 Å²	39	80.1 Å²	80.1	20%	0.204	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-37	179.3	-176.2	61.9	0	0	0	112.3	Y256 D264 D265 V268 R304 M305 Q310 T311	Y256-L308 VanDerWaalsContact OH-CA 3.29Å; Y256-L308 WeakPolarHBondContact OH-CA 3.47Å; Y256-L308 PolarHBondContact OH-N 3.43Å; D264-L308 HydrophobicContact CB-CD1 3.78Å; D264-L308 HydrophobicContact CB-CD2 4.02Å; D265-L308 HydrophobicContact CB-CD1 4.43Å; V268-L308 HydrophobicContact CG2-CD1 4.36Å; R304-L308 VanDerWaalsContact O-CB 3.29Å; R304-L308 WeakPolarHBondContact O-CB 3.38Å; R304-L308 PolarHBondContact O-N 3.19Å; M305-L308 HydrophobicContact CE-CD2 4.42Å; L308-Q310 PolarHBondContact O-N 2.99Å; L308-T311 PolarHBondContact O-N 3.02Å; L308-T311 PolarHBondContact O-OG1 3.27Å
309	G	97.9	Very high	97	Very high	59 Å²	59	78.9 Å²	78.9	61%	0.608	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.4	173.6	0	0	0	0	0	114.4	M305 R306 L307	M305-G309 PolarHBondContact O-N 2.87Å; R306-G309 PolarHBondContact O-N 3.3Å; L307-G309 VanDerWaalsContact C-N 3.29Å; L307-G309 PolarHBondContact O-N 3.43Å
310	Q	97.5	Very high	97.3	Very high	77 Å²	77	75.2 Å²	75.2	36%	0.36	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-6	-179.3	-66.8	178.2	-0.4	0	0	113.4	R306 L307 L308 T312 K313 K314	R306-Q310 WeakPolarHBondContact O-CG 3.41Å; R306-Q310 PolarHBondContact O-N 3.3Å; L307-Q310 WeakPolarHBondContact O-CA 3.37Å; L307-Q310 WeakPolarHBondContact O-CB 3.42Å; L307-Q310 PolarHBondContact O-N 3.47Å; L308-Q310 PolarHBondContact O-N 2.99Å; Q310-T312 PolarHBondContact O-N 3.39Å; Q310-K313 WeakPolarHBondContact O-CB 3.43Å; Q310-K313 PolarHBondContact O-N 3.03Å; Q310-K314 HydrophobicContact CB-CG 4.14Å; Q310-K314 PolarHBondContact O-N 3.05Å
311	T	98.3	Very high	97.4	Very high	2 Å²	2	77.3 Å²	77.3	1%	0.012	37%	0.374	C	S	.	.	H	α-helix	trans	-49.5	-51.9	-174.4	-53.8	0	0	0	0	112.6	D265 V268 R269 L307 L308 K313 K314 W315	D265-T311 HydrophobicContact CB-CG2 4.38Å; D265-T311 VanDerWaalsContact CG-CG2 3.48Å; D265-T311 VanDerWaalsContact OD2-CB 3.24Å; D265-T311 WeakPolarHBondContact OD2-CB 3.48Å; D265-T311 WeakPolarHBondContact OD2-CG2 3.44Å; D265-T311 PolarHBondContact OD2-OG1 2.87Å; V268-T311 HydrophobicContact CB-CG2 3.85Å; V268-T311 HydrophobicContact CG1-CG2 3.65Å; R269-T311 HydrophobicContact CG-CG2 4.04Å; L307-T311 PolarHBondContact O-N 3.38Å; L308-T311 PolarHBondContact O-N 3.02Å; L308-T311 PolarHBondContact O-OG1 3.27Å; T311-K313 PolarHBondContact O-N 2.91Å; T311-K313 VanDerWaalsContact O-N 3.09Å; T311-K314 PolarHBondContact O-N 3.47Å; T311-K314 VanDerWaalsContact O-N 3.07Å; T311-W315 WeakPolarHBondContact O-CB 3.29Å; T311-W315 PolarHBondContact O-N 2.9Å
312	T	97.7	Very high	97.6	Very high	74 Å²	74	78.8 Å²	78.8	45%	0.454	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-24.2	-177.7	57	0	0	0	0	113.6	V268 Q272 Q310	V268-T312 HydrophobicContact CG1-CG2 3.87Å; Q272-T312 HydrophobicContact CG-CG2 4.39Å; Q310-T312 PolarHBondContact O-N 3.39Å
313	K	97.6	Very high	97.8	Very high	170 Å²	170	70 Å²	70	74%	0.739	35%	0.349	S	S	*	.	H	α-helix	trans	-90.2	-28.7	177.7	-60.7	179.1	-179	178	0	113	Q310 T311	Q310-K313 WeakPolarHBondContact O-CB 3.43Å; Q310-K313 PolarHBondContact O-N 3.03Å; T311-K313 PolarHBondContact O-N 2.91Å; T311-K313 VanDerWaalsContact O-N 3.09Å
314	K	97.2	Very high	97.9	Very high	106 Å²	106	71.8 Å²	71.8	46%	0.461	36%	0.362	S	S	.	.	H	α-helix	trans	-107.6	-21.6	-167.8	-68.2	-67	-172.5	174.7	0	114.4	Q310 T311 R316 V317 D318	Q310-K314 HydrophobicContact CB-CG 4.14Å; Q310-K314 PolarHBondContact O-N 3.05Å; T311-K314 PolarHBondContact O-N 3.47Å; T311-K314 VanDerWaalsContact O-N 3.07Å; K314-R316 PolarHBondContact O-N 2.93Å; K314-V317 HydrophobicContact CD-CG2 4.3Å; K314-V317 VanDerWaalsContact O-CG2 3.32Å; K314-V317 WeakPolarHBondContact O-CG2 3.47Å; K314-V317 PolarHBondContact O-N 3.48Å; K314-D318 PolarHBondContact O-N 3.29Å
315	W	97.7	Very high	98	Very high	22 Å²	22	70.4 Å²	70.4	8%	0.083	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.4	-171.2	75.3	-89.2	0	0	0	114.7	N250 R269 Q273 T311 V317	N250-W315 HydrophobicContact CB-CE3 4.21Å; N250-W315 HydrophobicContact CB-CZ3 4.36Å; N250-W315 PolarHBondContact ND2-O 3.16Å; R269-W315 HydrophobicContact CG-CB 3.8Å; R269-W315 HydrophobicContact CG-CG 4.42Å; Q273-W315 VanDerWaalsContact NE2-CZ2 3.33Å; T311-W315 WeakPolarHBondContact O-CB 3.29Å; T311-W315 PolarHBondContact O-N 2.9Å; W315-V317 VanDerWaalsContact C-N 3.34Å; W315-V317 PolarHBondContact O-N 3.49Å
316	R	97.9	Very high	98.1	Very high	175 Å²	175	68.8 Å²	68.8	66%	0.66	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.6	177.5	-65.4	-171.3	179.1	-168.9	-0.5	114.6	K314 N321	K314-R316 PolarHBondContact O-N 2.93Å; R316-N321 PolarHBondContact O-ND2 3.11Å
317	V	98.1	Very high	98.1	Very high	95 Å²	95	64.5 Å²	64.5	58%	0.576	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-11.6	-176.6	-60.6	0	0	0	0	112.8	K314 W315 S322	K314-V317 HydrophobicContact CD-CG2 4.3Å; K314-V317 VanDerWaalsContact O-CG2 3.32Å; K314-V317 WeakPolarHBondContact O-CG2 3.47Å; K314-V317 PolarHBondContact O-N 3.48Å; W315-V317 VanDerWaalsContact C-N 3.34Å; W315-V317 PolarHBondContact O-N 3.49Å; V317-S322 WeakPolarHBondContact O-CB 3.12Å; V317-S322 PolarHBondContact O-OG 3.18Å
318	D	98.3	Very high	98.2	Very high	14 Å²	14	68.1 Å²	68.1	8%	0.075	36%	0.361	C	S	.	.	S	Bend	trans	-119.7	101.1	175.5	174.4	25.4	0	0	0	109.7	S253 N254 N255 R269 K314 S322	S253-D318 WeakPolarHBondContact CB-OD2 3.38Å; S253-D318 PolarHBondContact OG-OD2 3.42Å; N254-D318 WeakPolarHBondContact CB-OD1 3.43Å; N254-D318 PolarHBondContact N-OD1 3.3Å; N255-D318 PolarHBondContact ND2-OD1 3.49Å; N255-D318 PolarHBondContact ND2-OD2 3.17Å; R269-D318 VanDerWaalsContact CZ-O 3.26Å; R269-D318 PolarHBondContact NH1-O 2.9Å; R269-D318 PolarHBondContact NH2-O 3.34Å; K314-D318 PolarHBondContact O-N 3.29Å; D318-S322 WeakPolarHBondContact CA-OG 3.4Å
319	G	98.8	Very high	98.2	Very high	0 Å²	0	69 Å²	69	0%	0	37%	0.37	C	S	.	.	S	Bend	trans	174.4	-147	-176.2	0	0	0	0	0	113.8	N250 F252 N254 N321 S322 C323	N250-G319 WeakPolarHBondContact ND2-CA 3.32Å; N250-G319 CarbonylContact O-C 3.56Å; N250-G319 WeakPolarHBondContact O-CA 3.3Å; F252-G319 WeakPolarHBondContact O-CA 3.37Å; N254-G319 PolarHBondContact ND2-O 2.65Å; G319-N321 PolarHBondContact O-N 2.77Å; G319-S322 PolarHBondContact N-OG 2.61Å; G319-S322 VanDerWaalsContact N-OG 3.11Å; G319-S322 CarbonylContact O-C 3.35Å; G319-S322 PolarHBondContact O-N 3.05Å; G319-S322 VanDerWaalsContact O-N 3.08Å; G319-C323 PolarHBondContact O-N 3.21Å
320	L	98.8	Very high	98.2	Very high	20 Å²	20	70.2 Å²	70.2	11%	0.105	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-52.2	-44	175.3	-71	172.5	0	0	0	111.9	N178 Y181 L182 F246 N250 S322 C323	N178-L320 HydrophobicContact CB-CD2 4.08Å; Y181-L320 HydrophobicContact CD1-CD1 4.16Å; Y181-L320 HydrophobicContact CD1-CD2 3.75Å; Y181-L320 HydrophobicContact CE1-CD1 3.89Å; Y181-L320 HydrophobicContact CE1-CD2 4.28Å; L182-L320 HydrophobicContact CD1-CD2 4.32Å; L182-L320 HydrophobicContact CD2-CD2 4.15Å; L182-L320 HydrophobicContact CG-CD2 4.02Å; F246-L320 HydrophobicContact CD1-CD1 3.98Å; F246-L320 HydrophobicContact CE1-CD1 4.1Å; F246-L320 HydrophobicContact CE1-CD2 3.89Å; F246-L320 HydrophobicContact CE1-CG 4.28Å; N250-L320 PolarHBondContact O-N 3.06Å; N250-L320 PolarHBondContact OD1-N 2.91Å; N250-L320 VanDerWaalsContact OD1-N 3.09Å; L320-S322 PolarHBondContact O-N 3.36Å; L320-S322 VanDerWaalsContact O-N 3.13Å; L320-C323 PolarHBondContact O-N 3.34Å
321	N	98.5	Very high	98.3	Very high	105 Å²	105	67.6 Å²	67.6	56%	0.561	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-66.6	-11.2	-178.8	67.8	-10	0	0	0	115.6	N250 R316 G319	N250-N321 PolarHBondContact ND2-OD1 2.8Å; N250-N321 PolarHBondContact OD1-N 3.32Å; N250-N321 VanDerWaalsContact OD1-N 3.09Å; N250-N321 PolarHBondContact OD1-OD1 2.98Å; R316-N321 PolarHBondContact O-ND2 3.11Å; G319-N321 PolarHBondContact O-N 2.77Å
322	S	98.4	Very high	98.3	Very high	46 Å²	46	72 Å²	72	32%	0.322	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-129.9	16.7	178	55.2	0	0	0	0	112.8	N254 V317 D318 G319 L320 V324	N254-S322 PolarHBondContact ND2-O 3.16Å; V317-S322 WeakPolarHBondContact O-CB 3.12Å; V317-S322 PolarHBondContact O-OG 3.18Å; D318-S322 WeakPolarHBondContact CA-OG 3.4Å; G319-S322 PolarHBondContact N-OG 2.61Å; G319-S322 VanDerWaalsContact N-OG 3.11Å; G319-S322 CarbonylContact O-C 3.35Å; G319-S322 PolarHBondContact O-N 3.05Å; G319-S322 VanDerWaalsContact O-N 3.08Å; L320-S322 PolarHBondContact O-N 3.36Å; L320-S322 VanDerWaalsContact O-N 3.13Å; S322-V324 PolarHBondContact O-N 3.09Å
323	C	98.4	Very high	98.3	Very high	15 Å²	15	73.9 Å²	73.9	10%	0.101	38%	0.375	C	S	.	.			trans	-77.5	88.9	178.6	-172.2	0	0	0	0	110.5	N178 L182 N254 G319 L320 Y325	N178-C323 HydrophobicContact CB-CB 4.37Å; L182-C323 HydrophobicContact CD1-CB 4.04Å; N254-C323 WeakPolarHBondContact ND2-CA 3.24Å; N254-C323 PolarHBondContact ND2-N 3.13Å; G319-C323 PolarHBondContact O-N 3.21Å; L320-C323 PolarHBondContact O-N 3.34Å; C323-Y325 WeakPolarHBondContact O-CD1 3.45Å
324	V	98.2	Very high	98.3	Very high	110 Å²	110	68.6 Å²	68.6	67%	0.667	36%	0.358	S	S	*	.			trans	-89.2	127.5	175.9	-177.7	0	0	0	0	110.8	K175 S322	K175-V324 WeakPolarHBondContact CE-O 3.44Å; K175-V324 PolarHBondContact NZ-O 3.47Å; S322-V324 PolarHBondContact O-N 3.09Å
325	Y	98.6	Very high	98.4	Very high	42 Å²	42	63.7 Å²	63.7	17%	0.165	34%	0.337	C	S	.	.			trans	-159.8	160.4	178.6	65.9	-79.2	0	0	0	110.7	V179 L182 E183 C323 T327 V341 N342	V179-Y325 HydrophobicContact CG1-CD2 3.87Å; V179-Y325 HydrophobicContact CG1-CE2 3.72Å; V179-Y325 HydrophobicContact CG1-CG 4.4Å; V179-Y325 HydrophobicContact CG2-CD1 3.68Å; V179-Y325 HydrophobicContact CG2-CD2 3.94Å; V179-Y325 HydrophobicContact CG2-CE1 4.07Å; V179-Y325 HydrophobicContact CG2-CE2 4.3Å; V179-Y325 HydrophobicContact CG2-CG 3.6Å; L182-Y325 HydrophobicContact CD1-CE1 3.82Å; E183-Y325 HydrophobicContact CG-CE2 4.42Å; E183-Y325 VanDerWaalsContact OE1-CE2 3.3Å; E183-Y325 WeakPolarHBondContact OE1-CE2 3.28Å; E183-Y325 PolarHBondContact OE1-OH 2.93Å; C323-Y325 WeakPolarHBondContact O-CD1 3.45Å; Y325-T327 WeakPolarHBondContact CE2-OG1 3.38Å; Y325-V341 HydrophobicContact CD2-CB 4.4Å; Y325-V341 HydrophobicContact CD2-CG1 4.09Å; Y325-V341 HydrophobicContact CE2-CG1 4.47Å; Y325-N342 CarbonylContact C-O 3.56Å; Y325-N342 VanDerWaalsContact CA-O 3.31Å; Y325-N342 WeakPolarHBondContact CA-O 3.2Å; Y325-N342 WeakPolarHBondContact CB-O 3.32Å
326	D	98.6	Very high	98.4	Very high	96 Å²	96	64.2 Å²	64.2	51%	0.513	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.7	170.5	-52.9	-53.1	0	0	0	109.9	L328 V341 N342	D326-L328 HydrophobicContact CB-CD2 4.36Å; D326-L328 PolarHBondContact O-N 3.42Å; D326-V341 CarbonylContact O-C 3.09Å; D326-V341 VanDerWaalsContact O-CA 3.28Å; D326-V341 WeakPolarHBondContact O-CA 3.35Å; D326-N342 HydrophobicContact CB-CB 4.29Å; D326-N342 PolarHBondContact N-O 3.42Å; D326-N342 PolarHBondContact O-N 2.77Å
327	T	98.6	Very high	98.5	Very high	61 Å²	61	56 Å²	56	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	112.3	170.3	-55.2	0	0	0	0	109.2	E183 Y325 V330 I339	E183-T327 PolarHBondContact OE1-OG1 3.37Å; Y325-T327 WeakPolarHBondContact CE2-OG1 3.38Å; T327-V330 HydrophobicContact CG2-CG2 3.7Å; T327-I339 HydrophobicContact CG2-CG2 4.4Å
328	L	98.7	Very high	98.5	Very high	103 Å²	103	52.5 Å²	52.5	54%	0.539	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-39.5	-178.8	-55.8	-177.3	0	0	0	111.6	A166 D326 T340 N342	A166-L328 HydrophobicContact CB-CD1 3.59Å; D326-L328 HydrophobicContact CB-CD2 4.36Å; D326-L328 PolarHBondContact O-N 3.42Å; L328-T340 HydrophobicContact CB-CG2 4.26Å; L328-T340 WeakPolarHBondContact CB-O 3.42Å; L328-T340 HydrophobicContact CD1-CG2 4.25Å; L328-T340 PolarHBondContact N-O 3.23Å; L328-N342 HydrophobicContact CD1-CB 4.26Å; L328-N342 HydrophobicContact CD2-CB 4.34Å; L328-N342 HydrophobicContact CG-CB 4.38Å
329	S	98.6	Very high	98.5	Very high	57 Å²	57	52 Å²	52	40%	0.399	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	151.5	174.1	64.4	0	0	0	0	112.5	T340	S329-T340 PolarHBondContact N-O 3.17Å; S329-T340 PolarHBondContact O-N 2.98Å; S329-T340 WeakPolarHBondContact OG-CB 3.32Å
330	V	98.6	Very high	98.6	Very high	84 Å²	84	53.1 Å²	53.1	51%	0.509	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.9	168.7	-177.6	0	0	0	0	107.6	T327 V337 N338 I339	T327-V330 HydrophobicContact CG2-CG2 3.7Å; V330-V337 HydrophobicContact CG1-CG1 4.02Å; V330-N338 CarbonylContact C-O 3.56Å; V330-N338 WeakPolarHBondContact CA-O 3.41Å; V330-I339 HydrophobicContact CG1-CG1 4.47Å; V330-I339 HydrophobicContact CG2-CG2 4.43Å
331	G	98.3	Very high	98.6	Very high	22 Å²	22	52.2 Å²	52.2	23%	0.227	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127	-178.4	0	0	0	0	0	111	N338	G331-N338 PolarHBondContact N-O 3.25Å; G331-N338 PolarHBondContact O-N 2.84Å
332	R	98.3	Very high	98.6	Very high	94 Å²	94	50.1 Å²	50.1	36%	0.355	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	104.8	175.9	-72.6	-177.4	165.2	-105.5	17.6	109.9	K113 E115 D187 V337	K113-R332 HydrophobicContact CB-CB 4.01Å; K113-R332 HydrophobicContact CG-CB 4.35Å; K113-R332 PolarHBondContact O-NH1 2.88Å; E115-R332 IonicContact OE2-NH1 3.2Å; E115-R332 PolarHBondContact OE2-NH1 3.03Å; E115-R332 IonicContact OE2-NH2 2.89Å; D187-R332 IonicContact OD1-CZ 3.38Å; D187-R332 IonicContact OD1-NH2 3.44Å; D187-R332 PolarHBondContact OD1-NH2 2.86Å; D187-R332 IonicContact OD2-CZ 3.13Å; D187-R332 IonicContact OD2-NH2 2.79Å; D187-R332 PolarHBondContact OD2-NH2 3.37Å; R332-V337 HydrophobicContact CG-CG1 4.18Å; R332-V337 HydrophobicContact CG-CG2 4.15Å
333	Y	97.9	Very high	98.6	Very high	115 Å²	115	48.1 Å²	48.1	45%	0.451	26%	0.26	S	S	.	.			trans	-89.9	165.5	173.1	-64.5	-78	0	0	0	110.3	K113 G114 L335 Y336 N338	K113-Y333 CarbonylContact C-O 3.6Å; K113-Y333 WeakPolarHBondContact CA-O 3.34Å; G114-Y333 PolarHBondContact N-O 2.77Å; Y333-L335 VanDerWaalsContact C-N 3.25Å; Y333-L335 PolarHBondContact O-N 2.91Å; Y333-Y336 WeakPolarHBondContact CA-O 3.43Å; Y333-Y336 WeakPolarHBondContact CB-O 3.4Å; Y333-Y336 HydrophobicContact CD2-CD2 4.36Å; Y333-Y336 AromaticContact CD2-CE2 3.85Å; Y333-Y336 HydrophobicContact CD2-CE2 3.85Å; Y333-Y336 AromaticContact CD2-CZ 3.98Å; Y333-Y336 HydrophobicContact CE2-CE2 4.43Å; Y333-Y336 PolarHBondContact N-O 2.69Å; Y333-N338 HydrophobicContact CD2-CB 3.76Å; Y333-N338 HydrophobicContact CE2-CB 3.46Å; Y333-N338 VanDerWaalsContact CE2-CB 3.46Å
334	P	98.3	Very high	98.5	Very high	59 Å²	59	48.9 Å²	48.9	38%	0.383	27%	0.271	S	S	.	.	S	Bend	trans	-52.2	-43.9	-179.5	-29.6	37.1	0	0	0	113.4	E105 K113 G114	E105-P334 HydrophobicContact CG-CB 4.11Å; K113-P334 PolarHBondContact N-O 3.33Å; G114-P334 PolarHBondContact N-O 2.78Å
335	L	98.7	Very high	98.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	-98.9	-18.3	-172.2	-64.6	176.6	0	0	0	115.1	L101 V104 E105 N108 V111 G114 L144 H148 Y333	L101-L335 HydrophobicContact CD1-CD1 3.78Å; L101-L335 HydrophobicContact CG-CD1 4.42Å; V104-L335 HydrophobicContact CB-CD1 3.86Å; V104-L335 HydrophobicContact CG1-CD1 3.55Å; V104-L335 HydrophobicContact CG1-CD2 4.43Å; E105-L335 HydrophobicContact CG-CD1 3.67Å; E105-L335 HydrophobicContact CG-CD2 4.39Å; E105-L335 HydrophobicContact CG-CG 3.78Å; N108-L335 HydrophobicContact CB-CD2 3.99Å; V111-L335 HydrophobicContact CB-CD2 4.48Å; G114-L335 VanDerWaalsContact CA-C 3.49Å; L144-L335 HydrophobicContact CD1-CB 4.37Å; H148-L335 PolarHBondContact CE1-O 3.33Å; H148-L335 PolarHBondContact NE2-O 2.83Å; H148-L335 VanDerWaalsContact NE2-O 3.14Å; Y333-L335 VanDerWaalsContact C-N 3.25Å; Y333-L335 PolarHBondContact O-N 2.91Å
336	Y	98.9	Very high	97.8	Very high	34 Å²	34	51.4 Å²	51.4	13%	0.133	28%	0.282	C	S	.	.			trans	-159.2	160.4	-178.9	62.9	-82.7	0	0	0	112.3	G114 L144 I160 V162 Y333 N338	G114-Y336 VanDerWaalsContact CA-CA 3.44Å; G114-Y336 VanDerWaalsContact CA-N 3.33Å; L144-Y336 HydrophobicContact CD1-CD1 3.7Å; L144-Y336 HydrophobicContact CD1-CE1 4.03Å; I160-Y336 CarbonylContact O-C 3.55Å; I160-Y336 WeakPolarHBondContact O-CA 3.49Å; I160-Y336 WeakPolarHBondContact O-CB 3.43Å; V162-Y336 HydrophobicContact CB-CD2 3.71Å; V162-Y336 HydrophobicContact CB-CE2 4.07Å; V162-Y336 HydrophobicContact CG2-CD2 3.39Å; V162-Y336 HydrophobicContact CG2-CE2 4Å; V162-Y336 HydrophobicContact CG2-CG 3.81Å; Y333-Y336 WeakPolarHBondContact CA-O 3.43Å; Y333-Y336 WeakPolarHBondContact CB-O 3.4Å; Y333-Y336 HydrophobicContact CD2-CD2 4.36Å; Y333-Y336 AromaticContact CD2-CE2 3.85Å; Y333-Y336 HydrophobicContact CD2-CE2 3.85Å; Y333-Y336 AromaticContact CD2-CZ 3.98Å; Y333-Y336 HydrophobicContact CE2-CE2 4.43Å; Y333-Y336 PolarHBondContact N-O 2.69Å; Y336-N338 HydrophobicContact CD2-CB 4.22Å; Y336-N338 HydrophobicContact CE2-CB 3.83Å
337	V	98.9	Very high	96.8	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.9	167.3	-171.4	0	0	0	0	108.4	I160 Y161 V162 V330 R332 I339	I160-V337 PolarHBondContact O-N 3.36Å; Y161-V337 CarbonylContact C-O 3.57Å; Y161-V337 WeakPolarHBondContact CA-O 3.32Å; Y161-V337 HydrophobicContact CD1-CB 3.73Å; Y161-V337 HydrophobicContact CD1-CG1 3.99Å; Y161-V337 HydrophobicContact CD1-CG2 4.19Å; Y161-V337 HydrophobicContact CE1-CB 4.04Å; Y161-V337 HydrophobicContact CE1-CG1 4.16Å; Y161-V337 HydrophobicContact CE1-CG2 4.05Å; V162-V337 PolarHBondContact N-O 3.24Å; V330-V337 HydrophobicContact CG1-CG1 4.02Å; R332-V337 HydrophobicContact CG-CG1 4.18Å; R332-V337 HydrophobicContact CG-CG2 4.15Å; V337-I339 HydrophobicContact CG1-CG1 4.32Å
338	N	98.8	Very high	94.8	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.112	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.8	173.7	-175.2	77.1	0	0	0	110.3	V330 G331 Y333 Y336 T340	V330-N338 CarbonylContact C-O 3.56Å; V330-N338 WeakPolarHBondContact CA-O 3.41Å; G331-N338 PolarHBondContact N-O 3.25Å; G331-N338 PolarHBondContact O-N 2.84Å; Y333-N338 HydrophobicContact CD2-CB 3.76Å; Y333-N338 HydrophobicContact CE2-CB 3.46Å; Y333-N338 VanDerWaalsContact CE2-CB 3.46Å; Y336-N338 HydrophobicContact CD2-CB 4.22Å; Y336-N338 HydrophobicContact CE2-CB 3.83Å; N338-T340 PolarHBondContact ND2-OG1 3.1Å
339	I	98.9	Very high	94.6	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.015	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	107.1	175.1	-55.2	171.1	0	0	0	107.3	Y161 V162 I163 H164 E183 T327 V330 V337 V341	Y161-I339 HydrophobicContact CD1-CD1 3.8Å; V162-I339 PolarHBondContact O-N 3.19Å; I163-I339 CarbonylContact C-O 3.52Å; I163-I339 WeakPolarHBondContact CA-O 3.43Å; H164-I339 PolarHBondContact N-O 2.81Å; E183-I339 HydrophobicContact CB-CD1 3.55Å; E183-I339 HydrophobicContact CG-CD1 4.09Å; E183-I339 HydrophobicContact CG-CG2 3.99Å; T327-I339 HydrophobicContact CG2-CG2 4.4Å; V330-I339 HydrophobicContact CG1-CG1 4.47Å; V330-I339 HydrophobicContact CG2-CG2 4.43Å; V337-I339 HydrophobicContact CG1-CG1 4.32Å; I339-V341 HydrophobicContact CG2-CG1 3.69Å
340	T	98.9	Very high	94.4	Very high	25 Å²	25	59.7 Å²	59.7	15%	0.153	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.1	176.8	-62.2	0	0	0	0	109.6	H164 A166 L328 S329 N338	H164-T340 WeakPolarHBondContact O-CA 3.33Å; A166-T340 HydrophobicContact CB-CG2 4.06Å; L328-T340 HydrophobicContact CB-CG2 4.26Å; L328-T340 WeakPolarHBondContact CB-O 3.42Å; L328-T340 HydrophobicContact CD1-CG2 4.25Å; L328-T340 PolarHBondContact N-O 3.23Å; S329-T340 PolarHBondContact N-O 3.17Å; S329-T340 PolarHBondContact O-N 2.98Å; S329-T340 WeakPolarHBondContact OG-CB 3.32Å; N338-T340 PolarHBondContact ND2-OG1 3.1Å
341	V	98.8	Very high	94.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.3	-174.1	-62.9	0	0	0	0	113	I163 H164 A166 L176 V179 Y325 D326 I339 I343	I163-V341 HydrophobicContact CG2-CG2 3.95Å; H164-V341 PolarHBondContact O-N 3.15Å; A166-V341 WeakPolarHBondContact CB-O 3.43Å; A166-V341 PolarHBondContact N-O 3.34Å; L176-V341 HydrophobicContact CD2-CG2 3.74Å; V179-V341 HydrophobicContact CG1-CB 4.36Å; V179-V341 HydrophobicContact CG1-CG1 3.69Å; V179-V341 HydrophobicContact CG1-CG2 4.14Å; Y325-V341 HydrophobicContact CD2-CB 4.4Å; Y325-V341 HydrophobicContact CD2-CG1 4.09Å; Y325-V341 HydrophobicContact CE2-CG1 4.47Å; D326-V341 CarbonylContact O-C 3.09Å; D326-V341 VanDerWaalsContact O-CA 3.28Å; D326-V341 WeakPolarHBondContact O-CA 3.35Å; I339-V341 HydrophobicContact CG2-CG1 3.69Å; V341-I343 HydrophobicContact CB-CG2 4.43Å; V341-I343 HydrophobicContact CG2-CG2 3.75Å
342	N	98.6	Very high	93.9	Very high	62 Å²	62	60.5 Å²	60.5	33%	0.332	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.7	162.9	178.9	10.8	0	0	0	108.9	Y325 D326 L328 G344	Y325-N342 CarbonylContact C-O 3.56Å; Y325-N342 VanDerWaalsContact CA-O 3.31Å; Y325-N342 WeakPolarHBondContact CA-O 3.2Å; Y325-N342 WeakPolarHBondContact CB-O 3.32Å; D326-N342 HydrophobicContact CB-CB 4.29Å; D326-N342 PolarHBondContact N-O 3.42Å; D326-N342 PolarHBondContact O-N 2.77Å; L328-N342 HydrophobicContact CD1-CB 4.26Å; L328-N342 HydrophobicContact CD2-CB 4.34Å; L328-N342 HydrophobicContact CG-CB 4.38Å; N342-G344 PolarHBondContact OD1-N 3.37Å
343	I	98.3	Very high	93.6	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.015	32%	0.324	C	S	.	.			trans	-103.1	11.4	-179.4	61.5	167.5	0	0	0	113	Q165 N172 K175 L176 V179 W257 V341	Q165-I343 VanDerWaalsContact CD-CD1 3.48Å; Q165-I343 HydrophobicContact CG-CD1 3.99Å; Q165-I343 HydrophobicContact CG-CG1 4.01Å; N172-I343 HydrophobicContact CB-CD1 3.69Å; K175-I343 HydrophobicContact CB-CD1 4.49Å; K175-I343 HydrophobicContact CD-CB 4.02Å; K175-I343 HydrophobicContact CD-CD1 4.4Å; K175-I343 HydrophobicContact CG-CB 4.42Å; K175-I343 HydrophobicContact CG-CG2 4.49Å; K175-I343 PolarHBondContact NZ-O 3.23Å; L176-I343 HydrophobicContact CD2-CD1 4.14Å; L176-I343 HydrophobicContact CD2-CG2 3.97Å; L176-I343 HydrophobicContact CG-CD1 4.22Å; V179-I343 HydrophobicContact CG2-CG2 4.2Å; W257-I343 HydrophobicContact CH2-CD1 3.94Å; W257-I343 HydrophobicContact CH2-CG1 3.91Å; W257-I343 HydrophobicContact CZ3-CD1 4Å; W257-I343 HydrophobicContact CZ3-CG1 4.26Å; V341-I343 HydrophobicContact CB-CG2 4.43Å; V341-I343 HydrophobicContact CG2-CG2 3.75Å
344	G	96.4	Very high	93.3	Very high	32 Å²	32	54.6 Å²	54.6	33%	0.33	32%	0.315	S	S	.	.			trans	75.6	-154.6	-176.3	0	0	0	0	0	113.1	W257 N342	W257-G344 VanDerWaalsContact CH2-O 3.32Å; W257-G344 WeakPolarHBondContact CH2-O 3.37Å; N342-G344 PolarHBondContact OD1-N 3.37Å
345	Q	94.4	Very high	93	Very high	150 Å²	150	54.3 Å²	54.3	70%	0.701	31%	0.31	S	S	*	.			trans	-130.3	158.3	-175.8	-62.6	-167.5	1.1	0	0	110.7	A169 Q347	A169-Q345 HydrophobicContact CB-CG 3.99Å; Q345-Q347 PolarHBondContact O-N 3.4Å
346	P	89.3	Confident	92.5	Very high	55 Å²	55	58.3 Å²	58.3	36%	0.357	33%	0.333	S	S	.	.			trans	-55.7	134.5	170.2	21.5	-31.4	0	0	0	110.6	W257 S348	W257-P346 HydrophobicContact CB-CB 3.97Å; W257-P346 HydrophobicContact CD2-CB 3.94Å; W257-P346 HydrophobicContact CD2-CG 4.36Å; W257-P346 HydrophobicContact CG-CB 3.63Å; W257-P346 HydrophobicContact CG-CG 4.37Å; P346-S348 PolarHBondContact O-N 3.43Å
347	Q	77.9	Confident	92	Very high	182 Å²	182	60.3 Å²	60.3	85%	0.85	35%	0.35	S	S	*	.			trans	-65.3	127.4	171.2	-66.8	-178.2	-6.2	0	0	109.1	Q345	Q345-Q347 PolarHBondContact O-N 3.4Å
348	S	55.1	Low	91.4	Very high	189 Å²	189	65.6 Å²	65.6	100%	1.322	38%	0.381	S	S	*	.			trans	-61.8	0	-177.8	58.4	0	0	0	0	113.8	P346	P346-S348 PolarHBondContact O-N 3.43Å

Retrieved 348 of 348 residues in 1850.9 ms (Link to these results)

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