A0A077Z4M9_TRITR Loading...

Glycosyl hydrolases family 38 protein

AlphaFold DB , UniProt , Accession A0A077Z4M9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 717 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	37.1	Very low	229 Å²	229	155.5 Å²	155.5	100%	1.128	77%	0.771	S	S	*	*				0	82.2	0	-69.1	176.9	-167.1	0	0	106.6
2	F	30.8	Very low	37.5	Very low	222 Å²	222	148.3 Å²	148.3	97%	0.974	74%	0.743	S	S	*	*				47.8	107.1	96.5	-66.8	-73.3	0	0	0	110.2
3	G	32.3	Very low	37.9	Very low	65 Å²	65	144.8 Å²	144.8	67%	0.67	73%	0.727	S	S	*	*			cis	123.4	62.7	28.7	0	0	0	0	0	108.1
4	F	32.9	Very low	38.2	Very low	189 Å²	189	139.4 Å²	139.4	83%	0.829	71%	0.708	S	S	*	*			trans	-163.2	76.5	178.7	-105	-79.7	0	0	0	111.4
5	R	35.8	Very low	39	Very low	248 Å²	248	138.6 Å²	138.6	94%	0.936	71%	0.705	S	S	*	*			trans	-155.1	73.8	160.4	-80.3	-160.7	176.6	177.9	-3	110.2
6	R	38.2	Very low	39.7	Very low	225 Å²	225	135.6 Å²	135.6	85%	0.849	69%	0.685	S	S	*	*	S	Bend	trans	-139.9	-17.1	164.4	-93.4	-170.5	171.8	-175.2	-3.5	114
7	T	39.2	Very low	40.1	Very low	106 Å²	106	131.5 Å²	131.5	65%	0.65	67%	0.666	S	S	*	*	S	Bend	trans	-84.6	-19.3	-177.5	34.4	0	0	0	0	114.9
8	S	42.4	Very low	40.6	Very low	91 Å²	91	129.2 Å²	129.2	64%	0.636	66%	0.659	S	S	*	*	H	α-helix	trans	-75.7	-28.1	179.6	-173.8	0	0	0	0	113.9	T12	S8-T12 PolarHBondContact O-OG1 2.92Å; S8-T12 VanDerWaalsContact O-OG1 3.05Å
9	L	40.3	Very low	40.8	Very low	135 Å²	135	125.4 Å²	125.4	71%	0.707	65%	0.645	S	S	*	*	H	α-helix	trans	-73.2	-28.2	178.6	-98.8	98.1	0	0	0	112.7	L13	L9-L13 PolarHBondContact O-N 3.07Å
10	F	40.1	Very low	41	Very low	141 Å²	141	121 Å²	121	62%	0.618	63%	0.626	S	S	*	*	H	α-helix	trans	-75.6	-38.2	-177.2	-101.7	-86.7	0	0	0	113.1	T12 L13 C14	F10-T12 VanDerWaalsContact C-N 3.35Å; F10-L13 PolarHBondContact O-N 3.06Å; F10-C14 PolarHBondContact O-N 3.45Å; F10-C14 VanDerWaalsContact O-N 3.11Å
11	A	42.1	Very low	41.2	Very low	59 Å²	59	122.9 Å²	122.9	49%	0.488	63%	0.626	S	S	.	*	H	α-helix	trans	-67.8	-37.6	178.9	0	0	0	0	0	111.8	I15	A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 2.81Å
12	T	43	Very low	41.9	Very low	70 Å²	70	116 Å²	116	43%	0.429	59%	0.593	S	S	.	*	H	α-helix	trans	-64.5	-46.9	174.8	-42.2	0	0	0	0	110	S8 F10 C14 I15 F16	S8-T12 PolarHBondContact O-OG1 2.92Å; S8-T12 VanDerWaalsContact O-OG1 3.05Å; F10-T12 VanDerWaalsContact C-N 3.35Å; T12-C14 PolarHBondContact O-N 3.16Å; T12-I15 PolarHBondContact O-N 3.41Å; T12-F16 HydrophobicContact CG2-CD2 3.79Å; T12-F16 HydrophobicContact CG2-CE2 3.59Å; T12-F16 WeakPolarHBondContact O-CD2 3.41Å; T12-F16 PolarHBondContact O-N 3.45Å
13	L	42.7	Very low	42.7	Very low	103 Å²	103	109 Å²	109	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-57.3	-43.4	177.7	-127.8	92.6	0	0	0	113.1	L9 F10 F16 L17	L9-L13 PolarHBondContact O-N 3.07Å; F10-L13 PolarHBondContact O-N 3.06Å; L13-F16 PolarHBondContact O-N 2.83Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.37Å; L13-L17 VanDerWaalsContact O-N 3.12Å
14	C	41.5	Very low	43.4	Very low	68 Å²	68	109.4 Å²	109.4	46%	0.459	55%	0.547	S	S	.	.	H	α-helix	trans	-69.6	-36.7	-178	-72.5	0	0	0	0	113.8	F10 T12 F16 V18	F10-C14 PolarHBondContact O-N 3.45Å; F10-C14 VanDerWaalsContact O-N 3.11Å; T12-C14 PolarHBondContact O-N 3.16Å; C14-F16 VanDerWaalsContact C-N 3.31Å; C14-V18 WeakPolarHBondContact O-CG2 3.46Å; C14-V18 PolarHBondContact O-N 3.11Å
15	I	49.6	Very low	44.1	Very low	128 Å²	128	102.8 Å²	102.8	66%	0.656	52%	0.524	S	S	*	.	H	α-helix	trans	-68.1	-36.5	177	-65.8	170.8	0	0	0	110.2	A11 T12 S19	A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 2.81Å; T12-I15 PolarHBondContact O-N 3.41Å; I15-S19 PolarHBondContact O-N 3.15Å
16	F	50.7	Low	44.5	Very low	90 Å²	90	95.7 Å²	95.7	40%	0.395	50%	0.504	S	S	.	.	H	α-helix	trans	-68.8	-41.1	178.7	-86.7	-72.5	0	0	0	113.1	T12 L13 C14 V18 S19 S20 Y238	T12-F16 HydrophobicContact CG2-CD2 3.79Å; T12-F16 HydrophobicContact CG2-CE2 3.59Å; T12-F16 WeakPolarHBondContact O-CD2 3.41Å; T12-F16 PolarHBondContact O-N 3.45Å; L13-F16 PolarHBondContact O-N 2.83Å; C14-F16 VanDerWaalsContact C-N 3.31Å; F16-V18 VanDerWaalsContact C-N 3.3Å; F16-V18 PolarHBondContact O-N 3.06Å; F16-S19 PolarHBondContact O-N 3.25Å; F16-S19 VanDerWaalsContact O-N 3.09Å; F16-S19 PolarHBondContact O-OG 2.66Å; F16-S20 PolarHBondContact O-N 3.25Å; F16-Y238 HydrophobicContact CZ-CE1 4.42Å
17	L	46.9	Very low	45	Very low	67 Å²	67	85.6 Å²	85.6	35%	0.351	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-37.4	179	-70.2	169.9	0	0	0	112.7	L13 S19 Y21	L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.37Å; L13-L17 VanDerWaalsContact O-N 3.12Å; L17-S19 VanDerWaalsContact C-N 3.35Å; L17-Y21 WeakPolarHBondContact O-CB 3.39Å; L17-Y21 PolarHBondContact O-N 3.02Å; L17-Y21 VanDerWaalsContact O-N 3.12Å
18	V	48.5	Very low	45.2	Very low	89 Å²	89	83 Å²	83	54%	0.539	45%	0.449	S	S	.	.	H	α-helix	trans	-67.5	-38.1	175.1	177.6	0	0	0	0	110.7	C14 F16 Y21 I22	C14-V18 WeakPolarHBondContact O-CG2 3.46Å; C14-V18 PolarHBondContact O-N 3.11Å; F16-V18 VanDerWaalsContact C-N 3.3Å; F16-V18 PolarHBondContact O-N 3.06Å; V18-Y21 PolarHBondContact O-N 3.21Å; V18-I22 HydrophobicContact CG1-CD1 3.68Å; V18-I22 HydrophobicContact CG1-CG1 4.33Å; V18-I22 WeakPolarHBondContact O-CB 3.37Å; V18-I22 WeakPolarHBondContact O-CG1 3.35Å; V18-I22 PolarHBondContact O-N 2.97Å
19	S	44.3	Very low	45.1	Very low	57 Å²	57	80.8 Å²	80.8	40%	0.399	43%	0.434	S	S	.	.	H	α-helix	trans	-67.7	-41.4	178.7	70.6	0	0	0	0	113.4	I15 F16 L17 I22 L23	I15-S19 PolarHBondContact O-N 3.15Å; F16-S19 PolarHBondContact O-N 3.25Å; F16-S19 VanDerWaalsContact O-N 3.09Å; F16-S19 PolarHBondContact O-OG 2.66Å; L17-S19 VanDerWaalsContact C-N 3.35Å; S19-I22 PolarHBondContact O-N 2.86Å; S19-L23 WeakPolarHBondContact O-CB 3.23Å; S19-L23 PolarHBondContact O-N 2.69Å
20	S	45.9	Very low	45	Very low	37 Å²	37	77.6 Å²	77.6	26%	0.259	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-41.9	175.7	-61.8	0	0	0	0	111.3	F16 I22 L23 Y24	F16-S20 PolarHBondContact O-N 3.25Å; S20-I22 PolarHBondContact O-N 3.04Å; S20-L23 PolarHBondContact O-N 2.94Å; S20-Y24 WeakPolarHBondContact O-CD2 3.26Å; S20-Y24 PolarHBondContact O-N 3.32Å
21	Y	45.6	Very low	44.9	Very low	162 Å²	162	72.3 Å²	72.3	64%	0.635	40%	0.402	S	S	*	.	H	α-helix	trans	-62.4	-42.4	175.6	-175.2	-99.1	0	0	0	112.2	L17 V18 Y24 S25	L17-Y21 WeakPolarHBondContact O-CB 3.39Å; L17-Y21 PolarHBondContact O-N 3.02Å; L17-Y21 VanDerWaalsContact O-N 3.12Å; V18-Y21 PolarHBondContact O-N 3.21Å; Y21-Y24 PolarHBondContact O-N 3.31Å; Y21-S25 VanDerWaalsContact O-CB 3.29Å; Y21-S25 WeakPolarHBondContact O-CB 3.42Å; Y21-S25 PolarHBondContact O-N 3.45Å; Y21-S25 PolarHBondContact O-OG 2.86Å
22	I	47.2	Very low	44.7	Very low	85 Å²	85	75.8 Å²	75.8	44%	0.436	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-43.3	175.5	-70.3	168.7	0	0	0	110.6	V18 S19 S20 S25 L26	V18-I22 HydrophobicContact CG1-CD1 3.68Å; V18-I22 HydrophobicContact CG1-CG1 4.33Å; V18-I22 WeakPolarHBondContact O-CB 3.37Å; V18-I22 WeakPolarHBondContact O-CG1 3.35Å; V18-I22 PolarHBondContact O-N 2.97Å; S19-I22 PolarHBondContact O-N 2.86Å; S20-I22 PolarHBondContact O-N 3.04Å; I22-S25 PolarHBondContact O-N 3.34Å; I22-L26 HydrophobicContact CG2-CD1 3.59Å; I22-L26 HydrophobicContact CG2-CG 4.14Å; I22-L26 WeakPolarHBondContact O-CB 3.34Å; I22-L26 VanDerWaalsContact O-CG 3.23Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 2.82Å
23	L	46.7	Very low	44.3	Very low	74 Å²	74	77.7 Å²	77.7	39%	0.387	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-45.7	178.4	-162.5	76.3	0	0	0	111.5	S19 S20 S25 L26 I27	S19-L23 WeakPolarHBondContact O-CB 3.23Å; S19-L23 PolarHBondContact O-N 2.69Å; S20-L23 PolarHBondContact O-N 2.94Å; L23-S25 PolarHBondContact O-N 3.29Å; L23-L26 PolarHBondContact O-N 3Å; L23-I27 HydrophobicContact CG-CD1 4.03Å; L23-I27 WeakPolarHBondContact O-CB 3.31Å; L23-I27 WeakPolarHBondContact O-CD1 3.27Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 3.43Å
24	Y	48.8	Very low	43.9	Very low	74 Å²	74	74.8 Å²	74.8	29%	0.29	41%	0.406	S	S	.	.	H	α-helix	trans	-63.6	-40	175.8	-76.9	-62.6	0	0	0	112.4	S20 Y21 I27 D28 F224	S20-Y24 WeakPolarHBondContact O-CD2 3.26Å; S20-Y24 PolarHBondContact O-N 3.32Å; Y21-Y24 PolarHBondContact O-N 3.31Å; Y24-I27 PolarHBondContact O-N 3.32Å; Y24-D28 PolarHBondContact O-N 2.76Å; Y24-F224 HydrophobicContact CE1-CD2 4.49Å
25	S	46.6	Very low	43.6	Very low	49 Å²	49	77.4 Å²	77.4	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-69.3	-38.9	179.2	-54.1	0	0	0	0	112.1	Y21 I22 L23 S29	Y21-S25 VanDerWaalsContact O-CB 3.29Å; Y21-S25 WeakPolarHBondContact O-CB 3.42Å; Y21-S25 PolarHBondContact O-N 3.45Å; Y21-S25 PolarHBondContact O-OG 2.86Å; I22-S25 PolarHBondContact O-N 3.34Å; L23-S25 PolarHBondContact O-N 3.29Å; S25-S29 WeakPolarHBondContact O-CB 3.29Å; S25-S29 PolarHBondContact O-N 2.81Å; S25-S29 PolarHBondContact O-OG 2.96Å
26	L	43.7	Very low	42.8	Very low	99 Å²	99	74.1 Å²	74.1	52%	0.518	41%	0.408	S	S	.	.	H	α-helix	trans	-65.8	-42.1	175.4	-74.5	170.1	0	0	0	110.7	I22 L23 S29 T30	I22-L26 HydrophobicContact CG2-CD1 3.59Å; I22-L26 HydrophobicContact CG2-CG 4.14Å; I22-L26 WeakPolarHBondContact O-CB 3.34Å; I22-L26 VanDerWaalsContact O-CG 3.23Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 2.82Å; L23-L26 PolarHBondContact O-N 3Å; L26-S29 PolarHBondContact O-N 2.9Å; L26-S29 PolarHBondContact O-OG 2.89Å; L26-T30 WeakPolarHBondContact O-CG2 3.41Å; L26-T30 PolarHBondContact O-N 3.3Å; L26-T30 PolarHBondContact O-OG1 3.23Å
27	I	49.4	Very low	42	Very low	13 Å²	13	73.8 Å²	73.8	7%	0.067	42%	0.422	C	S	.	.	H	α-helix	trans	-66.3	-45.9	179.4	-68.2	168.9	0	0	0	111.7	L23 Y24 S29 T30 A31 Y223 I227 F668	L23-I27 HydrophobicContact CG-CD1 4.03Å; L23-I27 WeakPolarHBondContact O-CB 3.31Å; L23-I27 WeakPolarHBondContact O-CD1 3.27Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 3.43Å; Y24-I27 PolarHBondContact O-N 3.32Å; I27-S29 VanDerWaalsContact C-N 3.28Å; I27-S29 PolarHBondContact O-N 3.23Å; I27-T30 WeakPolarHBondContact CA-OG1 3.23Å; I27-T30 PolarHBondContact O-N 3.42Å; I27-T30 VanDerWaalsContact O-N 3.16Å; I27-T30 PolarHBondContact O-OG1 2.73Å; I27-A31 PolarHBondContact O-N 3.41Å; I27-Y223 HydrophobicContact CG2-CD2 4.45Å; I27-Y223 HydrophobicContact CG2-CE2 4.25Å; I27-I227 HydrophobicContact CD1-CD1 3.73Å; I27-F668 HydrophobicContact CG2-CE2 4.18Å
28	D	43.3	Very low	41.4	Very low	51 Å²	51	73.8 Å²	73.8	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-38.3	175.3	-94.6	-13.5	0	0	0	110.8	Y24 T30 A31 E32 R486	Y24-D28 PolarHBondContact O-N 2.76Å; D28-T30 PolarHBondContact O-N 3.38Å; D28-A31 PolarHBondContact O-N 2.83Å; D28-E32 PolarHBondContact O-N 3.13Å; D28-E32 VanDerWaalsContact O-N 3.11Å; D28-R486 IonicContact OD2-NH2 2.66Å
29	S	40.1	Very low	40.6	Very low	45 Å²	45	73.7 Å²	73.7	32%	0.315	44%	0.435	S	S	.	.	H	α-helix	trans	-68.9	-31.1	175.8	80	0	0	0	0	113.8	S25 L26 I27 N33	S25-S29 WeakPolarHBondContact O-CB 3.29Å; S25-S29 PolarHBondContact O-N 2.81Å; S25-S29 PolarHBondContact O-OG 2.96Å; L26-S29 PolarHBondContact O-N 2.9Å; L26-S29 PolarHBondContact O-OG 2.89Å; I27-S29 VanDerWaalsContact C-N 3.28Å; I27-S29 PolarHBondContact O-N 3.23Å; S29-N33 PolarHBondContact O-N 3.39Å; S29-N33 PolarHBondContact O-ND2 3.45Å
30	T	38.6	Very low	39.9	Very low	69 Å²	69	79.1 Å²	79.1	42%	0.423	45%	0.454	S	S	.	.	H	α-helix	trans	-75.1	-31.2	175.9	50.7	0	0	0	0	112.3	L26 I27 D28 A34	L26-T30 WeakPolarHBondContact O-CG2 3.41Å; L26-T30 PolarHBondContact O-N 3.3Å; L26-T30 PolarHBondContact O-OG1 3.23Å; I27-T30 WeakPolarHBondContact CA-OG1 3.23Å; I27-T30 PolarHBondContact O-N 3.42Å; I27-T30 VanDerWaalsContact O-N 3.16Å; I27-T30 PolarHBondContact O-OG1 2.73Å; D28-T30 PolarHBondContact O-N 3.38Å; T30-A34 PolarHBondContact O-N 3.46Å; T30-A34 VanDerWaalsContact O-N 3.16Å
31	A	36.7	Very low	39.2	Very low	29 Å²	29	85.1 Å²	85.1	24%	0.24	48%	0.483	C	S	.	.	H	α-helix	trans	-68.4	-41.9	173.1	0	0	0	0	0	111.4	I27 D28 N33 A34 D35	I27-A31 PolarHBondContact O-N 3.41Å; D28-A31 PolarHBondContact O-N 2.83Å; A31-N33 VanDerWaalsContact C-N 3.33Å; A31-N33 PolarHBondContact O-N 2.8Å; A31-A34 PolarHBondContact O-N 2.8Å; A31-D35 PolarHBondContact O-N 3.27Å
32	E	38.6	Very low	38.3	Very low	133 Å²	133	85.8 Å²	85.8	62%	0.621	49%	0.492	S	S	*	.	H	α-helix	trans	-65.6	-33	175.9	-75.3	-177.7	167	0	0	112.9	D28 A36	D28-E32 PolarHBondContact O-N 3.13Å; D28-E32 VanDerWaalsContact O-N 3.11Å; E32-A36 PolarHBondContact O-N 2.73Å
33	N	34.8	Very low	37.5	Very low	110 Å²	110	87.6 Å²	87.6	59%	0.588	51%	0.507	S	S	*	.	H	α-helix	trans	-75.7	-23.1	175.3	-74.5	-48	0	0	0	113.4	S29 A31 A37	S29-N33 PolarHBondContact O-N 3.39Å; S29-N33 PolarHBondContact O-ND2 3.45Å; A31-N33 VanDerWaalsContact C-N 3.33Å; A31-N33 PolarHBondContact O-N 2.8Å; N33-A37 WeakPolarHBondContact O-CB 3.13Å; N33-A37 PolarHBondContact O-N 2.82Å
34	A	35	Very low	36.6	Very low	41 Å²	41	89.3 Å²	89.3	34%	0.339	52%	0.52	S	S	.	.	H	α-helix	trans	-74.7	-31.8	174.6	0	0	0	0	0	112.3	T30 A31	T30-A34 PolarHBondContact O-N 3.46Å; T30-A34 VanDerWaalsContact O-N 3.16Å; A31-A34 PolarHBondContact O-N 2.8Å
35	D	34.8	Very low	35.7	Very low	123 Å²	123	92.1 Å²	92.1	66%	0.658	55%	0.548	S	S	*	.	H	α-helix	trans	-78.3	-23.8	175	-81	-26.3	0	0	0	113.2	A31	A31-D35 PolarHBondContact O-N 3.27Å
36	A	32.7	Very low	34.7	Very low	59 Å²	59	99 Å²	99	49%	0.488	57%	0.572	S	S	.	*	H	α-helix	trans	-82.3	-23.3	173.9	0	0	0	0	0	113.6	E32 A38	E32-A36 PolarHBondContact O-N 2.73Å; A36-A38 VanDerWaalsContact C-N 3.32Å; A36-A38 PolarHBondContact O-N 3.5Å
37	A	33.1	Very low	33.8	Very low	83 Å²	83	100.7 Å²	100.7	69%	0.686	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-1.4	-176.4	0	0	0	0	0	114.9	N33	N33-A37 WeakPolarHBondContact O-CB 3.13Å; N33-A37 PolarHBondContact O-N 2.82Å
38	A	35	Very low	32.7	Very low	67 Å²	67	108.3 Å²	108.3	55%	0.554	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	8.1	177.9	0	0	0	0	0	113.9	A36	A36-A38 VanDerWaalsContact C-N 3.32Å; A36-A38 PolarHBondContact O-N 3.5Å
39	S	31.2	Very low	31.9	Very low	88 Å²	88	114 Å²	114	62%	0.615	64%	0.644	S	S	*	*	S	Bend	trans	-146.7	77.8	176.9	63.5	0	0	0	0	111.8
40	E	30.6	Very low	31.5	Very low	170 Å²	170	119.3 Å²	119.3	79%	0.794	66%	0.664	S	S	*	*			trans	-159.8	89.2	162.1	-115.8	167	-156.1	0	0	111.7
41	D	30.7	Very low	30.9	Very low	163 Å²	163	122.6 Å²	122.6	87%	0.872	68%	0.679	S	S	*	*	S	Bend	trans	-74.3	118.6	148	-99.8	-31.7	0	0	0	107.4
42	Q	26.4	Very low	30.5	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	71%	0.71	S	S	*	*	S	Bend	trans	61	103.4	166.4	-54.2	-168.7	-7.1	0	0	116.7
43	V	31.5	Very low	29.9	Very low	124 Å²	124	127.3 Å²	127.3	75%	0.752	71%	0.711	S	S	*	*				175.8	142.3	121.2	156.7	0	0	0	0	109.3
44	T	27.6	Very low	29.5	Very low	109 Å²	109	130 Å²	130	67%	0.669	72%	0.721	S	S	*	*			trans	-44.1	139.9	-177.5	47.5	0	0	0	0	116.6	F46	T44-F46 PolarHBondContact O-N 3.08Å
45	P	30	Very low	29.2	Very low	133 Å²	133	138.5 Å²	138.5	86%	0.864	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-78.2	117.1	176.8	29.8	-29.8	0	0	0	111.4
46	F	25.6	Very low	28.7	Very low	195 Å²	195	137.9 Å²	137.9	86%	0.855	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-77.6	126.1	160	-104.8	-92.5	0	0	0	108.9	T44	T44-F46 PolarHBondContact O-N 3.08Å
47	T	24.8	Very low	28.7	Very low	133 Å²	133	141.9 Å²	141.9	82%	0.816	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.3	127.6	169.8	41.9	0	0	0	0	110.6
48	F	26.1	Very low	28.5	Very low	173 Å²	173	141.5 Å²	141.5	76%	0.759	78%	0.778	S	S	*	*			trans	-115.8	101	168.4	-137	-87.9	0	0	0	109.6	H50	F48-H50 AromaticContact CD1-CD2 3.54Å; F48-H50 AromaticContact CD1-NE2 3.98Å; F48-H50 AromaticContact CE1-CD2 3.6Å; F48-H50 AromaticContact CE1-NE2 3.52Å
49	E	27	Very low	28.2	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.804	79%	0.788	S	S	*	*			trans	-72.4	117.5	162.3	-75.1	-178.7	154.6	0	0	108.5
50	H	31.1	Very low	28	Very low	155 Å²	155	149.4 Å²	149.4	72%	0.718	80%	0.804	S	S	*	*			trans	-103.7	99	164.5	-114.6	-64.4	0	0	0	110.1	F48 L52	F48-H50 AromaticContact CD1-CD2 3.54Å; F48-H50 AromaticContact CD1-NE2 3.98Å; F48-H50 AromaticContact CE1-CD2 3.6Å; F48-H50 AromaticContact CE1-NE2 3.52Å; H50-L52 PolarHBondContact O-N 3.5Å
51	N	25.9	Very low	28.1	Very low	139 Å²	139	148.3 Å²	148.3	74%	0.743	80%	0.803	S	S	*	*			trans	-62.3	122.5	158.5	-83.4	-52.7	0	0	0	109.7
52	L	28.6	Very low	27.9	Very low	170 Å²	170	151.2 Å²	151.2	89%	0.89	80%	0.802	S	S	*	*			trans	-121.8	102.1	157.1	-93.9	162.6	0	0	0	108.2	H50	H50-L52 PolarHBondContact O-N 3.5Å
53	S	25.3	Very low	28.2	Very low	91 Å²	91	152 Å²	152	64%	0.636	80%	0.803	S	S	*	*			trans	-100.8	157.4	169.6	61.6	0	0	0	0	109.7
54	M	26.4	Very low	28.1	Very low	165 Å²	165	151.8 Å²	151.8	81%	0.813	80%	0.798	S	S	*	*			trans	81.6	98.4	170.1	-65.4	-172.9	-85.6	0	0	117.8
55	F	28.1	Very low	28.2	Very low	220 Å²	220	153.7 Å²	153.7	97%	0.965	81%	0.809	S	S	*	*				-145.1	116.4	105.4	-97	-79.4	0	0	0	109.4
56	S	25.4	Very low	28.2	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	80%	0.798	S	S	*	*			trans	-90.1	123.1	175.4	167.3	0	0	0	0	109.2
57	V	32.1	Very low	28.2	Very low	144 Å²	144	151 Å²	151	87%	0.873	80%	0.795	S	S	*	*			trans	-129.6	111.3	150.8	-178	0	0	0	0	106.5
58	G	28.9	Very low	28.4	Very low	74 Å²	74	155.3 Å²	155.3	76%	0.763	80%	0.796	S	S	*	*			trans	-69.5	137.1	-173.7	0	0	0	0	0	113.4
59	G	29.9	Very low	28.4	Very low	74 Å²	74	151.4 Å²	151.4	76%	0.763	79%	0.789	S	S	*	*			trans	-167.1	94.9	167.7	0	0	0	0	0	108.2	N61	G59-N61 PolarHBondContact O-N 2.85Å
60	R	27	Very low	28.6	Very low	248 Å²	248	147.4 Å²	147.4	94%	0.936	79%	0.786	S	S	*	*			trans	-53.9	120.4	178.6	-70.3	175.7	-178.9	-174.6	-0.4	110.1
61	N	30.7	Very low	28.5	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	78%	0.781	S	S	*	*			trans	-153.7	119.9	142.3	-91.4	-27.5	0	0	0	108.4	G59 F63	G59-N61 PolarHBondContact O-N 2.85Å; N61-F63 PolarHBondContact O-N 2.89Å
62	R	26.9	Very low	28.6	Very low	224 Å²	224	143.1 Å²	143.1	85%	0.845	79%	0.787	S	S	*	*			trans	-58.5	121.1	169.5	-72.5	177.6	-175.4	-177.2	-0.7	108.2
63	F	32.6	Very low	28.7	Very low	193 Å²	193	142.5 Å²	142.5	85%	0.846	78%	0.783	S	S	*	*			trans	-113.6	95.7	150	-85.3	-83.5	0	0	0	106	N61 T65	N61-F63 PolarHBondContact O-N 2.89Å; F63-T65 PolarHBondContact O-N 3.02Å
64	D	30.3	Very low	29.1	Very low	120 Å²	120	144.7 Å²	144.7	64%	0.642	79%	0.788	S	S	*	*			trans	-52.3	132.1	159.8	-68.1	-48.1	0	0	0	107.4	V66	D64-V66 PolarHBondContact O-N 3.41Å
65	T	29.3	Very low	29.2	Very low	148 Å²	148	142.3 Å²	142.3	91%	0.908	79%	0.786	S	S	*	*			trans	-61.1	90.5	169	-5.6	0	0	0	0	107.2	F63 Q67	F63-T65 PolarHBondContact O-N 3.02Å; T65-Q67 VanDerWaalsContact C-N 3.35Å; T65-Q67 PolarHBondContact O-N 3.49Å
66	V	30.8	Very low	29.3	Very low	105 Å²	105	133.4 Å²	133.4	64%	0.636	75%	0.753	S	S	*	*			trans	-69.7	97.9	177.9	178.1	0	0	0	0	108.2	D64 W68	D64-V66 PolarHBondContact O-N 3.41Å; V66-W68 PolarHBondContact O-N 3.17Å; V66-W68 VanDerWaalsContact O-N 3.07Å
67	Q	25.3	Very low	29.9	Very low	168 Å²	168	133.7 Å²	133.7	79%	0.785	74%	0.742	S	S	*	*			trans	-34.5	99	150.3	-168.3	174.6	3.7	0	0	111.4	T65 C69	T65-Q67 VanDerWaalsContact C-N 3.35Å; T65-Q67 PolarHBondContact O-N 3.49Å; Q67-C69 VanDerWaalsContact C-N 3.35Å; Q67-C69 PolarHBondContact O-N 2.83Å
68	W	28	Very low	30.4	Very low	222 Å²	222	132.3 Å²	132.3	84%	0.841	73%	0.73	S	S	*	*			trans	-91.8	78.1	161.2	-83.7	84.7	0	0	0	108.9	V66	V66-W68 PolarHBondContact O-N 3.17Å; V66-W68 VanDerWaalsContact O-N 3.07Å
69	C	27	Very low	31.4	Very low	92 Å²	92	133.1 Å²	133.1	62%	0.622	71%	0.712	S	S	*	*			trans	-129.9	81.3	155.1	-83.3	0	0	0	0	105.7	Q67	Q67-C69 VanDerWaalsContact C-N 3.35Å; Q67-C69 PolarHBondContact O-N 2.83Å
70	A	30.3	Very low	32.5	Very low	88 Å²	88	130.5 Å²	130.5	73%	0.727	68%	0.68	S	S	*	*			trans	-147.4	98	174.5	0	0	0	0	0	109.1
71	G	30.2	Very low	33.5	Very low	59 Å²	59	120.7 Å²	120.7	61%	0.608	65%	0.646	S	S	*	*	S	Bend	trans	140.5	70.5	173.9	0	0	0	0	0	113.3	I73	G71-I73 PolarHBondContact O-N 3.35Å
72	T	26.7	Very low	34.3	Very low	144 Å²	144	120.5 Å²	120.5	88%	0.883	65%	0.645	S	S	*	*	S	Bend	trans	31.8	64.7	155.5	52.2	0	0	0	0	117.2
73	I	32.3	Very low	35.4	Very low	157 Å²	157	111.5 Å²	111.5	81%	0.805	62%	0.615	S	S	*	*			trans	-144.6	134.2	147.6	-79.4	114.8	0	0	0	107.2	G71 C75	G71-I73 PolarHBondContact O-N 3.35Å; I73-C75 PolarHBondContact O-N 3.25Å
74	N	32.1	Very low	36.2	Very low	137 Å²	137	103.6 Å²	103.6	73%	0.733	58%	0.584	S	S	*	*			trans	-53.5	123.1	-175.9	-147.6	-9.7	0	0	0	111.9	A76	N74-A76 HydrophobicContact CB-CB 4.21Å; N74-A76 PolarHBondContact O-N 3.07Å
75	C	29.6	Very low	37	Very low	116 Å²	116	99.2 Å²	99.2	78%	0.784	56%	0.562	S	S	*	*	S	Bend	trans	-71.3	62.5	163.9	-77.4	0	0	0	0	110.4	I73	I73-C75 PolarHBondContact O-N 3.25Å
76	A	30.1	Very low	37.9	Very low	33 Å²	33	102 Å²	102	27%	0.273	56%	0.556	S	S	.	*			trans	-129.8	61	-178.3	0	0	0	0	0	110.4	N74 F79	N74-A76 HydrophobicContact CB-CB 4.21Å; N74-A76 PolarHBondContact O-N 3.07Å; A76-F79 HydrophobicContact CB-CE2 4.4Å
77	Q	37.1	Very low	38.8	Very low	115 Å²	115	104.3 Å²	104.3	54%	0.537	56%	0.564	S	S	.	*			trans	-142	62.9	177.6	-103.6	179.5	-23.7	0	0	112.8	K270	Q77-K270 PolarHBondContact O-NZ 3.45Å
78	L	43.9	Very low	41	Very low	116 Å²	116	100 Å²	100	61%	0.607	55%	0.547	S	S	*	.			trans	-147.3	82.3	162.6	-75.4	170	0	0	0	107.4	D81 K270	L78-D81 VanDerWaalsContact CD2-OD2 3.31Å; L78-D81 WeakPolarHBondContact CD2-OD2 3.35Å; L78-K270 VanDerWaalsContact CD2-NZ 3.27Å
79	F	48.6	Very low	43.8	Very low	90 Å²	90	96.9 Å²	96.9	40%	0.395	54%	0.539	S	S	.	.			trans	-135.2	-29	-178.8	-75.2	-80.5	0	0	0	115.1	A76 D81 D82 V83 R440	A76-F79 HydrophobicContact CB-CE2 4.4Å; F79-D81 PolarHBondContact O-N 2.81Å; F79-D82 PolarHBondContact O-N 3.12Å; F79-D82 VanDerWaalsContact O-N 3.13Å; F79-V83 WeakPolarHBondContact O-CG2 3.29Å; F79-R440 VanDerWaalsContact CB-CZ 3.49Å; F79-R440 VanDerWaalsContact CD2-NH1 3.26Å
80	F	53.1	Low	46.9	Very low	19 Å²	19	93.7 Å²	93.7	8%	0.083	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-58.5	-28.6	168.4	-78	-62.7	0	0	0	111.9	D82 V83 F294 F309 E436 T439 F446	F80-D82 PolarHBondContact O-N 3.19Å; F80-D82 VanDerWaalsContact O-N 3.09Å; F80-V83 PolarHBondContact O-N 3.13Å; F80-F294 HydrophobicContact CB-CE1 3.78Å; F80-F294 HydrophobicContact CB-CZ 3.85Å; F80-F294 HydrophobicContact CD1-CZ 4.21Å; F80-F294 HydrophobicContact CG-CZ 4.46Å; F80-F294 WeakPolarHBondContact O-CZ 3.43Å; F80-F309 HydrophobicContact CD1-CD2 4.39Å; F80-F309 HydrophobicContact CE1-CE2 4.45Å; F80-E436 HydrophobicContact CD2-CB 4.42Å; F80-E436 HydrophobicContact CD2-CG 3.99Å; F80-E436 HydrophobicContact CE1-CB 4.38Å; F80-E436 HydrophobicContact CE1-CG 4.41Å; F80-E436 HydrophobicContact CE2-CB 3.46Å; F80-E436 VanDerWaalsContact CE2-CB 3.46Å; F80-E436 HydrophobicContact CE2-CG 3.5Å; F80-E436 HydrophobicContact CZ-CB 3.44Å; F80-E436 VanDerWaalsContact CZ-CB 3.44Å; F80-E436 HydrophobicContact CZ-CG 3.75Å; F80-T439 HydrophobicContact CD1-CG2 4.44Å; F80-T439 HydrophobicContact CE1-CG2 4.09Å; F80-F446 HydrophobicContact CE1-CE2 4.36Å
81	D	48.8	Very low	50	Low	42 Å²	42	91.9 Å²	91.9	23%	0.225	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-63.9	-11.4	177	-58.1	-15.6	0	0	0	114.7	L78 F79 L304	L78-D81 VanDerWaalsContact CD2-OD2 3.31Å; L78-D81 WeakPolarHBondContact CD2-OD2 3.35Å; F79-D81 PolarHBondContact O-N 2.81Å; D81-L304 HydrophobicContact CB-CB 4.44Å; D81-L304 WeakPolarHBondContact O-CD1 3.25Å
82	D	46.8	Very low	53.2	Low	142 Å²	142	89.3 Å²	89.3	76%	0.759	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-104.3	-3.2	179.7	-160.4	31.1	0	0	0	113.4	F79 F80	F79-D82 PolarHBondContact O-N 3.12Å; F79-D82 VanDerWaalsContact O-N 3.13Å; F80-D82 PolarHBondContact O-N 3.19Å; F80-D82 VanDerWaalsContact O-N 3.09Å
83	V	51.2	Low	56.5	Low	36 Å²	36	83.9 Å²	83.9	22%	0.218	43%	0.43	C	S	.	.			trans	-105.8	1.3	-166.5	-169.4	0	0	0	0	114.1	F79 F80 S85 T439 I444	F79-V83 WeakPolarHBondContact O-CG2 3.29Å; F80-V83 PolarHBondContact O-N 3.13Å; V83-S85 PolarHBondContact O-N 3.06Å; V83-T439 HydrophobicContact CG1-CG2 4.09Å; V83-I444 WeakPolarHBondContact CG1-O 3.32Å
84	S	49.3	Very low	59.5	Low	27 Å²	27	80.1 Å²	80.1	19%	0.189	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115.5	176.7	156	0	0	0	0	112.2	T448	S84-T448 WeakPolarHBondContact OG-CG2 3.37Å
85	S	45.8	Very low	62.5	Low	27 Å²	27	73.9 Å²	73.9	19%	0.189	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.5	169.2	71.7	0	0	0	0	112	V83 L87 D445	V83-S85 PolarHBondContact O-N 3.06Å; S85-L87 PolarHBondContact O-N 3.34Å; S85-D445 WeakPolarHBondContact CA-OD1 3.12Å; S85-D445 WeakPolarHBondContact CB-OD1 3.37Å; S85-D445 WeakPolarHBondContact CB-OD2 3.49Å; S85-D445 PolarHBondContact N-OD1 2.68Å; S85-D445 PolarHBondContact OG-OD1 3.4Å; S85-D445 PolarHBondContact OG-OD2 3.31Å
86	R	49.1	Very low	65.7	Low	207 Å²	207	68.7 Å²	68.7	78%	0.781	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	2.2	175.6	-60.7	-178.9	-173.9	-171.2	0.4	113.7
87	L	50.4	Low	68.8	Low	153 Å²	153	71.2 Å²	71.2	80%	0.801	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	-21.3	-163.4	-70.8	167.6	0	0	0	115.3	S85	S85-L87 PolarHBondContact O-N 3.34Å
88	N	70.1	Confident	71.5	Confident	79 Å²	79	72.8 Å²	72.8	42%	0.422	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	84.5	-179.2	-73.1	-36.2	0	0	0	111.9	P447 T448	N88-P447 HydrophobicContact CB-CB 4.17Å; N88-P447 WeakPolarHBondContact O-CA 3.5Å; N88-P447 WeakPolarHBondContact O-CB 3.46Å; N88-T448 PolarHBondContact O-N 3.42Å; N88-T448 VanDerWaalsContact O-N 3.16Å
89	K	86.8	Confident	74	Confident	155 Å²	155	68.4 Å²	68.4	67%	0.674	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.9	174.1	-59.3	-175.8	179.8	-178.7	0	109.9
90	I	93.6	Very high	76.2	Confident	25 Å²	25	71.4 Å²	71.4	13%	0.128	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.2	173.3	-56.9	176	0	0	0	107.6	M92 L95 L285 P447 T448 L449 S450	I90-M92 HydrophobicContact CG2-SD 4.49Å; I90-L95 HydrophobicContact CG2-CD2 4.28Å; I90-L285 HydrophobicContact CD1-CD2 3.7Å; I90-P447 HydrophobicContact CD1-CB 4.13Å; I90-P447 HydrophobicContact CD1-CG 4.29Å; I90-P447 HydrophobicContact CG1-CB 4.44Å; I90-T448 PolarHBondContact N-O 2.76Å; I90-L449 HydrophobicContact CB-CB 4.36Å; I90-L449 HydrophobicContact CB-CD1 4.4Å; I90-L449 HydrophobicContact CB-CG 4.25Å; I90-L449 HydrophobicContact CG2-CD1 4.09Å; I90-L449 HydrophobicContact CG2-CG 4.2Å; I90-L449 CarbonylContact O-C 3.58Å; I90-L449 VanDerWaalsContact O-CA 3.27Å; I90-L449 WeakPolarHBondContact O-CA 3.34Å; I90-S450 PolarHBondContact O-N 3.43Å
91	Q	94.6	Very high	78.2	Confident	51 Å²	51	71.4 Å²	71.4	24%	0.238	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126	171.3	-160.2	-69.6	-21.1	0	0	107.3	L93 D94 L95 S450	Q91-L93 PolarHBondContact O-N 3.5Å; Q91-L93 VanDerWaalsContact OE1-CA 3.22Å; Q91-D94 HydrophobicContact CB-CB 4.27Å; Q91-D94 PolarHBondContact O-N 3.34Å; Q91-L95 PolarHBondContact O-N 2.69Å; Q91-S450 WeakPolarHBondContact CA-O 3.33Å
92	M	97.2	Very high	80.2	Confident	4 Å²	4	74 Å²	74	2%	0.02	36%	0.358	C	S	.	.	H	α-helix	trans	-65.5	-36.6	-169	-70.8	-55.6	-61.6	0	0	114	I90 L95 Y96 I281 L449 S450 F453	I90-M92 HydrophobicContact CG2-SD 4.49Å; M92-L95 HydrophobicContact CE-CD2 4.27Å; M92-L95 PolarHBondContact O-N 2.79Å; M92-L95 HydrophobicContact SD-CD2 4.19Å; M92-Y96 HydrophobicContact CE-CE2 4.17Å; M92-Y96 VanDerWaalsContact O-CD2 3.24Å; M92-Y96 WeakPolarHBondContact O-CD2 3.31Å; M92-Y96 PolarHBondContact O-N 2.97Å; M92-I281 HydrophobicContact CE-CD1 3.74Å; M92-I281 HydrophobicContact CE-CG1 4.33Å; M92-I281 HydrophobicContact CE-CG2 3.88Å; M92-L449 HydrophobicContact CG-CD2 3.92Å; M92-L449 HydrophobicContact CG-CG 4.44Å; M92-L449 HydrophobicContact SD-CD1 3.9Å; M92-L449 HydrophobicContact SD-CD2 4.04Å; M92-L449 HydrophobicContact SD-CG 4.11Å; M92-S450 WeakPolarHBondContact CG-O 3.38Å; M92-S450 PolarHBondContact N-O 2.98Å; M92-F453 HydrophobicContact CE-CD1 3.83Å; M92-F453 HydrophobicContact CE-CE1 3.84Å; M92-F453 HydrophobicContact SD-CD1 4.47Å; M92-F453 HydrophobicContact SD-CE1 3.95Å
93	L	95.6	Very high	82.4	Confident	31 Å²	31	70 Å²	70	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-45.3	174.3	-174.2	65	0	0	0	111.2	Q91 L95 Y96 E97 K672 K674 F676	Q91-L93 PolarHBondContact O-N 3.5Å; Q91-L93 VanDerWaalsContact OE1-CA 3.22Å; L93-L95 VanDerWaalsContact C-N 3.27Å; L93-L95 PolarHBondContact O-N 2.81Å; L93-Y96 WeakPolarHBondContact O-CB 3.48Å; L93-Y96 PolarHBondContact O-N 3.11Å; L93-Y96 VanDerWaalsContact O-N 3.15Å; L93-E97 WeakPolarHBondContact O-CG 3.34Å; L93-E97 PolarHBondContact O-N 2.83Å; L93-K672 HydrophobicContact CD2-CB 4.22Å; L93-K672 HydrophobicContact CD2-CD 3.97Å; L93-K672 HydrophobicContact CD2-CG 3.9Å; L93-K674 HydrophobicContact CD1-CB 4.18Å; L93-F676 HydrophobicContact CD1-CE2 4.29Å; L93-F676 HydrophobicContact CD1-CZ 4.11Å
94	D	95.2	Very high	84.5	Confident	78 Å²	78	71.1 Å²	71.1	42%	0.417	35%	0.345	S	S	.	.	H	α-helix	trans	-61.2	-38	174.9	-68.1	-12.6	0	0	0	111.5	Q91 E97 K98	Q91-D94 HydrophobicContact CB-CB 4.27Å; Q91-D94 PolarHBondContact O-N 3.34Å; D94-E97 PolarHBondContact O-N 3.34Å; D94-K98 WeakPolarHBondContact O-CG 3.4Å; D94-K98 PolarHBondContact O-N 3.3Å
95	L	96	Very high	86.8	Confident	5 Å²	5	75 Å²	75	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-65.9	-44.7	174.8	-178.8	59	0	0	0	110.8	I90 Q91 M92 L93 E97 K98 L99 I281 Y284	I90-L95 HydrophobicContact CG2-CD2 4.28Å; Q91-L95 PolarHBondContact O-N 2.69Å; M92-L95 HydrophobicContact CE-CD2 4.27Å; M92-L95 PolarHBondContact O-N 2.79Å; M92-L95 HydrophobicContact SD-CD2 4.19Å; L93-L95 VanDerWaalsContact C-N 3.27Å; L93-L95 PolarHBondContact O-N 2.81Å; L95-E97 VanDerWaalsContact C-N 3.26Å; L95-E97 PolarHBondContact O-N 3.01Å; L95-K98 PolarHBondContact O-N 2.67Å; L95-K98 VanDerWaalsContact O-N 3.08Å; L95-L99 HydrophobicContact CD1-CD1 3.95Å; L95-L99 HydrophobicContact CD1-CD2 4.04Å; L95-L99 HydrophobicContact CD1-CG 3.75Å; L95-L99 HydrophobicContact CD2-CD1 4.3Å; L95-L99 HydrophobicContact CG-CD1 3.75Å; L95-L99 HydrophobicContact CG-CG 4.02Å; L95-L99 WeakPolarHBondContact O-CG 3.47Å; L95-L99 PolarHBondContact O-N 2.85Å; L95-I281 HydrophobicContact CD2-CG2 4.36Å; L95-Y284 HydrophobicContact CD1-CD1 3.5Å; L95-Y284 HydrophobicContact CD1-CD2 4.05Å; L95-Y284 HydrophobicContact CD1-CE1 3.4Å; L95-Y284 HydrophobicContact CD1-CE2 3.94Å; L95-Y284 HydrophobicContact CD1-CG 3.83Å; L95-Y284 HydrophobicContact CD2-CD1 3.81Å; L95-Y284 HydrophobicContact CD2-CE1 4.1Å; L95-Y284 HydrophobicContact CG-CD1 4.31Å; L95-Y284 HydrophobicContact CG-CE1 4.41Å
96	Y	96.1	Very high	89.2	Confident	8 Å²	8	74.5 Å²	74.5	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-57.8	-37.7	173.2	-94.6	-122.5	0	0	0	111.7	M92 L93 K98 F101 I281 F454 F676 K678	M92-Y96 HydrophobicContact CE-CE2 4.17Å; M92-Y96 VanDerWaalsContact O-CD2 3.24Å; M92-Y96 WeakPolarHBondContact O-CD2 3.31Å; M92-Y96 PolarHBondContact O-N 2.97Å; L93-Y96 WeakPolarHBondContact O-CB 3.48Å; L93-Y96 PolarHBondContact O-N 3.11Å; L93-Y96 VanDerWaalsContact O-N 3.15Å; Y96-K98 VanDerWaalsContact C-N 3.35Å; Y96-K98 PolarHBondContact O-N 3.09Å; Y96-F101 HydrophobicContact CD1-CE2 4.33Å; Y96-F101 AromaticContact CD1-CZ 3.74Å; Y96-F101 HydrophobicContact CD1-CZ 3.74Å; Y96-F101 HydrophobicContact CD2-CZ 4.05Å; Y96-F101 HydrophobicContact CE1-CE1 4.41Å; Y96-F101 AromaticContact CE1-CZ 3.92Å; Y96-F101 HydrophobicContact CE1-CZ 3.92Å; Y96-F101 HydrophobicContact CE2-CZ 4.24Å; Y96-F101 HydrophobicContact CG-CE2 4.4Å; Y96-F101 AromaticContact CG-CZ 3.8Å; Y96-F101 HydrophobicContact CG-CZ 3.8Å; Y96-I281 HydrophobicContact CE2-CD1 3.5Å; Y96-I281 VanDerWaalsContact CE2-CD1 3.5Å; Y96-I281 HydrophobicContact CE2-CG1 4.26Å; Y96-F454 PolarHBondContact OH-O 3.33Å; Y96-F676 HydrophobicContact CD1-CD2 4.34Å; Y96-F676 HydrophobicContact CD1-CE2 4.01Å; Y96-F676 HydrophobicContact CG-CE2 4.46Å; Y96-K678 VanDerWaalsContact O-CE 3.29Å; Y96-K678 WeakPolarHBondContact O-CE 3.45Å; Y96-K678 PolarHBondContact O-NZ 2.85Å
97	E	94.9	Very high	91.5	Very high	86 Å²	86	66.3 Å²	66.3	40%	0.402	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-39.8	174.7	-63.6	-158.6	150.9	0	0	112.4	L93 D94 L95 K674 F676 K678	L93-E97 WeakPolarHBondContact O-CG 3.34Å; L93-E97 PolarHBondContact O-N 2.83Å; D94-E97 PolarHBondContact O-N 3.34Å; L95-E97 VanDerWaalsContact C-N 3.26Å; L95-E97 PolarHBondContact O-N 3.01Å; E97-K674 WeakPolarHBondContact OE1-CD 3.46Å; E97-K674 IonicContact OE1-NZ 2.78Å; E97-K674 PolarHBondContact OE1-NZ 3.22Å; E97-F676 HydrophobicContact CB-CE1 4.44Å; E97-F676 HydrophobicContact CG-CE1 3.93Å; E97-F676 HydrophobicContact CG-CZ 4.09Å; E97-K678 PolarHBondContact O-NZ 3.22Å
98	K	95	Very high	93.7	Very high	148 Å²	148	65.2 Å²	65.2	64%	0.643	33%	0.332	S	S	*	.	H	α-helix	trans	-78.1	-37.1	-176.8	-69.6	168.3	-174.3	168.8	0	114.1	D94 L95 Y96	D94-K98 WeakPolarHBondContact O-CG 3.4Å; D94-K98 PolarHBondContact O-N 3.3Å; L95-K98 PolarHBondContact O-N 2.67Å; L95-K98 VanDerWaalsContact O-N 3.08Å; Y96-K98 VanDerWaalsContact C-N 3.35Å; Y96-K98 PolarHBondContact O-N 3.09Å
99	L	95.8	Very high	95	Very high	23 Å²	23	62.3 Å²	62.3	12%	0.12	32%	0.315	C	S	.	.			trans	-71.1	139.1	-173.8	-71.1	178.9	0	0	0	112.6	L95 F101 I281 Y284 K678	L95-L99 HydrophobicContact CD1-CD1 3.95Å; L95-L99 HydrophobicContact CD1-CD2 4.04Å; L95-L99 HydrophobicContact CD1-CG 3.75Å; L95-L99 HydrophobicContact CD2-CD1 4.3Å; L95-L99 HydrophobicContact CG-CD1 3.75Å; L95-L99 HydrophobicContact CG-CG 4.02Å; L95-L99 WeakPolarHBondContact O-CG 3.47Å; L95-L99 PolarHBondContact O-N 2.85Å; L99-F101 HydrophobicContact CB-CD2 3.93Å; L99-F101 HydrophobicContact CB-CE2 3.69Å; L99-F101 HydrophobicContact CB-CZ 4.1Å; L99-F101 HydrophobicContact CD1-CE1 4.48Å; L99-F101 HydrophobicContact CD1-CZ 4.25Å; L99-F101 WeakPolarHBondContact O-CD2 3.4Å; L99-I281 HydrophobicContact CD1-CG1 4.2Å; L99-Y284 HydrophobicContact CD2-CD2 3.77Å; L99-Y284 HydrophobicContact CD2-CG 3.98Å; L99-K678 VanDerWaalsContact O-CE 3.27Å; L99-K678 WeakPolarHBondContact O-CE 3.22Å; L99-K678 PolarHBondContact O-NZ 3.34Å
100	H	94.6	Very high	95.6	Very high	153 Å²	153	60.5 Å²	60.5	71%	0.708	31%	0.307	S	S	*	.			trans	-81.1	-18.7	175.6	-67.5	-68.2	0	0	0	113.7	D102	H100-D102 PolarHBondContact O-N 3.45Å
101	F	95	Very high	95.7	Very high	20 Å²	20	60.4 Å²	60.4	9%	0.088	31%	0.306	C	S	.	.			trans	55.9	31.8	-174.5	-63.2	-90.9	0	0	0	113.5	Y96 L99 H278 K678 L679	Y96-F101 HydrophobicContact CD1-CE2 4.33Å; Y96-F101 AromaticContact CD1-CZ 3.74Å; Y96-F101 HydrophobicContact CD1-CZ 3.74Å; Y96-F101 HydrophobicContact CD2-CZ 4.05Å; Y96-F101 HydrophobicContact CE1-CE1 4.41Å; Y96-F101 AromaticContact CE1-CZ 3.92Å; Y96-F101 HydrophobicContact CE1-CZ 3.92Å; Y96-F101 HydrophobicContact CE2-CZ 4.24Å; Y96-F101 HydrophobicContact CG-CE2 4.4Å; Y96-F101 AromaticContact CG-CZ 3.8Å; Y96-F101 HydrophobicContact CG-CZ 3.8Å; L99-F101 HydrophobicContact CB-CD2 3.93Å; L99-F101 HydrophobicContact CB-CE2 3.69Å; L99-F101 HydrophobicContact CB-CZ 4.1Å; L99-F101 HydrophobicContact CD1-CE1 4.48Å; L99-F101 HydrophobicContact CD1-CZ 4.25Å; L99-F101 WeakPolarHBondContact O-CD2 3.4Å; F101-H278 AromaticContact CD1-CE1 3.65Å; F101-H278 AromaticContact CD1-NE2 3.78Å; F101-K678 HydrophobicContact CD2-CD 4.48Å; F101-L679 HydrophobicContact CB-CD2 3.76Å; F101-L679 HydrophobicContact CD1-CD2 4.03Å; F101-L679 HydrophobicContact CD2-CD2 3.51Å; F101-L679 HydrophobicContact CE2-CD2 4.04Å; F101-L679 HydrophobicContact CG-CD2 3.5Å; F101-L679 VanDerWaalsContact CG-CD2 3.5Å
102	D	91.1	Very high	95.8	Very high	95 Å²	95	58.1 Å²	58.1	51%	0.508	30%	0.296	S	S	.	.			trans	-70	150.7	169.5	62.1	-32.3	0	0	0	111	H100 P104	H100-D102 PolarHBondContact O-N 3.45Å; D102-P104 WeakPolarHBondContact O-CD 3.21Å
103	N	93.6	Very high	95.9	Very high	59 Å²	59	61.9 Å²	61.9	32%	0.316	31%	0.31	S	S	.	.			trans	-121.9	59.9	177.4	-166.9	26.8	0	0	0	111.7	Y279 D460	N103-Y279 HydrophobicContact CB-CE2 3.93Å; N103-D460 PolarHBondContact ND2-OD1 3.39Å
104	P	95.2	Very high	96	Very high	60 Å²	60	65.4 Å²	65.4	39%	0.39	33%	0.329	S	S	.	.			trans	-68.8	144.5	175	31	-35.1	0	0	0	110.6	D102 G106	D102-P104 WeakPolarHBondContact O-CD 3.21Å; P104-G106 PolarHBondContact O-N 3.05Å; P104-G106 VanDerWaalsContact O-N 3.08Å
105	D	96.6	Very high	96.1	Very high	109 Å²	109	61.9 Å²	61.9	58%	0.583	31%	0.31	S	S	*	.			trans	-65.2	108.4	176.4	-172.6	-12.9	0	0	0	110.6	G107 K110	D105-G107 PolarHBondContact O-N 2.88Å; D105-G107 WeakPolarHBondContact OD1-CA 3.39Å; D105-G107 PolarHBondContact OD1-N 2.97Å; D105-K110 WeakPolarHBondContact OD1-CD 3.36Å; D105-K110 IonicContact OD1-NZ 2.72Å; D105-K110 PolarHBondContact OD1-NZ 2.94Å; D105-K110 IonicContact OD2-NZ 3.52Å; D105-K110 PolarHBondContact OD2-NZ 3.4Å
106	G	97.1	Very high	96.1	Very high	15 Å²	15	67.4 Å²	67.4	16%	0.155	34%	0.336	C	S	.	.			trans	-76.5	4	178.3	0	0	0	0	0	114.9	P104 W109 K110 G112	P104-G106 PolarHBondContact O-N 3.05Å; P104-G106 VanDerWaalsContact O-N 3.08Å; G106-W109 CarbonylContact C-O 3.15Å; G106-W109 WeakPolarHBondContact CA-O 3.37Å; G106-K110 PolarHBondContact N-O 3.2Å; G106-G112 WeakPolarHBondContact CA-O 3.24Å
107	G	97.2	Very high	96	Very high	36 Å²	36	69 Å²	69	37%	0.371	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-119.9	-179.2	0	0	0	0	0	112.1	D105 K110	D105-G107 PolarHBondContact O-N 2.88Å; D105-G107 WeakPolarHBondContact OD1-CA 3.39Å; D105-G107 PolarHBondContact OD1-N 2.97Å; G107-K110 WeakPolarHBondContact O-CE 3.33Å; G107-K110 PolarHBondContact O-NZ 3.38Å; G107-K110 VanDerWaalsContact O-NZ 3.08Å
108	K	96.4	Very high	95.9	Very high	130 Å²	130	68.2 Å²	68.2	57%	0.565	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-45.1	179.2	-65.3	-62.1	-169.3	166.1	0	111.5	K110 P326 D327	K108-K110 PolarHBondContact O-N 3.07Å; K108-P326 CarbonylContact C-O 3.59Å; K108-D327 HydrophobicContact CB-CB 4.04Å; K108-D327 WeakPolarHBondContact CD-OD2 3.28Å; K108-D327 WeakPolarHBondContact CG-OD2 3.44Å
109	W	98	Very high	95.6	Very high	18 Å²	18	65.5 Å²	65.5	7%	0.068	34%	0.338	C	S	.	.	S	Bend	trans	-84.9	90.7	163.9	-178.2	19.5	0	0	0	109	G106 Q111 G112 W113 V115 A286 F315 P326 L377	G106-W109 CarbonylContact C-O 3.15Å; G106-W109 WeakPolarHBondContact CA-O 3.37Å; W109-Q111 PolarHBondContact O-N 3.29Å; W109-G112 VanDerWaalsContact CD2-CA 3.48Å; W109-G112 PolarHBondContact O-N 3.45Å; W109-W113 HydrophobicContact CE3-CE3 4.49Å; W109-W113 HydrophobicContact CH2-CE3 4.18Å; W109-W113 AromaticContact CH2-CH2 3.91Å; W109-W113 HydrophobicContact CH2-CH2 3.91Å; W109-W113 AromaticContact CH2-CZ3 3.67Å; W109-W113 HydrophobicContact CH2-CZ3 3.67Å; W109-W113 HydrophobicContact CZ3-CD2 4.03Å; W109-W113 AromaticContact CZ3-CE3 3.77Å; W109-W113 HydrophobicContact CZ3-CE3 3.77Å; W109-W113 AromaticContact CZ3-CH2 3.79Å; W109-W113 HydrophobicContact CZ3-CH2 3.79Å; W109-W113 HydrophobicContact CZ3-CZ2 4.09Å; W109-W113 AromaticContact CZ3-CZ3 3.64Å; W109-W113 HydrophobicContact CZ3-CZ3 3.64Å; W109-V115 HydrophobicContact CE3-CG2 3.68Å; W109-V115 HydrophobicContact CZ3-CG2 3.76Å; W109-A286 HydrophobicContact CH2-CB 3.91Å; W109-F315 HydrophobicContact CD2-CD1 4.32Å; W109-F315 HydrophobicContact CD2-CE1 4.22Å; W109-F315 AromaticContact CE2-CD1 3.91Å; W109-F315 HydrophobicContact CZ2-CD1 4.29Å; W109-F315 HydrophobicContact CZ2-CE1 4.44Å; W109-F315 AromaticContact NE1-CD1 3.84Å; W109-P326 WeakPolarHBondContact CA-O 3.37Å; W109-P326 HydrophobicContact CB-CB 3.83Å; W109-P326 WeakPolarHBondContact CB-O 3.18Å; W109-P326 HydrophobicContact CD2-CB 4.48Å; W109-P326 HydrophobicContact CE3-CB 4.4Å; W109-P326 HydrophobicContact CG-CB 4.3Å; W109-P326 PolarHBondContact N-O 3.33Å; W109-L377 HydrophobicContact CH2-CD1 4.04Å; W109-L377 HydrophobicContact CH2-CD2 4.38Å; W109-L377 HydrophobicContact CZ3-CD1 4.13Å; W109-L377 HydrophobicContact CZ3-CD2 4.05Å
110	K	98	Very high	95	Very high	117 Å²	117	67.4 Å²	67.4	51%	0.509	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-35.8	-170.7	-73.6	-74.9	157.9	-152.5	0	114.6	D105 G106 G107 K108	D105-K110 WeakPolarHBondContact OD1-CD 3.36Å; D105-K110 IonicContact OD1-NZ 2.72Å; D105-K110 PolarHBondContact OD1-NZ 2.94Å; D105-K110 IonicContact OD2-NZ 3.52Å; D105-K110 PolarHBondContact OD2-NZ 3.4Å; G106-K110 PolarHBondContact N-O 3.2Å; G107-K110 WeakPolarHBondContact O-CE 3.33Å; G107-K110 PolarHBondContact O-NZ 3.38Å; G107-K110 VanDerWaalsContact O-NZ 3.08Å; K108-K110 PolarHBondContact O-N 3.07Å
111	Q	96.9	Very high	94.5	Very high	23 Å²	23	67 Å²	67	11%	0.107	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	11.3	-174.8	-65.1	170.5	-40	0	0	113.7	W109 Y279 K283 D458	W109-Q111 PolarHBondContact O-N 3.29Å; Q111-Y279 HydrophobicContact CB-CD2 4.28Å; Q111-Y279 HydrophobicContact CB-CG 4.5Å; Q111-Y279 VanDerWaalsContact CD-CB 3.41Å; Q111-Y279 HydrophobicContact CG-CD2 4.18Å; Q111-Y279 HydrophobicContact CG-CG 4.23Å; Q111-Y279 VanDerWaalsContact NE2-CG 3.34Å; Q111-K283 WeakPolarHBondContact O-CD 2.99Å; Q111-D458 PolarHBondContact NE2-O 2.94Å
112	G	97.4	Very high	93.9	Very high	3 Å²	3	67.1 Å²	67.1	3%	0.031	36%	0.357	C	S	.	.	S	Bend	trans	-125.8	-122.3	178.7	0	0	0	0	0	112.1	G106 W109	G106-G112 WeakPolarHBondContact CA-O 3.24Å; W109-G112 VanDerWaalsContact CD2-CA 3.48Å; W109-G112 PolarHBondContact O-N 3.45Å
113	W	97.7	Very high	93.3	Very high	83 Å²	83	63.2 Å²	63.2	31%	0.314	34%	0.339	S	S	.	.			trans	-152.7	173.2	178.1	63.7	95.3	0	0	0	109.6	W109 V115 K283 A286 L377	W109-W113 HydrophobicContact CE3-CE3 4.49Å; W109-W113 HydrophobicContact CH2-CE3 4.18Å; W109-W113 AromaticContact CH2-CH2 3.91Å; W109-W113 HydrophobicContact CH2-CH2 3.91Å; W109-W113 AromaticContact CH2-CZ3 3.67Å; W109-W113 HydrophobicContact CH2-CZ3 3.67Å; W109-W113 HydrophobicContact CZ3-CD2 4.03Å; W109-W113 AromaticContact CZ3-CE3 3.77Å; W109-W113 HydrophobicContact CZ3-CE3 3.77Å; W109-W113 AromaticContact CZ3-CH2 3.79Å; W109-W113 HydrophobicContact CZ3-CH2 3.79Å; W109-W113 HydrophobicContact CZ3-CZ2 4.09Å; W109-W113 AromaticContact CZ3-CZ3 3.64Å; W109-W113 HydrophobicContact CZ3-CZ3 3.64Å; W113-V115 PolarHBondContact O-N 3.05Å; W113-V115 VanDerWaalsContact O-N 3.09Å; W113-K283 HydrophobicContact CE3-CG 4.22Å; W113-K283 HydrophobicContact CZ3-CG 4.03Å; W113-A286 HydrophobicContact CH2-CB 3.63Å; W113-A286 HydrophobicContact CZ3-CB 4.15Å; W113-L377 HydrophobicContact CH2-CD2 4.06Å; W113-L377 HydrophobicContact CZ2-CD2 3.76Å
114	D	97.4	Very high	92.8	Very high	104 Å²	104	65.6 Å²	65.6	56%	0.556	35%	0.351	S	S	*	.			trans	-72.4	101.2	172.8	-176.3	31.9	0	0	0	110.7	Q116	D114-Q116 VanDerWaalsContact CG-NE2 3.32Å; D114-Q116 PolarHBondContact O-N 3.46Å; D114-Q116 PolarHBondContact OD1-NE2 3.36Å; D114-Q116 PolarHBondContact OD2-NE2 3.43Å
115	V	97.6	Very high	92.1	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.024	37%	0.37	C	S	.	.			trans	-75.3	122.5	-175.8	-173.8	0	0	0	0	109.9	W109 W113 P326 K373 Q376 L377	W109-V115 HydrophobicContact CE3-CG2 3.68Å; W109-V115 HydrophobicContact CZ3-CG2 3.76Å; W113-V115 PolarHBondContact O-N 3.05Å; W113-V115 VanDerWaalsContact O-N 3.09Å; V115-P326 HydrophobicContact CB-CG 4.45Å; V115-P326 HydrophobicContact CG2-CB 4.38Å; V115-P326 HydrophobicContact CG2-CG 4.43Å; V115-K373 HydrophobicContact CB-CB 4.2Å; V115-K373 HydrophobicContact CB-CG 4.47Å; V115-K373 HydrophobicContact CG1-CB 4.1Å; V115-K373 VanDerWaalsContact CG1-O 3.31Å; V115-K373 WeakPolarHBondContact CG1-O 3.43Å; V115-K373 WeakPolarHBondContact O-CD 3.14Å; V115-K373 WeakPolarHBondContact O-CE 3.14Å; V115-K373 WeakPolarHBondContact O-CG 2.97Å; V115-Q376 HydrophobicContact CG1-CB 3.85Å; V115-Q376 HydrophobicContact CG1-CG 4.2Å; V115-L377 HydrophobicContact CG1-CD2 4.18Å; V115-L377 HydrophobicContact CG2-CD2 4Å
116	Q	95.9	Very high	91.7	Very high	121 Å²	121	65.5 Å²	65.5	57%	0.565	35%	0.351	S	S	*	.			trans	-116.5	148.7	179.2	-63	-63.9	-25.3	0	0	110.3	D114	D114-Q116 VanDerWaalsContact CG-NE2 3.32Å; D114-Q116 PolarHBondContact O-N 3.46Å; D114-Q116 PolarHBondContact OD1-NE2 3.36Å; D114-Q116 PolarHBondContact OD2-NE2 3.43Å
117	Y	94.6	Very high	91.4	Very high	41 Å²	41	67.4 Å²	67.4	16%	0.161	36%	0.361	C	S	.	.			trans	-130.5	155.4	172	61.5	-92.3	0	0	0	109.8	P119 S122 D369 R372 K373	Y117-P119 HydrophobicContact CE2-CG 4.42Å; Y117-P119 VanDerWaalsContact O-CD 3.25Å; Y117-P119 WeakPolarHBondContact O-CD 3.22Å; Y117-S122 VanDerWaalsContact CD2-OG 3.31Å; Y117-S122 WeakPolarHBondContact CD2-OG 3.3Å; Y117-D369 VanDerWaalsContact CE1-OD1 3.27Å; Y117-D369 WeakPolarHBondContact CE1-OD1 3.28Å; Y117-D369 PolarHBondContact OH-OD1 3.36Å; Y117-R372 HydrophobicContact CD1-CB 3.75Å; Y117-R372 HydrophobicContact CD2-CB 4.31Å; Y117-R372 HydrophobicContact CE1-CB 3.56Å; Y117-R372 HydrophobicContact CE2-CB 4.14Å; Y117-R372 HydrophobicContact CG-CB 4.13Å; Y117-K373 HydrophobicContact CD1-CG 3.83Å; Y117-K373 HydrophobicContact CE1-CG 3.89Å
118	D	93.2	Very high	91.3	Very high	71 Å²	71	70.6 Å²	70.6	38%	0.38	37%	0.365	S	S	.	.			trans	-82	111.1	175.5	177.9	-6.4	0	0	0	109.9	A120 K121 S122	D118-A120 PolarHBondContact O-N 3.04Å; D118-A120 WeakPolarHBondContact OD1-CB 3.4Å; D118-A120 PolarHBondContact OD1-N 3.22Å; D118-K121 HydrophobicContact CB-CB 4.17Å; D118-K121 HydrophobicContact CB-CD 4.18Å; D118-K121 HydrophobicContact CB-CG 4.29Å; D118-K121 PolarHBondContact O-N 3.44Å; D118-K121 WeakPolarHBondContact OD2-CD 3.14Å; D118-K121 VanDerWaalsContact OD2-CE 3.3Å; D118-K121 WeakPolarHBondContact OD2-CE 3.32Å; D118-K121 WeakPolarHBondContact OD2-CG 3.02Å; D118-K121 IonicContact OD2-NZ 3.58Å; D118-S122 PolarHBondContact O-N 3.3Å; D118-S122 PolarHBondContact O-OG 3.12Å
119	P	87.8	Confident	91.4	Very high	90 Å²	90	65 Å²	65	58%	0.584	34%	0.341	S	S	*	.	H	α-helix	trans	-60.5	-29.4	-178.4	-22.9	35.4	0	0	0	113.2	Y117 K121 S122 G123	Y117-P119 HydrophobicContact CE2-CG 4.42Å; Y117-P119 VanDerWaalsContact O-CD 3.25Å; Y117-P119 WeakPolarHBondContact O-CD 3.22Å; P119-K121 VanDerWaalsContact C-N 3.3Å; P119-K121 PolarHBondContact O-N 3Å; P119-S122 PolarHBondContact O-N 3.15Å; P119-G123 PolarHBondContact O-N 3.36Å; P119-G123 VanDerWaalsContact O-N 3.11Å
120	A	84	Confident	91.4	Very high	63 Å²	63	66.7 Å²	66.7	52%	0.521	35%	0.348	S	S	.	.	H	α-helix	trans	-69.1	-30.2	178.7	0	0	0	0	0	112.1	D118	D118-A120 PolarHBondContact O-N 3.04Å; D118-A120 WeakPolarHBondContact OD1-CB 3.4Å; D118-A120 PolarHBondContact OD1-N 3.22Å
121	K	84.8	Confident	91.4	Very high	145 Å²	145	61.1 Å²	61.1	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-91	-18.1	175.4	-67.2	178.1	-172.8	172.9	0	113.8	D118 P119 G126	D118-K121 HydrophobicContact CB-CB 4.17Å; D118-K121 HydrophobicContact CB-CD 4.18Å; D118-K121 HydrophobicContact CB-CG 4.29Å; D118-K121 PolarHBondContact O-N 3.44Å; D118-K121 WeakPolarHBondContact OD2-CD 3.14Å; D118-K121 VanDerWaalsContact OD2-CE 3.3Å; D118-K121 WeakPolarHBondContact OD2-CE 3.32Å; D118-K121 WeakPolarHBondContact OD2-CG 3.02Å; D118-K121 IonicContact OD2-NZ 3.58Å; P119-K121 VanDerWaalsContact C-N 3.3Å; P119-K121 PolarHBondContact O-N 3Å; K121-G126 VanDerWaalsContact O-CA 3.23Å; K121-G126 WeakPolarHBondContact O-CA 3.33Å
122	S	82.5	Confident	91.5	Very high	23 Å²	23	60.5 Å²	60.5	16%	0.161	32%	0.321	C	S	.	.	H	α-helix	trans	-92.2	-6.9	176.4	-62.5	0	0	0	0	113.3	Y117 D118 P119 R372	Y117-S122 VanDerWaalsContact CD2-OG 3.31Å; Y117-S122 WeakPolarHBondContact CD2-OG 3.3Å; D118-S122 PolarHBondContact O-N 3.3Å; D118-S122 PolarHBondContact O-OG 3.12Å; P119-S122 PolarHBondContact O-N 3.15Å; S122-R372 PolarHBondContact O-NH2 2.85Å; S122-R372 VanDerWaalsContact O-NH2 3.12Å
123	G	78	Confident	91.6	Very high	12 Å²	12	60.4 Å²	60.4	12%	0.124	32%	0.32	C	S	.	.	S	Bend	trans	-91.4	-160.3	174.3	0	0	0	0	0	113.5	P119 N125 G126 N420	P119-G123 PolarHBondContact O-N 3.36Å; P119-G123 VanDerWaalsContact O-N 3.11Å; G123-N125 PolarHBondContact O-N 3.47Å; G123-G126 PolarHBondContact O-N 3.43Å; G123-N420 WeakPolarHBondContact O-CB 3.17Å; G123-N420 PolarHBondContact O-ND2 2.76Å
124	I	81.9	Confident	91.7	Very high	110 Å²	110	56.4 Å²	56.4	56%	0.564	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.4	-174.9	-161.4	163.8	0	0	0	115.4	G126	I124-G126 VanDerWaalsContact C-N 3.32Å
125	N	82.3	Confident	91.7	Very high	147 Å²	147	51.7 Å²	51.7	79%	0.786	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.4	179.3	-61.4	-36.6	0	0	0	113.4	G123	G123-N125 PolarHBondContact O-N 3.47Å
126	G	86.4	Confident	91.8	Very high	19 Å²	19	51.6 Å²	51.6	20%	0.196	28%	0.279	C	S	.	.	S	Bend	trans	-101.9	179.4	178.9	0	0	0	0	0	114.3	K121 G123 I124 N420	K121-G126 VanDerWaalsContact O-CA 3.23Å; K121-G126 WeakPolarHBondContact O-CA 3.33Å; G123-G126 PolarHBondContact O-N 3.43Å; I124-G126 VanDerWaalsContact C-N 3.32Å; G126-N420 PolarHBondContact O-ND2 2.77Å
127	P	91.5	Very high	91.9	Very high	55 Å²	55	46.1 Å²	46.1	36%	0.357	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-69.2	135.4	169.9	5.4	10.3	0	0	0	109.3	L129 N381	P127-L129 PolarHBondContact O-N 3.02Å; P127-N381 HydrophobicContact CB-CB 4.39Å; P127-N381 WeakPolarHBondContact CB-ND2 3.39Å; P127-N381 WeakPolarHBondContact CG-ND2 3.48Å; P127-N381 PolarHBondContact O-ND2 3.38Å
128	K	95.5	Very high	92.1	Very high	104 Å²	104	44.2 Å²	44.2	45%	0.452	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-58.3	129.8	178.4	-177.4	179.3	-65.2	-173.7	0	110.7	K130 N420 Q422	K128-K130 PolarHBondContact O-N 3.23Å; K128-N420 WeakPolarHBondContact CA-O 3.04Å; K128-N420 WeakPolarHBondContact CB-OD1 3.36Å; K128-N420 WeakPolarHBondContact CG-O 3.28Å; K128-Q422 HydrophobicContact CD-CB 4.03Å
129	L	97.9	Very high	92.4	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.5	173.6	178.1	63.9	0	0	0	109.7	P127 V131 R372 A375 L383 N420 V421 Q422	P127-L129 PolarHBondContact O-N 3.02Å; L129-V131 HydrophobicContact CD1-CG2 4.36Å; L129-V131 HydrophobicContact CD2-CG2 3.93Å; L129-V131 HydrophobicContact CG-CG2 3.76Å; L129-R372 HydrophobicContact CD2-CG 4.02Å; L129-A375 HydrophobicContact CD1-CB 3.68Å; L129-A375 HydrophobicContact CD2-CB 4.49Å; L129-L383 HydrophobicContact CD1-CB 4.29Å; L129-N420 PolarHBondContact N-O 2.64Å; L129-N420 VanDerWaalsContact N-O 3.07Å; L129-V421 HydrophobicContact CB-CG2 4.2Å; L129-V421 HydrophobicContact CD2-CG2 4.34Å; L129-V421 HydrophobicContact CG-CG2 4.32Å; L129-V421 CarbonylContact O-C 3.59Å; L129-V421 WeakPolarHBondContact O-CA 3.4Å; L129-V421 WeakPolarHBondContact O-CG2 3.19Å; L129-Q422 PolarHBondContact O-N 3.02Å
130	K	98.5	Very high	92.9	Very high	52 Å²	52	36.6 Å²	36.6	23%	0.226	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120	172.6	-63.7	176.9	-175.8	170.8	0	108.6	K128 F132 N381 V382 L383 Q422	K128-K130 PolarHBondContact O-N 3.23Å; K130-F132 HydrophobicContact CB-CE2 4.24Å; K130-N381 PolarHBondContact N-O 3.14Å; K130-V382 HydrophobicContact CB-CG2 4.27Å; K130-V382 HydrophobicContact CD-CG2 4.21Å; K130-V382 CarbonylContact O-C 3.57Å; K130-V382 WeakPolarHBondContact O-CA 3.42Å; K130-L383 PolarHBondContact O-N 3.12Å; K130-Q422 CarbonylContact C-O 3.53Å; K130-Q422 WeakPolarHBondContact CA-O 3.47Å
131	V	98.8	Very high	93.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.3	-179.6	-175.3	0	0	0	0	109.4	L129 V133 Y371 L383 V385 V421 Q422 V423 Q424	L129-V131 HydrophobicContact CD1-CG2 4.36Å; L129-V131 HydrophobicContact CD2-CG2 3.93Å; L129-V131 HydrophobicContact CG-CG2 3.76Å; V131-V133 HydrophobicContact CG1-CG2 4.21Å; V131-Y371 HydrophobicContact CG1-CD1 4.49Å; V131-Y371 HydrophobicContact CG1-CD2 4.01Å; V131-Y371 HydrophobicContact CG1-CE2 4.02Å; V131-Y371 HydrophobicContact CG1-CG 4.25Å; V131-Y371 HydrophobicContact CG2-CD2 4.18Å; V131-Y371 HydrophobicContact CG2-CG 4.41Å; V131-L383 HydrophobicContact CG1-CD2 4.21Å; V131-L383 HydrophobicContact CG2-CB 4.28Å; V131-L383 HydrophobicContact CG2-CD2 4.23Å; V131-V385 HydrophobicContact CG1-CG2 3.77Å; V131-V421 HydrophobicContact CG2-CG2 4.3Å; V131-Q422 PolarHBondContact N-O 3.15Å; V131-V423 HydrophobicContact CB-CB 4.35Å; V131-V423 HydrophobicContact CB-CG1 4Å; V131-V423 HydrophobicContact CB-CG2 4.12Å; V131-V423 HydrophobicContact CG1-CG1 4.17Å; V131-V423 HydrophobicContact CG2-CG2 4.22Å; V131-V423 WeakPolarHBondContact O-CA 3.45Å; V131-Q424 PolarHBondContact O-N 3.28Å
132	F	98.9	Very high	94.2	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.044	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.8	174	-66.6	-88.8	0	0	0	108.9	K130 V134 V382 L383 V385 Q424 D430 Y431 A434	K130-F132 HydrophobicContact CB-CE2 4.24Å; F132-V134 HydrophobicContact CB-CG2 4.49Å; F132-V382 HydrophobicContact CD2-CG1 4.02Å; F132-V382 HydrophobicContact CE2-CG1 3.88Å; F132-L383 PolarHBondContact N-O 3.28Å; F132-V385 PolarHBondContact O-N 3.06Å; F132-Q424 HydrophobicContact CD1-CG 4.1Å; F132-Q424 HydrophobicContact CE1-CG 4.16Å; F132-D430 HydrophobicContact CD1-CB 3.74Å; F132-D430 HydrophobicContact CE1-CB 3.68Å; F132-Y431 HydrophobicContact CD2-CD2 4.46Å; F132-A434 HydrophobicContact CE2-CB 3.47Å; F132-A434 VanDerWaalsContact CE2-CB 3.47Å; F132-A434 HydrophobicContact CZ-CB 3.58Å
133	V	98.9	Very high	95	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.2	173.6	-178.3	0	0	0	0	108	V131 P135 Y371 V385 L387 F410 V423 Q424 F425 G426	V131-V133 HydrophobicContact CG1-CG2 4.21Å; V133-P135 VanDerWaalsContact O-CD 3.3Å; V133-P135 WeakPolarHBondContact O-CD 3.46Å; V133-Y371 WeakPolarHBondContact CG2-OH 3.48Å; V133-V385 CarbonylContact C-O 3.32Å; V133-V385 VanDerWaalsContact CA-O 3.28Å; V133-V385 WeakPolarHBondContact CA-O 3.47Å; V133-V385 HydrophobicContact CG2-CB 4.3Å; V133-L387 HydrophobicContact CG1-CB 3.69Å; V133-L387 HydrophobicContact CG1-CD2 3.88Å; V133-L387 HydrophobicContact CG1-CG 4.27Å; V133-F410 HydrophobicContact CB-CE2 4.43Å; V133-F410 HydrophobicContact CB-CZ 3.81Å; V133-F410 HydrophobicContact CG1-CZ 4.25Å; V133-F410 HydrophobicContact CG2-CE1 3.99Å; V133-F410 HydrophobicContact CG2-CE2 4.47Å; V133-F410 HydrophobicContact CG2-CZ 3.53Å; V133-V423 HydrophobicContact CG2-CG1 4.2Å; V133-Q424 PolarHBondContact N-O 2.86Å; V133-F425 HydrophobicContact CB-CD1 4.44Å; V133-F425 HydrophobicContact CG1-CD1 4.44Å; V133-F425 HydrophobicContact CG1-CE1 4.49Å; V133-F425 CarbonylContact O-C 3.57Å; V133-F425 VanDerWaalsContact O-CA 3.28Å; V133-F425 WeakPolarHBondContact O-CA 3.39Å; V133-G426 PolarHBondContact O-N 3.46Å
134	V	98.9	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	96.4	-168.3	-177.2	0	0	0	0	110.3	F132 H136 I175 L384 V385 L387	F132-V134 HydrophobicContact CB-CG2 4.49Å; V134-H136 PolarHBondContact O-N 3.34Å; V134-I175 HydrophobicContact CG1-CB 4.38Å; V134-I175 HydrophobicContact CG1-CD1 3.67Å; V134-I175 HydrophobicContact CG1-CG1 3.87Å; V134-I175 HydrophobicContact CG1-CG2 3.61Å; V134-L384 HydrophobicContact CB-CD1 4.26Å; V134-L384 HydrophobicContact CG2-CD1 3.43Å; V134-L384 VanDerWaalsContact CG2-CD1 3.43Å; V134-V385 PolarHBondContact N-O 3.42Å; V134-L387 PolarHBondContact O-N 2.7Å
135	P	98.9	Very high	96.7	Very high	5 Å²	5	30 Å²	30	3%	0.032	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	132.3	173.7	-26.9	38.2	0	0	0	112.3	V133 K173 F174 I175 L387 Y393 F425	V133-P135 VanDerWaalsContact O-CD 3.3Å; V133-P135 WeakPolarHBondContact O-CD 3.46Å; P135-K173 WeakPolarHBondContact CB-O 3.1Å; P135-K173 WeakPolarHBondContact CG-O 3.05Å; P135-F174 HydrophobicContact CB-CD2 3.76Å; P135-F174 HydrophobicContact CB-CE2 4.38Å; P135-F174 WeakPolarHBondContact O-CA 3.25Å; P135-F174 WeakPolarHBondContact O-CD2 3.22Å; P135-I175 PolarHBondContact O-N 3.24Å; P135-L387 WeakPolarHBondContact CA-O 3.21Å; P135-L387 HydrophobicContact CG-CD2 4.44Å; P135-Y393 HydrophobicContact CB-CE2 4.44Å; P135-F425 HydrophobicContact CG-CD1 3.86Å; P135-F425 HydrophobicContact CG-CE1 4.23Å
136	H	98.8	Very high	97.5	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-145.2	164.5	176	72.9	96.3	0	0	0	111	V134 I175 W249 L387 G388 Y393	V134-H136 PolarHBondContact O-N 3.34Å; H136-I175 HydrophobicContact CB-CD1 4.07Å; H136-I175 HydrophobicContact CB-CG1 3.6Å; H136-W249 HydrophobicContact CB-CZ2 4.49Å; H136-W249 AromaticContact CG-CZ2 3.97Å; H136-L387 PolarHBondContact N-O 3.41Å; H136-G388 PolarHBondContact CD2-N 2.86Å; H136-G388 VanDerWaalsContact NE2-CA 3.3Å; H136-G388 WeakPolarHBondContact NE2-CA 3.46Å; H136-G388 PolarHBondContact NE2-N 2.93Å; H136-G388 WeakPolarHBondContact O-CA 3.49Å; H136-Y393 WeakPolarHBondContact O-CD2 3.43Å; H136-Y393 VanDerWaalsContact O-CE2 3.23Å; H136-Y393 WeakPolarHBondContact O-CE2 3.46Å
137	S	98.7	Very high	98	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.035	12%	0.116	C	C	.	.			trans	-132.3	121.5	164.5	179.8	0	0	0	0	108.6	R392	S137-R392 WeakPolarHBondContact CB-O 3.48Å; S137-R392 PolarHBondContact OG-N 3.21Å; S137-R392 VanDerWaalsContact OG-N 3.12Å; S137-R392 PolarHBondContact OG-O 2.56Å
138	H	98.8	Very high	98.2	Very high	2 Å²	2	26 Å²	26	1%	0.009	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-75.8	121.8	171.3	-172.6	57.4	0	0	0	108.5	D140 Q215 I251 D252 Y318 D389 D390 F391 H518	H138-D140 IonicContact CD2-OD1 3.87Å; H138-D140 PolarHBondContact CD2-OD1 2.96Å; H138-D140 IonicContact CE1-OD1 2.65Å; H138-D140 IonicContact NE2-OD1 3.11Å; H138-D140 PolarHBondContact NE2-OD1 3.33Å; H138-Q215 PolarHBondContact CE1-NE2 3.27Å; H138-I251 HydrophobicContact CB-CD1 4.06Å; H138-D252 IonicContact CD2-OD2 2.66Å; H138-D252 IonicContact CE1-OD2 3.17Å; H138-D252 IonicContact NE2-OD2 2.79Å; H138-D252 PolarHBondContact NE2-OD2 3.39Å; H138-Y318 HydrophobicContact CB-CE2 4.25Å; H138-D389 PolarHBondContact N-O 2.93Å; H138-D390 IonicContact CD2-OD1 2.84Å; H138-D390 PolarHBondContact CD2-OD1 3.05Å; H138-D390 IonicContact CG-OD1 3.15Å; H138-F391 PolarHBondContact O-N 2.86Å; H138-H518 AromaticContact CE1-CE1 3.53Å; H138-H518 AromaticContact CE1-NE2 3.58Å; H138-H518 AromaticContact NE2-CE1 3.79Å; H138-H518 AromaticContact NE2-NE2 3.37Å; H138-H518 PolarHBondContact NE2-NE2 2.9Å
139	T	98.6	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.			trans	-126.4	91.7	-174.8	55	0	0	0	0	111.8	P141 V155 I158 Y176 E178 F181 F391	T139-P141 WeakPolarHBondContact O-CD 3.48Å; T139-V155 HydrophobicContact CG2-CG2 4.07Å; T139-I158 HydrophobicContact CG2-CD1 3.92Å; T139-Y176 HydrophobicContact CG2-CE2 4.26Å; T139-Y176 WeakPolarHBondContact OG1-CE2 3.05Å; T139-Y176 PolarHBondContact OG1-OH 3.37Å; T139-E178 PolarHBondContact OG1-OE2 3.25Å; T139-F181 WeakPolarHBondContact O-CE2 3.11Å; T139-F391 HydrophobicContact CG2-CD1 4.13Å; T139-F391 HydrophobicContact CG2-CE1 4.28Å
140	D	98.7	Very high	98.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.			trans	-61.4	118.9	180	-59.9	-47.9	0	0	0	112.1	H138 G142 W143 Y150 F181 F391 H517 H518	H138-D140 IonicContact CD2-OD1 3.87Å; H138-D140 PolarHBondContact CD2-OD1 2.96Å; H138-D140 IonicContact CE1-OD1 2.65Å; H138-D140 IonicContact NE2-OD1 3.11Å; H138-D140 PolarHBondContact NE2-OD1 3.33Å; D140-G142 PolarHBondContact O-N 3.41Å; D140-W143 HydrophobicContact CB-CB 3.92Å; D140-W143 VanDerWaalsContact OD2-CE3 3.28Å; D140-Y150 WeakPolarHBondContact O-CD2 3.42Å; D140-F181 WeakPolarHBondContact O-CE2 3.25Å; D140-F391 HydrophobicContact CB-CE2 4.23Å; D140-F391 HydrophobicContact CB-CZ 3.99Å; D140-H517 IonicContact OD1-CE1 3.23Å; D140-H517 IonicContact OD1-NE2 2.75Å; D140-H518 IonicContact OD1-CE1 3.75Å; D140-H518 IonicContact OD1-NE2 3.92Å; D140-H518 PolarHBondContact OD1-NE2 2.65Å
141	P	98.3	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-71	37.6	173.7	-22.4	38.8	0	0	0	114.2	T139 F147 E178 F181 V214 L514 H517 Y533	T139-P141 WeakPolarHBondContact O-CD 3.48Å; P141-F147 HydrophobicContact CB-CD2 3.87Å; P141-F147 HydrophobicContact CB-CE2 4.26Å; P141-E178 HydrophobicContact CG-CB 4.16Å; P141-E178 HydrophobicContact CG-CG 3.99Å; P141-F181 HydrophobicContact CB-CE2 4.16Å; P141-F181 HydrophobicContact CG-CD2 4.3Å; P141-F181 HydrophobicContact CG-CE2 4.04Å; P141-V214 HydrophobicContact CB-CG1 4.16Å; P141-V214 HydrophobicContact CG-CB 4.47Å; P141-V214 HydrophobicContact CG-CG1 3.97Å; P141-L514 HydrophobicContact CB-CD1 3.48Å; P141-L514 VanDerWaalsContact CB-CD1 3.48Å; P141-H517 VanDerWaalsContact CD-CD2 3.42Å; P141-H517 WeakPolarHBondContact CD-CD2 3.36Å; P141-H517 WeakPolarHBondContact CD-NE2 3.43Å; P141-Y533 PolarHBondContact O-OH 3.12Å
142	G	97.9	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	123.3	115.7	179	0	0	0	0	0	112.4	D140 K145 H517 D519 Y533	D140-G142 PolarHBondContact O-N 3.41Å; G142-K145 CarbonylContact C-O 3.6Å; G142-K145 VanDerWaalsContact CA-O 3.29Å; G142-K145 WeakPolarHBondContact CA-O 3.46Å; G142-H517 PolarHBondContact O-CE1 2.66Å; G142-H517 PolarHBondContact O-ND1 2.75Å; G142-D519 WeakPolarHBondContact O-CB 3.44Å; G142-Y533 VanDerWaalsContact C-OH 3.31Å; G142-Y533 VanDerWaalsContact CA-OH 3.26Å; G142-Y533 WeakPolarHBondContact CA-OH 3.31Å; G142-Y533 PolarHBondContact O-OH 3.36Å
143	W	98.6	Very high	98.2	Very high	86 Å²	86	28.7 Å²	28.7	33%	0.326	16%	0.155	S	C	.	.	S	Bend	trans	-152.7	-82.7	-178.2	170.9	44.6	0	0	0	111.7	D140 K145 Y150 D519 A525 K526	D140-W143 HydrophobicContact CB-CB 3.92Å; D140-W143 VanDerWaalsContact OD2-CE3 3.28Å; W143-K145 PolarHBondContact N-O 3Å; W143-Y150 HydrophobicContact CB-CE2 4.35Å; W143-D519 HydrophobicContact CB-CB 4.07Å; W143-D519 WeakPolarHBondContact CB-OD2 3.43Å; W143-D519 VanDerWaalsContact CD1-OD1 3.22Å; W143-D519 HydrophobicContact CG-CB 4.36Å; W143-A525 CarbonylContact O-C 3.59Å; W143-A525 VanDerWaalsContact O-CA 3.29Å; W143-A525 WeakPolarHBondContact O-CA 3.27Å; W143-A525 WeakPolarHBondContact O-CB 3.45Å; W143-K526 PolarHBondContact O-N 2.94Å
144	V	97.9	Very high	98.2	Very high	56 Å²	56	29.6 Å²	29.6	34%	0.339	16%	0.162	S	C	.	.	S	Bend	trans	-86.2	-28.5	172	169.7	0	0	0	0	110.9	Y150 K526 Y528	V144-Y150 WeakPolarHBondContact CB-OH 3.4Å; V144-Y150 PolarHBondContact N-OH 3.25Å; V144-Y150 VanDerWaalsContact N-OH 3.09Å; V144-K526 HydrophobicContact CG1-CD 4.15Å; V144-Y528 WeakPolarHBondContact O-CE1 3.24Å; V144-Y528 VanDerWaalsContact O-CZ 3.23Å; V144-Y528 PolarHBondContact O-OH 3.38Å
145	K	98.2	Very high	98.1	Very high	74 Å²	74	29.6 Å²	29.6	32%	0.322	16%	0.162	S	C	.	.	S	Bend	trans	-120	163.9	169.5	-57.7	176.9	-178	167.5	0	110.9	G142 W143 E149 Y150 S153 Y528 V529	G142-K145 CarbonylContact C-O 3.6Å; G142-K145 VanDerWaalsContact CA-O 3.29Å; G142-K145 WeakPolarHBondContact CA-O 3.46Å; W143-K145 PolarHBondContact N-O 3Å; K145-E149 HydrophobicContact CB-CB 3.92Å; K145-E149 HydrophobicContact CD-CB 4.36Å; K145-Y150 HydrophobicContact CB-CD1 4.03Å; K145-Y150 HydrophobicContact CB-CD2 3.75Å; K145-Y150 HydrophobicContact CB-CE1 3.93Å; K145-Y150 HydrophobicContact CB-CE2 3.63Å; K145-Y150 HydrophobicContact CB-CG 3.94Å; K145-Y150 HydrophobicContact CD-CD1 3.93Å; K145-Y150 HydrophobicContact CD-CE1 3.9Å; K145-Y150 HydrophobicContact CG-CD1 4.38Å; K145-Y150 HydrophobicContact CG-CE1 4.04Å; K145-Y150 VanDerWaalsContact N-CE2 3.32Å; K145-Y150 PolarHBondContact N-OH 3.46Å; K145-Y150 WeakPolarHBondContact O-CD2 3.44Å; K145-Y150 WeakPolarHBondContact O-CE2 3.31Å; K145-S153 PolarHBondContact NZ-OG 3.43Å; K145-Y528 VanDerWaalsContact CA-OH 3.31Å; K145-Y528 WeakPolarHBondContact CA-OH 3.48Å; K145-V529 WeakPolarHBondContact O-CG2 3.42Å
146	T	98.1	Very high	98.1	Very high	16 Å²	16	32.9 Å²	32.9	10%	0.098	18%	0.177	C	C	.	.			trans	-69	166.9	172.3	59.8	0	0	0	0	111.1	D148 E149 Y150 Y528 V529 D532	T146-D148 PolarHBondContact O-N 3.04Å; T146-E149 WeakPolarHBondContact CB-OE2 3.45Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.49Å; T146-E149 PolarHBondContact N-OE2 2.97Å; T146-E149 PolarHBondContact O-N 3.01Å; T146-E149 WeakPolarHBondContact OG1-CB 3.21Å; T146-E149 VanDerWaalsContact OG1-CD 3.23Å; T146-E149 WeakPolarHBondContact OG1-CG 3.08Å; T146-E149 PolarHBondContact OG1-N 3.12Å; T146-E149 PolarHBondContact OG1-OE2 2.95Å; T146-Y150 WeakPolarHBondContact O-CD2 3.35Å; T146-Y150 PolarHBondContact O-N 2.81Å; T146-Y528 HydrophobicContact CG2-CD2 4.02Å; T146-Y528 HydrophobicContact CG2-CE2 3.95Å; T146-V529 HydrophobicContact CG2-CG2 4.28Å; T146-D532 HydrophobicContact CG2-CB 3.63Å
147	F	97.6	Very high	98	Very high	25 Å²	25	33.9 Å²	33.9	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-52.8	-53.5	175.3	177.9	-91.4	0	0	0	111.5	P141 E149 Y150 Y151 F181 R184 L514	P141-F147 HydrophobicContact CB-CD2 3.87Å; P141-F147 HydrophobicContact CB-CE2 4.26Å; F147-E149 PolarHBondContact O-N 3.25Å; F147-Y150 PolarHBondContact O-N 3.32Å; F147-Y151 PolarHBondContact O-N 2.88Å; F147-F181 HydrophobicContact CD1-CE1 4.31Å; F147-F181 HydrophobicContact CD2-CD1 4.01Å; F147-F181 AromaticContact CD2-CE1 3.5Å; F147-F181 HydrophobicContact CD2-CE1 3.5Å; F147-F181 HydrophobicContact CD2-CE2 4.38Å; F147-F181 AromaticContact CD2-CZ 3.72Å; F147-F181 HydrophobicContact CD2-CZ 3.72Å; F147-F181 HydrophobicContact CE1-CD1 4.21Å; F147-F181 HydrophobicContact CE1-CE1 4.21Å; F147-F181 AromaticContact CE2-CD1 3.37Å; F147-F181 HydrophobicContact CE2-CD1 3.37Å; F147-F181 HydrophobicContact CE2-CD2 4.28Å; F147-F181 AromaticContact CE2-CE1 3.4Å; F147-F181 HydrophobicContact CE2-CE1 3.4Å; F147-F181 HydrophobicContact CE2-CE2 4.31Å; F147-F181 AromaticContact CE2-CG 3.83Å; F147-F181 HydrophobicContact CE2-CG 3.83Å; F147-F181 AromaticContact CE2-CZ 3.89Å; F147-F181 HydrophobicContact CE2-CZ 3.89Å; F147-F181 AromaticContact CG-CE1 3.97Å; F147-F181 HydrophobicContact CG-CE1 3.97Å; F147-F181 HydrophobicContact CG-CZ 4.39Å; F147-F181 AromaticContact CZ-CD1 3.5Å; F147-F181 HydrophobicContact CZ-CD1 3.5Å; F147-F181 VanDerWaalsContact CZ-CD1 3.5Å; F147-F181 AromaticContact CZ-CE1 3.78Å; F147-F181 HydrophobicContact CZ-CE1 3.78Å; F147-F181 HydrophobicContact CZ-CG 4.19Å; F147-F181 WeakPolarHBondContact O-CE1 3.17Å; F147-R184 HydrophobicContact CE1-CB 4.28Å; F147-R184 HydrophobicContact CE1-CG 4.27Å; F147-R184 HydrophobicContact CZ-CB 4.19Å; F147-L514 HydrophobicContact CD2-CD1 3.78Å; F147-L514 HydrophobicContact CE2-CD1 4.17Å
148	D	96.8	Very high	98	Very high	95 Å²	95	33.7 Å²	33.7	51%	0.508	19%	0.186	S	C	.	.	H	α-helix	trans	-68.4	-33.9	-176.2	-75.6	-30.7	0	0	0	113.1	T146 Y151 A152	T146-D148 PolarHBondContact O-N 3.04Å; D148-Y151 WeakPolarHBondContact O-CB 3.46Å; D148-Y151 PolarHBondContact O-N 3.36Å; D148-A152 PolarHBondContact O-N 2.92Å
149	E	98	Very high	98	Very high	86 Å²	86	33.6 Å²	33.6	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-68.7	-39.4	175.5	-74.1	169.8	140	0	0	112.3	K145 T146 F147 Y151 S153 Y528	K145-E149 HydrophobicContact CB-CB 3.92Å; K145-E149 HydrophobicContact CD-CB 4.36Å; T146-E149 WeakPolarHBondContact CB-OE2 3.45Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.49Å; T146-E149 PolarHBondContact N-OE2 2.97Å; T146-E149 PolarHBondContact O-N 3.01Å; T146-E149 WeakPolarHBondContact OG1-CB 3.21Å; T146-E149 VanDerWaalsContact OG1-CD 3.23Å; T146-E149 WeakPolarHBondContact OG1-CG 3.08Å; T146-E149 PolarHBondContact OG1-N 3.12Å; T146-E149 PolarHBondContact OG1-OE2 2.95Å; F147-E149 PolarHBondContact O-N 3.25Å; E149-Y151 VanDerWaalsContact C-N 3.35Å; E149-S153 WeakPolarHBondContact O-CB 3.47Å; E149-S153 PolarHBondContact O-N 2.79Å; E149-S153 PolarHBondContact O-OG 3.23Å; E149-Y528 WeakPolarHBondContact OE2-CE2 3.36Å
150	Y	98.5	Very high	97.9	Very high	14 Å²	14	37.2 Å²	37.2	6%	0.055	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-40.7	172.2	-82.6	-55.5	0	0	0	111.6	D140 W143 V144 K145 T146 F147 S153 S154 V155 F391	D140-Y150 WeakPolarHBondContact O-CD2 3.42Å; W143-Y150 HydrophobicContact CB-CE2 4.35Å; V144-Y150 WeakPolarHBondContact CB-OH 3.4Å; V144-Y150 PolarHBondContact N-OH 3.25Å; V144-Y150 VanDerWaalsContact N-OH 3.09Å; K145-Y150 HydrophobicContact CB-CD1 4.03Å; K145-Y150 HydrophobicContact CB-CD2 3.75Å; K145-Y150 HydrophobicContact CB-CE1 3.93Å; K145-Y150 HydrophobicContact CB-CE2 3.63Å; K145-Y150 HydrophobicContact CB-CG 3.94Å; K145-Y150 HydrophobicContact CD-CD1 3.93Å; K145-Y150 HydrophobicContact CD-CE1 3.9Å; K145-Y150 HydrophobicContact CG-CD1 4.38Å; K145-Y150 HydrophobicContact CG-CE1 4.04Å; K145-Y150 VanDerWaalsContact N-CE2 3.32Å; K145-Y150 PolarHBondContact N-OH 3.46Å; K145-Y150 WeakPolarHBondContact O-CD2 3.44Å; K145-Y150 WeakPolarHBondContact O-CE2 3.31Å; T146-Y150 WeakPolarHBondContact O-CD2 3.35Å; T146-Y150 PolarHBondContact O-N 2.81Å; F147-Y150 PolarHBondContact O-N 3.32Å; Y150-S153 PolarHBondContact O-N 2.83Å; Y150-S154 PolarHBondContact O-N 3.17Å; Y150-V155 PolarHBondContact O-N 3.02Å; Y150-F391 HydrophobicContact CD1-CD1 4.1Å; Y150-F391 AromaticContact CD1-CE1 3.42Å; Y150-F391 HydrophobicContact CD1-CE1 3.42Å; Y150-F391 VanDerWaalsContact CD1-CE1 3.42Å; Y150-F391 AromaticContact CD1-CE2 3.94Å; Y150-F391 HydrophobicContact CD1-CE2 3.94Å; Y150-F391 AromaticContact CD1-CZ 3.33Å; Y150-F391 HydrophobicContact CD1-CZ 3.33Å; Y150-F391 HydrophobicContact CD2-CE1 4.43Å; Y150-F391 AromaticContact CD2-CZ 3.95Å; Y150-F391 HydrophobicContact CD2-CZ 3.95Å; Y150-F391 HydrophobicContact CE1-CD2 4.17Å; Y150-F391 AromaticContact CE1-CE1 3.94Å; Y150-F391 HydrophobicContact CE1-CE1 3.94Å; Y150-F391 AromaticContact CE1-CE2 3.53Å; Y150-F391 HydrophobicContact CE1-CE2 3.53Å; Y150-F391 AromaticContact CE1-CZ 3.39Å; Y150-F391 HydrophobicContact CE1-CZ 3.39Å; Y150-F391 HydrophobicContact CE2-CE2 4.49Å; Y150-F391 AromaticContact CE2-CZ 3.99Å; Y150-F391 HydrophobicContact CE2-CZ 3.99Å; Y150-F391 AromaticContact CG-CE1 3.72Å; Y150-F391 HydrophobicContact CG-CE1 3.72Å; Y150-F391 AromaticContact CG-CZ 3.62Å; Y150-F391 HydrophobicContact CG-CZ 3.62Å; Y150-F391 AromaticContact CZ-CE2 3.84Å; Y150-F391 AromaticContact CZ-CZ 3.72Å
151	Y	98.3	Very high	97.9	Very high	8 Å²	8	37.9 Å²	37.9	3%	0.031	21%	0.21	C	C	.	.	I	π-helix	trans	-53.6	-58.2	174.4	-177.8	-97.3	0	0	0	111.3	F147 D148 E149 S153 V155 E156 F181 R184 W185	F147-Y151 PolarHBondContact O-N 2.88Å; D148-Y151 WeakPolarHBondContact O-CB 3.46Å; D148-Y151 PolarHBondContact O-N 3.36Å; E149-Y151 VanDerWaalsContact C-N 3.35Å; Y151-S153 PolarHBondContact O-N 3.19Å; Y151-V155 PolarHBondContact O-N 3.49Å; Y151-E156 HydrophobicContact CE1-CB 4.24Å; Y151-E156 HydrophobicContact CE2-CB 4.41Å; Y151-E156 WeakPolarHBondContact O-CB 3.31Å; Y151-E156 PolarHBondContact O-N 3.47Å; Y151-F181 HydrophobicContact CD2-CD1 4.14Å; Y151-R184 HydrophobicContact CD1-CG 4.28Å; Y151-R184 HydrophobicContact CD2-CB 4.37Å; Y151-R184 HydrophobicContact CD2-CG 3.67Å; Y151-R184 HydrophobicContact CE1-CG 4.25Å; Y151-R184 HydrophobicContact CE2-CB 4.26Å; Y151-R184 HydrophobicContact CE2-CG 3.61Å; Y151-R184 HydrophobicContact CG-CG 4.01Å; Y151-W185 HydrophobicContact CE2-CB 4.04Å; Y151-W185 WeakPolarHBondContact OH-CA 3.35Å
152	A	97.7	Very high	97.9	Very high	71 Å²	71	37.9 Å²	37.9	59%	0.587	21%	0.21	S	C	*	.	I	π-helix	trans	-68.7	-31.2	-176.3	0	0	0	0	0	113.9	D148	D148-A152 PolarHBondContact O-N 2.92Å
153	S	97.2	Very high	97.9	Very high	57 Å²	57	38.5 Å²	38.5	40%	0.399	21%	0.213	S	C	.	.	I	π-helix	trans	-93.6	-17.2	-174.8	66.8	0	0	0	0	114.9	K145 E149 Y150 Y151	K145-S153 PolarHBondContact NZ-OG 3.43Å; E149-S153 WeakPolarHBondContact O-CB 3.47Å; E149-S153 PolarHBondContact O-N 2.79Å; E149-S153 PolarHBondContact O-OG 3.23Å; Y150-S153 PolarHBondContact O-N 2.83Å; Y151-S153 PolarHBondContact O-N 3.19Å
154	S	97.2	Very high	97.9	Very high	19 Å²	19	39.4 Å²	39.4	13%	0.133	22%	0.221	C	C	.	.	I	π-helix	trans	-149.1	-54.6	-174.6	-58.9	0	0	0	0	113.3	Y150 E156 G157 I158	Y150-S154 PolarHBondContact O-N 3.17Å; S154-E156 PolarHBondContact O-N 3.44Å; S154-G157 PolarHBondContact O-N 3.18Å; S154-G157 VanDerWaalsContact O-N 3.1Å; S154-I158 WeakPolarHBondContact O-CG1 3.07Å; S154-I158 PolarHBondContact O-N 3.3Å
155	V	98.1	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-66.3	-38.7	-166.5	-175.7	0	0	0	0	113.1	T139 Y150 Y151 G157 I158 F159 F181 F391	T139-V155 HydrophobicContact CG2-CG2 4.07Å; Y150-V155 PolarHBondContact O-N 3.02Å; Y151-V155 PolarHBondContact O-N 3.49Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-G157 PolarHBondContact O-N 3Å; V155-I158 WeakPolarHBondContact O-CB 3.28Å; V155-I158 PolarHBondContact O-N 3.17Å; V155-F159 HydrophobicContact CG1-CD2 3.83Å; V155-F159 HydrophobicContact CG1-CE2 3.38Å; V155-F159 HydrophobicContact CG1-CZ 3.81Å; V155-F159 WeakPolarHBondContact O-CD2 3.39Å; V155-F159 PolarHBondContact O-N 2.86Å; V155-F181 HydrophobicContact CB-CD1 4.31Å; V155-F181 HydrophobicContact CB-CG 4.45Å; V155-F181 HydrophobicContact CG1-CB 3.86Å; V155-F181 HydrophobicContact CG1-CD1 4.09Å; V155-F181 HydrophobicContact CG1-CD2 4.27Å; V155-F181 HydrophobicContact CG1-CG 3.83Å; V155-F181 HydrophobicContact CG2-CD1 4.24Å; V155-F181 HydrophobicContact CG2-CD2 4.19Å; V155-F181 HydrophobicContact CG2-CE1 4.11Å; V155-F181 HydrophobicContact CG2-CE2 4.03Å; V155-F181 HydrophobicContact CG2-CG 4.29Å; V155-F181 HydrophobicContact CG2-CZ 4Å; V155-F391 HydrophobicContact CG2-CD1 4.09Å; V155-F391 HydrophobicContact CG2-CE1 3.85Å
156	E	97.5	Very high	97.9	Very high	74 Å²	74	33.4 Å²	33.4	35%	0.346	19%	0.191	S	C	.	.	H	α-helix	trans	-56.1	-48.4	172.5	-178.3	177.7	-129.8	0	0	111	Y151 S154 I158 F159 D160	Y151-E156 HydrophobicContact CE1-CB 4.24Å; Y151-E156 HydrophobicContact CE2-CB 4.41Å; Y151-E156 WeakPolarHBondContact O-CB 3.31Å; Y151-E156 PolarHBondContact O-N 3.47Å; S154-E156 PolarHBondContact O-N 3.44Å; E156-I158 VanDerWaalsContact C-N 3.31Å; E156-I158 PolarHBondContact O-N 2.85Å; E156-F159 PolarHBondContact O-N 3.39Å; E156-D160 PolarHBondContact O-N 3.3Å
157	G	97.9	Very high	97.9	Very high	24 Å²	24	35.2 Å²	35.2	25%	0.247	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-34.2	177.2	0	0	0	0	0	113.9	S154 V155 S161 V394	S154-G157 PolarHBondContact O-N 3.18Å; S154-G157 VanDerWaalsContact O-N 3.1Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-G157 PolarHBondContact O-N 3Å; G157-S161 WeakPolarHBondContact O-CB 3.3Å; G157-S161 PolarHBondContact O-N 2.92Å; G157-S161 PolarHBondContact O-OG 3.05Å; G157-V394 CarbonylContact C-O 3.57Å
158	I	98.5	Very high	97.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-51.3	174.2	-64.8	170.3	0	0	0	109.7	T139 S154 V155 E156 M162 F391 R392 V394	T139-I158 HydrophobicContact CG2-CD1 3.92Å; S154-I158 WeakPolarHBondContact O-CG1 3.07Å; S154-I158 PolarHBondContact O-N 3.3Å; V155-I158 WeakPolarHBondContact O-CB 3.28Å; V155-I158 PolarHBondContact O-N 3.17Å; E156-I158 VanDerWaalsContact C-N 3.31Å; E156-I158 PolarHBondContact O-N 2.85Å; I158-M162 WeakPolarHBondContact O-CB 3.37Å; I158-M162 PolarHBondContact O-N 2.78Å; I158-F391 HydrophobicContact CD1-CB 4.48Å; I158-R392 WeakPolarHBondContact CD1-O 3.37Å; I158-R392 WeakPolarHBondContact CG1-O 3.39Å; I158-V394 HydrophobicContact CD1-CG2 4.11Å; I158-V394 HydrophobicContact CG1-CB 4.23Å; I158-V394 HydrophobicContact CG1-CG2 3.73Å
159	F	98.3	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.7	-42.7	-177.8	-66.4	-44.4	0	0	0	113.1	V155 E156 M162 L163 Y176 F181 F182 W185	V155-F159 HydrophobicContact CG1-CD2 3.83Å; V155-F159 HydrophobicContact CG1-CE2 3.38Å; V155-F159 HydrophobicContact CG1-CZ 3.81Å; V155-F159 WeakPolarHBondContact O-CD2 3.39Å; V155-F159 PolarHBondContact O-N 2.86Å; E156-F159 PolarHBondContact O-N 3.39Å; F159-M162 HydrophobicContact CD1-CE 4.12Å; F159-M162 WeakPolarHBondContact O-CB 3.04Å; F159-M162 PolarHBondContact O-N 3.26Å; F159-L163 WeakPolarHBondContact O-CB 3.48Å; F159-L163 PolarHBondContact O-N 3.17Å; F159-Y176 AromaticContact CE1-CD1 3.93Å; F159-Y176 HydrophobicContact CE1-CD1 3.93Å; F159-Y176 AromaticContact CE1-CD2 3.95Å; F159-Y176 HydrophobicContact CE1-CD2 3.95Å; F159-Y176 AromaticContact CE1-CE1 3.59Å; F159-Y176 HydrophobicContact CE1-CE1 3.59Å; F159-Y176 AromaticContact CE1-CE2 3.63Å; F159-Y176 HydrophobicContact CE1-CE2 3.63Å; F159-Y176 HydrophobicContact CE1-CG 4.1Å; F159-Y176 AromaticContact CE1-CZ 3.45Å; F159-Y176 VanDerWaalsContact CE1-CZ 3.45Å; F159-Y176 HydrophobicContact CZ-CD1 4.29Å; F159-Y176 AromaticContact CZ-CE1 3.52Å; F159-Y176 HydrophobicContact CZ-CE1 3.52Å; F159-Y176 AromaticContact CZ-CE2 3.95Å; F159-Y176 HydrophobicContact CZ-CE2 3.95Å; F159-Y176 AromaticContact CZ-CZ 3.33Å; F159-Y176 WeakPolarHBondContact CZ-OH 3.43Å; F159-F181 HydrophobicContact CE2-CB 4.07Å; F159-F181 HydrophobicContact CZ-CB 4.09Å; F159-F182 HydrophobicContact CE1-CD2 4.08Å; F159-F182 HydrophobicContact CZ-CB 4.36Å; F159-F182 HydrophobicContact CZ-CD2 4.24Å; F159-W185 HydrophobicContact CB-CD2 3.52Å; F159-W185 HydrophobicContact CB-CE3 3.99Å; F159-W185 HydrophobicContact CB-CG 3.89Å; F159-W185 HydrophobicContact CB-CH2 4.15Å; F159-W185 HydrophobicContact CB-CZ2 3.71Å; F159-W185 HydrophobicContact CB-CZ3 4.27Å; F159-W185 HydrophobicContact CD1-CE3 4.46Å; F159-W185 HydrophobicContact CD2-CB 3.45Å; F159-W185 VanDerWaalsContact CD2-CB 3.45Å; F159-W185 AromaticContact CD2-CD1 3.87Å; F159-W185 AromaticContact CD2-CD2 3.73Å; F159-W185 HydrophobicContact CD2-CD2 3.73Å; F159-W185 HydrophobicContact CD2-CE3 4.15Å; F159-W185 AromaticContact CD2-CG 3.4Å; F159-W185 HydrophobicContact CD2-CG 3.4Å; F159-W185 HydrophobicContact CE2-CB 3.67Å; F159-W185 HydrophobicContact CE2-CG 4.12Å; F159-W185 HydrophobicContact CG-CB 4.4Å; F159-W185 AromaticContact CG-CD2 3.78Å; F159-W185 HydrophobicContact CG-CD2 3.78Å; F159-W185 AromaticContact CG-CE3 4Å; F159-W185 HydrophobicContact CG-CE3 4Å; F159-W185 AromaticContact CG-CG 3.95Å; F159-W185 HydrophobicContact CG-CG 3.95Å
160	D	97.5	Very high	97.8	Very high	76 Å²	76	37.1 Å²	37.1	41%	0.406	22%	0.216	S	C	.	.	H	α-helix	trans	-63.4	-46.5	179	-70.6	-6.5	0	0	0	110.8	E156 M162 L163 E164 W185	E156-D160 PolarHBondContact O-N 3.3Å; D160-M162 PolarHBondContact O-N 3.42Å; D160-L163 PolarHBondContact O-N 3.47Å; D160-E164 PolarHBondContact O-N 3.28Å; D160-W185 PolarHBondContact OD1-NE1 2.86Å
161	S	97.9	Very high	97.8	Very high	15 Å²	15	44.4 Å²	44.4	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-39.6	176.7	-60.1	0	0	0	0	111.8	G157 F165 V394 K395 D396	G157-S161 WeakPolarHBondContact O-CB 3.3Å; G157-S161 PolarHBondContact O-N 2.92Å; G157-S161 PolarHBondContact O-OG 3.05Å; S161-F165 WeakPolarHBondContact O-CB 3.32Å; S161-F165 PolarHBondContact O-N 3.19Å; S161-V394 PolarHBondContact OG-O 3.13Å; S161-K395 WeakPolarHBondContact OG-CA 3.25Å; S161-D396 PolarHBondContact OG-N 2.88Å
162	M	98.3	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-52.4	175.1	176.6	-162.7	69	0	0	110.9	I158 F159 D160 E164 F165 L166 F174 W185 L197 L206 W399	I158-M162 WeakPolarHBondContact O-CB 3.37Å; I158-M162 PolarHBondContact O-N 2.78Å; F159-M162 HydrophobicContact CD1-CE 4.12Å; F159-M162 WeakPolarHBondContact O-CB 3.04Å; F159-M162 PolarHBondContact O-N 3.26Å; D160-M162 PolarHBondContact O-N 3.42Å; M162-E164 VanDerWaalsContact C-N 3.35Å; M162-E164 PolarHBondContact O-N 2.89Å; M162-F165 PolarHBondContact O-N 2.95Å; M162-L166 HydrophobicContact CG-CD1 3.68Å; M162-L166 HydrophobicContact CG-CG 4.2Å; M162-L166 VanDerWaalsContact O-CB 3.32Å; M162-L166 WeakPolarHBondContact O-CB 3.49Å; M162-L166 VanDerWaalsContact O-CG 3.27Å; M162-L166 WeakPolarHBondContact O-CG 3.25Å; M162-L166 PolarHBondContact O-N 3.4Å; M162-F174 HydrophobicContact CG-CD1 4.03Å; M162-F174 HydrophobicContact CG-CG 4.41Å; M162-F174 HydrophobicContact SD-CD1 3.51Å; M162-F174 VanDerWaalsContact SD-CD1 3.51Å; M162-F174 HydrophobicContact SD-CE1 3.91Å; M162-F174 HydrophobicContact SD-CG 4.4Å; M162-W185 HydrophobicContact CE-CH2 4.43Å; M162-W185 HydrophobicContact CE-CZ3 4.49Å; M162-L197 HydrophobicContact CE-CD1 4.3Å; M162-L206 HydrophobicContact CE-CD2 3.99Å; M162-L206 HydrophobicContact SD-CD1 3.69Å; M162-L206 HydrophobicContact SD-CD2 4.24Å; M162-W399 HydrophobicContact CB-CH2 4.28Å; M162-W399 HydrophobicContact CB-CZ2 3.65Å; M162-W399 HydrophobicContact CG-CH2 4.16Å; M162-W399 HydrophobicContact CG-CZ2 4.01Å
163	L	98.1	Very high	97.8	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.063	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-45.9	-177.8	-177.7	64.5	0	0	0	110.9	F159 D160 S167 W185 M189 E193 N196 L197 L200	F159-L163 WeakPolarHBondContact O-CB 3.48Å; F159-L163 PolarHBondContact O-N 3.17Å; D160-L163 PolarHBondContact O-N 3.47Å; L163-S167 WeakPolarHBondContact O-CB 3.47Å; L163-S167 PolarHBondContact O-N 2.92Å; L163-S167 PolarHBondContact O-OG 3.01Å; L163-W185 HydrophobicContact CB-CH2 4.15Å; L163-W185 HydrophobicContact CB-CZ2 4.28Å; L163-W185 HydrophobicContact CD2-CH2 4Å; L163-W185 HydrophobicContact CD2-CZ2 4.01Å; L163-W185 HydrophobicContact CG-CH2 4.49Å; L163-M189 HydrophobicContact CD2-CE 3.91Å; L163-E193 HydrophobicContact CD2-CB 3.75Å; L163-E193 HydrophobicContact CD2-CG 4.09Å; L163-N196 HydrophobicContact CD1-CB 3.93Å; L163-L197 HydrophobicContact CD1-CB 4.09Å; L163-L197 HydrophobicContact CD1-CD1 4.46Å; L163-L200 HydrophobicContact CD1-CD1 3.82Å
164	E	97.5	Very high	97.9	Very high	106 Å²	106	39.6 Å²	39.6	50%	0.495	21%	0.207	S	C	.	.	H	α-helix	trans	-63.6	-50.8	177.6	-170.4	-170	154.8	0	0	111.5	D160 M162 S167 R168	D160-E164 PolarHBondContact O-N 3.28Å; M162-E164 VanDerWaalsContact C-N 3.35Å; M162-E164 PolarHBondContact O-N 2.89Å; E164-S167 PolarHBondContact O-N 2.68Å; E164-R168 WeakPolarHBondContact O-CG 3.38Å; E164-R168 PolarHBondContact O-N 3.32Å; E164-R168 IonicContact OE1-CZ 3.84Å; E164-R168 IonicContact OE1-NH1 2.99Å; E164-R168 PolarHBondContact OE1-NH1 3.23Å
165	F	98.5	Very high	98	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-45.9	-172.2	-168.8	-90.3	0	0	0	112.4	S161 M162 R168 T169 A172 W399 R400 Y403	S161-F165 WeakPolarHBondContact O-CB 3.32Å; S161-F165 PolarHBondContact O-N 3.19Å; M162-F165 PolarHBondContact O-N 2.95Å; F165-R168 WeakPolarHBondContact O-CG 3.47Å; F165-R168 PolarHBondContact O-N 2.79Å; F165-T169 HydrophobicContact CE1-CG2 4.17Å; F165-T169 HydrophobicContact CZ-CG2 4.44Å; F165-T169 WeakPolarHBondContact O-CB 3.29Å; F165-T169 PolarHBondContact O-N 3.27Å; F165-T169 VanDerWaalsContact O-N 3.14Å; F165-T169 PolarHBondContact O-OG1 3.42Å; F165-A172 HydrophobicContact CD1-CB 4.18Å; F165-A172 HydrophobicContact CE1-CB 3.95Å; F165-W399 HydrophobicContact CB-CB 4.32Å; F165-W399 HydrophobicContact CB-CD2 4.04Å; F165-W399 HydrophobicContact CB-CE3 4.22Å; F165-W399 HydrophobicContact CB-CG 4.12Å; F165-W399 HydrophobicContact CD1-CB 4.18Å; F165-W399 AromaticContact CD1-CD2 3.98Å; F165-W399 HydrophobicContact CD1-CD2 3.98Å; F165-W399 AromaticContact CD1-CE3 3.38Å; F165-W399 HydrophobicContact CD1-CE3 3.38Å; F165-W399 HydrophobicContact CD1-CG 4.36Å; F165-W399 HydrophobicContact CD1-CZ3 4.05Å; F165-W399 HydrophobicContact CD2-CB 3.52Å; F165-W399 HydrophobicContact CD2-CG 4.21Å; F165-W399 HydrophobicContact CE1-CB 4.42Å; F165-W399 AromaticContact CE1-CE3 3.91Å; F165-W399 HydrophobicContact CE1-CE3 3.91Å; F165-W399 HydrophobicContact CE2-CB 3.81Å; F165-W399 HydrophobicContact CG-CB 3.74Å; F165-W399 AromaticContact CG-CD2 3.97Å; F165-W399 HydrophobicContact CG-CD2 3.97Å; F165-W399 AromaticContact CG-CE3 3.86Å; F165-W399 HydrophobicContact CG-CE3 3.86Å; F165-W399 AromaticContact CG-CG 3.97Å; F165-W399 HydrophobicContact CG-CG 3.97Å; F165-W399 HydrophobicContact CZ-CB 4.26Å; F165-R400 HydrophobicContact CE2-CG 3.83Å; F165-Y403 HydrophobicContact CE1-CD1 4.17Å; F165-Y403 HydrophobicContact CE1-CD2 4Å; F165-Y403 AromaticContact CE1-CG 3.72Å; F165-Y403 HydrophobicContact CE1-CG 3.72Å; F165-Y403 AromaticContact CZ-CD1 3.8Å; F165-Y403 HydrophobicContact CZ-CD1 3.8Å; F165-Y403 HydrophobicContact CZ-CD2 4.41Å; F165-Y403 AromaticContact CZ-CG 3.66Å; F165-Y403 HydrophobicContact CZ-CG 3.66Å
166	L	98.5	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-39	177.8	-64.8	-175.8	0	0	0	111.4	M162 R168 T169 A172 F174 L200 Q205 L206 W399	M162-L166 HydrophobicContact CG-CD1 3.68Å; M162-L166 HydrophobicContact CG-CG 4.2Å; M162-L166 VanDerWaalsContact O-CB 3.32Å; M162-L166 WeakPolarHBondContact O-CB 3.49Å; M162-L166 VanDerWaalsContact O-CG 3.27Å; M162-L166 WeakPolarHBondContact O-CG 3.25Å; M162-L166 PolarHBondContact O-N 3.4Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 2.97Å; L166-T169 PolarHBondContact O-N 2.74Å; L166-A172 HydrophobicContact CD2-CB 3.53Å; L166-F174 HydrophobicContact CD1-CB 4.02Å; L166-L200 HydrophobicContact CB-CD1 3.7Å; L166-L200 HydrophobicContact CB-CD2 3.76Å; L166-L200 HydrophobicContact CB-CG 4.36Å; L166-L200 HydrophobicContact CD1-CD1 4.18Å; L166-Q205 PolarHBondContact O-NE2 2.88Å; L166-L206 HydrophobicContact CD1-CB 4.32Å; L166-W399 HydrophobicContact CD2-CH2 4.43Å; L166-W399 HydrophobicContact CD2-CZ3 4.15Å
167	S	97.7	Very high	98	Very high	54 Å²	54	35.8 Å²	35.8	38%	0.378	19%	0.188	S	C	.	.	H	α-helix	trans	-61.6	-31.9	-180	-66.4	0	0	0	0	113.4	L163 E164	L163-S167 WeakPolarHBondContact O-CB 3.47Å; L163-S167 PolarHBondContact O-N 2.92Å; L163-S167 PolarHBondContact O-OG 3.01Å; E164-S167 PolarHBondContact O-N 2.68Å
168	R	96.9	Very high	98.1	Very high	116 Å²	116	34.7 Å²	34.7	44%	0.438	18%	0.177	S	C	.	.	H	α-helix	trans	-98.4	-6.1	179.7	72.5	-171.6	-167	-164.7	2.4	114.1	E164 F165 L166 D396	E164-R168 WeakPolarHBondContact O-CG 3.38Å; E164-R168 PolarHBondContact O-N 3.32Å; E164-R168 IonicContact OE1-CZ 3.84Å; E164-R168 IonicContact OE1-NH1 2.99Å; E164-R168 PolarHBondContact OE1-NH1 3.23Å; F165-R168 WeakPolarHBondContact O-CG 3.47Å; F165-R168 PolarHBondContact O-N 2.79Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 2.97Å; R168-D396 IonicContact CZ-OD1 3.7Å; R168-D396 IonicContact NH1-OD1 3.64Å; R168-D396 IonicContact NH2-OD1 3.83Å; R168-D396 PolarHBondContact NH2-OD1 3.16Å; R168-D396 IonicContact NH2-OD2 3.34Å
169	T	97.7	Very high	98.1	Very high	23 Å²	23	34.7 Å²	34.7	14%	0.141	18%	0.177	C	C	.	.			trans	-129.5	84	-172.9	-44	0	0	0	0	111	F165 L166 K171 A172 Q205 Y403	F165-T169 HydrophobicContact CE1-CG2 4.17Å; F165-T169 HydrophobicContact CZ-CG2 4.44Å; F165-T169 WeakPolarHBondContact O-CB 3.29Å; F165-T169 PolarHBondContact O-N 3.27Å; F165-T169 VanDerWaalsContact O-N 3.14Å; F165-T169 PolarHBondContact O-OG1 3.42Å; L166-T169 PolarHBondContact O-N 2.74Å; T169-K171 PolarHBondContact O-N 2.72Å; T169-A172 HydrophobicContact CG2-CB 3.94Å; T169-A172 WeakPolarHBondContact O-CB 3.31Å; T169-A172 PolarHBondContact O-N 2.6Å; T169-Q205 PolarHBondContact O-NE2 3.03Å; T169-Y403 HydrophobicContact CG2-CD1 4.17Å; T169-Y403 HydrophobicContact CG2-CE1 3.47Å; T169-Y403 VanDerWaalsContact CG2-CE1 3.47Å; T169-Y403 HydrophobicContact CG2-CE2 3.99Å; T169-Y403 WeakPolarHBondContact CG2-OH 3.4Å
170	P	96.7	Very high	98	Very high	106 Å²	106	34.8 Å²	34.8	69%	0.688	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.1	-168.6	-28.3	35.8	0	0	0	116.7
171	K	97	Very high	98.1	Very high	167 Å²	167	31.1 Å²	31.1	73%	0.726	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.3	178.7	-68.4	-177.1	-179.8	-179.8	0	113.5	T169 Y403	T169-K171 PolarHBondContact O-N 2.72Å; K171-Y403 WeakPolarHBondContact CB-OH 3.41Å
172	A	98.3	Very high	98.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	15%	0.153	C	C	.	.			trans	-73.1	143.7	176.1	0	0	0	0	0	110.3	F165 L166 T169 Q205 Y403	F165-A172 HydrophobicContact CD1-CB 4.18Å; F165-A172 HydrophobicContact CE1-CB 3.95Å; L166-A172 HydrophobicContact CD2-CB 3.53Å; T169-A172 HydrophobicContact CG2-CB 3.94Å; T169-A172 WeakPolarHBondContact O-CB 3.31Å; T169-A172 PolarHBondContact O-N 2.6Å; A172-Q205 WeakPolarHBondContact O-CG 3.28Å; A172-Q205 PolarHBondContact O-NE2 2.9Å; A172-Y403 HydrophobicContact CB-CD2 3.87Å; A172-Y403 HydrophobicContact CB-CE2 3.59Å
173	K	98.7	Very high	98	Very high	35 Å²	35	31.2 Å²	31.2	15%	0.152	16%	0.156	C	C	.	.			trans	-130.3	154.5	-179.1	-59.4	-66.2	-150.5	155.8	0	109.8	P135 G204 Q205 F425 G426 T427 D430	P135-K173 WeakPolarHBondContact CB-O 3.1Å; P135-K173 WeakPolarHBondContact CG-O 3.05Å; K173-G204 WeakPolarHBondContact CD-O 3.29Å; K173-G204 PolarHBondContact NZ-O 3.15Å; K173-Q205 CarbonylContact C-O 3.52Å; K173-Q205 VanDerWaalsContact CA-O 3.24Å; K173-Q205 WeakPolarHBondContact CA-O 3.49Å; K173-F425 HydrophobicContact CB-CB 4.16Å; K173-F425 HydrophobicContact CG-CB 3.98Å; K173-G426 WeakPolarHBondContact CB-O 2.98Å; K173-T427 HydrophobicContact CB-CG2 4.1Å; K173-T427 HydrophobicContact CD-CG2 4.1Å; K173-T427 HydrophobicContact CG-CG2 4.44Å; K173-D430 IonicContact NZ-OD2 3.41Å; K173-D430 PolarHBondContact NZ-OD2 2.8Å
174	F	98.9	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	147.6	174.5	-163.8	-109.5	0	0	0	110.7	P135 M162 L166 Y176 Q205 L206 E207 Y393 W399	P135-F174 HydrophobicContact CB-CD2 3.76Å; P135-F174 HydrophobicContact CB-CE2 4.38Å; P135-F174 WeakPolarHBondContact O-CA 3.25Å; P135-F174 WeakPolarHBondContact O-CD2 3.22Å; M162-F174 HydrophobicContact CG-CD1 4.03Å; M162-F174 HydrophobicContact CG-CG 4.41Å; M162-F174 HydrophobicContact SD-CD1 3.51Å; M162-F174 VanDerWaalsContact SD-CD1 3.51Å; M162-F174 HydrophobicContact SD-CE1 3.91Å; M162-F174 HydrophobicContact SD-CG 4.4Å; L166-F174 HydrophobicContact CD1-CB 4.02Å; F174-Y176 HydrophobicContact CE1-CD2 4.27Å; F174-Q205 PolarHBondContact N-O 3.47Å; F174-L206 HydrophobicContact CB-CD1 4.29Å; F174-L206 HydrophobicContact CD1-CD1 4Å; F174-L206 WeakPolarHBondContact O-CA 3.31Å; F174-E207 PolarHBondContact O-N 2.79Å; F174-Y393 AromaticContact CE2-CD2 3.75Å; F174-Y393 HydrophobicContact CE2-CD2 3.75Å; F174-Y393 HydrophobicContact CE2-CE2 4.15Å; F174-Y393 HydrophobicContact CE2-CG 4.11Å; F174-Y393 HydrophobicContact CZ-CD2 4.45Å; F174-W399 HydrophobicContact CB-CH2 4.05Å; F174-W399 AromaticContact CD2-CH2 3.38Å; F174-W399 HydrophobicContact CD2-CH2 3.38Å; F174-W399 HydrophobicContact CD2-CZ2 4.04Å; F174-W399 HydrophobicContact CD2-CZ3 4.23Å; F174-W399 AromaticContact CE2-CH2 3.9Å; F174-W399 HydrophobicContact CE2-CH2 3.9Å; F174-W399 HydrophobicContact CE2-CZ2 4.11Å; F174-W399 AromaticContact CG-CH2 3.78Å; F174-W399 HydrophobicContact CG-CH2 3.78Å; F174-W399 HydrophobicContact CG-CZ2 4.48Å
175	I	98.8	Very high	97.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.1	169.7	68.3	170.8	0	0	0	110.9	V134 P135 H136 E207 V209 W249 T427 L428	V134-I175 HydrophobicContact CG1-CB 4.38Å; V134-I175 HydrophobicContact CG1-CD1 3.67Å; V134-I175 HydrophobicContact CG1-CG1 3.87Å; V134-I175 HydrophobicContact CG1-CG2 3.61Å; P135-I175 PolarHBondContact O-N 3.24Å; H136-I175 HydrophobicContact CB-CD1 4.07Å; H136-I175 HydrophobicContact CB-CG1 3.6Å; I175-E207 VanDerWaalsContact CA-O 3.28Å; I175-E207 WeakPolarHBondContact CA-O 3.45Å; I175-E207 HydrophobicContact CG2-CB 4.16Å; I175-V209 HydrophobicContact CB-CG1 3.93Å; I175-V209 HydrophobicContact CB-CG2 4.29Å; I175-V209 HydrophobicContact CD1-CG1 4.35Å; I175-V209 HydrophobicContact CD1-CG2 4.27Å; I175-V209 HydrophobicContact CG2-CG1 4.15Å; I175-W249 HydrophobicContact CD1-CD2 3.92Å; I175-W249 HydrophobicContact CD1-CE3 3.89Å; I175-W249 HydrophobicContact CD1-CH2 4.11Å; I175-W249 HydrophobicContact CD1-CZ2 4.14Å; I175-W249 HydrophobicContact CD1-CZ3 3.97Å; I175-T427 HydrophobicContact CG2-CG2 4.41Å; I175-L428 HydrophobicContact CD1-CD1 4.44Å; I175-L428 HydrophobicContact CD1-CG 4.19Å
176	Y	98.7	Very high	97.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.4	178.6	-168.7	-102.3	0	0	0	112.7	T139 F159 F174 E178 M179 F181 F182 E207 I208 V209	T139-Y176 HydrophobicContact CG2-CE2 4.26Å; T139-Y176 WeakPolarHBondContact OG1-CE2 3.05Å; T139-Y176 PolarHBondContact OG1-OH 3.37Å; F159-Y176 AromaticContact CE1-CD1 3.93Å; F159-Y176 HydrophobicContact CE1-CD1 3.93Å; F159-Y176 AromaticContact CE1-CD2 3.95Å; F159-Y176 HydrophobicContact CE1-CD2 3.95Å; F159-Y176 AromaticContact CE1-CE1 3.59Å; F159-Y176 HydrophobicContact CE1-CE1 3.59Å; F159-Y176 AromaticContact CE1-CE2 3.63Å; F159-Y176 HydrophobicContact CE1-CE2 3.63Å; F159-Y176 HydrophobicContact CE1-CG 4.1Å; F159-Y176 AromaticContact CE1-CZ 3.45Å; F159-Y176 VanDerWaalsContact CE1-CZ 3.45Å; F159-Y176 HydrophobicContact CZ-CD1 4.29Å; F159-Y176 AromaticContact CZ-CE1 3.52Å; F159-Y176 HydrophobicContact CZ-CE1 3.52Å; F159-Y176 AromaticContact CZ-CE2 3.95Å; F159-Y176 HydrophobicContact CZ-CE2 3.95Å; F159-Y176 AromaticContact CZ-CZ 3.33Å; F159-Y176 WeakPolarHBondContact CZ-OH 3.43Å; F174-Y176 HydrophobicContact CE1-CD2 4.27Å; Y176-E178 VanDerWaalsContact CE1-O 3.28Å; Y176-E178 WeakPolarHBondContact CE1-O 3.46Å; Y176-E178 PolarHBondContact OH-O 3.12Å; Y176-M179 HydrophobicContact CD1-CE 3.82Å; Y176-M179 HydrophobicContact CE1-CE 4.11Å; Y176-F181 WeakPolarHBondContact OH-CB 3.27Å; Y176-F182 HydrophobicContact CD1-CB 4.45Å; Y176-F182 AromaticContact CD1-CD2 3.86Å; Y176-F182 HydrophobicContact CD1-CD2 3.86Å; Y176-F182 HydrophobicContact CE1-CB 4Å; Y176-F182 HydrophobicContact CE1-CD2 4.12Å; Y176-E207 PolarHBondContact N-O 2.78Å; Y176-I208 HydrophobicContact CD1-CD1 4.5Å; Y176-I208 CarbonylContact O-C 3.53Å; Y176-I208 WeakPolarHBondContact O-CA 3.49Å; Y176-V209 WeakPolarHBondContact O-CG2 3.1Å; Y176-V209 PolarHBondContact O-N 3.41Å
177	A	98.3	Very high	97.6	Very high	8 Å²	8	35.4 Å²	35.4	7%	0.066	17%	0.17	C	C	.	.			trans	-118.1	-44.2	-167.3	0	0	0	0	0	116	M179 V209	A177-M179 VanDerWaalsContact O-CE 3.29Å; A177-M179 WeakPolarHBondContact O-CE 3.38Å; A177-M179 PolarHBondContact O-N 2.91Å; A177-V209 WeakPolarHBondContact CA-O 3.47Å; A177-V209 HydrophobicContact CB-CG2 3.95Å
178	E	98.5	Very high	97.4	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	18%	0.175	C	C	.	.			trans	-87.8	100.1	-166	-61.2	75.1	-150.5	0	0	114.1	T139 P141 Y176 S180 F181 F182	T139-E178 PolarHBondContact OG1-OE2 3.25Å; P141-E178 HydrophobicContact CG-CB 4.16Å; P141-E178 HydrophobicContact CG-CG 3.99Å; Y176-E178 VanDerWaalsContact CE1-O 3.28Å; Y176-E178 WeakPolarHBondContact CE1-O 3.46Å; Y176-E178 PolarHBondContact OH-O 3.12Å; E178-S180 PolarHBondContact O-N 2.8Å; E178-F181 HydrophobicContact CB-CD2 4.49Å; E178-F181 PolarHBondContact O-N 3.43Å; E178-F182 PolarHBondContact O-N 3.37Å
179	M	98.5	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.8	-18.8	-173.9	-63.9	-56.5	97.8	0	0	114.6	Y176 A177 F181 F182 E183 I208 G211 A212 W213 L237	Y176-M179 HydrophobicContact CD1-CE 3.82Å; Y176-M179 HydrophobicContact CE1-CE 4.11Å; A177-M179 VanDerWaalsContact O-CE 3.29Å; A177-M179 WeakPolarHBondContact O-CE 3.38Å; A177-M179 PolarHBondContact O-N 2.91Å; M179-F181 PolarHBondContact O-N 2.86Å; M179-F182 HydrophobicContact CE-CB 4.14Å; M179-F182 HydrophobicContact CE-CG 4.44Å; M179-F182 PolarHBondContact O-N 2.9Å; M179-F182 HydrophobicContact SD-CB 4.11Å; M179-F182 HydrophobicContact SD-CD1 4.46Å; M179-F182 HydrophobicContact SD-CG 4.32Å; M179-E183 VanDerWaalsContact O-CB 3.28Å; M179-E183 WeakPolarHBondContact O-CB 3.04Å; M179-E183 PolarHBondContact O-N 3.11Å; M179-I208 HydrophobicContact CE-CD1 4.25Å; M179-I208 HydrophobicContact CE-CG2 3.41Å; M179-I208 VanDerWaalsContact CE-CG2 3.41Å; M179-I208 HydrophobicContact SD-CG2 3.75Å; M179-G211 VanDerWaalsContact CG-C 3.48Å; M179-G211 VanDerWaalsContact CG-O 3.31Å; M179-G211 WeakPolarHBondContact CG-O 3.46Å; M179-A212 VanDerWaalsContact CB-O 3.31Å; M179-A212 WeakPolarHBondContact CB-O 3.39Å; M179-A212 WeakPolarHBondContact CG-O 3.45Å; M179-A212 PolarHBondContact N-O 3.34Å; M179-W213 HydrophobicContact CB-CE3 4.45Å; M179-W213 PolarHBondContact N-O 2.95Å; M179-L237 HydrophobicContact CG-CD1 4.09Å; M179-L237 HydrophobicContact CG-CG 4.3Å; M179-L237 HydrophobicContact SD-CD1 3.81Å; M179-L237 HydrophobicContact SD-CD2 3.66Å; M179-L237 HydrophobicContact SD-CG 3.82Å
180	S	98.2	Very high	97.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-57.1	-48	173.5	49.9	0	0	0	0	112.2	E178 R184 W213	E178-S180 PolarHBondContact O-N 2.8Å; S180-R184 PolarHBondContact O-N 3.23Å; S180-W213 WeakPolarHBondContact CB-O 3.32Å; S180-W213 PolarHBondContact N-O 3.43Å; S180-W213 PolarHBondContact OG-O 3.05Å
181	F	98.4	Very high	97	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71.7	-40.5	174.9	-79.1	-52.6	0	0	0	112.8	T139 D140 P141 F147 Y151 V155 F159 Y176 E178 M179 E183 R184 W185	T139-F181 WeakPolarHBondContact O-CE2 3.11Å; D140-F181 WeakPolarHBondContact O-CE2 3.25Å; P141-F181 HydrophobicContact CB-CE2 4.16Å; P141-F181 HydrophobicContact CG-CD2 4.3Å; P141-F181 HydrophobicContact CG-CE2 4.04Å; F147-F181 HydrophobicContact CD1-CE1 4.31Å; F147-F181 HydrophobicContact CD2-CD1 4.01Å; F147-F181 AromaticContact CD2-CE1 3.5Å; F147-F181 HydrophobicContact CD2-CE1 3.5Å; F147-F181 HydrophobicContact CD2-CE2 4.38Å; F147-F181 AromaticContact CD2-CZ 3.72Å; F147-F181 HydrophobicContact CD2-CZ 3.72Å; F147-F181 HydrophobicContact CE1-CD1 4.21Å; F147-F181 HydrophobicContact CE1-CE1 4.21Å; F147-F181 AromaticContact CE2-CD1 3.37Å; F147-F181 HydrophobicContact CE2-CD1 3.37Å; F147-F181 HydrophobicContact CE2-CD2 4.28Å; F147-F181 AromaticContact CE2-CE1 3.4Å; F147-F181 HydrophobicContact CE2-CE1 3.4Å; F147-F181 HydrophobicContact CE2-CE2 4.31Å; F147-F181 AromaticContact CE2-CG 3.83Å; F147-F181 HydrophobicContact CE2-CG 3.83Å; F147-F181 AromaticContact CE2-CZ 3.89Å; F147-F181 HydrophobicContact CE2-CZ 3.89Å; F147-F181 AromaticContact CG-CE1 3.97Å; F147-F181 HydrophobicContact CG-CE1 3.97Å; F147-F181 HydrophobicContact CG-CZ 4.39Å; F147-F181 AromaticContact CZ-CD1 3.5Å; F147-F181 HydrophobicContact CZ-CD1 3.5Å; F147-F181 VanDerWaalsContact CZ-CD1 3.5Å; F147-F181 AromaticContact CZ-CE1 3.78Å; F147-F181 HydrophobicContact CZ-CE1 3.78Å; F147-F181 HydrophobicContact CZ-CG 4.19Å; F147-F181 WeakPolarHBondContact O-CE1 3.17Å; Y151-F181 HydrophobicContact CD2-CD1 4.14Å; V155-F181 HydrophobicContact CB-CD1 4.31Å; V155-F181 HydrophobicContact CB-CG 4.45Å; V155-F181 HydrophobicContact CG1-CB 3.86Å; V155-F181 HydrophobicContact CG1-CD1 4.09Å; V155-F181 HydrophobicContact CG1-CD2 4.27Å; V155-F181 HydrophobicContact CG1-CG 3.83Å; V155-F181 HydrophobicContact CG2-CD1 4.24Å; V155-F181 HydrophobicContact CG2-CD2 4.19Å; V155-F181 HydrophobicContact CG2-CE1 4.11Å; V155-F181 HydrophobicContact CG2-CE2 4.03Å; V155-F181 HydrophobicContact CG2-CG 4.29Å; V155-F181 HydrophobicContact CG2-CZ 4Å; F159-F181 HydrophobicContact CE2-CB 4.07Å; F159-F181 HydrophobicContact CZ-CB 4.09Å; Y176-F181 WeakPolarHBondContact OH-CB 3.27Å; E178-F181 HydrophobicContact CB-CD2 4.49Å; E178-F181 PolarHBondContact O-N 3.43Å; M179-F181 PolarHBondContact O-N 2.86Å; F181-E183 VanDerWaalsContact C-N 3.3Å; F181-E183 PolarHBondContact O-N 2.94Å; F181-R184 WeakPolarHBondContact O-CB 3.11Å; F181-R184 PolarHBondContact O-N 3.01Å; F181-R184 VanDerWaalsContact O-N 3.16Å; F181-W185 PolarHBondContact O-N 3.41Å
182	F	97.8	Very high	96.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-41.3	179.7	-162.1	-89.7	0	0	0	111.7	F159 Y176 E178 M179 W185 W186 L197 I208 W236	F159-F182 HydrophobicContact CE1-CD2 4.08Å; F159-F182 HydrophobicContact CZ-CB 4.36Å; F159-F182 HydrophobicContact CZ-CD2 4.24Å; Y176-F182 HydrophobicContact CD1-CB 4.45Å; Y176-F182 AromaticContact CD1-CD2 3.86Å; Y176-F182 HydrophobicContact CD1-CD2 3.86Å; Y176-F182 HydrophobicContact CE1-CB 4Å; Y176-F182 HydrophobicContact CE1-CD2 4.12Å; E178-F182 PolarHBondContact O-N 3.37Å; M179-F182 HydrophobicContact CE-CB 4.14Å; M179-F182 HydrophobicContact CE-CG 4.44Å; M179-F182 PolarHBondContact O-N 2.9Å; M179-F182 HydrophobicContact SD-CB 4.11Å; M179-F182 HydrophobicContact SD-CD1 4.46Å; M179-F182 HydrophobicContact SD-CG 4.32Å; F182-W185 HydrophobicContact CE2-CZ3 4.4Å; F182-W185 PolarHBondContact O-N 2.62Å; F182-W186 WeakPolarHBondContact O-CB 3.14Å; F182-W186 PolarHBondContact O-N 2.92Å; F182-L197 HydrophobicContact CE1-CD2 4.01Å; F182-L197 HydrophobicContact CE2-CD1 4.38Å; F182-L197 HydrophobicContact CE2-CD2 4.34Å; F182-L197 HydrophobicContact CZ-CD1 4.12Å; F182-L197 HydrophobicContact CZ-CD2 3.49Å; F182-L197 VanDerWaalsContact CZ-CD2 3.49Å; F182-L197 HydrophobicContact CZ-CG 4.21Å; F182-I208 HydrophobicContact CD2-CD1 4.36Å; F182-I208 HydrophobicContact CE2-CD1 3.94Å; F182-I208 HydrophobicContact CZ-CD1 4.27Å; F182-W236 AromaticContact CD1-CH2 3.59Å; F182-W236 HydrophobicContact CD1-CH2 3.59Å; F182-W236 AromaticContact CD1-CZ3 3.41Å; F182-W236 HydrophobicContact CD1-CZ3 3.41Å; F182-W236 VanDerWaalsContact CD1-CZ3 3.41Å; F182-W236 AromaticContact CE1-CH2 3.86Å; F182-W236 HydrophobicContact CE1-CH2 3.86Å; F182-W236 AromaticContact CE1-CZ3 3.71Å; F182-W236 HydrophobicContact CE1-CZ3 3.71Å
183	E	97.1	Very high	96.8	Very high	16 Å²	16	39.4 Å²	39.4	8%	0.075	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-42.2	174.8	-170	-93.3	-179.1	0	0	112.4	M179 F181 W186 K187 W213 W236 R510	M179-E183 VanDerWaalsContact O-CB 3.28Å; M179-E183 WeakPolarHBondContact O-CB 3.04Å; M179-E183 PolarHBondContact O-N 3.11Å; F181-E183 VanDerWaalsContact C-N 3.3Å; F181-E183 PolarHBondContact O-N 2.94Å; E183-W186 PolarHBondContact O-N 3.5Å; E183-K187 PolarHBondContact O-N 3.37Å; E183-K187 WeakPolarHBondContact OE1-CE 3.48Å; E183-K187 IonicContact OE1-NZ 3.9Å; E183-K187 PolarHBondContact OE1-NZ 2.8Å; E183-K187 WeakPolarHBondContact OE2-CE 3.32Å; E183-K187 IonicContact OE2-NZ 3.91Å; E183-K187 PolarHBondContact OE2-NZ 2.88Å; E183-W213 HydrophobicContact CB-CH2 3.85Å; E183-W213 HydrophobicContact CB-CZ3 4.01Å; E183-W213 HydrophobicContact CG-CH2 3.98Å; E183-W213 HydrophobicContact CG-CZ3 4.26Å; E183-W236 HydrophobicContact CB-CD2 4.28Å; E183-W236 HydrophobicContact CB-CZ2 4.17Å; E183-W236 HydrophobicContact CG-CD2 4.12Å; E183-W236 VanDerWaalsContact CG-CE2 3.49Å; E183-W236 HydrophobicContact CG-CG 4.18Å; E183-W236 HydrophobicContact CG-CZ2 3.98Å; E183-R510 VanDerWaalsContact CD-NH1 3.28Å; E183-R510 IonicContact OE1-CZ 3.4Å; E183-R510 IonicContact OE1-NH1 3.94Å; E183-R510 PolarHBondContact OE1-NH1 3.34Å; E183-R510 IonicContact OE1-NH2 2.68Å; E183-R510 PolarHBondContact OE1-NH2 3.39Å; E183-R510 IonicContact OE2-NH1 3.92Å
184	R	96.3	Very high	96.7	Very high	67 Å²	67	41.6 Å²	41.6	25%	0.253	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-44.3	177.1	174	65.4	-168.3	87.3	4.1	111.2	F147 Y151 S180 F181 D188	F147-R184 HydrophobicContact CE1-CB 4.28Å; F147-R184 HydrophobicContact CE1-CG 4.27Å; F147-R184 HydrophobicContact CZ-CB 4.19Å; Y151-R184 HydrophobicContact CD1-CG 4.28Å; Y151-R184 HydrophobicContact CD2-CB 4.37Å; Y151-R184 HydrophobicContact CD2-CG 3.67Å; Y151-R184 HydrophobicContact CE1-CG 4.25Å; Y151-R184 HydrophobicContact CE2-CB 4.26Å; Y151-R184 HydrophobicContact CE2-CG 3.61Å; Y151-R184 HydrophobicContact CG-CG 4.01Å; S180-R184 PolarHBondContact O-N 3.23Å; F181-R184 WeakPolarHBondContact O-CB 3.11Å; F181-R184 PolarHBondContact O-N 3.01Å; F181-R184 VanDerWaalsContact O-N 3.16Å; R184-D188 IonicContact CZ-OD2 3.05Å; R184-D188 IonicContact NH1-OD1 3.82Å; R184-D188 PolarHBondContact NH1-OD1 3.45Å; R184-D188 IonicContact NH1-OD2 3.95Å; R184-D188 PolarHBondContact NH1-OD2 3.44Å; R184-D188 IonicContact NH2-OD2 2.63Å; R184-D188 PolarHBondContact NH2-OD2 2.71Å; R184-D188 VanDerWaalsContact NH2-OD2 3.16Å
185	W	97.3	Very high	96.6	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.027	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-46	177.3	179.8	64.5	0	0	0	112	Y151 F159 D160 M162 L163 F181 F182 K187 D188 M189 L197	Y151-W185 HydrophobicContact CE2-CB 4.04Å; Y151-W185 WeakPolarHBondContact OH-CA 3.35Å; F159-W185 HydrophobicContact CB-CD2 3.52Å; F159-W185 HydrophobicContact CB-CE3 3.99Å; F159-W185 HydrophobicContact CB-CG 3.89Å; F159-W185 HydrophobicContact CB-CH2 4.15Å; F159-W185 HydrophobicContact CB-CZ2 3.71Å; F159-W185 HydrophobicContact CB-CZ3 4.27Å; F159-W185 HydrophobicContact CD1-CE3 4.46Å; F159-W185 HydrophobicContact CD2-CB 3.45Å; F159-W185 VanDerWaalsContact CD2-CB 3.45Å; F159-W185 AromaticContact CD2-CD1 3.87Å; F159-W185 AromaticContact CD2-CD2 3.73Å; F159-W185 HydrophobicContact CD2-CD2 3.73Å; F159-W185 HydrophobicContact CD2-CE3 4.15Å; F159-W185 AromaticContact CD2-CG 3.4Å; F159-W185 HydrophobicContact CD2-CG 3.4Å; F159-W185 HydrophobicContact CE2-CB 3.67Å; F159-W185 HydrophobicContact CE2-CG 4.12Å; F159-W185 HydrophobicContact CG-CB 4.4Å; F159-W185 AromaticContact CG-CD2 3.78Å; F159-W185 HydrophobicContact CG-CD2 3.78Å; F159-W185 AromaticContact CG-CE3 4Å; F159-W185 HydrophobicContact CG-CE3 4Å; F159-W185 AromaticContact CG-CG 3.95Å; F159-W185 HydrophobicContact CG-CG 3.95Å; D160-W185 PolarHBondContact OD1-NE1 2.86Å; M162-W185 HydrophobicContact CE-CH2 4.43Å; M162-W185 HydrophobicContact CE-CZ3 4.49Å; L163-W185 HydrophobicContact CB-CH2 4.15Å; L163-W185 HydrophobicContact CB-CZ2 4.28Å; L163-W185 HydrophobicContact CD2-CH2 4Å; L163-W185 HydrophobicContact CD2-CZ2 4.01Å; L163-W185 HydrophobicContact CG-CH2 4.49Å; F181-W185 PolarHBondContact O-N 3.41Å; F182-W185 HydrophobicContact CE2-CZ3 4.4Å; F182-W185 PolarHBondContact O-N 2.62Å; W185-K187 PolarHBondContact O-N 3.44Å; W185-K187 VanDerWaalsContact O-N 3.09Å; W185-D188 PolarHBondContact O-N 3.39Å; W185-M189 HydrophobicContact CD2-CG 4.03Å; W185-M189 HydrophobicContact CD2-SD 3.8Å; W185-M189 HydrophobicContact CE3-CE 4.41Å; W185-M189 HydrophobicContact CE3-CG 4.36Å; W185-M189 HydrophobicContact CE3-SD 3.52Å; W185-M189 VanDerWaalsContact CE3-SD 3.52Å; W185-M189 HydrophobicContact CH2-CE 3.36Å; W185-M189 HydrophobicContact CH2-CG 4.48Å; W185-M189 HydrophobicContact CH2-SD 3.6Å; W185-M189 HydrophobicContact CZ2-CE 3.7Å; W185-M189 HydrophobicContact CZ2-CG 4.14Å; W185-M189 HydrophobicContact CZ2-SD 3.86Å; W185-M189 HydrophobicContact CZ3-CE 3.76Å; W185-M189 HydrophobicContact CZ3-SD 3.42Å; W185-M189 WeakPolarHBondContact CZ3-SD 3.17Å; W185-M189 PolarHBondContact O-N 3.35Å; W185-L197 HydrophobicContact CH2-CD1 4.22Å; W185-L197 HydrophobicContact CH2-CD2 4.47Å; W185-L197 HydrophobicContact CZ3-CD1 3.97Å; W185-L197 HydrophobicContact CZ3-CD2 3.81Å; W185-L197 HydrophobicContact CZ3-CG 4.45Å
186	W	96.7	Very high	96.5	Very high	25 Å²	25	47.6 Å²	47.6	10%	0.095	22%	0.224	C	C	.	.	H	α-helix	trans	-55.2	-33.7	-179.4	177.8	-89.6	0	0	0	113.8	F182 E183 D188 M189 R194 L197 W236 V241	F182-W186 WeakPolarHBondContact O-CB 3.14Å; F182-W186 PolarHBondContact O-N 2.92Å; E183-W186 PolarHBondContact O-N 3.5Å; W186-D188 VanDerWaalsContact C-N 3.26Å; W186-D188 PolarHBondContact O-N 3.05Å; W186-M189 HydrophobicContact CE3-SD 3.87Å; W186-M189 PolarHBondContact O-N 3.45Å; W186-R194 HydrophobicContact CD2-CG 4.29Å; W186-R194 HydrophobicContact CE3-CG 4.03Å; W186-R194 HydrophobicContact CH2-CB 3.78Å; W186-R194 HydrophobicContact CH2-CG 3.71Å; W186-R194 HydrophobicContact CZ2-CB 4.39Å; W186-R194 HydrophobicContact CZ2-CG 3.97Å; W186-R194 HydrophobicContact CZ3-CB 3.96Å; W186-R194 HydrophobicContact CZ3-CG 3.72Å; W186-R194 PolarHBondContact O-NE 3.41Å; W186-R194 PolarHBondContact O-NH2 3.4Å; W186-L197 HydrophobicContact CE3-CD2 3.68Å; W186-L197 HydrophobicContact CZ3-CD2 3.56Å; W186-W236 HydrophobicContact CB-CH2 3.7Å; W186-W236 HydrophobicContact CB-CZ2 3.64Å; W186-W236 AromaticContact CD1-CZ2 3.6Å; W186-W236 AromaticContact CD2-CH2 3.99Å; W186-W236 HydrophobicContact CD2-CH2 3.99Å; W186-W236 HydrophobicContact CD2-CZ2 4.19Å; W186-W236 HydrophobicContact CE3-CH2 4.42Å; W186-W236 AromaticContact CG-CH2 3.68Å; W186-W236 HydrophobicContact CG-CH2 3.68Å; W186-W236 AromaticContact CG-CZ2 3.52Å; W186-W236 HydrophobicContact CG-CZ2 3.52Å; W186-V241 HydrophobicContact CE3-CG1 4.23Å; W186-V241 HydrophobicContact CH2-CG1 3.86Å; W186-V241 HydrophobicContact CZ2-CG1 4.41Å; W186-V241 HydrophobicContact CZ3-CG1 3.77Å
187	K	93.7	Very high	96.5	Very high	111 Å²	111	47.5 Å²	47.5	48%	0.483	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-35.8	176.7	-79	168.3	168.1	153.3	0	113.1	E183 W185	E183-K187 PolarHBondContact O-N 3.37Å; E183-K187 WeakPolarHBondContact OE1-CE 3.48Å; E183-K187 IonicContact OE1-NZ 3.9Å; E183-K187 PolarHBondContact OE1-NZ 2.8Å; E183-K187 WeakPolarHBondContact OE2-CE 3.32Å; E183-K187 IonicContact OE2-NZ 3.91Å; E183-K187 PolarHBondContact OE2-NZ 2.88Å; W185-K187 PolarHBondContact O-N 3.44Å; W185-K187 VanDerWaalsContact O-N 3.09Å
188	D	92.3	Very high	96.4	Very high	92 Å²	92	50.2 Å²	50.2	49%	0.492	24%	0.236	S	C	.	.	H	α-helix	trans	-90.8	-16.3	-175	-64.6	-9.7	0	0	0	112.3	R184 W185 W186	R184-D188 IonicContact CZ-OD2 3.05Å; R184-D188 IonicContact NH1-OD1 3.82Å; R184-D188 PolarHBondContact NH1-OD1 3.45Å; R184-D188 IonicContact NH1-OD2 3.95Å; R184-D188 PolarHBondContact NH1-OD2 3.44Å; R184-D188 IonicContact NH2-OD2 2.63Å; R184-D188 PolarHBondContact NH2-OD2 2.71Å; R184-D188 VanDerWaalsContact NH2-OD2 3.16Å; W185-D188 PolarHBondContact O-N 3.39Å; W186-D188 VanDerWaalsContact C-N 3.26Å; W186-D188 PolarHBondContact O-N 3.05Å
189	M	93.9	Very high	96.4	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.049	26%	0.256	C	S	.	.			trans	-65.1	138.1	-179.9	-64.5	177.9	79.2	0	0	114	L163 W185 W186 E193 R194 L197	L163-M189 HydrophobicContact CD2-CE 3.91Å; W185-M189 HydrophobicContact CD2-CG 4.03Å; W185-M189 HydrophobicContact CD2-SD 3.8Å; W185-M189 HydrophobicContact CE3-CE 4.41Å; W185-M189 HydrophobicContact CE3-CG 4.36Å; W185-M189 HydrophobicContact CE3-SD 3.52Å; W185-M189 VanDerWaalsContact CE3-SD 3.52Å; W185-M189 HydrophobicContact CH2-CE 3.36Å; W185-M189 HydrophobicContact CH2-CG 4.48Å; W185-M189 HydrophobicContact CH2-SD 3.6Å; W185-M189 HydrophobicContact CZ2-CE 3.7Å; W185-M189 HydrophobicContact CZ2-CG 4.14Å; W185-M189 HydrophobicContact CZ2-SD 3.86Å; W185-M189 HydrophobicContact CZ3-CE 3.76Å; W185-M189 HydrophobicContact CZ3-SD 3.42Å; W185-M189 WeakPolarHBondContact CZ3-SD 3.17Å; W185-M189 PolarHBondContact O-N 3.35Å; W186-M189 HydrophobicContact CE3-SD 3.87Å; W186-M189 PolarHBondContact O-N 3.45Å; M189-E193 HydrophobicContact CB-CB 4.36Å; M189-E193 HydrophobicContact CE-CB 3.56Å; M189-E193 WeakPolarHBondContact CE-O 3.4Å; M189-R194 HydrophobicContact CB-CG 3.86Å; M189-R194 HydrophobicContact CE-CG 4.32Å; M189-R194 PolarHBondContact O-NE 3.07Å; M189-R194 PolarHBondContact O-NH2 3.49Å; M189-R194 HydrophobicContact SD-CG 4.31Å; M189-L197 HydrophobicContact CE-CB 4.17Å; M189-L197 HydrophobicContact CE-CD2 4.19Å; M189-L197 HydrophobicContact SD-CD2 4.19Å
190	G	94.6	Very high	96.4	Very high	35 Å²	35	55 Å²	55	36%	0.361	26%	0.257	S	S	.	.			trans	-74.8	166.4	168.4	0	0	0	0	0	113.5	K192 E193 R194	G190-K192 VanDerWaalsContact C-N 3.34Å; G190-K192 PolarHBondContact O-N 2.91Å; G190-E193 PolarHBondContact N-OE2 3.32Å; G190-E193 PolarHBondContact O-N 3.41Å; G190-R194 WeakPolarHBondContact O-CG 3.49Å; G190-R194 PolarHBondContact O-N 3.19Å; G190-R194 VanDerWaalsContact O-N 3.12Å
191	F	94.7	Very high	96.3	Very high	172 Å²	172	55.5 Å²	55.5	75%	0.754	26%	0.26	S	S	*	.	H	α-helix	trans	-56.5	-43	-177.2	-178.6	-92.1	0	0	0	113.6	R194 E195	F191-R194 PolarHBondContact O-N 3.12Å; F191-E195 PolarHBondContact O-N 2.79Å
192	K	95.6	Very high	96.3	Very high	154 Å²	154	63.8 Å²	63.8	67%	0.67	30%	0.299	S	S	*	.	H	α-helix	trans	-67	-39	-178.7	-174.8	-178.8	178.6	-173.9	0	112.4	G190 E195 N196	G190-K192 VanDerWaalsContact C-N 3.34Å; G190-K192 PolarHBondContact O-N 2.91Å; K192-E195 PolarHBondContact O-N 3.11Å; K192-N196 PolarHBondContact O-N 3.27Å
193	E	96.4	Very high	96.2	Very high	88 Å²	88	67.9 Å²	67.9	41%	0.411	32%	0.321	S	S	.	.	H	α-helix	trans	-66.6	-42.5	178.7	-67.5	162.8	160.4	0	0	110.3	L163 M189 G190 E195 N196 L197	L163-E193 HydrophobicContact CD2-CB 3.75Å; L163-E193 HydrophobicContact CD2-CG 4.09Å; M189-E193 HydrophobicContact CB-CB 4.36Å; M189-E193 HydrophobicContact CE-CB 3.56Å; M189-E193 WeakPolarHBondContact CE-O 3.4Å; G190-E193 PolarHBondContact N-OE2 3.32Å; G190-E193 PolarHBondContact O-N 3.41Å; E193-E195 VanDerWaalsContact C-N 3.34Å; E193-E195 PolarHBondContact O-N 2.83Å; E193-N196 PolarHBondContact O-N 2.57Å; E193-L197 PolarHBondContact O-N 3Å
194	R	96.6	Very high	96.3	Very high	81 Å²	81	68.3 Å²	68.3	31%	0.306	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-43.9	173.8	-68.5	179.9	178.7	163	6.4	111.6	W186 M189 G190 F191 N196 L197 L198	W186-R194 HydrophobicContact CD2-CG 4.29Å; W186-R194 HydrophobicContact CE3-CG 4.03Å; W186-R194 HydrophobicContact CH2-CB 3.78Å; W186-R194 HydrophobicContact CH2-CG 3.71Å; W186-R194 HydrophobicContact CZ2-CB 4.39Å; W186-R194 HydrophobicContact CZ2-CG 3.97Å; W186-R194 HydrophobicContact CZ3-CB 3.96Å; W186-R194 HydrophobicContact CZ3-CG 3.72Å; W186-R194 PolarHBondContact O-NE 3.41Å; W186-R194 PolarHBondContact O-NH2 3.4Å; M189-R194 HydrophobicContact CB-CG 3.86Å; M189-R194 HydrophobicContact CE-CG 4.32Å; M189-R194 PolarHBondContact O-NE 3.07Å; M189-R194 PolarHBondContact O-NH2 3.49Å; M189-R194 HydrophobicContact SD-CG 4.31Å; G190-R194 WeakPolarHBondContact O-CG 3.49Å; G190-R194 PolarHBondContact O-N 3.19Å; G190-R194 VanDerWaalsContact O-N 3.12Å; F191-R194 PolarHBondContact O-N 3.12Å; R194-N196 VanDerWaalsContact C-N 3.33Å; R194-N196 PolarHBondContact O-N 2.68Å; R194-L197 PolarHBondContact O-N 3.01Å; R194-L198 VanDerWaalsContact O-CG 3.28Å; R194-L198 WeakPolarHBondContact O-CG 3.28Å; R194-L198 PolarHBondContact O-N 3Å
195	E	96.5	Very high	96.4	Very high	83 Å²	83	65.7 Å²	65.7	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-42.4	176.5	-166.7	-166.7	152.2	0	0	112	F191 K192 E193 L198 K199	F191-E195 PolarHBondContact O-N 2.79Å; K192-E195 PolarHBondContact O-N 3.11Å; E193-E195 VanDerWaalsContact C-N 3.34Å; E193-E195 PolarHBondContact O-N 2.83Å; E195-L198 PolarHBondContact O-N 3.09Å; E195-K199 WeakPolarHBondContact O-CG 3.47Å; E195-K199 PolarHBondContact O-N 2.82Å; E195-K199 VanDerWaalsContact O-N 3.12Å; E195-K199 VanDerWaalsContact OE1-CE 3.26Å; E195-K199 WeakPolarHBondContact OE1-CE 3.33Å; E195-K199 IonicContact OE1-NZ 2.69Å; E195-K199 PolarHBondContact OE1-NZ 3.22Å
196	N	96.9	Very high	96.4	Very high	46 Å²	46	65.4 Å²	65.4	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-44.2	176.2	-73.2	-11.5	0	0	0	111.7	L163 K192 E193 R194 L198 K199 L200	L163-N196 HydrophobicContact CD1-CB 3.93Å; K192-N196 PolarHBondContact O-N 3.27Å; E193-N196 PolarHBondContact O-N 2.57Å; R194-N196 VanDerWaalsContact C-N 3.33Å; R194-N196 PolarHBondContact O-N 2.68Å; N196-L198 VanDerWaalsContact C-N 3.34Å; N196-L198 PolarHBondContact O-N 2.86Å; N196-K199 WeakPolarHBondContact O-CB 3.43Å; N196-K199 PolarHBondContact O-N 2.94Å; N196-K199 VanDerWaalsContact O-N 3.15Å; N196-L200 WeakPolarHBondContact O-CG 3.35Å; N196-L200 PolarHBondContact O-N 3.24Å
197	L	97.4	Very high	96.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.5	-46.2	177	-176.9	68.9	0	0	0	111.6	M162 L163 F182 W185 W186 M189 E193 R194 K199 L200 L201 L206	M162-L197 HydrophobicContact CE-CD1 4.3Å; L163-L197 HydrophobicContact CD1-CB 4.09Å; L163-L197 HydrophobicContact CD1-CD1 4.46Å; F182-L197 HydrophobicContact CE1-CD2 4.01Å; F182-L197 HydrophobicContact CE2-CD1 4.38Å; F182-L197 HydrophobicContact CE2-CD2 4.34Å; F182-L197 HydrophobicContact CZ-CD1 4.12Å; F182-L197 HydrophobicContact CZ-CD2 3.49Å; F182-L197 VanDerWaalsContact CZ-CD2 3.49Å; F182-L197 HydrophobicContact CZ-CG 4.21Å; W185-L197 HydrophobicContact CH2-CD1 4.22Å; W185-L197 HydrophobicContact CH2-CD2 4.47Å; W185-L197 HydrophobicContact CZ3-CD1 3.97Å; W185-L197 HydrophobicContact CZ3-CD2 3.81Å; W185-L197 HydrophobicContact CZ3-CG 4.45Å; W186-L197 HydrophobicContact CE3-CD2 3.68Å; W186-L197 HydrophobicContact CZ3-CD2 3.56Å; M189-L197 HydrophobicContact CE-CB 4.17Å; M189-L197 HydrophobicContact CE-CD2 4.19Å; M189-L197 HydrophobicContact SD-CD2 4.19Å; E193-L197 PolarHBondContact O-N 3Å; R194-L197 PolarHBondContact O-N 3.01Å; L197-K199 VanDerWaalsContact C-N 3.28Å; L197-K199 PolarHBondContact O-N 3.09Å; L197-L200 WeakPolarHBondContact O-CB 3.46Å; L197-L200 PolarHBondContact O-N 2.93Å; L197-L200 VanDerWaalsContact O-N 3.12Å; L197-L201 HydrophobicContact CG-CD1 4.46Å; L197-L201 PolarHBondContact O-N 2.97Å; L197-L206 HydrophobicContact CD1-CD2 3.53Å
198	L	97.3	Very high	96.8	Very high	65 Å²	65	59.4 Å²	59.4	34%	0.34	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-36.9	177.5	-66.4	175.2	0	0	0	111.9	R194 E195 N196 L201 Q202 V241	R194-L198 VanDerWaalsContact O-CG 3.28Å; R194-L198 WeakPolarHBondContact O-CG 3.28Å; R194-L198 PolarHBondContact O-N 3Å; E195-L198 PolarHBondContact O-N 3.09Å; N196-L198 VanDerWaalsContact C-N 3.34Å; N196-L198 PolarHBondContact O-N 2.86Å; L198-L201 PolarHBondContact O-N 2.87Å; L198-Q202 VanDerWaalsContact O-CB 3.31Å; L198-Q202 WeakPolarHBondContact O-CB 3.3Å; L198-Q202 PolarHBondContact O-N 2.77Å; L198-V241 HydrophobicContact CD2-CB 3.79Å; L198-V241 HydrophobicContact CD2-CG1 4.1Å
199	K	97.5	Very high	97.1	Very high	97 Å²	97	55.1 Å²	55.1	42%	0.422	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-41.2	173.6	-71.7	170.1	-174.5	163.9	0	112.3	E195 N196 L197 Q202 N203	E195-K199 WeakPolarHBondContact O-CG 3.47Å; E195-K199 PolarHBondContact O-N 2.82Å; E195-K199 VanDerWaalsContact O-N 3.12Å; E195-K199 VanDerWaalsContact OE1-CE 3.26Å; E195-K199 WeakPolarHBondContact OE1-CE 3.33Å; E195-K199 IonicContact OE1-NZ 2.69Å; E195-K199 PolarHBondContact OE1-NZ 3.22Å; N196-K199 WeakPolarHBondContact O-CB 3.43Å; N196-K199 PolarHBondContact O-N 2.94Å; N196-K199 VanDerWaalsContact O-N 3.15Å; L197-K199 VanDerWaalsContact C-N 3.28Å; L197-K199 PolarHBondContact O-N 3.09Å; K199-Q202 PolarHBondContact O-N 3.43Å; K199-N203 WeakPolarHBondContact O-CB 3.27Å; K199-N203 PolarHBondContact O-N 3.13Å; K199-N203 PolarHBondContact O-OD1 2.92Å
200	L	98.4	Very high	97.3	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-36	177.9	-65.4	178.2	0	0	0	112.7	L163 L166 N196 L197 N203 G204 Q205 L206	L163-L200 HydrophobicContact CD1-CD1 3.82Å; L166-L200 HydrophobicContact CB-CD1 3.7Å; L166-L200 HydrophobicContact CB-CD2 3.76Å; L166-L200 HydrophobicContact CB-CG 4.36Å; L166-L200 HydrophobicContact CD1-CD1 4.18Å; N196-L200 WeakPolarHBondContact O-CG 3.35Å; N196-L200 PolarHBondContact O-N 3.24Å; L197-L200 WeakPolarHBondContact O-CB 3.46Å; L197-L200 PolarHBondContact O-N 2.93Å; L197-L200 VanDerWaalsContact O-N 3.12Å; L200-N203 WeakPolarHBondContact CA-OD1 3.45Å; L200-N203 PolarHBondContact O-OD1 3.01Å; L200-G204 PolarHBondContact O-N 2.81Å; L200-Q205 HydrophobicContact CD2-CB 4.04Å; L200-Q205 HydrophobicContact CD2-CG 4.49Å; L200-Q205 VanDerWaalsContact CD2-OE1 3.31Å; L200-Q205 PolarHBondContact O-N 3.01Å; L200-L206 HydrophobicContact CB-CB 4.12Å; L200-L206 PolarHBondContact O-N 2.92Å
201	L	97.8	Very high	97.4	Very high	13 Å²	13	53.2 Å²	53.2	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-68.7	-45.6	172.5	-69.1	169.4	0	0	0	110.9	L197 L198 N203 G204 L206 I208 V241 F243	L197-L201 HydrophobicContact CG-CD1 4.46Å; L197-L201 PolarHBondContact O-N 2.97Å; L198-L201 PolarHBondContact O-N 2.87Å; L201-N203 PolarHBondContact O-N 3.38Å; L201-G204 PolarHBondContact O-N 2.94Å; L201-L206 HydrophobicContact CD2-CB 4.16Å; L201-L206 HydrophobicContact CD2-CD2 3.86Å; L201-L206 HydrophobicContact CD2-CG 3.83Å; L201-L206 HydrophobicContact CG-CD2 4.28Å; L201-I208 HydrophobicContact CD2-CD1 4.3Å; L201-I208 HydrophobicContact CD2-CG1 3.84Å; L201-V241 HydrophobicContact CD1-CB 4.28Å; L201-V241 HydrophobicContact CD1-CG2 4.49Å; L201-F243 HydrophobicContact CB-CD2 4.16Å; L201-F243 HydrophobicContact CB-CE2 4.47Å; L201-F243 HydrophobicContact CD2-CD2 4.05Å; L201-F243 HydrophobicContact CD2-CE2 4.11Å
202	Q	96.7	Very high	97.6	Very high	174 Å²	174	45.1 Å²	45.1	81%	0.813	22%	0.217	S	C	*	.	H	α-helix	trans	-65.2	-36.5	-177.7	-173.6	-179.6	11.8	0	0	113	L198 K199 G204	L198-Q202 VanDerWaalsContact O-CB 3.31Å; L198-Q202 WeakPolarHBondContact O-CB 3.3Å; L198-Q202 PolarHBondContact O-N 2.77Å; K199-Q202 PolarHBondContact O-N 3.43Å; Q202-G204 VanDerWaalsContact C-N 3.32Å
203	N	97.3	Very high	97.8	Very high	86 Å²	86	38.4 Å²	38.4	46%	0.46	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.2	179.1	75.2	7.8	0	0	0	113.5	K199 L200 L201 Q205	K199-N203 WeakPolarHBondContact O-CB 3.27Å; K199-N203 PolarHBondContact O-N 3.13Å; K199-N203 PolarHBondContact O-OD1 2.92Å; L200-N203 WeakPolarHBondContact CA-OD1 3.45Å; L200-N203 PolarHBondContact O-OD1 3.01Å; L201-N203 PolarHBondContact O-N 3.38Å; N203-Q205 VanDerWaalsContact C-N 3.31Å; N203-Q205 PolarHBondContact ND2-OE1 2.8Å; N203-Q205 PolarHBondContact O-N 3.45Å; N203-Q205 VanDerWaalsContact OD1-CB 3.29Å; N203-Q205 WeakPolarHBondContact OD1-CB 3.46Å; N203-Q205 VanDerWaalsContact OD1-CG 3.27Å; N203-Q205 WeakPolarHBondContact OD1-CG 3.37Å; N203-Q205 PolarHBondContact OD1-N 3.4Å
204	G	97.7	Very high	97.9	Very high	24 Å²	24	34.3 Å²	34.3	25%	0.247	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	19.2	178.2	0	0	0	0	0	114.7	K173 L200 L201 Q202	K173-G204 WeakPolarHBondContact CD-O 3.29Å; K173-G204 PolarHBondContact NZ-O 3.15Å; L200-G204 PolarHBondContact O-N 2.81Å; L201-G204 PolarHBondContact O-N 2.94Å; Q202-G204 VanDerWaalsContact C-N 3.32Å
205	Q	98.5	Very high	98	Very high	12 Å²	12	31 Å²	31	6%	0.056	16%	0.156	C	C	.	.	S	Bend	trans	-71.3	-34.9	168.7	-74.2	-174.2	-94	0	0	111.6	L166 T169 A172 K173 F174 L200 N203	L166-Q205 PolarHBondContact O-NE2 2.88Å; T169-Q205 PolarHBondContact O-NE2 3.03Å; A172-Q205 WeakPolarHBondContact O-CG 3.28Å; A172-Q205 PolarHBondContact O-NE2 2.9Å; K173-Q205 CarbonylContact C-O 3.52Å; K173-Q205 VanDerWaalsContact CA-O 3.24Å; K173-Q205 WeakPolarHBondContact CA-O 3.49Å; F174-Q205 PolarHBondContact N-O 3.47Å; L200-Q205 HydrophobicContact CD2-CB 4.04Å; L200-Q205 HydrophobicContact CD2-CG 4.49Å; L200-Q205 VanDerWaalsContact CD2-OE1 3.31Å; L200-Q205 PolarHBondContact O-N 3.01Å; N203-Q205 VanDerWaalsContact C-N 3.31Å; N203-Q205 PolarHBondContact ND2-OE1 2.8Å; N203-Q205 PolarHBondContact O-N 3.45Å; N203-Q205 VanDerWaalsContact OD1-CB 3.29Å; N203-Q205 WeakPolarHBondContact OD1-CB 3.46Å; N203-Q205 VanDerWaalsContact OD1-CG 3.27Å; N203-Q205 WeakPolarHBondContact OD1-CG 3.37Å; N203-Q205 PolarHBondContact OD1-N 3.4Å
206	L	98.7	Very high	98.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.4	171.2	178.9	62.1	0	0	0	108.9	M162 L166 F174 L197 L200 L201 I208	M162-L206 HydrophobicContact CE-CD2 3.99Å; M162-L206 HydrophobicContact SD-CD1 3.69Å; M162-L206 HydrophobicContact SD-CD2 4.24Å; L166-L206 HydrophobicContact CD1-CB 4.32Å; F174-L206 HydrophobicContact CB-CD1 4.29Å; F174-L206 HydrophobicContact CD1-CD1 4Å; F174-L206 WeakPolarHBondContact O-CA 3.31Å; L197-L206 HydrophobicContact CD1-CD2 3.53Å; L200-L206 HydrophobicContact CB-CB 4.12Å; L200-L206 PolarHBondContact O-N 2.92Å; L201-L206 HydrophobicContact CD2-CB 4.16Å; L201-L206 HydrophobicContact CD2-CD2 3.86Å; L201-L206 HydrophobicContact CD2-CG 3.83Å; L201-L206 HydrophobicContact CG-CD2 4.28Å; L206-I208 HydrophobicContact CD2-CD1 4.45Å; L206-I208 HydrophobicContact CG-CD1 4.42Å
207	E	98.7	Very high	98.2	Very high	11 Å²	11	25 Å²	25	5%	0.051	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.8	169.1	-176	-172.6	165.7	0	0	109.7	F174 I175 Y176 V209 F243 N247 T427 L428 E429	F174-E207 PolarHBondContact O-N 2.79Å; I175-E207 VanDerWaalsContact CA-O 3.28Å; I175-E207 WeakPolarHBondContact CA-O 3.45Å; I175-E207 HydrophobicContact CG2-CB 4.16Å; Y176-E207 PolarHBondContact N-O 2.78Å; E207-V209 HydrophobicContact CG-CG1 4.01Å; E207-F243 HydrophobicContact CG-CZ 4.49Å; E207-N247 PolarHBondContact OE1-ND2 3.41Å; E207-T427 HydrophobicContact CB-CG2 4.01Å; E207-T427 WeakPolarHBondContact OE2-CB 3.26Å; E207-T427 PolarHBondContact OE2-OG1 2.89Å; E207-L428 PolarHBondContact OE2-N 3.28Å; E207-E429 PolarHBondContact OE2-N 3.44Å
208	I	98.6	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.9	166.9	-54.9	-55.1	0	0	0	108.8	Y176 M179 F182 L201 L206 L237 F243	Y176-I208 HydrophobicContact CD1-CD1 4.5Å; Y176-I208 CarbonylContact O-C 3.53Å; Y176-I208 WeakPolarHBondContact O-CA 3.49Å; M179-I208 HydrophobicContact CE-CD1 4.25Å; M179-I208 HydrophobicContact CE-CG2 3.41Å; M179-I208 VanDerWaalsContact CE-CG2 3.41Å; M179-I208 HydrophobicContact SD-CG2 3.75Å; F182-I208 HydrophobicContact CD2-CD1 4.36Å; F182-I208 HydrophobicContact CE2-CD1 3.94Å; F182-I208 HydrophobicContact CZ-CD1 4.27Å; L201-I208 HydrophobicContact CD2-CD1 4.3Å; L201-I208 HydrophobicContact CD2-CG1 3.84Å; L206-I208 HydrophobicContact CD2-CD1 4.45Å; L206-I208 HydrophobicContact CG-CD1 4.42Å; I208-L237 HydrophobicContact CG1-CD2 4.32Å; I208-L237 HydrophobicContact CG2-CD1 3.89Å; I208-L237 HydrophobicContact CG2-CD2 4.34Å; I208-F243 HydrophobicContact CB-CD1 3.94Å; I208-F243 HydrophobicContact CB-CE1 3.67Å; I208-F243 HydrophobicContact CB-CZ 4.41Å; I208-F243 HydrophobicContact CG1-CD1 4.28Å; I208-F243 HydrophobicContact CG1-CE1 4.3Å; I208-F243 WeakPolarHBondContact O-CE1 3.42Å
209	V	98.7	Very high	98.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.113	C	C	.	.			trans	-104.2	139.4	-177.8	-63.5	0	0	0	0	109.9	I175 Y176 A177 E207 G211 N247 W249 L428	I175-V209 HydrophobicContact CB-CG1 3.93Å; I175-V209 HydrophobicContact CB-CG2 4.29Å; I175-V209 HydrophobicContact CD1-CG1 4.35Å; I175-V209 HydrophobicContact CD1-CG2 4.27Å; I175-V209 HydrophobicContact CG2-CG1 4.15Å; Y176-V209 WeakPolarHBondContact O-CG2 3.1Å; Y176-V209 PolarHBondContact O-N 3.41Å; A177-V209 WeakPolarHBondContact CA-O 3.47Å; A177-V209 HydrophobicContact CB-CG2 3.95Å; E207-V209 HydrophobicContact CG-CG1 4.01Å; V209-G211 PolarHBondContact O-N 3.34Å; V209-N247 CarbonylContact C-O 3.56Å; V209-W249 HydrophobicContact CB-CB 3.82Å; V209-W249 HydrophobicContact CG2-CB 3.47Å; V209-W249 VanDerWaalsContact CG2-CB 3.47Å; V209-W249 HydrophobicContact CG2-CG 3.89Å; V209-L428 HydrophobicContact CB-CD1 4.09Å; V209-L428 HydrophobicContact CG1-CB 4.36Å; V209-L428 HydrophobicContact CG1-CD1 3.55Å; V209-L428 HydrophobicContact CG1-CG 4.04Å
210	T	98.6	Very high	98.4	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.037	9%	0.093	C	C	.	.	S	Bend	trans	61.5	-55.9	-167.2	-51.9	0	0	0	0	113.8	A212 H234 N247 H248 W249 M260	T210-A212 VanDerWaalsContact C-N 3.27Å; T210-A212 HydrophobicContact CG2-CB 3.82Å; T210-A212 PolarHBondContact O-N 3.31Å; T210-H234 PolarHBondContact O-NE2 3.5Å; T210-N247 PolarHBondContact N-O 2.85Å; T210-H248 WeakPolarHBondContact CG2-ND1 3.46Å; T210-H248 PolarHBondContact OG1-ND1 3.32Å; T210-W249 PolarHBondContact OG1-N 3.39Å; T210-W249 PolarHBondContact OG1-O 2.88Å; T210-W249 VanDerWaalsContact OG1-O 3.09Å; T210-M260 HydrophobicContact CG2-CE 4.39Å
211	G	97.9	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.			trans	67.7	22.1	179.8	0	0	0	0	0	114.5	M179 V209 G233 H234	M179-G211 VanDerWaalsContact CG-C 3.48Å; M179-G211 VanDerWaalsContact CG-O 3.31Å; M179-G211 WeakPolarHBondContact CG-O 3.46Å; V209-G211 PolarHBondContact O-N 3.34Å; G211-G233 CarbonylContact O-C 3.49Å; G211-G233 VanDerWaalsContact O-CA 3.26Å; G211-G233 WeakPolarHBondContact O-CA 3.27Å; G211-H234 PolarHBondContact O-CD2 2.84Å; G211-H234 VanDerWaalsContact O-CD2 3.31Å; G211-H234 PolarHBondContact O-N 2.94Å
212	A	98.3	Very high	98.4	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	10%	0.097	C	C	.	.			trans	-85	166.4	175.7	0	0	0	0	0	111	M179 T210 V214 Q229 L230	M179-A212 VanDerWaalsContact CB-O 3.31Å; M179-A212 WeakPolarHBondContact CB-O 3.39Å; M179-A212 WeakPolarHBondContact CG-O 3.45Å; M179-A212 PolarHBondContact N-O 3.34Å; T210-A212 VanDerWaalsContact C-N 3.27Å; T210-A212 HydrophobicContact CG2-CB 3.82Å; T210-A212 PolarHBondContact O-N 3.31Å; A212-V214 PolarHBondContact O-N 2.98Å; A212-Q229 VanDerWaalsContact CB-OE1 3.24Å; A212-L230 HydrophobicContact CB-CD1 3.78Å
213	W	98.5	Very high	98.4	Very high	13 Å²	13	11.7 Å²	11.7	5%	0.049	6%	0.064	C	C	.	.	S	Bend	trans	-59.3	-36.9	-179.3	-161.5	-108.8	0	0	0	112.3	M179 S180 E183 Q229 E232 R510 A513	M179-W213 HydrophobicContact CB-CE3 4.45Å; M179-W213 PolarHBondContact N-O 2.95Å; S180-W213 WeakPolarHBondContact CB-O 3.32Å; S180-W213 PolarHBondContact N-O 3.43Å; S180-W213 PolarHBondContact OG-O 3.05Å; E183-W213 HydrophobicContact CB-CH2 3.85Å; E183-W213 HydrophobicContact CB-CZ3 4.01Å; E183-W213 HydrophobicContact CG-CH2 3.98Å; E183-W213 HydrophobicContact CG-CZ3 4.26Å; W213-Q229 HydrophobicContact CB-CB 4.21Å; W213-Q229 WeakPolarHBondContact CB-O 3.35Å; W213-Q229 PolarHBondContact N-O 2.97Å; W213-E232 HydrophobicContact CD2-CG 4.08Å; W213-E232 HydrophobicContact CE3-CB 4.46Å; W213-E232 HydrophobicContact CE3-CG 3.72Å; W213-E232 HydrophobicContact CZ3-CG 4.13Å; W213-R510 HydrophobicContact CH2-CG 4.09Å; W213-R510 HydrophobicContact CZ2-CB 4.05Å; W213-R510 HydrophobicContact CZ2-CG 3.76Å; W213-R510 PolarHBondContact NE1-O 3.49Å; W213-A513 HydrophobicContact CB-CB 3.91Å; W213-A513 VanDerWaalsContact CD1-CB 3.48Å; W213-A513 HydrophobicContact CG-CB 3.77Å
214	V	98.7	Very high	98.4	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.018	5%	0.045	C	C	.	.	S	Bend	trans	-143.3	162.3	176.7	-59.9	0	0	0	0	110.4	P141 A212 T216 Q229 A513 L514 Q516 H517	P141-V214 HydrophobicContact CB-CG1 4.16Å; P141-V214 HydrophobicContact CG-CB 4.47Å; P141-V214 HydrophobicContact CG-CG1 3.97Å; A212-V214 PolarHBondContact O-N 2.98Å; V214-T216 PolarHBondContact O-N 2.88Å; V214-Q229 PolarHBondContact O-OE1 3.39Å; V214-A513 WeakPolarHBondContact CG2-O 3.35Å; V214-L514 HydrophobicContact CG1-CD1 4.16Å; V214-Q516 HydrophobicContact CG2-CB 4.13Å; V214-H517 HydrophobicContact CB-CB 4.22Å; V214-H517 HydrophobicContact CG1-CB 4.24Å; V214-H517 HydrophobicContact CG2-CB 4.37Å
215	Q	98.7	Very high	98.4	Very high	10 Å²	10	7.1 Å²	7.1	5%	0.047	3%	0.033	C	C	.	.			trans	-74.9	103.1	160.1	-170.4	174	-98.3	0	0	108.2	H138 W249 I251 P253 H518	H138-Q215 PolarHBondContact CE1-NE2 3.27Å; Q215-W249 PolarHBondContact OE1-O 3.2Å; Q215-I251 VanDerWaalsContact OE1-N 3.11Å; Q215-P253 HydrophobicContact CG-CG 4.05Å; Q215-H518 PolarHBondContact O-N 2.85Å; Q215-H518 PolarHBondContact O-ND1 3.04Å
216	T	98.5	Very high	98.4	Very high	5 Å²	5	6.6 Å²	6.6	3%	0.031	3%	0.03	C	C	.	.	B	Isolated β-bridge	trans	-70.1	145.2	-169.1	-171.5	0	0	0	0	112.8	V214 E218 S221 M226 P253 M260 Q516	V214-T216 PolarHBondContact O-N 2.88Å; T216-E218 HydrophobicContact CG2-CG 4.39Å; T216-S221 PolarHBondContact OG1-OG 2.79Å; T216-M226 HydrophobicContact CG2-CE 4.36Å; T216-P253 WeakPolarHBondContact O-CG 3.29Å; T216-M260 HydrophobicContact CG2-CE 4.2Å; T216-M260 HydrophobicContact CG2-CG 4.43Å; T216-M260 HydrophobicContact CG2-SD 3.84Å; T216-Q516 CarbonylContact C-O 3.59Å; T216-Q516 VanDerWaalsContact CA-O 3.29Å; T216-Q516 WeakPolarHBondContact CA-O 3.37Å; T216-Q516 PolarHBondContact OG1-O 3.35Å
217	D	98.8	Very high	98.3	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.			trans	-58.4	140.2	156.6	175.3	29.9	0	0	0	109.3	A219 N220 S221 Q516 I521 T522	D217-A219 PolarHBondContact OD1-N 3.06Å; D217-N220 WeakPolarHBondContact OD2-CA 3.3Å; D217-N220 WeakPolarHBondContact OD2-CB 3.4Å; D217-N220 PolarHBondContact OD2-N 3.38Å; D217-N220 PolarHBondContact OD2-ND2 3.25Å; D217-S221 WeakPolarHBondContact O-CB 3.47Å; D217-S221 PolarHBondContact O-OG 3.13Å; D217-Q516 PolarHBondContact N-O 3.07Å; D217-I521 HydrophobicContact CB-CG2 3.54Å; D217-T522 HydrophobicContact CB-CG2 3.72Å; D217-T522 VanDerWaalsContact CG-CG2 3.45Å
218	E	98.7	Very high	98.2	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.019	3%	0.032	C	C	.	.	S	Bend	trans	-108	-4	-179	-63.2	-171.5	-147.5	0	0	112.6	T216 S250 P253 L256 S257 M260 F454 N666	T216-E218 HydrophobicContact CG2-CG 4.39Å; E218-S250 PolarHBondContact OE1-OG 2.95Å; E218-P253 HydrophobicContact CB-CB 4.49Å; E218-P253 HydrophobicContact CG-CB 4.08Å; E218-P253 HydrophobicContact CG-CG 4.39Å; E218-L256 VanDerWaalsContact OE1-CD2 3.26Å; E218-L256 WeakPolarHBondContact OE1-CD2 3.24Å; E218-L256 WeakPolarHBondContact OE2-CA 3.38Å; E218-S257 WeakPolarHBondContact O-CB 3.31Å; E218-S257 PolarHBondContact OE2-N 3.31Å; E218-M260 HydrophobicContact CG-CB 4.12Å; E218-M260 HydrophobicContact CG-CG 4.46Å; E218-F454 HydrophobicContact CB-CZ 4.3Å; E218-N666 PolarHBondContact O-ND2 2.82Å; E218-N666 PolarHBondContact O-OD1 3.3Å
219	A	98.8	Very high	98.2	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.008	3%	0.032	C	C	.	.	S	Bend	trans	-97.6	-54	178.5	0	0	0	0	0	113.7	D217 F454 Y467 F468 P687 P689	D217-A219 PolarHBondContact OD1-N 3.06Å; A219-F454 HydrophobicContact CB-CE1 3.79Å; A219-F454 HydrophobicContact CB-CE2 4.49Å; A219-F454 HydrophobicContact CB-CZ 3.72Å; A219-Y467 HydrophobicContact CB-CE2 3.76Å; A219-Y467 WeakPolarHBondContact CB-OH 3.4Å; A219-F468 HydrophobicContact CB-CD1 3.96Å; A219-F468 HydrophobicContact CB-CE1 3.74Å; A219-P687 HydrophobicContact CB-CB 3.93Å; A219-P687 HydrophobicContact CB-CG 4.21Å; A219-P689 WeakPolarHBondContact O-CG 3.43Å
220	N	98.7	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-93.1	-22.3	-172	-54	-83.5	0	0	0	112.9	D217 Y467 F468 K475 R479 I521 P708	D217-N220 WeakPolarHBondContact OD2-CA 3.3Å; D217-N220 WeakPolarHBondContact OD2-CB 3.4Å; D217-N220 PolarHBondContact OD2-N 3.38Å; D217-N220 PolarHBondContact OD2-ND2 3.25Å; N220-Y467 VanDerWaalsContact ND2-CD2 3.33Å; N220-Y467 WeakPolarHBondContact ND2-CD2 3.3Å; N220-Y467 VanDerWaalsContact ND2-CE2 3.29Å; N220-Y467 WeakPolarHBondContact ND2-CE2 3.3Å; N220-F468 WeakPolarHBondContact OD1-CA 3.4Å; N220-F468 PolarHBondContact OD1-O 3.11Å; N220-F468 VanDerWaalsContact OD1-O 3.12Å; N220-K475 WeakPolarHBondContact OD1-CE 3.4Å; N220-R479 PolarHBondContact O-NH1 3.31Å; N220-R479 PolarHBondContact O-NH2 3.39Å; N220-I521 HydrophobicContact CB-CD1 4.07Å; N220-I521 HydrophobicContact CB-CG1 4.01Å; N220-I521 HydrophobicContact CB-CG2 4.41Å; N220-P708 HydrophobicContact CB-CB 3.72Å; N220-P708 HydrophobicContact CB-CG 3.86Å
221	S	98.4	Very high	98.1	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.042	C	C	.	.			trans	-62.4	137.6	-178.2	-55.5	0	0	0	0	111.4	T216 D217 Q516 N666	T216-S221 PolarHBondContact OG1-OG 2.79Å; D217-S221 WeakPolarHBondContact O-CB 3.47Å; D217-S221 PolarHBondContact O-OG 3.13Å; S221-Q516 PolarHBondContact OG-OE1 2.65Å; S221-N666 VanDerWaalsContact O-CA 3.3Å; S221-N666 WeakPolarHBondContact O-CA 3.13Å; S221-N666 VanDerWaalsContact O-CB 3.26Å; S221-N666 WeakPolarHBondContact O-CB 3.35Å; S221-N666 PolarHBondContact O-ND2 2.61Å
222	H	98.4	Very high	98	Very high	39 Å²	39	9.6 Å²	9.6	18%	0.181	5%	0.045	C	C	.	.			trans	-86.1	147	172.6	-167.9	-97.1	0	0	0	109.7	F224 S225 M226 N666	H222-F224 WeakPolarHBondContact ND1-CB 3.42Å; H222-F224 PolarHBondContact ND1-N 2.84Å; H222-F224 PolarHBondContact O-N 2.85Å; H222-F224 VanDerWaalsContact O-N 3.12Å; H222-S225 PolarHBondContact O-N 2.66Å; H222-M226 WeakPolarHBondContact O-CG 3.42Å; H222-M226 PolarHBondContact O-N 2.92Å; H222-N666 CarbonylContact C-O 3.6Å
223	Y	97.6	Very high	98	Very high	29 Å²	29	9.5 Å²	9.5	11%	0.114	5%	0.045	C	C	.	.	H	α-helix	trans	-53.8	-39.2	-177.3	77.6	-96.9	0	0	0	112.7	I27 S225 M226 I227 N666 G667 F668	I27-Y223 HydrophobicContact CG2-CD2 4.45Å; I27-Y223 HydrophobicContact CG2-CE2 4.25Å; Y223-S225 VanDerWaalsContact C-N 3.34Å; Y223-S225 PolarHBondContact O-N 3.15Å; Y223-M226 PolarHBondContact O-N 2.82Å; Y223-I227 HydrophobicContact CD2-CD1 4.08Å; Y223-I227 WeakPolarHBondContact O-CB 3.32Å; Y223-I227 VanDerWaalsContact O-CG1 3.31Å; Y223-I227 WeakPolarHBondContact O-CG1 3.31Å; Y223-I227 PolarHBondContact O-N 2.83Å; Y223-N666 PolarHBondContact N-O 3.03Å; Y223-G667 VanDerWaalsContact CD1-O 3.27Å; Y223-G667 WeakPolarHBondContact CD1-O 3.35Å; Y223-G667 WeakPolarHBondContact CE1-O 3.31Å; Y223-F668 HydrophobicContact CD1-CB 4.5Å; Y223-F668 HydrophobicContact CG-CB 4.5Å
224	F	96.7	Very high	98	Very high	14 Å²	14	10.4 Å²	10.4	6%	0.061	5%	0.05	C	C	.	.	H	α-helix	trans	-53.9	-50.6	175.3	175.9	-92.6	0	0	0	111.5	Y24 H222 I227 D228 A482 V485 R486 L512	Y24-F224 HydrophobicContact CE1-CD2 4.49Å; H222-F224 WeakPolarHBondContact ND1-CB 3.42Å; H222-F224 PolarHBondContact ND1-N 2.84Å; H222-F224 PolarHBondContact O-N 2.85Å; H222-F224 VanDerWaalsContact O-N 3.12Å; F224-I227 PolarHBondContact O-N 3.45Å; F224-D228 WeakPolarHBondContact O-CB 3.45Å; F224-D228 PolarHBondContact O-N 3.16Å; F224-A482 HydrophobicContact CD1-CB 3.9Å; F224-A482 HydrophobicContact CE1-CB 4.27Å; F224-A482 WeakPolarHBondContact CE1-O 3.36Å; F224-V485 HydrophobicContact CE1-CG1 4.36Å; F224-V485 HydrophobicContact CZ-CG1 4.29Å; F224-R486 HydrophobicContact CE1-CB 4.4Å; F224-R486 HydrophobicContact CE2-CB 3.76Å; F224-R486 HydrophobicContact CE2-CG 4.05Å; F224-R486 HydrophobicContact CZ-CB 3.67Å; F224-R486 HydrophobicContact CZ-CG 4.45Å; F224-L512 HydrophobicContact CE1-CD2 4.05Å
225	S	97.4	Very high	97.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-72.8	-33	-177.6	-49.6	0	0	0	0	112	H222 Y223 Q229 E478 Q516	H222-S225 PolarHBondContact O-N 2.66Å; Y223-S225 VanDerWaalsContact C-N 3.34Å; Y223-S225 PolarHBondContact O-N 3.15Å; S225-Q229 WeakPolarHBondContact O-CB 3.35Å; S225-Q229 VanDerWaalsContact O-CG 3.26Å; S225-Q229 WeakPolarHBondContact O-CG 3.49Å; S225-Q229 PolarHBondContact O-N 3.41Å; S225-E478 WeakPolarHBondContact CB-OE1 3.19Å; S225-E478 PolarHBondContact OG-OE1 3.43Å; S225-Q516 VanDerWaalsContact CB-OE1 3.24Å
226	M	98.3	Very high	97.8	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-62.8	-42.1	173.1	-65.7	174.9	74.1	0	0	112	T216 H222 Y223 Q229 L230 T259 M260 F263 N666	T216-M226 HydrophobicContact CG2-CE 4.36Å; H222-M226 WeakPolarHBondContact O-CG 3.42Å; H222-M226 PolarHBondContact O-N 2.92Å; Y223-M226 PolarHBondContact O-N 2.82Å; M226-Q229 WeakPolarHBondContact O-CG 3.44Å; M226-Q229 PolarHBondContact O-NE2 2.8Å; M226-L230 WeakPolarHBondContact O-CB 3.31Å; M226-L230 PolarHBondContact O-N 3.35Å; M226-T259 HydrophobicContact CE-CG2 4.28Å; M226-T259 HydrophobicContact SD-CG2 4.21Å; M226-M260 HydrophobicContact CE-CB 3.76Å; M226-M260 HydrophobicContact CE-CG 4.28Å; M226-M260 HydrophobicContact CE-SD 3.78Å; M226-F263 HydrophobicContact CB-CD2 4.33Å; M226-F263 HydrophobicContact CB-CE2 4.47Å; M226-N666 HydrophobicContact SD-CB 3.64Å; M226-N666 VanDerWaalsContact SD-CG 3.53Å
227	I	97.9	Very high	97.8	Very high	10 Å²	10	13.8 Å²	13.8	5%	0.051	7%	0.065	C	C	.	.	H	α-helix	trans	-71.4	-45.8	176.7	-67.1	168.8	0	0	0	110.4	I27 Y223 F224 Q229 L230 I231 F263	I27-I227 HydrophobicContact CD1-CD1 3.73Å; Y223-I227 HydrophobicContact CD2-CD1 4.08Å; Y223-I227 WeakPolarHBondContact O-CB 3.32Å; Y223-I227 VanDerWaalsContact O-CG1 3.31Å; Y223-I227 WeakPolarHBondContact O-CG1 3.31Å; Y223-I227 PolarHBondContact O-N 2.83Å; F224-I227 PolarHBondContact O-N 3.45Å; I227-Q229 VanDerWaalsContact C-N 3.34Å; I227-Q229 PolarHBondContact O-N 2.92Å; I227-L230 WeakPolarHBondContact O-CB 3.4Å; I227-L230 PolarHBondContact O-N 3.04Å; I227-L230 VanDerWaalsContact O-N 3.16Å; I227-I231 HydrophobicContact CG2-CD1 3.58Å; I227-I231 HydrophobicContact CG2-CG1 4.15Å; I227-I231 WeakPolarHBondContact O-CG1 3.38Å; I227-I231 PolarHBondContact O-N 3.09Å; I227-F263 HydrophobicContact CD1-CD1 4.39Å; I227-F263 HydrophobicContact CD1-CD2 4.41Å; I227-F263 HydrophobicContact CD1-CE1 4.11Å; I227-F263 HydrophobicContact CD1-CE2 4.11Å; I227-F263 HydrophobicContact CD1-CZ 3.98Å; I227-F263 HydrophobicContact CG1-CD1 4.42Å; I227-F263 HydrophobicContact CG1-CD2 3.85Å; I227-F263 HydrophobicContact CG1-CE2 3.95Å; I227-F263 HydrophobicContact CG1-CG 4.12Å; I227-F263 HydrophobicContact CG1-CZ 4.31Å
228	D	96.2	Very high	97.6	Very high	7 Å²	7	20 Å²	20	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-59.5	-44.1	-177.8	-165.4	70.1	0	0	0	111.5	F224 L230 I231 E232	F224-D228 WeakPolarHBondContact O-CB 3.45Å; F224-D228 PolarHBondContact O-N 3.16Å; D228-L230 PolarHBondContact O-N 2.78Å; D228-I231 PolarHBondContact O-N 3.32Å; D228-E232 PolarHBondContact O-N 2.93Å
229	Q	97.5	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.2	-31	177.7	75.6	78	34.8	0	0	113.3	A212 W213 V214 S225 M226 I227 G233 A513 Q516	A212-Q229 VanDerWaalsContact CB-OE1 3.24Å; W213-Q229 HydrophobicContact CB-CB 4.21Å; W213-Q229 WeakPolarHBondContact CB-O 3.35Å; W213-Q229 PolarHBondContact N-O 2.97Å; V214-Q229 PolarHBondContact O-OE1 3.39Å; S225-Q229 WeakPolarHBondContact O-CB 3.35Å; S225-Q229 VanDerWaalsContact O-CG 3.26Å; S225-Q229 WeakPolarHBondContact O-CG 3.49Å; S225-Q229 PolarHBondContact O-N 3.41Å; M226-Q229 WeakPolarHBondContact O-CG 3.44Å; M226-Q229 PolarHBondContact O-NE2 2.8Å; I227-Q229 VanDerWaalsContact C-N 3.34Å; I227-Q229 PolarHBondContact O-N 2.92Å; Q229-G233 PolarHBondContact O-N 2.79Å; Q229-A513 HydrophobicContact CB-CB 3.46Å; Q229-A513 VanDerWaalsContact CB-CB 3.46Å; Q229-Q516 HydrophobicContact CB-CG 4.48Å; Q229-Q516 HydrophobicContact CG-CB 4.31Å; Q229-Q516 HydrophobicContact CG-CG 4.27Å
230	L	97.9	Very high	97.2	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.052	14%	0.136	C	C	.	.	H	α-helix	trans	-68.1	-45.7	173.7	-177.3	63.7	0	0	0	110.5	A212 M226 I227 D228 G233 H234 A267	A212-L230 HydrophobicContact CB-CD1 3.78Å; M226-L230 WeakPolarHBondContact O-CB 3.31Å; M226-L230 PolarHBondContact O-N 3.35Å; I227-L230 WeakPolarHBondContact O-CB 3.4Å; I227-L230 PolarHBondContact O-N 3.04Å; I227-L230 VanDerWaalsContact O-N 3.16Å; D228-L230 PolarHBondContact O-N 2.78Å; L230-G233 PolarHBondContact O-N 2.9Å; L230-H234 WeakPolarHBondContact CD1-NE2 3.26Å; L230-H234 WeakPolarHBondContact O-CB 3.23Å; L230-H234 PolarHBondContact O-CD2 3.43Å; L230-H234 PolarHBondContact O-N 3.45Å; L230-A267 HydrophobicContact CD2-CB 3.97Å
231	I	97.1	Very high	97	Very high	41 Å²	41	30.4 Å²	30.4	21%	0.21	14%	0.142	C	C	.	.	H	α-helix	trans	-60.2	-46.5	176.1	-70.7	173.3	0	0	0	110.8	I227 D228 G233 H234 Q235	I227-I231 HydrophobicContact CG2-CD1 3.58Å; I227-I231 HydrophobicContact CG2-CG1 4.15Å; I227-I231 WeakPolarHBondContact O-CG1 3.38Å; I227-I231 PolarHBondContact O-N 3.09Å; D228-I231 PolarHBondContact O-N 3.32Å; I231-G233 VanDerWaalsContact C-N 3.33Å; I231-G233 PolarHBondContact O-N 3.37Å; I231-H234 PolarHBondContact O-N 2.96Å; I231-Q235 HydrophobicContact CG2-CG 3.89Å; I231-Q235 VanDerWaalsContact O-CB 3.26Å; I231-Q235 WeakPolarHBondContact O-CB 3.48Å; I231-Q235 WeakPolarHBondContact O-CG 3.25Å; I231-Q235 PolarHBondContact O-N 2.94Å
232	E	97.2	Very high	96.8	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-44	-178	-173.6	69.7	-150	0	0	111.3	W213 D228 W236 R509 R510	W213-E232 HydrophobicContact CD2-CG 4.08Å; W213-E232 HydrophobicContact CE3-CB 4.46Å; W213-E232 HydrophobicContact CE3-CG 3.72Å; W213-E232 HydrophobicContact CZ3-CG 4.13Å; D228-E232 PolarHBondContact O-N 2.93Å; E232-W236 VanDerWaalsContact O-CB 3.31Å; E232-W236 WeakPolarHBondContact O-CB 3.33Å; E232-W236 PolarHBondContact O-N 3.33Å; E232-W236 VanDerWaalsContact O-N 3.14Å; E232-R509 IonicContact OE2-NE 3.85Å; E232-R509 PolarHBondContact OE2-NE 2.73Å; E232-R510 HydrophobicContact CG-CG 3.93Å; E232-R510 WeakPolarHBondContact OE1-CG 3.37Å; E232-R510 IonicContact OE1-CZ 2.8Å; E232-R510 IonicContact OE1-NE 3.54Å; E232-R510 PolarHBondContact OE1-NE 3.11Å; E232-R510 IonicContact OE1-NH2 3.4Å
233	G	98	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-49	175.4	0	0	0	0	0	113.4	G211 Q229 L230 I231 W236 L237	G211-G233 CarbonylContact O-C 3.49Å; G211-G233 VanDerWaalsContact O-CA 3.26Å; G211-G233 WeakPolarHBondContact O-CA 3.27Å; Q229-G233 PolarHBondContact O-N 2.79Å; L230-G233 PolarHBondContact O-N 2.9Å; I231-G233 VanDerWaalsContact C-N 3.33Å; I231-G233 PolarHBondContact O-N 3.37Å; G233-W236 PolarHBondContact O-N 3.22Å; G233-L237 WeakPolarHBondContact O-CG 3.35Å; G233-L237 PolarHBondContact O-N 3.04Å
234	H	98.1	Very high	96.6	Very high	32 Å²	32	36 Å²	36	15%	0.148	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-43.8	-178.7	-82.6	-137.4	0	0	0	112.5	T210 G211 L230 I231 W236 L237 Y238	T210-H234 PolarHBondContact O-NE2 3.5Å; G211-H234 PolarHBondContact O-CD2 2.84Å; G211-H234 VanDerWaalsContact O-CD2 3.31Å; G211-H234 PolarHBondContact O-N 2.94Å; L230-H234 WeakPolarHBondContact CD1-NE2 3.26Å; L230-H234 WeakPolarHBondContact O-CB 3.23Å; L230-H234 PolarHBondContact O-CD2 3.43Å; L230-H234 PolarHBondContact O-N 3.45Å; I231-H234 PolarHBondContact O-N 2.96Å; H234-W236 VanDerWaalsContact C-N 3.33Å; H234-L237 PolarHBondContact O-N 2.86Å; H234-Y238 WeakPolarHBondContact O-CB 3.35Å; H234-Y238 PolarHBondContact O-N 3.15Å
235	Q	96.3	Very high	96.7	Very high	80 Å²	80	35.5 Å²	35.5	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-65.4	-39.2	176.8	-74.4	-172.3	-3.8	0	0	111.4	I231 N239	I231-Q235 HydrophobicContact CG2-CG 3.89Å; I231-Q235 VanDerWaalsContact O-CB 3.26Å; I231-Q235 WeakPolarHBondContact O-CB 3.48Å; I231-Q235 WeakPolarHBondContact O-CG 3.25Å; I231-Q235 PolarHBondContact O-N 2.94Å; Q235-N239 VanDerWaalsContact O-CB 3.25Å; Q235-N239 WeakPolarHBondContact O-CB 3.36Å; Q235-N239 PolarHBondContact O-N 2.85Å; Q235-N239 PolarHBondContact O-ND2 3.29Å
236	W	97.4	Very high	96.6	Very high	9 Å²	9	40.3 Å²	40.3	3%	0.034	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-47.5	176.2	-173.4	88.6	0	0	0	111	F182 E183 W186 E232 G233 H234 N239 H240 V241	F182-W236 AromaticContact CD1-CH2 3.59Å; F182-W236 HydrophobicContact CD1-CH2 3.59Å; F182-W236 AromaticContact CD1-CZ3 3.41Å; F182-W236 HydrophobicContact CD1-CZ3 3.41Å; F182-W236 VanDerWaalsContact CD1-CZ3 3.41Å; F182-W236 AromaticContact CE1-CH2 3.86Å; F182-W236 HydrophobicContact CE1-CH2 3.86Å; F182-W236 AromaticContact CE1-CZ3 3.71Å; F182-W236 HydrophobicContact CE1-CZ3 3.71Å; E183-W236 HydrophobicContact CB-CD2 4.28Å; E183-W236 HydrophobicContact CB-CZ2 4.17Å; E183-W236 HydrophobicContact CG-CD2 4.12Å; E183-W236 VanDerWaalsContact CG-CE2 3.49Å; E183-W236 HydrophobicContact CG-CG 4.18Å; E183-W236 HydrophobicContact CG-CZ2 3.98Å; W186-W236 HydrophobicContact CB-CH2 3.7Å; W186-W236 HydrophobicContact CB-CZ2 3.64Å; W186-W236 AromaticContact CD1-CZ2 3.6Å; W186-W236 AromaticContact CD2-CH2 3.99Å; W186-W236 HydrophobicContact CD2-CH2 3.99Å; W186-W236 HydrophobicContact CD2-CZ2 4.19Å; W186-W236 HydrophobicContact CE3-CH2 4.42Å; W186-W236 AromaticContact CG-CH2 3.68Å; W186-W236 HydrophobicContact CG-CH2 3.68Å; W186-W236 AromaticContact CG-CZ2 3.52Å; W186-W236 HydrophobicContact CG-CZ2 3.52Å; E232-W236 VanDerWaalsContact O-CB 3.31Å; E232-W236 WeakPolarHBondContact O-CB 3.33Å; E232-W236 PolarHBondContact O-N 3.33Å; E232-W236 VanDerWaalsContact O-N 3.14Å; G233-W236 PolarHBondContact O-N 3.22Å; H234-W236 VanDerWaalsContact C-N 3.33Å; W236-N239 PolarHBondContact O-N 3.34Å; W236-H240 AromaticContact CD1-CE1 3.57Å; W236-H240 AromaticContact CD1-ND1 3.51Å; W236-H240 AromaticContact CE2-CG 3.96Å; W236-H240 AromaticContact CE2-ND1 3.87Å; W236-H240 AromaticContact CG-ND1 3.83Å; W236-H240 HydrophobicContact CH2-CB 4.45Å; W236-H240 HydrophobicContact CZ2-CB 4.19Å; W236-H240 AromaticContact NE1-CE1 3.63Å; W236-H240 AromaticContact NE1-CG 3.86Å; W236-H240 AromaticContact NE1-ND1 3.51Å; W236-H240 WeakPolarHBondContact O-CB 3.41Å; W236-H240 PolarHBondContact O-N 2.86Å; W236-H240 PolarHBondContact O-ND1 3.25Å; W236-V241 HydrophobicContact CH2-CG1 4.41Å; W236-V241 HydrophobicContact CZ3-CG1 4.3Å
237	L	97.5	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-51.5	177.5	-77.9	169.2	0	0	0	111.9	M179 I208 G233 H234 N239 H240 V241 G242 P245	M179-L237 HydrophobicContact CG-CD1 4.09Å; M179-L237 HydrophobicContact CG-CG 4.3Å; M179-L237 HydrophobicContact SD-CD1 3.81Å; M179-L237 HydrophobicContact SD-CD2 3.66Å; M179-L237 HydrophobicContact SD-CG 3.82Å; I208-L237 HydrophobicContact CG1-CD2 4.32Å; I208-L237 HydrophobicContact CG2-CD1 3.89Å; I208-L237 HydrophobicContact CG2-CD2 4.34Å; G233-L237 WeakPolarHBondContact O-CG 3.35Å; G233-L237 PolarHBondContact O-N 3.04Å; H234-L237 PolarHBondContact O-N 2.86Å; L237-N239 VanDerWaalsContact C-N 3.35Å; L237-N239 PolarHBondContact O-N 3.01Å; L237-H240 PolarHBondContact O-N 3.05Å; L237-V241 HydrophobicContact CB-CG2 4.17Å; L237-V241 HydrophobicContact CD2-CG2 3.58Å; L237-V241 CarbonylContact O-C 3.18Å; L237-V241 WeakPolarHBondContact O-CG2 3.38Å; L237-V241 PolarHBondContact O-N 3Å; L237-G242 PolarHBondContact O-N 3.01Å; L237-P245 HydrophobicContact CD1-CG 3.79Å
238	Y	96.2	Very high	96.7	Very high	131 Å²	131	40.1 Å²	40.1	51%	0.514	21%	0.208	S	C	.	.	H	α-helix	trans	-59.1	-46.1	-179.4	-177.1	-98.7	0	0	0	111.9	F16 H234 G242 V244	F16-Y238 HydrophobicContact CZ-CE1 4.42Å; H234-Y238 WeakPolarHBondContact O-CB 3.35Å; H234-Y238 PolarHBondContact O-N 3.15Å; Y238-G242 WeakPolarHBondContact O-CA 3.34Å; Y238-G242 PolarHBondContact O-N 2.93Å; Y238-V244 HydrophobicContact CD2-CG2 4.38Å
239	N	95.7	Very high	96.8	Very high	109 Å²	109	40.1 Å²	40.1	58%	0.583	21%	0.207	S	C	*	.	H	α-helix	trans	-75.6	-27.9	-173.8	-70.2	-37.9	0	0	0	114.2	Q235 W236 L237	Q235-N239 VanDerWaalsContact O-CB 3.25Å; Q235-N239 WeakPolarHBondContact O-CB 3.36Å; Q235-N239 PolarHBondContact O-N 2.85Å; Q235-N239 PolarHBondContact O-ND2 3.29Å; W236-N239 PolarHBondContact O-N 3.34Å; L237-N239 VanDerWaalsContact C-N 3.35Å; L237-N239 PolarHBondContact O-N 3.01Å
240	H	93.6	Very high	96.9	Very high	94 Å²	94	40.1 Å²	40.1	44%	0.435	21%	0.208	S	C	.	.	H	α-helix	trans	-109.7	-33.2	-173	-61.1	83.1	0	0	0	114	W236 L237	W236-H240 AromaticContact CD1-CE1 3.57Å; W236-H240 AromaticContact CD1-ND1 3.51Å; W236-H240 AromaticContact CE2-CG 3.96Å; W236-H240 AromaticContact CE2-ND1 3.87Å; W236-H240 AromaticContact CG-ND1 3.83Å; W236-H240 HydrophobicContact CH2-CB 4.45Å; W236-H240 HydrophobicContact CZ2-CB 4.19Å; W236-H240 AromaticContact NE1-CE1 3.63Å; W236-H240 AromaticContact NE1-CG 3.86Å; W236-H240 AromaticContact NE1-ND1 3.51Å; W236-H240 WeakPolarHBondContact O-CB 3.41Å; W236-H240 PolarHBondContact O-N 2.86Å; W236-H240 PolarHBondContact O-ND1 3.25Å; L237-H240 PolarHBondContact O-N 3.05Å
241	V	93.2	Very high	96.9	Very high	19 Å²	19	39.7 Å²	39.7	12%	0.115	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-12.5	-177.4	-57.5	0	0	0	0	113.7	W186 L198 L201 W236 L237 F243	W186-V241 HydrophobicContact CE3-CG1 4.23Å; W186-V241 HydrophobicContact CH2-CG1 3.86Å; W186-V241 HydrophobicContact CZ2-CG1 4.41Å; W186-V241 HydrophobicContact CZ3-CG1 3.77Å; L198-V241 HydrophobicContact CD2-CB 3.79Å; L198-V241 HydrophobicContact CD2-CG1 4.1Å; L201-V241 HydrophobicContact CD1-CB 4.28Å; L201-V241 HydrophobicContact CD1-CG2 4.49Å; W236-V241 HydrophobicContact CH2-CG1 4.41Å; W236-V241 HydrophobicContact CZ3-CG1 4.3Å; L237-V241 HydrophobicContact CB-CG2 4.17Å; L237-V241 HydrophobicContact CD2-CG2 3.58Å; L237-V241 CarbonylContact O-C 3.18Å; L237-V241 WeakPolarHBondContact O-CG2 3.38Å; L237-V241 PolarHBondContact O-N 3Å; V241-F243 VanDerWaalsContact C-N 3.25Å; V241-F243 HydrophobicContact CG2-CB 3.7Å; V241-F243 PolarHBondContact O-N 3.38Å
242	G	95	Very high	97	Very high	59 Å²	59	38.1 Å²	38.1	61%	0.608	20%	0.197	S	C	*	.			trans	67.3	25.3	-179.7	0	0	0	0	0	113.6	L237 Y238	L237-G242 PolarHBondContact O-N 3.01Å; Y238-G242 WeakPolarHBondContact O-CA 3.34Å; Y238-G242 PolarHBondContact O-N 2.93Å
243	F	95.6	Very high	97	Very high	40 Å²	40	37.5 Å²	37.5	18%	0.175	20%	0.195	C	C	.	.			trans	-103.2	142.6	-178.1	-168.1	-89.8	0	0	0	110.8	L201 E207 I208 V241 P245	L201-F243 HydrophobicContact CB-CD2 4.16Å; L201-F243 HydrophobicContact CB-CE2 4.47Å; L201-F243 HydrophobicContact CD2-CD2 4.05Å; L201-F243 HydrophobicContact CD2-CE2 4.11Å; E207-F243 HydrophobicContact CG-CZ 4.49Å; I208-F243 HydrophobicContact CB-CD1 3.94Å; I208-F243 HydrophobicContact CB-CE1 3.67Å; I208-F243 HydrophobicContact CB-CZ 4.41Å; I208-F243 HydrophobicContact CG1-CD1 4.28Å; I208-F243 HydrophobicContact CG1-CE1 4.3Å; I208-F243 WeakPolarHBondContact O-CE1 3.42Å; V241-F243 VanDerWaalsContact C-N 3.25Å; V241-F243 HydrophobicContact CG2-CB 3.7Å; V241-F243 PolarHBondContact O-N 3.38Å; F243-P245 HydrophobicContact CD1-CG 4.5Å
244	V	96.7	Very high	97.1	Very high	87 Å²	87	38 Å²	38	53%	0.527	20%	0.197	S	C	.	.			trans	-125.1	114.9	175	-179.2	0	0	0	0	107.9	Y238	Y238-V244 HydrophobicContact CD2-CG2 4.38Å
245	P	97.1	Very high	97.1	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.019	19%	0.19	C	C	.	.			trans	-58.8	142.9	177.6	-22.5	32.3	0	0	0	112.4	L237 F243 I269	L237-P245 HydrophobicContact CD1-CG 3.79Å; F243-P245 HydrophobicContact CD1-CG 4.5Å; P245-I269 HydrophobicContact CB-CD1 4.12Å
246	K	96.6	Very high	97.2	Very high	102 Å²	102	32.8 Å²	32.8	44%	0.443	17%	0.172	S	C	.	.			trans	-114	-24	-179.2	-65.5	-175.1	-177.3	-173.9	0	114.4	I269 E429	K246-I269 WeakPolarHBondContact O-CG2 3.47Å; K246-E429 WeakPolarHBondContact CD-OE1 3.49Å; K246-E429 WeakPolarHBondContact CD-OE2 3.13Å; K246-E429 IonicContact NZ-OE1 2.76Å; K246-E429 PolarHBondContact NZ-OE1 3.14Å
247	N	98.6	Very high	97.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.4	-173	-56.6	-63.7	0	0	0	109.3	E207 V209 T210 N271 L428 E429 F432	E207-N247 PolarHBondContact OE1-ND2 3.41Å; V209-N247 CarbonylContact C-O 3.56Å; T210-N247 PolarHBondContact N-O 2.85Å; N247-N271 CarbonylContact C-O 3.57Å; N247-N271 WeakPolarHBondContact CA-O 3.2Å; N247-N271 WeakPolarHBondContact OD1-CB 3.47Å; N247-N271 PolarHBondContact OD1-ND2 3.28Å; N247-L428 HydrophobicContact CB-CB 3.8Å; N247-L428 HydrophobicContact CB-CD1 3.99Å; N247-E429 WeakPolarHBondContact ND2-CA 3.3Å; N247-E429 PolarHBondContact ND2-N 3.48Å; N247-E429 PolarHBondContact ND2-OE2 3.18Å; N247-E429 VanDerWaalsContact ND2-OE2 3.17Å; N247-F432 HydrophobicContact CB-CD2 4.35Å; N247-F432 HydrophobicContact CB-CE2 4.4Å; N247-F432 WeakPolarHBondContact OD1-CD2 3.45Å
248	H	98.6	Very high	97.2	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.028	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.5	177.8	178.6	55.2	0	0	0	110	T210 S250 V264 I269 N271 L272 A273	T210-H248 WeakPolarHBondContact CG2-ND1 3.46Å; T210-H248 PolarHBondContact OG1-ND1 3.32Å; H248-S250 WeakPolarHBondContact NE2-CB 3.18Å; H248-V264 HydrophobicContact CB-CG2 4.23Å; H248-I269 HydrophobicContact CB-CG2 3.69Å; H248-I269 VanDerWaalsContact N-CG2 3.32Å; H248-N271 PolarHBondContact N-O 2.91Å; H248-L272 HydrophobicContact CB-CB 4.37Å; H248-L272 HydrophobicContact CB-CD1 4.28Å; H248-L272 HydrophobicContact CB-CG 3.88Å; H248-L272 CarbonylContact O-C 3.55Å; H248-A273 PolarHBondContact O-N 2.98Å
249	W	98.8	Very high	97.2	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.027	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.3	178.2	-178.2	-99.1	0	0	0	108.4	H136 I175 V209 T210 Q215 I251 A273 F313 P386 L428	H136-W249 HydrophobicContact CB-CZ2 4.49Å; H136-W249 AromaticContact CG-CZ2 3.97Å; I175-W249 HydrophobicContact CD1-CD2 3.92Å; I175-W249 HydrophobicContact CD1-CE3 3.89Å; I175-W249 HydrophobicContact CD1-CH2 4.11Å; I175-W249 HydrophobicContact CD1-CZ2 4.14Å; I175-W249 HydrophobicContact CD1-CZ3 3.97Å; V209-W249 HydrophobicContact CB-CB 3.82Å; V209-W249 HydrophobicContact CG2-CB 3.47Å; V209-W249 VanDerWaalsContact CG2-CB 3.47Å; V209-W249 HydrophobicContact CG2-CG 3.89Å; T210-W249 PolarHBondContact OG1-N 3.39Å; T210-W249 PolarHBondContact OG1-O 2.88Å; T210-W249 VanDerWaalsContact OG1-O 3.09Å; Q215-W249 PolarHBondContact OE1-O 3.2Å; W249-I251 HydrophobicContact CD2-CG2 3.84Å; W249-I251 HydrophobicContact CE3-CG2 4.31Å; W249-I251 HydrophobicContact CG-CG2 4.43Å; W249-I251 HydrophobicContact CH2-CG2 3.91Å; W249-I251 HydrophobicContact CZ2-CB 4.43Å; W249-I251 HydrophobicContact CZ2-CD1 3.93Å; W249-I251 HydrophobicContact CZ2-CG1 4.42Å; W249-I251 HydrophobicContact CZ2-CG2 3.36Å; W249-I251 HydrophobicContact CZ3-CG2 4.36Å; W249-I251 VanDerWaalsContact NE1-CD1 3.34Å; W249-A273 HydrophobicContact CE3-CB 3.84Å; W249-A273 HydrophobicContact CZ3-CB 4.16Å; W249-F313 HydrophobicContact CH2-CE2 4.09Å; W249-F313 AromaticContact CH2-CZ 3.92Å; W249-F313 HydrophobicContact CH2-CZ 3.92Å; W249-F313 AromaticContact CZ3-CE2 3.89Å; W249-F313 HydrophobicContact CZ3-CE2 3.89Å; W249-F313 AromaticContact CZ3-CZ 3.63Å; W249-F313 HydrophobicContact CZ3-CZ 3.63Å; W249-P386 HydrophobicContact CH2-CB 4.04Å; W249-P386 HydrophobicContact CH2-CG 3.92Å; W249-L428 HydrophobicContact CB-CD1 4.26Å; W249-L428 HydrophobicContact CD2-CD1 4.49Å; W249-L428 HydrophobicContact CE3-CD1 3.72Å; W249-L428 HydrophobicContact CE3-CD2 4.03Å; W249-L428 HydrophobicContact CE3-CG 4.32Å; W249-L428 HydrophobicContact CZ3-CD1 4.46Å; W249-L428 HydrophobicContact CZ3-CD2 3.94Å
250	S	98.5	Very high	97.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	84.5	179.5	-173.7	0	0	0	0	109.8	E218 H248 P253 L256 A273 I274 Q275	E218-S250 PolarHBondContact OE1-OG 2.95Å; H248-S250 WeakPolarHBondContact NE2-CB 3.18Å; S250-P253 VanDerWaalsContact OG-CD 3.28Å; S250-P253 WeakPolarHBondContact OG-CD 3.27Å; S250-P253 VanDerWaalsContact OG-CG 3.27Å; S250-P253 WeakPolarHBondContact OG-CG 3.34Å; S250-L256 WeakPolarHBondContact OG-CD2 3.47Å; S250-A273 PolarHBondContact N-O 3.39Å; S250-I274 WeakPolarHBondContact O-CA 3.47Å; S250-Q275 PolarHBondContact O-N 3.37Å
251	I	98.7	Very high	97.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-97.6	-19.6	-173.5	56.4	167.2	0	0	0	114.7	H138 Q215 W249 Q275 F313 Y318	H138-I251 HydrophobicContact CB-CD1 4.06Å; Q215-I251 VanDerWaalsContact OE1-N 3.11Å; W249-I251 HydrophobicContact CD2-CG2 3.84Å; W249-I251 HydrophobicContact CE3-CG2 4.31Å; W249-I251 HydrophobicContact CG-CG2 4.43Å; W249-I251 HydrophobicContact CH2-CG2 3.91Å; W249-I251 HydrophobicContact CZ2-CB 4.43Å; W249-I251 HydrophobicContact CZ2-CD1 3.93Å; W249-I251 HydrophobicContact CZ2-CG1 4.42Å; W249-I251 HydrophobicContact CZ2-CG2 3.36Å; W249-I251 HydrophobicContact CZ3-CG2 4.36Å; W249-I251 VanDerWaalsContact NE1-CD1 3.34Å; I251-Q275 HydrophobicContact CB-CB 4.2Å; I251-Q275 HydrophobicContact CG2-CB 4.34Å; I251-Q275 VanDerWaalsContact O-CB 3.26Å; I251-Q275 WeakPolarHBondContact O-CB 3.31Å; I251-Q275 WeakPolarHBondContact O-CG 3.49Å; I251-F313 HydrophobicContact CG2-CE2 4.13Å; I251-Y318 HydrophobicContact CB-CD1 3.94Å; I251-Y318 HydrophobicContact CB-CG 4.15Å; I251-Y318 HydrophobicContact CD1-CD1 4.1Å; I251-Y318 HydrophobicContact CD1-CD2 3.93Å; I251-Y318 HydrophobicContact CD1-CE1 4.48Å; I251-Y318 HydrophobicContact CD1-CE2 4.33Å; I251-Y318 HydrophobicContact CD1-CG 3.81Å; I251-Y318 HydrophobicContact CG1-CD1 4.24Å; I251-Y318 HydrophobicContact CG1-CG 4.39Å; I251-Y318 WeakPolarHBondContact O-CD1 3.4Å
252	D	98.7	Very high	97.4	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.048	10%	0.098	C	C	.	.	S	Bend	trans	-126	-5.4	-169.4	-150.4	25.5	0	0	0	117.6	H138 F254 R276 Y318 H518	H138-D252 IonicContact CD2-OD2 2.66Å; H138-D252 IonicContact CE1-OD2 3.17Å; H138-D252 IonicContact NE2-OD2 2.79Å; H138-D252 PolarHBondContact NE2-OD2 3.39Å; D252-F254 WeakPolarHBondContact O-CD1 3.47Å; D252-F254 WeakPolarHBondContact O-CE1 3.33Å; D252-F254 PolarHBondContact O-N 2.86Å; D252-R276 PolarHBondContact O-NE 3.13Å; D252-R276 IonicContact OD1-CZ 3.12Å; D252-R276 IonicContact OD1-NE 3.15Å; D252-R276 PolarHBondContact OD1-NE 3.3Å; D252-R276 IonicContact OD1-NH2 2.7Å; D252-R276 PolarHBondContact OD1-NH2 2.82Å; D252-Y318 HydrophobicContact CB-CE1 4.06Å; D252-Y318 WeakPolarHBondContact OD1-CE1 3.27Å; D252-H518 IonicContact OD2-CD2 2.82Å; D252-H518 PolarHBondContact OD2-CD2 3.35Å; D252-H518 IonicContact OD2-NE2 3.95Å; D252-H518 PolarHBondContact OD2-NE2 3Å
253	P	98.7	Very high	97.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-63.4	137.1	168	-25.2	38.9	0	0	0	112.2	Q215 T216 E218 S250 G255 L256 R276	Q215-P253 HydrophobicContact CG-CG 4.05Å; T216-P253 WeakPolarHBondContact O-CG 3.29Å; E218-P253 HydrophobicContact CB-CB 4.49Å; E218-P253 HydrophobicContact CG-CB 4.08Å; E218-P253 HydrophobicContact CG-CG 4.39Å; S250-P253 VanDerWaalsContact OG-CD 3.28Å; S250-P253 WeakPolarHBondContact OG-CD 3.27Å; S250-P253 VanDerWaalsContact OG-CG 3.27Å; S250-P253 WeakPolarHBondContact OG-CG 3.34Å; P253-G255 VanDerWaalsContact C-N 3.32Å; P253-G255 PolarHBondContact O-N 3.36Å; P253-L256 HydrophobicContact CB-CD2 4.17Å; P253-R276 VanDerWaalsContact O-CB 3.25Å; P253-R276 WeakPolarHBondContact O-CB 3.26Å; P253-R276 WeakPolarHBondContact O-CD 3.49Å
254	F	98.6	Very high	97.5	Very high	11 Å²	11	12.3 Å²	12.3	5%	0.048	6%	0.062	C	C	.	.	S	Bend	trans	-84.2	68.5	-168.2	-41.3	-43.8	0	0	0	113	D252 Y456 W464 Y467 H518 T522 T524	D252-F254 WeakPolarHBondContact O-CD1 3.47Å; D252-F254 WeakPolarHBondContact O-CE1 3.33Å; D252-F254 PolarHBondContact O-N 2.86Å; F254-Y456 HydrophobicContact CB-CD1 4.33Å; F254-W464 HydrophobicContact CB-CE3 3.84Å; F254-W464 HydrophobicContact CB-CZ3 4.49Å; F254-W464 AromaticContact CD1-CE3 3.81Å; F254-W464 HydrophobicContact CD1-CE3 3.81Å; F254-W464 AromaticContact CD1-CZ3 3.59Å; F254-W464 HydrophobicContact CD1-CZ3 3.59Å; F254-W464 HydrophobicContact CD2-CE3 4.16Å; F254-W464 HydrophobicContact CD2-CZ3 4.45Å; F254-W464 HydrophobicContact CE1-CE3 4.47Å; F254-W464 AromaticContact CE1-CZ3 3.9Å; F254-W464 HydrophobicContact CE1-CZ3 3.9Å; F254-W464 AromaticContact CG-CE3 3.65Å; F254-W464 HydrophobicContact CG-CE3 3.65Å; F254-W464 AromaticContact CG-CZ3 3.91Å; F254-W464 HydrophobicContact CG-CZ3 3.91Å; F254-W464 HydrophobicContact CZ-CZ3 4.45Å; F254-Y467 HydrophobicContact CB-CD1 4.31Å; F254-Y467 HydrophobicContact CB-CE1 3.62Å; F254-Y467 HydrophobicContact CD2-CD1 4.09Å; F254-Y467 HydrophobicContact CD2-CD2 4.22Å; F254-Y467 HydrophobicContact CD2-CE1 4.1Å; F254-Y467 HydrophobicContact CD2-CE2 4.22Å; F254-Y467 HydrophobicContact CD2-CG 4.15Å; F254-Y467 HydrophobicContact CG-CE1 4.39Å; F254-Y467 PolarHBondContact O-OH 3.37Å; F254-H518 WeakPolarHBondContact CE2-O 3.3Å; F254-H518 WeakPolarHBondContact CZ-O 3.23Å; F254-T522 HydrophobicContact CD2-CG2 4.39Å; F254-T522 HydrophobicContact CE2-CG2 4.22Å; F254-T524 HydrophobicContact CE2-CG2 4.01Å
255	G	98.4	Very high	97.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	100.2	153.9	-164	0	0	0	0	0	110.3	P253 R276 F454	P253-G255 VanDerWaalsContact C-N 3.32Å; P253-G255 PolarHBondContact O-N 3.36Å; G255-R276 WeakPolarHBondContact CA-O 3.46Å; G255-R276 PolarHBondContact N-O 2.91Å; G255-F454 VanDerWaalsContact CA-CE1 3.46Å; G255-F454 WeakPolarHBondContact O-CE1 3.26Å
256	L	98.7	Very high	97.1	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.062	C	C	.	.			trans	-131	143.3	-163	-57.2	161.1	0	0	0	111.6	E218 S250 P253 I274 V277 W295 F453	E218-L256 VanDerWaalsContact OE1-CD2 3.26Å; E218-L256 WeakPolarHBondContact OE1-CD2 3.24Å; E218-L256 WeakPolarHBondContact OE2-CA 3.38Å; S250-L256 WeakPolarHBondContact OG-CD2 3.47Å; P253-L256 HydrophobicContact CB-CD2 4.17Å; L256-I274 HydrophobicContact CD1-CB 3.62Å; L256-I274 HydrophobicContact CD1-CD1 3.71Å; L256-I274 HydrophobicContact CD1-CG1 4.11Å; L256-I274 HydrophobicContact CD1-CG2 4.15Å; L256-V277 HydrophobicContact CD1-CG2 3.88Å; L256-W295 HydrophobicContact CB-CH2 3.96Å; L256-F453 HydrophobicContact CB-CB 4.18Å; L256-F453 HydrophobicContact CB-CD2 3.99Å; L256-F453 HydrophobicContact CD1-CD2 4.34Å; L256-F453 PolarHBondContact O-N 2.98Å
257	S	98.1	Very high	97	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.			trans	-110.7	133.7	-175.5	-178.9	0	0	0	0	111.2	E218 T259 M260 N666	E218-S257 WeakPolarHBondContact O-CB 3.31Å; E218-S257 PolarHBondContact OE2-N 3.31Å; S257-T259 PolarHBondContact O-N 2.9Å; S257-T259 WeakPolarHBondContact OG-CB 3.29Å; S257-T259 PolarHBondContact OG-N 3.33Å; S257-T259 PolarHBondContact OG-OG1 3.48Å; S257-M260 PolarHBondContact O-N 2.79Å; S257-M260 VanDerWaalsContact O-N 3.12Å; S257-N666 WeakPolarHBondContact CB-OD1 3.31Å; S257-N666 PolarHBondContact OG-OD1 3.38Å
258	P	96.6	Very high	96.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.4	-18.6	171.5	27.3	-35.6	0	0	0	112.1	M260 A261 H262 W295 Q297 D452 L665	P258-M260 PolarHBondContact O-N 2.83Å; P258-A261 PolarHBondContact O-N 3.24Å; P258-H262 PolarHBondContact O-N 3.36Å; P258-W295 HydrophobicContact CB-CZ2 4.01Å; P258-Q297 PolarHBondContact O-NE2 2.98Å; P258-D452 VanDerWaalsContact CD-CB 3.49Å; P258-D452 HydrophobicContact CG-CB 4.33Å; P258-L665 HydrophobicContact CG-CD1 3.81Å
259	T	96.8	Very high	96.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.9	-41.6	174.5	-59.4	0	0	0	0	112.2	M226 S257 H262 F263 N666 F668 Q669	M226-T259 HydrophobicContact CE-CG2 4.28Å; M226-T259 HydrophobicContact SD-CG2 4.21Å; S257-T259 PolarHBondContact O-N 2.9Å; S257-T259 WeakPolarHBondContact OG-CB 3.29Å; S257-T259 PolarHBondContact OG-N 3.33Å; S257-T259 PolarHBondContact OG-OG1 3.48Å; T259-H262 WeakPolarHBondContact O-CB 3.34Å; T259-H262 PolarHBondContact O-N 3.48Å; T259-F263 HydrophobicContact CG2-CD2 3.84Å; T259-F263 HydrophobicContact CG2-CE1 4.41Å; T259-F263 HydrophobicContact CG2-CE2 3.22Å; T259-F263 HydrophobicContact CG2-CZ 3.54Å; T259-F263 WeakPolarHBondContact O-CD2 3.23Å; T259-F263 WeakPolarHBondContact O-CG 3.5Å; T259-F263 PolarHBondContact O-N 3.02Å; T259-F263 VanDerWaalsContact O-N 3.09Å; T259-N666 VanDerWaalsContact CB-OD1 3.27Å; T259-N666 WeakPolarHBondContact CB-OD1 3.41Å; T259-N666 HydrophobicContact CG2-CB 3.96Å; T259-N666 PolarHBondContact OG1-OD1 3.19Å; T259-F668 HydrophobicContact CG2-CB 4.02Å; T259-F668 HydrophobicContact CG2-CD1 3.83Å; T259-F668 HydrophobicContact CG2-CG 4.18Å; T259-Q669 PolarHBondContact OG1-NE2 2.95Å
260	M	97	Very high	96.3	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.02	9%	0.094	C	C	.	.	H	α-helix	trans	-66.8	-44.1	178.2	-171.5	55.3	-171.1	0	0	110.8	T210 T216 E218 M226 S257 P258 H262 F263 V264	T210-M260 HydrophobicContact CG2-CE 4.39Å; T216-M260 HydrophobicContact CG2-CE 4.2Å; T216-M260 HydrophobicContact CG2-CG 4.43Å; T216-M260 HydrophobicContact CG2-SD 3.84Å; E218-M260 HydrophobicContact CG-CB 4.12Å; E218-M260 HydrophobicContact CG-CG 4.46Å; M226-M260 HydrophobicContact CE-CB 3.76Å; M226-M260 HydrophobicContact CE-CG 4.28Å; M226-M260 HydrophobicContact CE-SD 3.78Å; S257-M260 PolarHBondContact O-N 2.79Å; S257-M260 VanDerWaalsContact O-N 3.12Å; P258-M260 PolarHBondContact O-N 2.83Å; M260-H262 VanDerWaalsContact C-N 3.26Å; M260-H262 PolarHBondContact O-N 3.12Å; M260-F263 PolarHBondContact O-N 2.95Å; M260-F263 VanDerWaalsContact O-N 3.16Å; M260-V264 HydrophobicContact CE-CG1 3.35Å; M260-V264 HydrophobicContact CG-CG1 4.48Å; M260-V264 WeakPolarHBondContact O-CG2 3.34Å; M260-V264 PolarHBondContact O-N 3.4Å; M260-V264 HydrophobicContact SD-CG1 4.2Å
261	A	95.8	Very high	96.3	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-56.7	-40	175.3	0	0	0	0	0	112.5	P258 V264 H265 L272 W295	P258-A261 PolarHBondContact O-N 3.24Å; A261-V264 WeakPolarHBondContact O-CG2 3.38Å; A261-H265 WeakPolarHBondContact O-CB 3.41Å; A261-H265 PolarHBondContact O-N 2.71Å; A261-L272 HydrophobicContact CB-CD2 3.55Å; A261-W295 HydrophobicContact CB-CD2 3.99Å; A261-W295 HydrophobicContact CB-CE3 3.52Å; A261-W295 HydrophobicContact CB-CH2 4.48Å; A261-W295 HydrophobicContact CB-CZ3 3.8Å
262	H	94.1	Very high	96.3	Very high	16 Å²	16	16.5 Å²	16.5	7%	0.074	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-49.2	175.3	-170.5	55.6	0	0	0	112.3	P258 T259 M260 H265 L266 Q297 F668	P258-H262 PolarHBondContact O-N 3.36Å; T259-H262 WeakPolarHBondContact O-CB 3.34Å; T259-H262 PolarHBondContact O-N 3.48Å; M260-H262 VanDerWaalsContact C-N 3.26Å; M260-H262 PolarHBondContact O-N 3.12Å; H262-H265 PolarHBondContact O-N 2.82Å; H262-L266 WeakPolarHBondContact O-CG 3.32Å; H262-L266 PolarHBondContact O-N 2.89Å; H262-Q297 HydrophobicContact CB-CG 4.29Å; H262-F668 AromaticContact CD2-CE1 3.51Å; H262-F668 AromaticContact CD2-CZ 3.59Å; H262-F668 AromaticContact NE2-CZ 3.87Å
263	F	95.5	Very high	96.3	Very high	8 Å²	8	16 Å²	16	4%	0.035	10%	0.097	C	C	.	.	H	α-helix	trans	-69.7	-37.9	-174.9	-64.8	-24.8	0	0	0	113.2	M226 I227 T259 M260 H265 L266 A267 F668	M226-F263 HydrophobicContact CB-CD2 4.33Å; M226-F263 HydrophobicContact CB-CE2 4.47Å; I227-F263 HydrophobicContact CD1-CD1 4.39Å; I227-F263 HydrophobicContact CD1-CD2 4.41Å; I227-F263 HydrophobicContact CD1-CE1 4.11Å; I227-F263 HydrophobicContact CD1-CE2 4.11Å; I227-F263 HydrophobicContact CD1-CZ 3.98Å; I227-F263 HydrophobicContact CG1-CD1 4.42Å; I227-F263 HydrophobicContact CG1-CD2 3.85Å; I227-F263 HydrophobicContact CG1-CE2 3.95Å; I227-F263 HydrophobicContact CG1-CG 4.12Å; I227-F263 HydrophobicContact CG1-CZ 4.31Å; T259-F263 HydrophobicContact CG2-CD2 3.84Å; T259-F263 HydrophobicContact CG2-CE1 4.41Å; T259-F263 HydrophobicContact CG2-CE2 3.22Å; T259-F263 HydrophobicContact CG2-CZ 3.54Å; T259-F263 WeakPolarHBondContact O-CD2 3.23Å; T259-F263 WeakPolarHBondContact O-CG 3.5Å; T259-F263 PolarHBondContact O-N 3.02Å; T259-F263 VanDerWaalsContact O-N 3.09Å; M260-F263 PolarHBondContact O-N 2.95Å; M260-F263 VanDerWaalsContact O-N 3.16Å; F263-H265 VanDerWaalsContact C-N 3.31Å; F263-H265 PolarHBondContact O-N 2.82Å; F263-L266 PolarHBondContact O-N 3.34Å; F263-A267 WeakPolarHBondContact O-CB 3.5Å; F263-A267 PolarHBondContact O-N 3.47Å; F263-F668 HydrophobicContact CE1-CD1 4.3Å; F263-F668 HydrophobicContact CE1-CD2 4.34Å; F263-F668 AromaticContact CE1-CE1 3.99Å; F263-F668 HydrophobicContact CE1-CE1 3.99Å; F263-F668 HydrophobicContact CE1-CE2 4.09Å; F263-F668 HydrophobicContact CE1-CG 4.46Å; F263-F668 AromaticContact CE1-CZ 3.91Å; F263-F668 HydrophobicContact CE1-CZ 3.91Å; F263-F668 HydrophobicContact CZ-CD1 4.06Å; F263-F668 HydrophobicContact CZ-CD2 4.02Å; F263-F668 HydrophobicContact CZ-CE1 4.23Å; F263-F668 HydrophobicContact CZ-CE2 4.24Å; F263-F668 AromaticContact CZ-CG 3.95Å; F263-F668 HydrophobicContact CZ-CG 3.95Å; F263-F668 HydrophobicContact CZ-CZ 4.34Å
264	V	96	Very high	96.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.6	-36.3	174.2	-59.7	0	0	0	0	111.5	H248 M260 A261 A267 G268 I269 L272	H248-V264 HydrophobicContact CB-CG2 4.23Å; M260-V264 HydrophobicContact CE-CG1 3.35Å; M260-V264 HydrophobicContact CG-CG1 4.48Å; M260-V264 WeakPolarHBondContact O-CG2 3.34Å; M260-V264 PolarHBondContact O-N 3.4Å; M260-V264 HydrophobicContact SD-CG1 4.2Å; A261-V264 WeakPolarHBondContact O-CG2 3.38Å; V264-A267 CarbonylContact O-C 3.56Å; V264-A267 WeakPolarHBondContact O-CA 3.36Å; V264-A267 WeakPolarHBondContact O-CB 3.44Å; V264-A267 PolarHBondContact O-N 3.31Å; V264-A267 VanDerWaalsContact O-N 3.12Å; V264-G268 PolarHBondContact O-N 3.14Å; V264-I269 CarbonylContact C-O 3.48Å; V264-I269 HydrophobicContact CB-CB 4.09Å; V264-I269 HydrophobicContact CB-CD1 4.28Å; V264-I269 HydrophobicContact CB-CG2 4.36Å; V264-I269 HydrophobicContact CG2-CG2 4.47Å; V264-I269 WeakPolarHBondContact O-CB 3.35Å; V264-I269 PolarHBondContact O-N 3.2Å; V264-L272 HydrophobicContact CG2-CD1 4.06Å; V264-L272 HydrophobicContact CG2-CD2 4.4Å; V264-L272 HydrophobicContact CG2-CG 4.27Å
265	H	94.1	Very high	96.3	Very high	21 Å²	21	15.7 Å²	15.7	10%	0.097	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-45.7	173.6	-170	98.1	0	0	0	111.9	A261 H262 F263 A267 G268 I269 S305 I306	A261-H265 WeakPolarHBondContact O-CB 3.41Å; A261-H265 PolarHBondContact O-N 2.71Å; H262-H265 PolarHBondContact O-N 2.82Å; F263-H265 VanDerWaalsContact C-N 3.31Å; F263-H265 PolarHBondContact O-N 2.82Å; H265-A267 PolarHBondContact O-N 2.84Å; H265-G268 WeakPolarHBondContact O-CA 3.46Å; H265-G268 PolarHBondContact O-N 3.06Å; H265-I269 VanDerWaalsContact CA-O 3.24Å; H265-I269 WeakPolarHBondContact CA-O 3.32Å; H265-I269 PolarHBondContact N-O 2.94Å; H265-S305 PolarHBondContact NE2-O 3.09Å; H265-I306 WeakPolarHBondContact NE2-CA 3.42Å
266	L	93.3	Very high	96.3	Very high	85 Å²	85	17 Å²	17	45%	0.445	10%	0.101	S	C	.	.	H	α-helix	trans	-62.5	-28.2	173.9	-68.7	-176.9	0	0	0	112.7	H262 F263 G268	H262-L266 WeakPolarHBondContact O-CG 3.32Å; H262-L266 PolarHBondContact O-N 2.89Å; F263-L266 PolarHBondContact O-N 3.34Å; L266-G268 PolarHBondContact O-N 2.8Å
267	A	93.8	Very high	96.3	Very high	38 Å²	38	17 Å²	17	31%	0.314	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.7	172.2	0	0	0	0	0	113.8	L230 F263 V264 H265	L230-A267 HydrophobicContact CD2-CB 3.97Å; F263-A267 WeakPolarHBondContact O-CB 3.5Å; F263-A267 PolarHBondContact O-N 3.47Å; V264-A267 CarbonylContact O-C 3.56Å; V264-A267 WeakPolarHBondContact O-CA 3.36Å; V264-A267 WeakPolarHBondContact O-CB 3.44Å; V264-A267 PolarHBondContact O-N 3.31Å; V264-A267 VanDerWaalsContact O-N 3.12Å; H265-A267 PolarHBondContact O-N 2.84Å
268	G	93.5	Very high	96.3	Very high	51 Å²	51	17 Å²	17	53%	0.526	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	4.2	176.4	0	0	0	0	0	115.5	V264 H265 L266	V264-G268 PolarHBondContact O-N 3.14Å; H265-G268 WeakPolarHBondContact O-CA 3.46Å; H265-G268 PolarHBondContact O-N 3.06Å; L266-G268 PolarHBondContact O-N 2.8Å
269	I	95.8	Very high	96.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.			trans	-92.2	112.3	178.3	-64.1	167.7	0	0	0	109.6	P245 K246 H248 V264 H265	P245-I269 HydrophobicContact CB-CD1 4.12Å; K246-I269 WeakPolarHBondContact O-CG2 3.47Å; H248-I269 HydrophobicContact CB-CG2 3.69Å; H248-I269 VanDerWaalsContact N-CG2 3.32Å; V264-I269 CarbonylContact C-O 3.48Å; V264-I269 HydrophobicContact CB-CB 4.09Å; V264-I269 HydrophobicContact CB-CD1 4.28Å; V264-I269 HydrophobicContact CB-CG2 4.36Å; V264-I269 HydrophobicContact CG2-CG2 4.47Å; V264-I269 WeakPolarHBondContact O-CB 3.35Å; V264-I269 PolarHBondContact O-N 3.2Å; H265-I269 VanDerWaalsContact CA-O 3.24Å; H265-I269 WeakPolarHBondContact CA-O 3.32Å; H265-I269 PolarHBondContact N-O 2.94Å
270	K	91.8	Very high	96.4	Very high	78 Å²	78	18 Å²	18	34%	0.339	11%	0.106	S	C	.	.			trans	-97.1	-21.1	-173.3	-59.4	-174.9	-177.7	-174.1	0	114.4	Q77 L78 F309	Q77-K270 PolarHBondContact O-NZ 3.45Å; L78-K270 VanDerWaalsContact CD2-NZ 3.27Å; K270-F309 PolarHBondContact O-N 3.28Å
271	N	97.6	Very high	96.5	Very high	21 Å²	21	17.8 Å²	17.8	11%	0.112	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.7	-176.1	-51	-53.1	0	0	0	110.9	N247 H248 F309 F432	N247-N271 CarbonylContact C-O 3.57Å; N247-N271 WeakPolarHBondContact CA-O 3.2Å; N247-N271 WeakPolarHBondContact OD1-CB 3.47Å; N247-N271 PolarHBondContact OD1-ND2 3.28Å; H248-N271 PolarHBondContact N-O 2.91Å; N271-F309 CarbonylContact C-O 3.57Å; N271-F309 VanDerWaalsContact CA-O 3.3Å; N271-F309 WeakPolarHBondContact CA-O 3.43Å; N271-F432 HydrophobicContact CB-CB 4.35Å; N271-F432 HydrophobicContact CB-CD1 3.71Å; N271-F432 HydrophobicContact CB-CD2 3.53Å; N271-F432 HydrophobicContact CB-CE1 3.78Å; N271-F432 HydrophobicContact CB-CE2 3.61Å; N271-F432 HydrophobicContact CB-CG 3.6Å; N271-F432 HydrophobicContact CB-CZ 3.74Å
272	L	98.5	Very high	96.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138	-175.4	-72.4	56.8	0	0	0	109.6	H248 A261 V264 I274 W295 A308 F309 T310 H311	H248-L272 HydrophobicContact CB-CB 4.37Å; H248-L272 HydrophobicContact CB-CD1 4.28Å; H248-L272 HydrophobicContact CB-CG 3.88Å; H248-L272 CarbonylContact O-C 3.55Å; A261-L272 HydrophobicContact CB-CD2 3.55Å; V264-L272 HydrophobicContact CG2-CD1 4.06Å; V264-L272 HydrophobicContact CG2-CD2 4.4Å; V264-L272 HydrophobicContact CG2-CG 4.27Å; L272-I274 HydrophobicContact CB-CG2 4.49Å; L272-W295 HydrophobicContact CD2-CE3 4.1Å; L272-W295 HydrophobicContact CD2-CZ3 4.46Å; L272-A308 HydrophobicContact CD1-CB 3.49Å; L272-A308 VanDerWaalsContact CD1-CB 3.49Å; L272-A308 HydrophobicContact CD2-CB 3.94Å; L272-A308 HydrophobicContact CG-CB 4.36Å; L272-F309 PolarHBondContact N-O 3.42Å; L272-T310 HydrophobicContact CB-CG2 4.16Å; L272-T310 CarbonylContact O-C 3.51Å; L272-T310 WeakPolarHBondContact O-CA 3.4Å; L272-H311 PolarHBondContact O-N 3.49Å
273	A	98.8	Very high	96.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.2	167.4	0	0	0	0	0	109.2	H248 W249 S250 H311 F313 L428	H248-A273 PolarHBondContact O-N 2.98Å; W249-A273 HydrophobicContact CE3-CB 3.84Å; W249-A273 HydrophobicContact CZ3-CB 4.16Å; S250-A273 PolarHBondContact N-O 3.39Å; A273-H311 WeakPolarHBondContact CA-O 3.4Å; A273-F313 HydrophobicContact CB-CE2 4.13Å; A273-F313 HydrophobicContact CB-CZ 4.16Å; A273-L428 HydrophobicContact CB-CD1 4.48Å; A273-L428 HydrophobicContact CB-CD2 4.43Å
274	I	98.8	Very high	96.9	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.9	-171.2	64.3	166	0	0	0	112.7	S250 L256 L272 F293 W295 T310 H311 L312 F313 F453	S250-I274 WeakPolarHBondContact O-CA 3.47Å; L256-I274 HydrophobicContact CD1-CB 3.62Å; L256-I274 HydrophobicContact CD1-CD1 3.71Å; L256-I274 HydrophobicContact CD1-CG1 4.11Å; L256-I274 HydrophobicContact CD1-CG2 4.15Å; L272-I274 HydrophobicContact CB-CG2 4.49Å; I274-F293 HydrophobicContact CD1-CZ 4.14Å; I274-W295 HydrophobicContact CD1-CZ3 4.36Å; I274-T310 HydrophobicContact CD1-CG2 3.46Å; I274-T310 VanDerWaalsContact CD1-CG2 3.46Å; I274-T310 HydrophobicContact CG1-CG2 3.65Å; I274-T310 HydrophobicContact CG2-CG2 4.27Å; I274-H311 WeakPolarHBondContact CG1-O 3.2Å; I274-H311 PolarHBondContact N-O 2.93Å; I274-L312 HydrophobicContact CD1-CB 4.37Å; I274-L312 HydrophobicContact CD1-CD1 4.19Å; I274-L312 HydrophobicContact CG1-CB 4.12Å; I274-L312 HydrophobicContact CG1-CD1 3.94Å; I274-F313 VanDerWaalsContact O-CD2 3.25Å; I274-F313 WeakPolarHBondContact O-CD2 3.48Å; I274-F313 PolarHBondContact O-N 3.23Å; I274-F453 HydrophobicContact CD1-CD2 4.42Å; I274-F453 HydrophobicContact CD1-CE2 3.9Å; I274-F453 HydrophobicContact CD1-CZ 4.46Å
275	Q	98.8	Very high	97	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	13%	0.125	C	C	.	.			trans	-121.7	-67.5	-173.4	174.9	60.7	25.6	0	0	114.9	S250 I251 V277 K282 F313 F315 Y316 S317 Y318	S250-Q275 PolarHBondContact O-N 3.37Å; I251-Q275 HydrophobicContact CB-CB 4.2Å; I251-Q275 HydrophobicContact CG2-CB 4.34Å; I251-Q275 VanDerWaalsContact O-CB 3.26Å; I251-Q275 WeakPolarHBondContact O-CB 3.31Å; I251-Q275 WeakPolarHBondContact O-CG 3.49Å; Q275-V277 PolarHBondContact O-N 2.88Å; Q275-K282 WeakPolarHBondContact O-CE 3.41Å; Q275-K282 PolarHBondContact O-NZ 3.46Å; Q275-F313 HydrophobicContact CB-CD2 4.17Å; Q275-F315 PolarHBondContact NE2-O 2.72Å; Q275-Y316 PolarHBondContact NE2-O 2.67Å; Q275-S317 VanDerWaalsContact NE2-C 3.3Å; Q275-S317 PolarHBondContact NE2-O 2.82Å; Q275-Y318 HydrophobicContact CG-CD1 4.34Å
276	R	98.7	Very high	97.2	Very high	27 Å²	27	22 Å²	22	10%	0.102	12%	0.121	C	C	.	.			trans	-78.9	79.4	-160.9	-67.5	-171.6	178.4	-75.1	2.9	113.4	D252 P253 G255 Y456	D252-R276 PolarHBondContact O-NE 3.13Å; D252-R276 IonicContact OD1-CZ 3.12Å; D252-R276 IonicContact OD1-NE 3.15Å; D252-R276 PolarHBondContact OD1-NE 3.3Å; D252-R276 IonicContact OD1-NH2 2.7Å; D252-R276 PolarHBondContact OD1-NH2 2.82Å; P253-R276 VanDerWaalsContact O-CB 3.25Å; P253-R276 WeakPolarHBondContact O-CB 3.26Å; P253-R276 WeakPolarHBondContact O-CD 3.49Å; G255-R276 WeakPolarHBondContact CA-O 3.46Å; G255-R276 PolarHBondContact N-O 2.91Å; R276-Y456 HydrophobicContact CB-CD1 4.46Å; R276-Y456 HydrophobicContact CB-CD2 4.18Å; R276-Y456 HydrophobicContact CB-CE1 4.19Å; R276-Y456 HydrophobicContact CB-CE2 3.88Å; R276-Y456 HydrophobicContact CB-CG 4.46Å; R276-Y456 HydrophobicContact CG-CE1 4.37Å; R276-Y456 PolarHBondContact NH1-OH 3.12Å; R276-Y456 WeakPolarHBondContact O-CD2 3.17Å
277	V	98.7	Very high	97.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.124	C	C	.	.			trans	-114.1	145.1	174	175.3	0	0	0	0	109.3	L256 Q275 Y279 I281 K282 L312 F453	L256-V277 HydrophobicContact CD1-CG2 3.88Å; Q275-V277 PolarHBondContact O-N 2.88Å; V277-Y279 PolarHBondContact O-N 2.96Å; V277-I281 HydrophobicContact CG1-CB 3.81Å; V277-I281 HydrophobicContact CG1-CD1 4.1Å; V277-I281 HydrophobicContact CG1-CG2 3.69Å; V277-K282 HydrophobicContact CB-CG 4.25Å; V277-K282 HydrophobicContact CG1-CG 4.47Å; V277-K282 WeakPolarHBondContact O-CD 3.36Å; V277-K282 WeakPolarHBondContact O-CE 3.29Å; V277-L312 HydrophobicContact CB-CD1 3.96Å; V277-L312 HydrophobicContact CB-CD2 4.24Å; V277-L312 HydrophobicContact CG1-CD2 4.28Å; V277-L312 HydrophobicContact CG2-CD1 3.54Å; V277-L312 HydrophobicContact CG2-CD2 4.18Å; V277-F453 HydrophobicContact CB-CD1 4.22Å; V277-F453 HydrophobicContact CB-CG 4.49Å; V277-F453 HydrophobicContact CG1-CB 4.35Å; V277-F453 HydrophobicContact CG1-CD1 3.45Å; V277-F453 VanDerWaalsContact CG1-CD1 3.45Å; V277-F453 HydrophobicContact CG1-CE1 4.01Å; V277-F453 HydrophobicContact CG1-CG 4.14Å; V277-F453 HydrophobicContact CG2-CB 3.89Å; V277-F453 HydrophobicContact CG2-CD1 3.7Å; V277-F453 HydrophobicContact CG2-CD2 4.13Å; V277-F453 HydrophobicContact CG2-CE1 4.22Å; V277-F453 HydrophobicContact CG2-CG 3.63Å
278	H	98.6	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.			trans	-48.4	133.2	-179.6	-172.6	-58.8	0	0	0	111.8	F101 S280 I281 K282 Y463	F101-H278 AromaticContact CD1-CE1 3.65Å; F101-H278 AromaticContact CD1-NE2 3.78Å; H278-S280 VanDerWaalsContact C-N 3.34Å; H278-S280 PolarHBondContact CE1-OG 3.25Å; H278-S280 PolarHBondContact ND1-N 2.81Å; H278-S280 VanDerWaalsContact ND1-N 3.13Å; H278-S280 PolarHBondContact O-N 3Å; H278-I281 HydrophobicContact CB-CD1 3.7Å; H278-I281 HydrophobicContact CB-CG1 4.1Å; H278-I281 WeakPolarHBondContact O-CA 3.05Å; H278-I281 WeakPolarHBondContact O-CB 3.44Å; H278-I281 PolarHBondContact O-N 3.5Å; H278-K282 PolarHBondContact O-N 3.35Å; H278-K282 VanDerWaalsContact O-N 3.11Å; H278-Y463 AromaticContact CD2-CE1 3.79Å; H278-Y463 AromaticContact NE2-CE1 3.87Å; H278-Y463 AromaticContact NE2-CZ 3.58Å; H278-Y463 PolarHBondContact NE2-OH 2.96Å; H278-Y463 VanDerWaalsContact NE2-OH 3.15Å
279	Y	98	Very high	97.6	Very high	11 Å²	11	23.7 Å²	23.7	4%	0.043	12%	0.117	C	C	.	.	H	α-helix	trans	-56.6	-40.3	-172.2	64.7	-95	0	0	0	114	N103 Q111 V277 I281 K282 K283 A457 D460	N103-Y279 HydrophobicContact CB-CE2 3.93Å; Q111-Y279 HydrophobicContact CB-CD2 4.28Å; Q111-Y279 HydrophobicContact CB-CG 4.5Å; Q111-Y279 VanDerWaalsContact CD-CB 3.41Å; Q111-Y279 HydrophobicContact CG-CD2 4.18Å; Q111-Y279 HydrophobicContact CG-CG 4.23Å; Q111-Y279 VanDerWaalsContact NE2-CG 3.34Å; V277-Y279 PolarHBondContact O-N 2.96Å; Y279-I281 VanDerWaalsContact C-N 3.3Å; Y279-I281 PolarHBondContact O-N 3.26Å; Y279-K282 WeakPolarHBondContact O-CB 3.45Å; Y279-K282 PolarHBondContact O-N 2.03Å; Y279-K283 WeakPolarHBondContact O-CB 3.46Å; Y279-K283 PolarHBondContact O-N 3.43Å; Y279-A457 WeakPolarHBondContact CD1-O 3.04Å; Y279-A457 HydrophobicContact CE1-CB 4.26Å; Y279-A457 PolarHBondContact N-O 2.84Å; Y279-D460 PolarHBondContact OH-O 3.17Å; Y279-D460 VanDerWaalsContact OH-O 3.07Å
280	S	97.8	Very high	97.7	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.063	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-33.2	174.1	-53.1	0	0	0	0	114.1	H278 Y284	H278-S280 VanDerWaalsContact C-N 3.34Å; H278-S280 PolarHBondContact CE1-OG 3.25Å; H278-S280 PolarHBondContact ND1-N 2.81Å; H278-S280 VanDerWaalsContact ND1-N 3.13Å; H278-S280 PolarHBondContact O-N 3Å; S280-Y284 PolarHBondContact O-N 2.97Å; S280-Y284 VanDerWaalsContact O-N 3.07Å
281	I	98.2	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-71.8	-46	175.7	-59.7	167.6	0	0	0	109.4	M92 L95 Y96 L99 V277 H278 Y279 K283 Y284 L285 F453	M92-I281 HydrophobicContact CE-CD1 3.74Å; M92-I281 HydrophobicContact CE-CG1 4.33Å; M92-I281 HydrophobicContact CE-CG2 3.88Å; L95-I281 HydrophobicContact CD2-CG2 4.36Å; Y96-I281 HydrophobicContact CE2-CD1 3.5Å; Y96-I281 VanDerWaalsContact CE2-CD1 3.5Å; Y96-I281 HydrophobicContact CE2-CG1 4.26Å; L99-I281 HydrophobicContact CD1-CG1 4.2Å; V277-I281 HydrophobicContact CG1-CB 3.81Å; V277-I281 HydrophobicContact CG1-CD1 4.1Å; V277-I281 HydrophobicContact CG1-CG2 3.69Å; H278-I281 HydrophobicContact CB-CD1 3.7Å; H278-I281 HydrophobicContact CB-CG1 4.1Å; H278-I281 WeakPolarHBondContact O-CA 3.05Å; H278-I281 WeakPolarHBondContact O-CB 3.44Å; H278-I281 PolarHBondContact O-N 3.5Å; Y279-I281 VanDerWaalsContact C-N 3.3Å; Y279-I281 PolarHBondContact O-N 3.26Å; I281-K283 VanDerWaalsContact C-N 3.29Å; I281-K283 PolarHBondContact O-N 2.84Å; I281-Y284 PolarHBondContact O-N 3.3Å; I281-L285 HydrophobicContact CG2-CD1 3.85Å; I281-L285 HydrophobicContact CG2-CG 4.21Å; I281-L285 WeakPolarHBondContact O-CG 3.32Å; I281-L285 PolarHBondContact O-N 3.16Å; I281-F453 HydrophobicContact CG2-CE1 4.4Å
282	K	98.4	Very high	98	Very high	9 Å²	9	19 Å²	19	4%	0.039	10%	0.096	C	C	.	.	H	α-helix	trans	-54.3	-46.9	173.7	-73.7	172.8	175	-98.9	0	111	Q275 V277 H278 Y279 Y284 L285 A286 L312 F313 F315	Q275-K282 WeakPolarHBondContact O-CE 3.41Å; Q275-K282 PolarHBondContact O-NZ 3.46Å; V277-K282 HydrophobicContact CB-CG 4.25Å; V277-K282 HydrophobicContact CG1-CG 4.47Å; V277-K282 WeakPolarHBondContact O-CD 3.36Å; V277-K282 WeakPolarHBondContact O-CE 3.29Å; H278-K282 PolarHBondContact O-N 3.35Å; H278-K282 VanDerWaalsContact O-N 3.11Å; Y279-K282 WeakPolarHBondContact O-CB 3.45Å; Y279-K282 PolarHBondContact O-N 2.03Å; K282-Y284 PolarHBondContact O-N 3.2Å; K282-L285 PolarHBondContact O-N 3.09Å; K282-A286 WeakPolarHBondContact O-CB 3.34Å; K282-A286 PolarHBondContact O-N 2.76Å; K282-L312 HydrophobicContact CG-CD2 4.3Å; K282-F313 PolarHBondContact NZ-O 3.21Å; K282-F315 PolarHBondContact NZ-O 2.77Å
283	K	98.1	Very high	97.9	Very high	49 Å²	49	19 Å²	19	21%	0.213	10%	0.096	C	C	.	.	H	α-helix	trans	-57.2	-49.4	176.3	-174.5	-178.7	-173.4	174.1	0	112	Q111 W113 Y279 I281 A286 S287	Q111-K283 WeakPolarHBondContact O-CD 2.99Å; W113-K283 HydrophobicContact CE3-CG 4.22Å; W113-K283 HydrophobicContact CZ3-CG 4.03Å; Y279-K283 WeakPolarHBondContact O-CB 3.46Å; Y279-K283 PolarHBondContact O-N 3.43Å; I281-K283 VanDerWaalsContact C-N 3.29Å; I281-K283 PolarHBondContact O-N 2.84Å; K283-A286 PolarHBondContact O-N 2.99Å; K283-S287 WeakPolarHBondContact O-CB 3.1Å; K283-S287 PolarHBondContact O-N 2.77Å; K283-S287 PolarHBondContact O-OG 2.99Å
284	Y	97.7	Very high	97.7	Very high	77 Å²	77	19 Å²	19	30%	0.302	10%	0.096	S	C	.	.	H	α-helix	trans	-61.1	-51.5	178.2	176.7	-93.5	0	0	0	112.5	L95 L99 S280 I281 K282 A286 S287 T288	L95-Y284 HydrophobicContact CD1-CD1 3.5Å; L95-Y284 HydrophobicContact CD1-CD2 4.05Å; L95-Y284 HydrophobicContact CD1-CE1 3.4Å; L95-Y284 HydrophobicContact CD1-CE2 3.94Å; L95-Y284 HydrophobicContact CD1-CG 3.83Å; L95-Y284 HydrophobicContact CD2-CD1 3.81Å; L95-Y284 HydrophobicContact CD2-CE1 4.1Å; L95-Y284 HydrophobicContact CG-CD1 4.31Å; L95-Y284 HydrophobicContact CG-CE1 4.41Å; L99-Y284 HydrophobicContact CD2-CD2 3.77Å; L99-Y284 HydrophobicContact CD2-CG 3.98Å; S280-Y284 PolarHBondContact O-N 2.97Å; S280-Y284 VanDerWaalsContact O-N 3.07Å; I281-Y284 PolarHBondContact O-N 3.3Å; K282-Y284 PolarHBondContact O-N 3.2Å; Y284-A286 VanDerWaalsContact C-N 3.32Å; Y284-A286 PolarHBondContact O-N 2.88Å; Y284-S287 PolarHBondContact O-N 2.99Å; Y284-S287 PolarHBondContact O-OG 2.81Å; Y284-T288 HydrophobicContact CE1-CG2 4.31Å; Y284-T288 HydrophobicContact CE2-CG2 4.21Å; Y284-T288 PolarHBondContact O-N 3.15Å; Y284-T288 VanDerWaalsContact O-N 3.1Å; Y284-T288 PolarHBondContact O-OG1 3.25Å
285	L	98	Very high	97.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-39.4	-179.8	-67	179.5	0	0	0	111.2	I90 I281 K282 S287 T288 K289 G290 L291 L312 L449	I90-L285 HydrophobicContact CD1-CD2 3.7Å; I281-L285 HydrophobicContact CG2-CD1 3.85Å; I281-L285 HydrophobicContact CG2-CG 4.21Å; I281-L285 WeakPolarHBondContact O-CG 3.32Å; I281-L285 PolarHBondContact O-N 3.16Å; K282-L285 PolarHBondContact O-N 3.09Å; L285-S287 PolarHBondContact O-N 2.95Å; L285-T288 CarbonylContact O-C 3.49Å; L285-T288 PolarHBondContact O-N 3.3Å; L285-T288 PolarHBondContact O-OG1 3.33Å; L285-K289 CarbonylContact O-C 3.59Å; L285-K289 PolarHBondContact O-N 2.96Å; L285-G290 PolarHBondContact O-N 2.86Å; L285-L291 HydrophobicContact CB-CD2 3.8Å; L285-L291 HydrophobicContact CB-CG 4.28Å; L285-L312 HydrophobicContact CD1-CD2 3.73Å; L285-L449 HydrophobicContact CD1-CD1 4.32Å; L285-L449 HydrophobicContact CD2-CD1 4.49Å
286	A	98.2	Very high	97.2	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.025	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-45.8	173.8	0	0	0	0	0	111.6	W109 W113 K282 K283 Y284 T288 K289 L291 L377	W109-A286 HydrophobicContact CH2-CB 3.91Å; W113-A286 HydrophobicContact CH2-CB 3.63Å; W113-A286 HydrophobicContact CZ3-CB 4.15Å; K282-A286 WeakPolarHBondContact O-CB 3.34Å; K282-A286 PolarHBondContact O-N 2.76Å; K283-A286 PolarHBondContact O-N 2.99Å; Y284-A286 VanDerWaalsContact C-N 3.32Å; Y284-A286 PolarHBondContact O-N 2.88Å; A286-T288 PolarHBondContact O-N 3.04Å; A286-K289 PolarHBondContact O-N 2.72Å; A286-K289 VanDerWaalsContact O-N 3.14Å; A286-L291 HydrophobicContact CB-CD1 3.86Å; A286-L291 HydrophobicContact CB-CD2 4.47Å; A286-L291 HydrophobicContact CB-CG 4.26Å; A286-L377 HydrophobicContact CB-CB 4.43Å; A286-L377 HydrophobicContact CB-CD2 4.31Å
287	S	96.8	Very high	96.8	Very high	72 Å²	72	19.5 Å²	19.5	50%	0.503	10%	0.098	S	C	.	.	H	α-helix	trans	-65.7	-25.9	-178.6	71.4	0	0	0	0	113.6	K283 Y284 L285	K283-S287 WeakPolarHBondContact O-CB 3.1Å; K283-S287 PolarHBondContact O-N 2.77Å; K283-S287 PolarHBondContact O-OG 2.99Å; Y284-S287 PolarHBondContact O-N 2.99Å; Y284-S287 PolarHBondContact O-OG 2.81Å; L285-S287 PolarHBondContact O-N 2.95Å
288	T	96.3	Very high	96.3	Very high	57 Å²	57	22.4 Å²	22.4	35%	0.35	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	4.9	179.2	55	0	0	0	0	112.5	Y284 L285 A286 G290	Y284-T288 HydrophobicContact CE1-CG2 4.31Å; Y284-T288 HydrophobicContact CE2-CG2 4.21Å; Y284-T288 PolarHBondContact O-N 3.15Å; Y284-T288 VanDerWaalsContact O-N 3.1Å; Y284-T288 PolarHBondContact O-OG1 3.25Å; L285-T288 CarbonylContact O-C 3.49Å; L285-T288 PolarHBondContact O-N 3.3Å; L285-T288 PolarHBondContact O-OG1 3.33Å; A286-T288 PolarHBondContact O-N 3.04Å; T288-G290 PolarHBondContact O-N 3.39Å
289	K	96.6	Very high	95.7	Very high	79 Å²	79	27.5 Å²	27.5	34%	0.343	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	43.2	-172.1	-63.3	171.3	171	-96.4	0	111.8	L285 A286 Q376 Y378 R379	L285-K289 CarbonylContact O-C 3.59Å; L285-K289 PolarHBondContact O-N 2.96Å; A286-K289 PolarHBondContact O-N 2.72Å; A286-K289 VanDerWaalsContact O-N 3.14Å; K289-Q376 WeakPolarHBondContact CE-O 3.36Å; K289-Q376 PolarHBondContact NZ-O 2.78Å; K289-Y378 PolarHBondContact NZ-O 3.39Å; K289-R379 HydrophobicContact CB-CG 3.8Å; K289-R379 WeakPolarHBondContact O-CG 3.23Å; K289-R379 PolarHBondContact O-NE 2.8Å
290	G	96.9	Very high	95	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	14%	0.139	C	C	.	.			trans	-109.6	21.5	178.9	0	0	0	0	0	113.4	L285 T288 E292 F293	L285-G290 PolarHBondContact O-N 2.86Å; T288-G290 PolarHBondContact O-N 3.39Å; G290-E292 VanDerWaalsContact C-N 3.25Å; G290-F293 WeakPolarHBondContact O-CD1 3.2Å
291	L	98.5	Very high	93.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-73.5	-17.6	173.9	-68.7	171.4	0	0	0	113	L285 A286 L312 P314 L377 Y378	L285-L291 HydrophobicContact CB-CD2 3.8Å; L285-L291 HydrophobicContact CB-CG 4.28Å; A286-L291 HydrophobicContact CB-CD1 3.86Å; A286-L291 HydrophobicContact CB-CD2 4.47Å; A286-L291 HydrophobicContact CB-CG 4.26Å; L291-L312 HydrophobicContact CD2-CB 4.17Å; L291-L312 HydrophobicContact CD2-CD2 3.88Å; L291-L312 HydrophobicContact CD2-CG 3.92Å; L291-L312 WeakPolarHBondContact O-CB 3.44Å; L291-L312 PolarHBondContact O-N 3.16Å; L291-P314 HydrophobicContact CD1-CB 3.76Å; L291-P314 HydrophobicContact CD1-CG 4.27Å; L291-L377 HydrophobicContact CD1-CB 3.84Å; L291-Y378 HydrophobicContact CB-CD1 4Å; L291-Y378 HydrophobicContact CB-CE1 3.52Å; L291-Y378 HydrophobicContact CD1-CE1 3.98Å; L291-Y378 HydrophobicContact CG-CE1 4.43Å
292	E	98.2	Very high	91.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.9	170.9	-73	161.5	146.3	0	0	108	G290 F309 T310 H311 Y378 Y431 L435 F446 P447	G290-E292 VanDerWaalsContact C-N 3.25Å; E292-F309 HydrophobicContact CB-CE2 4.39Å; E292-F309 HydrophobicContact CB-CZ 3.87Å; E292-F309 HydrophobicContact CG-CZ 4.21Å; E292-T310 VanDerWaalsContact CA-O 3.31Å; E292-T310 WeakPolarHBondContact CA-O 3.32Å; E292-H311 IonicContact OE1-ND1 2.67Å; E292-Y378 VanDerWaalsContact CD-CD1 3.44Å; E292-Y378 HydrophobicContact CG-CD1 3.69Å; E292-Y378 HydrophobicContact CG-CE1 4.06Å; E292-Y431 PolarHBondContact OE1-OH 2.88Å; E292-L435 WeakPolarHBondContact OE1-CD2 3.34Å; E292-F446 HydrophobicContact CB-CD1 3.6Å; E292-F446 HydrophobicContact CB-CE1 3.58Å; E292-F446 HydrophobicContact CG-CE1 4.32Å; E292-F446 WeakPolarHBondContact OE2-CE1 3.48Å; E292-P447 WeakPolarHBondContact O-CD 3.24Å
293	F	96	Very high	89.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.2	-172.9	54.6	-94	0	0	0	113.1	I274 G290 W295 T310 L312 P447 L449 F453	I274-F293 HydrophobicContact CD1-CZ 4.14Å; G290-F293 WeakPolarHBondContact O-CD1 3.2Å; F293-W295 HydrophobicContact CD2-CB 3.99Å; F293-W295 HydrophobicContact CD2-CG 4.47Å; F293-W295 HydrophobicContact CE2-CB 3.79Å; F293-W295 HydrophobicContact CE2-CD2 4.25Å; F293-W295 AromaticContact CE2-CG 3.9Å; F293-W295 HydrophobicContact CE2-CG 3.9Å; F293-T310 HydrophobicContact CD2-CG2 4.49Å; F293-T310 HydrophobicContact CE1-CG2 4.29Å; F293-T310 HydrophobicContact CE2-CG2 3.71Å; F293-T310 HydrophobicContact CZ-CG2 3.58Å; F293-T310 PolarHBondContact N-O 2.83Å; F293-T310 PolarHBondContact O-N 3.09Å; F293-L312 HydrophobicContact CE1-CB 4.05Å; F293-P447 CarbonylContact C-O 3.46Å; F293-P447 VanDerWaalsContact CA-O 3.25Å; F293-P447 WeakPolarHBondContact CA-O 3.44Å; F293-P447 HydrophobicContact CB-CG 4.06Å; F293-P447 WeakPolarHBondContact CB-O 3.48Å; F293-L449 HydrophobicContact CB-CB 4.1Å; F293-L449 HydrophobicContact CD1-CD1 4.19Å; F293-L449 HydrophobicContact CD2-CB 3.47Å; F293-L449 VanDerWaalsContact CD2-CB 3.47Å; F293-L449 HydrophobicContact CD2-CD1 4.11Å; F293-L449 HydrophobicContact CD2-CD2 4.36Å; F293-L449 HydrophobicContact CD2-CG 4.19Å; F293-L449 HydrophobicContact CE1-CD1 4.16Å; F293-L449 HydrophobicContact CE2-CB 4.01Å; F293-L449 HydrophobicContact CE2-CD1 4.05Å; F293-L449 HydrophobicContact CE2-CD2 4.01Å; F293-L449 HydrophobicContact CE2-CG 4.26Å; F293-L449 HydrophobicContact CG-CB 3.84Å; F293-L449 HydrophobicContact CG-CD1 4.16Å; F293-L449 HydrophobicContact CZ-CD1 4.09Å; F293-F453 HydrophobicContact CE1-CZ 4.44Å; F293-F453 HydrophobicContact CE2-CZ 4.21Å; F293-F453 HydrophobicContact CZ-CE2 4.11Å; F293-F453 AromaticContact CZ-CZ 3.63Å; F293-F453 HydrophobicContact CZ-CZ 3.63Å
294	F	94.5	Very high	87.8	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	107.1	168.8	-71	-75.3	0	0	0	109.9	F80 R296 L304 D307 F309 F446 P447 T448 L449	F80-F294 HydrophobicContact CB-CE1 3.78Å; F80-F294 HydrophobicContact CB-CZ 3.85Å; F80-F294 HydrophobicContact CD1-CZ 4.21Å; F80-F294 HydrophobicContact CG-CZ 4.46Å; F80-F294 WeakPolarHBondContact O-CZ 3.43Å; F294-R296 PolarHBondContact O-N 2.75Å; F294-L304 HydrophobicContact CD1-CD2 4.41Å; F294-L304 HydrophobicContact CG-CD2 4.31Å; F294-D307 HydrophobicContact CB-CB 4.04Å; F294-D307 HydrophobicContact CD1-CB 4.37Å; F294-F309 HydrophobicContact CD1-CB 4.44Å; F294-F309 HydrophobicContact CD1-CD2 4.28Å; F294-F309 HydrophobicContact CE1-CB 4.22Å; F294-F309 AromaticContact CE1-CD2 3.91Å; F294-F309 HydrophobicContact CE1-CD2 3.91Å; F294-F309 HydrophobicContact CE2-CD2 4.39Å; F294-F309 AromaticContact CZ-CD2 3.96Å; F294-F309 HydrophobicContact CZ-CD2 3.96Å; F294-F446 HydrophobicContact CD2-CB 4.13Å; F294-F446 HydrophobicContact CE2-CB 3.93Å; F294-F446 HydrophobicContact CE2-CD2 4.46Å; F294-P447 PolarHBondContact N-O 2.67Å; F294-T448 HydrophobicContact CB-CG2 4.12Å; F294-T448 CarbonylContact O-C 3.59Å; F294-T448 WeakPolarHBondContact O-CA 3.45Å; F294-L449 PolarHBondContact O-N 2.93Å
295	W	94.9	Very high	86.2	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.019	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	110.3	-177.1	-161.1	2.6	0	0	0	110.8	L256 P258 A261 L272 I274 F293 A308 T310 L449 G451 F453	L256-W295 HydrophobicContact CB-CH2 3.96Å; P258-W295 HydrophobicContact CB-CZ2 4.01Å; A261-W295 HydrophobicContact CB-CD2 3.99Å; A261-W295 HydrophobicContact CB-CE3 3.52Å; A261-W295 HydrophobicContact CB-CH2 4.48Å; A261-W295 HydrophobicContact CB-CZ3 3.8Å; L272-W295 HydrophobicContact CD2-CE3 4.1Å; L272-W295 HydrophobicContact CD2-CZ3 4.46Å; I274-W295 HydrophobicContact CD1-CZ3 4.36Å; F293-W295 HydrophobicContact CD2-CB 3.99Å; F293-W295 HydrophobicContact CD2-CG 4.47Å; F293-W295 HydrophobicContact CE2-CB 3.79Å; F293-W295 HydrophobicContact CE2-CD2 4.25Å; F293-W295 AromaticContact CE2-CG 3.9Å; F293-W295 HydrophobicContact CE2-CG 3.9Å; W295-A308 PolarHBondContact N-O 3.42Å; W295-A308 PolarHBondContact O-N 3.34Å; W295-T310 WeakPolarHBondContact CB-OG1 3.45Å; W295-T310 HydrophobicContact CE3-CG2 4.18Å; W295-L449 CarbonylContact C-O 3.46Å; W295-L449 WeakPolarHBondContact CA-O 3.4Å; W295-G451 PolarHBondContact NE1-O 3.28Å; W295-F453 HydrophobicContact CD2-CE2 4.33Å; W295-F453 AromaticContact CE2-CE2 3.82Å; W295-F453 AromaticContact CH2-CD2 3.81Å; W295-F453 HydrophobicContact CH2-CD2 3.81Å; W295-F453 AromaticContact CH2-CE2 3.84Å; W295-F453 HydrophobicContact CH2-CE2 3.84Å; W295-F453 AromaticContact CZ2-CD2 3.65Å; W295-F453 HydrophobicContact CZ2-CD2 3.65Å; W295-F453 AromaticContact CZ2-CE2 3.57Å; W295-F453 HydrophobicContact CZ2-CE2 3.57Å; W295-F453 HydrophobicContact CZ3-CE2 4.29Å
296	R	91.6	Very high	85.3	Confident	33 Å²	33	46.1 Å²	46.1	13%	0.125	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.1	-172	178.4	171.5	-63.3	161	6.3	111.8	F294 N300 D307 L449 S450	F294-R296 PolarHBondContact O-N 2.75Å; R296-N300 HydrophobicContact CG-CB 3.79Å; R296-D307 WeakPolarHBondContact CA-OD1 3.37Å; R296-D307 VanDerWaalsContact CB-OD1 3.26Å; R296-D307 WeakPolarHBondContact CB-OD1 3.26Å; R296-D307 VanDerWaalsContact CG-OD1 3.23Å; R296-D307 WeakPolarHBondContact CG-OD1 3.42Å; R296-D307 IonicContact CZ-OD2 3.61Å; R296-D307 IonicContact NE-OD1 3.52Å; R296-D307 PolarHBondContact NE-OD1 3.43Å; R296-D307 VanDerWaalsContact NE-OD1 3.15Å; R296-D307 IonicContact NE-OD2 2.77Å; R296-D307 PolarHBondContact NE-OD2 3.04Å; R296-D307 IonicContact NH2-OD2 3.43Å; R296-D307 PolarHBondContact NH2-OD2 3.25Å; R296-L449 PolarHBondContact N-O 3.43Å; R296-S450 WeakPolarHBondContact O-CA 3.41Å; R296-S450 WeakPolarHBondContact O-CB 3.48Å
297	Q	91.3	Very high	84.9	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.014	25%	0.247	C	C	.	.			trans	-66.8	147.4	170.9	-60.5	-53.6	-57.5	0	0	112.3	P258 H262 W299 N300	P258-Q297 PolarHBondContact O-NE2 2.98Å; H262-Q297 HydrophobicContact CB-CG 4.29Å; Q297-W299 VanDerWaalsContact C-N 3.3Å; Q297-W299 HydrophobicContact CB-CD2 3.96Å; Q297-W299 HydrophobicContact CB-CE3 4.12Å; Q297-W299 HydrophobicContact CB-CH2 3.75Å; Q297-W299 HydrophobicContact CB-CZ2 3.6Å; Q297-W299 HydrophobicContact CB-CZ3 4.01Å; Q297-W299 HydrophobicContact CG-CH2 3.72Å; Q297-W299 HydrophobicContact CG-CZ2 3.56Å; Q297-W299 HydrophobicContact CG-CZ3 4.43Å; Q297-W299 PolarHBondContact O-N 3.49Å; Q297-N300 PolarHBondContact O-N 3.19Å; Q297-N300 VanDerWaalsContact O-N 3.15Å
298	L	88.6	Confident	84.6	Confident	61 Å²	61	42.8 Å²	42.8	32%	0.319	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-30.4	-173.9	-71	169.8	0	0	0	114.1	V671	L298-V671 HydrophobicContact CD1-CB 3.86Å; L298-V671 HydrophobicContact CD1-CG2 3.59Å
299	W	86.3	Confident	84.6	Confident	107 Å²	107	40.2 Å²	40.2	41%	0.405	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.2	179.3	61.6	85.6	0	0	0	114.1	Q297 S301 F668 Q669	Q297-W299 VanDerWaalsContact C-N 3.3Å; Q297-W299 HydrophobicContact CB-CD2 3.96Å; Q297-W299 HydrophobicContact CB-CE3 4.12Å; Q297-W299 HydrophobicContact CB-CH2 3.75Å; Q297-W299 HydrophobicContact CB-CZ2 3.6Å; Q297-W299 HydrophobicContact CB-CZ3 4.01Å; Q297-W299 HydrophobicContact CG-CH2 3.72Å; Q297-W299 HydrophobicContact CG-CZ2 3.56Å; Q297-W299 HydrophobicContact CG-CZ3 4.43Å; Q297-W299 PolarHBondContact O-N 3.49Å; W299-S301 PolarHBondContact O-N 3.14Å; W299-S301 VanDerWaalsContact O-N 3.09Å; W299-F668 HydrophobicContact CH2-CD1 4.14Å; W299-F668 AromaticContact CH2-CE1 3.5Å; W299-F668 HydrophobicContact CH2-CE1 3.5Å; W299-F668 VanDerWaalsContact CH2-CE1 3.5Å; W299-F668 HydrophobicContact CH2-CZ 4.17Å; W299-F668 HydrophobicContact CZ2-CE1 4.03Å; W299-F668 HydrophobicContact CZ2-CZ 4.33Å; W299-Q669 HydrophobicContact CE3-CB 4.33Å; W299-Q669 HydrophobicContact CH2-CB 4.35Å; W299-Q669 HydrophobicContact CZ3-CB 3.55Å; W299-Q669 VanDerWaalsContact CZ3-CD 3.41Å; W299-Q669 HydrophobicContact CZ3-CG 4.07Å; W299-Q669 VanDerWaalsContact CZ3-OE1 3.3Å
300	N	81.3	Confident	84.7	Confident	33 Å²	33	36.4 Å²	36.4	18%	0.176	19%	0.191	C	C	.	.			trans	-76.8	102.9	-177.6	-77.2	-9.3	0	0	0	110.9	R296 Q297 I306	R296-N300 HydrophobicContact CG-CB 3.79Å; Q297-N300 PolarHBondContact O-N 3.19Å; Q297-N300 VanDerWaalsContact O-N 3.15Å; N300-I306 WeakPolarHBondContact ND2-CD1 3.3Å; N300-I306 VanDerWaalsContact ND2-CG1 3.32Å; N300-I306 WeakPolarHBondContact ND2-CG1 3.5Å
301	S	66.6	Low	84.8	Confident	111 Å²	111	36.4 Å²	36.4	78%	0.776	19%	0.19	S	C	*	.			trans	-85.1	-19.3	176.9	64.9	0	0	0	0	113.6	W299	W299-S301 PolarHBondContact O-N 3.14Å; W299-S301 VanDerWaalsContact O-N 3.09Å
302	T	59.9	Low	84.8	Confident	95 Å²	95	36.4 Å²	36.4	58%	0.583	19%	0.19	S	C	*	.	S	Bend	trans	-135.9	152.5	-170.8	15.2	0	0	0	0	113.7
303	Y	56	Low	84.8	Confident	162 Å²	162	36.6 Å²	36.6	64%	0.635	19%	0.191	S	C	*	.			trans	-5.9	117.1	-175.3	-57.3	-83.9	0	0	0	120.9	S305	Y303-S305 PolarHBondContact O-N 3.27Å
304	L	60.3	Low	84.9	Confident	16 Å²	16	36.7 Å²	36.7	8%	0.084	19%	0.192	C	C	.	.	S	Bend	trans	31.4	-28.7	139.3	-67.6	155.1	0	0	0	123.2	D81 F294 I306 D307	D81-L304 HydrophobicContact CB-CB 4.44Å; D81-L304 WeakPolarHBondContact O-CD1 3.25Å; F294-L304 HydrophobicContact CD1-CD2 4.41Å; F294-L304 HydrophobicContact CG-CD2 4.31Å; L304-I306 PolarHBondContact O-N 3.49Å; L304-D307 PolarHBondContact O-N 2.84Å
305	S	64.5	Low	85.1	Confident	83 Å²	83	36.9 Å²	36.9	58%	0.58	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.5	-166.9	62.8	0	0	0	0	115	H265 Y303	H265-S305 PolarHBondContact NE2-O 3.09Å; Y303-S305 PolarHBondContact O-N 3.27Å
306	I	79.1	Confident	85.3	Confident	47 Å²	47	40.5 Å²	40.5	24%	0.241	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	14.5	177.2	63.9	165.4	0	0	0	114.8	H265 N300 L304	H265-I306 WeakPolarHBondContact NE2-CA 3.42Å; N300-I306 WeakPolarHBondContact ND2-CD1 3.3Å; N300-I306 VanDerWaalsContact ND2-CG1 3.32Å; N300-I306 WeakPolarHBondContact ND2-CG1 3.5Å; L304-I306 PolarHBondContact O-N 3.49Å
307	D	88.7	Confident	85.6	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.016	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-82.6	131.8	173.1	-63.8	-15.5	0	0	0	109.5	F294 R296 L304	F294-D307 HydrophobicContact CB-CB 4.04Å; F294-D307 HydrophobicContact CD1-CB 4.37Å; R296-D307 WeakPolarHBondContact CA-OD1 3.37Å; R296-D307 VanDerWaalsContact CB-OD1 3.26Å; R296-D307 WeakPolarHBondContact CB-OD1 3.26Å; R296-D307 VanDerWaalsContact CG-OD1 3.23Å; R296-D307 WeakPolarHBondContact CG-OD1 3.42Å; R296-D307 IonicContact CZ-OD2 3.61Å; R296-D307 IonicContact NE-OD1 3.52Å; R296-D307 PolarHBondContact NE-OD1 3.43Å; R296-D307 VanDerWaalsContact NE-OD1 3.15Å; R296-D307 IonicContact NE-OD2 2.77Å; R296-D307 PolarHBondContact NE-OD2 3.04Å; R296-D307 IonicContact NH2-OD2 3.43Å; R296-D307 PolarHBondContact NH2-OD2 3.25Å; L304-D307 PolarHBondContact O-N 2.84Å
308	A	91	Very high	85.9	Confident	1 Å²	1	40 Å²	40	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.5	-177.9	0	0	0	0	0	110.6	L272 W295 T310	L272-A308 HydrophobicContact CD1-CB 3.49Å; L272-A308 VanDerWaalsContact CD1-CB 3.49Å; L272-A308 HydrophobicContact CD2-CB 3.94Å; L272-A308 HydrophobicContact CG-CB 4.36Å; W295-A308 PolarHBondContact N-O 3.42Å; W295-A308 PolarHBondContact O-N 3.34Å; A308-T310 PolarHBondContact O-N 3.09Å; A308-T310 PolarHBondContact O-OG1 2.75Å; A308-T310 VanDerWaalsContact O-OG1 3.04Å
309	F	95.7	Very high	86.4	Confident	3 Å²	3	38.2 Å²	38.2	1%	0.013	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120.4	177.6	-175.3	-98.4	0	0	0	109.3	F80 K270 N271 L272 E292 F294 F432 L435 F446	F80-F309 HydrophobicContact CD1-CD2 4.39Å; F80-F309 HydrophobicContact CE1-CE2 4.45Å; K270-F309 PolarHBondContact O-N 3.28Å; N271-F309 CarbonylContact C-O 3.57Å; N271-F309 VanDerWaalsContact CA-O 3.3Å; N271-F309 WeakPolarHBondContact CA-O 3.43Å; L272-F309 PolarHBondContact N-O 3.42Å; E292-F309 HydrophobicContact CB-CE2 4.39Å; E292-F309 HydrophobicContact CB-CZ 3.87Å; E292-F309 HydrophobicContact CG-CZ 4.21Å; F294-F309 HydrophobicContact CD1-CB 4.44Å; F294-F309 HydrophobicContact CD1-CD2 4.28Å; F294-F309 HydrophobicContact CE1-CB 4.22Å; F294-F309 AromaticContact CE1-CD2 3.91Å; F294-F309 HydrophobicContact CE1-CD2 3.91Å; F294-F309 HydrophobicContact CE2-CD2 4.39Å; F294-F309 AromaticContact CZ-CD2 3.96Å; F294-F309 HydrophobicContact CZ-CD2 3.96Å; F309-F432 HydrophobicContact CD1-CD1 4.1Å; F309-F432 AromaticContact CD1-CE1 3.89Å; F309-F432 HydrophobicContact CD1-CE1 3.89Å; F309-F432 HydrophobicContact CE1-CD1 4.21Å; F309-F432 HydrophobicContact CE1-CE1 4Å; F309-L435 HydrophobicContact CE1-CD2 3.51Å; F309-L435 HydrophobicContact CZ-CD2 3.7Å; F309-F446 HydrophobicContact CE2-CB 4.26Å; F309-F446 HydrophobicContact CE2-CD1 4.08Å; F309-F446 AromaticContact CE2-CD2 3.58Å; F309-F446 HydrophobicContact CE2-CD2 3.58Å; F309-F446 HydrophobicContact CE2-CE1 4.31Å; F309-F446 AromaticContact CE2-CE2 3.81Å; F309-F446 HydrophobicContact CE2-CE2 3.81Å; F309-F446 AromaticContact CE2-CG 3.72Å; F309-F446 HydrophobicContact CE2-CG 3.72Å; F309-F446 HydrophobicContact CE2-CZ 4.17Å; F309-F446 HydrophobicContact CZ-CD1 4.32Å; F309-F446 HydrophobicContact CZ-CD2 4.21Å; F309-F446 HydrophobicContact CZ-CE1 4.13Å; F309-F446 AromaticContact CZ-CE2 3.99Å; F309-F446 HydrophobicContact CZ-CE2 3.99Å; F309-F446 HydrophobicContact CZ-CG 4.36Å; F309-F446 AromaticContact CZ-CZ 3.96Å; F309-F446 HydrophobicContact CZ-CZ 3.96Å
310	T	98.3	Very high	87	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.8	-167.4	-57.9	0	0	0	0	110.6	L272 I274 E292 F293 W295 A308	L272-T310 HydrophobicContact CB-CG2 4.16Å; L272-T310 CarbonylContact O-C 3.51Å; L272-T310 WeakPolarHBondContact O-CA 3.4Å; I274-T310 HydrophobicContact CD1-CG2 3.46Å; I274-T310 VanDerWaalsContact CD1-CG2 3.46Å; I274-T310 HydrophobicContact CG1-CG2 3.65Å; I274-T310 HydrophobicContact CG2-CG2 4.27Å; E292-T310 VanDerWaalsContact CA-O 3.31Å; E292-T310 WeakPolarHBondContact CA-O 3.32Å; F293-T310 HydrophobicContact CD2-CG2 4.49Å; F293-T310 HydrophobicContact CE1-CG2 4.29Å; F293-T310 HydrophobicContact CE2-CG2 3.71Å; F293-T310 HydrophobicContact CZ-CG2 3.58Å; F293-T310 PolarHBondContact N-O 2.83Å; F293-T310 PolarHBondContact O-N 3.09Å; W295-T310 WeakPolarHBondContact CB-OG1 3.45Å; W295-T310 HydrophobicContact CE3-CG2 4.18Å; A308-T310 PolarHBondContact O-N 3.09Å; A308-T310 PolarHBondContact O-OG1 2.75Å; A308-T310 VanDerWaalsContact O-OG1 3.04Å
311	H	98.8	Very high	87.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.4	169.5	-180	103.4	0	0	0	109.4	L272 A273 I274 E292 F313 Y378 Y431 F432	L272-H311 PolarHBondContact O-N 3.49Å; A273-H311 WeakPolarHBondContact CA-O 3.4Å; I274-H311 WeakPolarHBondContact CG1-O 3.2Å; I274-H311 PolarHBondContact N-O 2.93Å; E292-H311 IonicContact OE1-ND1 2.67Å; H311-F313 AromaticContact CD2-CD1 3.83Å; H311-F313 AromaticContact CD2-CE1 3.81Å; H311-F313 AromaticContact NE2-CD1 3.52Å; H311-F313 AromaticContact NE2-CE1 3.62Å; H311-Y378 AromaticContact CE1-CE1 3.3Å; H311-Y378 WeakPolarHBondContact CE1-CE1 3.43Å; H311-Y378 AromaticContact CE1-CZ 3.28Å; H311-Y378 PolarHBondContact CE1-OH 3.1Å; H311-Y378 VanDerWaalsContact CE1-OH 3.28Å; H311-Y378 AromaticContact ND1-CE1 3.72Å; H311-Y378 AromaticContact NE2-CE1 3.88Å; H311-Y378 AromaticContact NE2-CZ 3.58Å; H311-Y378 PolarHBondContact NE2-OH 3.35Å; H311-Y431 PolarHBondContact CE1-OH 3.26Å; H311-Y431 AromaticContact ND1-CE1 3.91Å; H311-Y431 AromaticContact ND1-CZ 3.6Å; H311-Y431 PolarHBondContact ND1-OH 2.89Å; H311-F432 HydrophobicContact CB-CE1 4.24Å; H311-F432 HydrophobicContact CB-CZ 4.19Å
312	L	98.8	Very high	89.3	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.6	170.3	174.8	59.1	0	0	0	109.9	I274 V277 K282 L285 L291 F293 Y378	I274-L312 HydrophobicContact CD1-CB 4.37Å; I274-L312 HydrophobicContact CD1-CD1 4.19Å; I274-L312 HydrophobicContact CG1-CB 4.12Å; I274-L312 HydrophobicContact CG1-CD1 3.94Å; V277-L312 HydrophobicContact CB-CD1 3.96Å; V277-L312 HydrophobicContact CB-CD2 4.24Å; V277-L312 HydrophobicContact CG1-CD2 4.28Å; V277-L312 HydrophobicContact CG2-CD1 3.54Å; V277-L312 HydrophobicContact CG2-CD2 4.18Å; K282-L312 HydrophobicContact CG-CD2 4.3Å; L285-L312 HydrophobicContact CD1-CD2 3.73Å; L291-L312 HydrophobicContact CD2-CB 4.17Å; L291-L312 HydrophobicContact CD2-CD2 3.88Å; L291-L312 HydrophobicContact CD2-CG 3.92Å; L291-L312 WeakPolarHBondContact O-CB 3.44Å; L291-L312 PolarHBondContact O-N 3.16Å; F293-L312 HydrophobicContact CE1-CB 4.05Å; L312-Y378 PolarHBondContact O-OH 2.67Å
313	F	98.8	Very high	91.2	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.018	12%	0.115	C	C	.	.			trans	-65.8	141.8	171.8	-69.2	-59.9	0	0	0	111	W249 I251 A273 I274 Q275 K282 H311 L384 P386	W249-F313 HydrophobicContact CH2-CE2 4.09Å; W249-F313 AromaticContact CH2-CZ 3.92Å; W249-F313 HydrophobicContact CH2-CZ 3.92Å; W249-F313 AromaticContact CZ3-CE2 3.89Å; W249-F313 HydrophobicContact CZ3-CE2 3.89Å; W249-F313 AromaticContact CZ3-CZ 3.63Å; W249-F313 HydrophobicContact CZ3-CZ 3.63Å; I251-F313 HydrophobicContact CG2-CE2 4.13Å; A273-F313 HydrophobicContact CB-CE2 4.13Å; A273-F313 HydrophobicContact CB-CZ 4.16Å; I274-F313 VanDerWaalsContact O-CD2 3.25Å; I274-F313 WeakPolarHBondContact O-CD2 3.48Å; I274-F313 PolarHBondContact O-N 3.23Å; Q275-F313 HydrophobicContact CB-CD2 4.17Å; K282-F313 PolarHBondContact NZ-O 3.21Å; H311-F313 AromaticContact CD2-CD1 3.83Å; H311-F313 AromaticContact CD2-CE1 3.81Å; H311-F313 AromaticContact NE2-CD1 3.52Å; H311-F313 AromaticContact NE2-CE1 3.62Å; F313-L384 HydrophobicContact CE1-CD2 3.66Å; F313-L384 HydrophobicContact CE1-CG 3.98Å; F313-L384 HydrophobicContact CZ-CD2 3.73Å; F313-L384 HydrophobicContact CZ-CG 4.37Å; F313-P386 HydrophobicContact CD1-CG 4.19Å; F313-P386 HydrophobicContact CE1-CG 3.44Å; F313-P386 VanDerWaalsContact CE1-CG 3.44Å; F313-P386 HydrophobicContact CE2-CG 4.34Å; F313-P386 HydrophobicContact CZ-CG 3.54Å
314	P	98.5	Very high	93.2	Very high	2 Å²	2	16 Å²	16	1%	0.013	9%	0.085	C	C	.	.			trans	-85.1	-21.8	-166.7	12.4	0.3	0	0	0	113.9	L291 H374 L377 Y378	L291-P314 HydrophobicContact CD1-CB 3.76Å; L291-P314 HydrophobicContact CD1-CG 4.27Å; P314-H374 WeakPolarHBondContact CG-NE2 3.39Å; P314-L377 HydrophobicContact CB-CD1 3.51Å; P314-L377 HydrophobicContact CG-CD1 3.77Å; P314-Y378 VanDerWaalsContact CD-OH 3.3Å; P314-Y378 WeakPolarHBondContact CD-OH 3.39Å; P314-Y378 HydrophobicContact CG-CE2 4.23Å
315	F	98.6	Very high	95	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.022	8%	0.082	C	C	.	.	S	Bend	trans	-106.2	-178.8	-162.6	-53.8	-52.6	0	0	0	112.6	W109 Q275 K282 H322 G325 P326 H374 L377	W109-F315 HydrophobicContact CD2-CD1 4.32Å; W109-F315 HydrophobicContact CD2-CE1 4.22Å; W109-F315 AromaticContact CE2-CD1 3.91Å; W109-F315 HydrophobicContact CZ2-CD1 4.29Å; W109-F315 HydrophobicContact CZ2-CE1 4.44Å; W109-F315 AromaticContact NE1-CD1 3.84Å; Q275-F315 PolarHBondContact NE2-O 2.72Å; K282-F315 PolarHBondContact NZ-O 2.77Å; F315-H322 HydrophobicContact CB-CB 4.17Å; F315-H322 WeakPolarHBondContact CB-O 3.38Å; F315-H322 WeakPolarHBondContact CD2-O 3.48Å; F315-G325 VanDerWaalsContact CZ-C 3.44Å; F315-P326 HydrophobicContact CE1-CB 3.98Å; F315-P326 HydrophobicContact CZ-CB 4.29Å; F315-H374 AromaticContact CE2-CD2 3.62Å; F315-H374 AromaticContact CE2-CE1 3.86Å; F315-H374 AromaticContact CE2-CG 3.8Å; F315-H374 AromaticContact CE2-ND1 3.91Å; F315-H374 AromaticContact CE2-NE2 3.66Å; F315-H374 HydrophobicContact CZ-CB 4.46Å; F315-H374 AromaticContact CZ-CD2 3.82Å; F315-L377 HydrophobicContact CE1-CD1 3.82Å; F315-L377 HydrophobicContact CZ-CD1 3.9Å
316	Y	98.1	Very high	96.6	Very high	81 Å²	81	11.8 Å²	11.8	32%	0.318	6%	0.057	S	C	.	.	S	Bend	trans	-66.4	-45.5	-169.4	174	-99.4	0	0	0	113.9	Q275 D458 R459	Q275-Y316 PolarHBondContact NE2-O 2.67Å; Y316-D458 WeakPolarHBondContact CD2-O 3.33Å; Y316-D458 HydrophobicContact CE2-CB 3.82Å; Y316-D458 WeakPolarHBondContact CE2-O 3.48Å; Y316-D458 PolarHBondContact OH-OD2 3.38Å; Y316-D458 VanDerWaalsContact OH-OD2 3.09Å; Y316-R459 HydrophobicContact CE2-CB 4.49Å
317	S	98.4	Very high	97.6	Very high	16 Å²	16	10.3 Å²	10.3	11%	0.112	5%	0.05	C	C	.	.			trans	-128.4	170.5	-175.4	-170.7	0	0	0	0	111.4	Q275 D319	Q275-S317 VanDerWaalsContact NE2-C 3.3Å; Q275-S317 PolarHBondContact NE2-O 2.82Å; S317-D319 PolarHBondContact OG-N 3.35Å
318	Y	98.5	Very high	98	Very high	10 Å²	10	10.9 Å²	10.9	4%	0.039	5%	0.054	C	C	.	.	S	Bend	trans	-92.3	0.2	169.3	56	-105.1	0	0	0	112.8	H138 I251 D252 Q275 T323 D390	H138-Y318 HydrophobicContact CB-CE2 4.25Å; I251-Y318 HydrophobicContact CB-CD1 3.94Å; I251-Y318 HydrophobicContact CB-CG 4.15Å; I251-Y318 HydrophobicContact CD1-CD1 4.1Å; I251-Y318 HydrophobicContact CD1-CD2 3.93Å; I251-Y318 HydrophobicContact CD1-CE1 4.48Å; I251-Y318 HydrophobicContact CD1-CE2 4.33Å; I251-Y318 HydrophobicContact CD1-CG 3.81Å; I251-Y318 HydrophobicContact CG1-CD1 4.24Å; I251-Y318 HydrophobicContact CG1-CG 4.39Å; I251-Y318 WeakPolarHBondContact O-CD1 3.4Å; D252-Y318 HydrophobicContact CB-CE1 4.06Å; D252-Y318 WeakPolarHBondContact OD1-CE1 3.27Å; Q275-Y318 HydrophobicContact CG-CD1 4.34Å; Y318-T323 WeakPolarHBondContact O-CG2 2.94Å; Y318-D390 VanDerWaalsContact CE2-OD1 3.28Å; Y318-D390 WeakPolarHBondContact CE2-OD1 3.35Å; Y318-D390 PolarHBondContact OH-OD1 3.35Å
319	D	98.4	Very high	98.3	Very high	24 Å²	24	11.3 Å²	11.3	13%	0.128	6%	0.057	C	C	.	.	S	Bend	trans	-68.1	161.5	176.3	70.2	3.6	0	0	0	112.3	S317 H322 T323 G388 D389	S317-D319 PolarHBondContact OG-N 3.35Å; D319-H322 CarbonylContact O-C 3.57Å; D319-H322 PolarHBondContact O-N 2.92Å; D319-H322 WeakPolarHBondContact OD1-CB 3.46Å; D319-H322 IonicContact OD1-CE1 3.19Å; D319-H322 IonicContact OD1-CG 2.72Å; D319-H322 PolarHBondContact OD1-N 3.16Å; D319-H322 IonicContact OD1-ND1 2.79Å; D319-H322 PolarHBondContact OD1-ND1 3.39Å; D319-H322 IonicContact OD2-CE1 3.93Å; D319-H322 IonicContact OD2-ND1 2.73Å; D319-H322 PolarHBondContact OD2-ND1 3.35Å; D319-T323 VanDerWaalsContact O-CG2 3.25Å; D319-T323 WeakPolarHBondContact O-CG2 3.45Å; D319-T323 PolarHBondContact O-N 3.17Å; D319-T323 PolarHBondContact O-OG1 3.39Å; D319-G388 WeakPolarHBondContact CA-O 3.49Å; D319-D389 HydrophobicContact CB-CB 4.39Å
320	I	98.5	Very high	98.5	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-54.7	-43.4	-179.9	-58.3	177.2	0	0	0	112.7	H322 T323 D335 L387 G388	I320-H322 PolarHBondContact O-N 3.28Å; I320-T323 VanDerWaalsContact CA-OG1 3.31Å; I320-T323 WeakPolarHBondContact CA-OG1 3.42Å; I320-T323 PolarHBondContact O-N 2.99Å; I320-T323 PolarHBondContact O-OG1 2.99Å; I320-D335 HydrophobicContact CB-CB 3.97Å; I320-D335 HydrophobicContact CD1-CB 3.99Å; I320-D335 HydrophobicContact CG2-CB 3.79Å; I320-L387 HydrophobicContact CD1-CD1 3.63Å; I320-L387 HydrophobicContact CD1-CG 4.23Å; I320-L387 HydrophobicContact CG1-CD1 3.91Å; I320-L387 HydrophobicContact CG2-CD1 4.04Å; I320-G388 WeakPolarHBondContact CG1-O 3.47Å; I320-G388 PolarHBondContact N-O 2.73Å
321	P	98.3	Very high	98.5	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-55.6	-30.3	174.4	-27.8	35.3	0	0	0	115.2	P328 C331 C332 W348	P321-P328 HydrophobicContact CB-CB 4.13Å; P321-P328 WeakPolarHBondContact O-CA 3.35Å; P321-P328 VanDerWaalsContact O-CB 3.28Å; P321-P328 WeakPolarHBondContact O-CB 3.14Å; P321-C331 WeakPolarHBondContact O-CB 3.38Å; P321-C332 HydrophobicContact CB-CB 4.19Å; P321-C332 HydrophobicContact CG-CB 3.95Å; P321-W348 HydrophobicContact CB-CH2 3.62Å; P321-W348 HydrophobicContact CB-CZ3 3.62Å; P321-W348 HydrophobicContact CG-CH2 4.25Å; P321-W348 HydrophobicContact CG-CZ3 3.94Å
322	H	98.7	Very high	98.4	Very high	33 Å²	33	12.2 Å²	12.2	15%	0.153	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-110.7	22.6	-177	-57.5	96	0	0	0	113.7	F315 D319 I320 W348	F315-H322 HydrophobicContact CB-CB 4.17Å; F315-H322 WeakPolarHBondContact CB-O 3.38Å; F315-H322 WeakPolarHBondContact CD2-O 3.48Å; D319-H322 CarbonylContact O-C 3.57Å; D319-H322 PolarHBondContact O-N 2.92Å; D319-H322 WeakPolarHBondContact OD1-CB 3.46Å; D319-H322 IonicContact OD1-CE1 3.19Å; D319-H322 IonicContact OD1-CG 2.72Å; D319-H322 PolarHBondContact OD1-N 3.16Å; D319-H322 IonicContact OD1-ND1 2.79Å; D319-H322 PolarHBondContact OD1-ND1 3.39Å; D319-H322 IonicContact OD2-CE1 3.93Å; D319-H322 IonicContact OD2-ND1 2.73Å; D319-H322 PolarHBondContact OD2-ND1 3.35Å; I320-H322 PolarHBondContact O-N 3.28Å; H322-W348 AromaticContact CE1-CH2 3.98Å
323	T	98.7	Very high	98.4	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.031	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-25.9	-178.3	44.9	0	0	0	0	113.8	Y318 D319 I320 H374 P386	Y318-T323 WeakPolarHBondContact O-CG2 2.94Å; D319-T323 VanDerWaalsContact O-CG2 3.25Å; D319-T323 WeakPolarHBondContact O-CG2 3.45Å; D319-T323 PolarHBondContact O-N 3.17Å; D319-T323 PolarHBondContact O-OG1 3.39Å; I320-T323 VanDerWaalsContact CA-OG1 3.31Å; I320-T323 WeakPolarHBondContact CA-OG1 3.42Å; I320-T323 PolarHBondContact O-N 2.99Å; I320-T323 PolarHBondContact O-OG1 2.99Å; T323-H374 PolarHBondContact O-CE1 3.1Å; T323-H374 VanDerWaalsContact O-CE1 3.25Å; T323-H374 PolarHBondContact O-ND1 3.42Å; T323-P386 WeakPolarHBondContact CB-O 3.44Å; T323-P386 HydrophobicContact CG2-CB 3.87Å; T323-P386 HydrophobicContact CG2-CG 3.94Å; T323-P386 PolarHBondContact OG1-O 2.84Å
324	C	98.3	Very high	98.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	7%	0.065	C	C	.	.	S	Bend	trans	-71.9	-29.9	179.1	109.5	0	0	0	0	113.2	C331 L367 Y371	C324-C331 VanDerWaalsContact C-SG 3.59Å; C324-C331 HydrophobicContact CB-CB 3.73Å; C324-C331 WeakPolarHBondContact CB-SG 3.38Å; C324-C331 WeakPolarHBondContact SG-CA 3.41Å; C324-C331 WeakPolarHBondContact SG-CB 3.42Å; C324-C331 CovalentContact SG-SG 2.03Å; C324-C331 PolarHBondContact SG-SG 3.34Å; C324-L367 HydrophobicContact CB-CD1 4.37Å; C324-Y371 HydrophobicContact CB-CE1 4.2Å; C324-Y371 VanDerWaalsContact O-CD1 3.29Å; C324-Y371 WeakPolarHBondContact O-CD1 3.35Å
325	G	98.5	Very high	98.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	6%	0.064	C	C	.	.			trans	167	-173.8	-175.7	0	0	0	0	0	112.9	F315 D327 C331	F315-G325 VanDerWaalsContact CZ-C 3.44Å; G325-D327 PolarHBondContact O-N 3.04Å; G325-C331 PolarHBondContact N-SG 3.2Å
326	P	98.5	Very high	98.3	Very high	10 Å²	10	12.7 Å²	12.7	7%	0.065	6%	0.064	C	C	.	.	S	Bend	trans	-72.7	-17.3	-169.2	27.3	-35.9	0	0	0	115.7	K108 W109 V115 F315 P328 Q370 K373	K108-P326 CarbonylContact C-O 3.59Å; W109-P326 WeakPolarHBondContact CA-O 3.37Å; W109-P326 HydrophobicContact CB-CB 3.83Å; W109-P326 WeakPolarHBondContact CB-O 3.18Å; W109-P326 HydrophobicContact CD2-CB 4.48Å; W109-P326 HydrophobicContact CE3-CB 4.4Å; W109-P326 HydrophobicContact CG-CB 4.3Å; W109-P326 PolarHBondContact N-O 3.33Å; V115-P326 HydrophobicContact CB-CG 4.45Å; V115-P326 HydrophobicContact CG2-CB 4.38Å; V115-P326 HydrophobicContact CG2-CG 4.43Å; F315-P326 HydrophobicContact CE1-CB 3.98Å; F315-P326 HydrophobicContact CZ-CB 4.29Å; P326-P328 VanDerWaalsContact O-CD 3.32Å; P326-P328 WeakPolarHBondContact O-CD 3.28Å; P326-Q370 VanDerWaalsContact CD-OE1 3.27Å; P326-K373 HydrophobicContact CG-CB 3.75Å; P326-K373 HydrophobicContact CG-CD 4.05Å
327	D	98.5	Very high	98.2	Very high	16 Å²	16	9.2 Å²	9.2	9%	0.086	5%	0.052	C	C	.	.			trans	-104.9	100.5	179.9	-169.4	-20.2	0	0	0	111.5	K108 G325 S329 I330 C331	K108-D327 HydrophobicContact CB-CB 4.04Å; K108-D327 WeakPolarHBondContact CD-OD2 3.28Å; K108-D327 WeakPolarHBondContact CG-OD2 3.44Å; G325-D327 PolarHBondContact O-N 3.04Å; D327-S329 PolarHBondContact O-N 3.35Å; D327-S329 WeakPolarHBondContact OD1-CA 3.33Å; D327-S329 VanDerWaalsContact OD1-CB 3.3Å; D327-S329 WeakPolarHBondContact OD1-CB 3.36Å; D327-S329 PolarHBondContact OD1-N 3.35Å; D327-S329 PolarHBondContact OD1-OG 3.02Å; D327-S329 PolarHBondContact OD2-OG 2.81Å; D327-I330 HydrophobicContact CB-CB 4.25Å; D327-I330 HydrophobicContact CB-CD1 3.99Å; D327-I330 HydrophobicContact CB-CG1 4.24Å; D327-I330 PolarHBondContact O-N 2.86Å; D327-C331 PolarHBondContact O-N 3.39Å
328	P	98.2	Very high	98	Very high	14 Å²	14	10.2 Å²	10.2	9%	0.091	5%	0.053	C	C	.	.	H	α-helix	trans	-69.5	-20.3	-177.6	31.1	-37.8	0	0	0	113.2	P321 P326 I330 C332 W348	P321-P328 HydrophobicContact CB-CB 4.13Å; P321-P328 WeakPolarHBondContact O-CA 3.35Å; P321-P328 VanDerWaalsContact O-CB 3.28Å; P321-P328 WeakPolarHBondContact O-CB 3.14Å; P326-P328 VanDerWaalsContact O-CD 3.32Å; P326-P328 WeakPolarHBondContact O-CD 3.28Å; P328-I330 PolarHBondContact O-N 3.36Å; P328-C332 WeakPolarHBondContact O-CB 3.19Å; P328-C332 PolarHBondContact O-N 2.99Å; P328-W348 HydrophobicContact CB-CH2 3.65Å; P328-W348 HydrophobicContact CB-CZ2 3.44Å; P328-W348 VanDerWaalsContact CB-CZ2 3.44Å; P328-W348 HydrophobicContact CB-CZ3 4.24Å; P328-W348 HydrophobicContact CG-CH2 4.34Å; P328-W348 HydrophobicContact CG-CZ2 3.62Å
329	S	97.7	Very high	97.7	Very high	11 Å²	11	13 Å²	13	8%	0.077	6%	0.064	C	C	.	.	H	α-helix	trans	-68.6	-26.7	173.2	75.4	0	0	0	0	112.6	D327 Q333 W348	D327-S329 PolarHBondContact O-N 3.35Å; D327-S329 WeakPolarHBondContact OD1-CA 3.33Å; D327-S329 VanDerWaalsContact OD1-CB 3.3Å; D327-S329 WeakPolarHBondContact OD1-CB 3.36Å; D327-S329 PolarHBondContact OD1-N 3.35Å; D327-S329 PolarHBondContact OD1-OG 3.02Å; D327-S329 PolarHBondContact OD2-OG 2.81Å; S329-Q333 WeakPolarHBondContact O-CG 3.46Å; S329-Q333 PolarHBondContact O-NE2 3.31Å; S329-W348 VanDerWaalsContact CB-CB 3.48Å
330	I	98.3	Very high	97.3	Very high	22 Å²	22	20.6 Å²	20.6	11%	0.113	10%	0.096	C	C	.	.	H	α-helix	trans	-84.4	-51.2	172.4	-68.7	171.2	0	0	0	109.9	D327 P328 C332 Q333 F334 L366 Q370	D327-I330 HydrophobicContact CB-CB 4.25Å; D327-I330 HydrophobicContact CB-CD1 3.99Å; D327-I330 HydrophobicContact CB-CG1 4.24Å; D327-I330 PolarHBondContact O-N 2.86Å; P328-I330 PolarHBondContact O-N 3.36Å; I330-C332 VanDerWaalsContact C-N 3.28Å; I330-C332 PolarHBondContact O-N 3.42Å; I330-Q333 VanDerWaalsContact O-CB 3.3Å; I330-Q333 WeakPolarHBondContact O-CB 3.15Å; I330-Q333 PolarHBondContact O-N 3.26Å; I330-F334 HydrophobicContact CG2-CD2 4.48Å; I330-F334 HydrophobicContact CG2-CE2 3.87Å; I330-F334 WeakPolarHBondContact O-CD2 3.45Å; I330-L366 HydrophobicContact CD1-CD1 3.78Å; I330-L366 HydrophobicContact CD1-CG 4.48Å; I330-L366 HydrophobicContact CG1-CD1 4.23Å; I330-L366 HydrophobicContact CG1-CD2 4.48Å; I330-L366 HydrophobicContact CG2-CD1 4.09Å; I330-L366 HydrophobicContact CG2-CD2 3.8Å; I330-L366 HydrophobicContact CG2-CG 3.59Å; I330-Q370 HydrophobicContact CB-CG 4.21Å; I330-Q370 HydrophobicContact CG2-CG 3.58Å
331	C	98.6	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.5	-36.6	-176.1	-68.3	0	0	0	0	113.3	P321 C324 G325 D327 Q333 F334	P321-C331 WeakPolarHBondContact O-CB 3.38Å; C324-C331 VanDerWaalsContact C-SG 3.59Å; C324-C331 HydrophobicContact CB-CB 3.73Å; C324-C331 WeakPolarHBondContact CB-SG 3.38Å; C324-C331 WeakPolarHBondContact SG-CA 3.41Å; C324-C331 WeakPolarHBondContact SG-CB 3.42Å; C324-C331 CovalentContact SG-SG 2.03Å; C324-C331 PolarHBondContact SG-SG 3.34Å; G325-C331 PolarHBondContact N-SG 3.2Å; D327-C331 PolarHBondContact O-N 3.39Å; C331-Q333 PolarHBondContact O-N 3.5Å; C331-Q333 VanDerWaalsContact O-N 3.16Å; C331-F334 PolarHBondContact O-N 2.78Å
332	C	98.2	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.5	176.1	-166	0	0	0	0	113.2	P321 P328 I330 F334 D335 R338 C346 W348	P321-C332 HydrophobicContact CB-CB 4.19Å; P321-C332 HydrophobicContact CG-CB 3.95Å; P328-C332 WeakPolarHBondContact O-CB 3.19Å; P328-C332 PolarHBondContact O-N 2.99Å; I330-C332 VanDerWaalsContact C-N 3.28Å; I330-C332 PolarHBondContact O-N 3.42Å; C332-F334 PolarHBondContact O-N 3.21Å; C332-D335 PolarHBondContact O-N 2.81Å; C332-D335 VanDerWaalsContact O-N 3.12Å; C332-R338 WeakPolarHBondContact SG-CD 3.48Å; C332-C346 HydrophobicContact CB-CB 3.92Å; C332-C346 WeakPolarHBondContact CB-SG 3.49Å; C332-C346 PolarHBondContact O-SG 2.8Å; C332-C346 WeakPolarHBondContact SG-CA 3.33Å; C332-C346 WeakPolarHBondContact SG-CB 3.5Å; C332-C346 CovalentContact SG-SG 2.04Å; C332-C346 PolarHBondContact SG-SG 3.35Å; C332-W348 HydrophobicContact CB-CE3 3.68Å; C332-W348 HydrophobicContact CB-CZ3 3.67Å
333	Q	98.1	Very high	95.5	Very high	18 Å²	18	29 Å²	29	8%	0.084	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-72.9	-6.2	177.3	-55.6	169.9	39.5	0	0	113.3	S329 I330 C331 F350 A352	S329-Q333 WeakPolarHBondContact O-CG 3.46Å; S329-Q333 PolarHBondContact O-NE2 3.31Å; I330-Q333 VanDerWaalsContact O-CB 3.3Å; I330-Q333 WeakPolarHBondContact O-CB 3.15Å; I330-Q333 PolarHBondContact O-N 3.26Å; C331-Q333 PolarHBondContact O-N 3.5Å; C331-Q333 VanDerWaalsContact O-N 3.16Å; Q333-F350 HydrophobicContact CG-CB 3.83Å; Q333-F350 WeakPolarHBondContact CG-O 3.4Å; Q333-A352 WeakPolarHBondContact O-CA 3.15Å; Q333-A352 WeakPolarHBondContact O-CB 3.49Å
334	F	98.4	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-107.6	1.7	173.2	-61.1	-83	0	0	0	112.4	I330 C331 C332 F336 R363 L366 L367 Y406 L409	I330-F334 HydrophobicContact CG2-CD2 4.48Å; I330-F334 HydrophobicContact CG2-CE2 3.87Å; I330-F334 WeakPolarHBondContact O-CD2 3.45Å; C331-F334 PolarHBondContact O-N 2.78Å; C332-F334 PolarHBondContact O-N 3.21Å; F334-F336 HydrophobicContact CD1-CZ 4.17Å; F334-F336 WeakPolarHBondContact O-CD2 3.39Å; F334-F336 WeakPolarHBondContact O-CE2 3.16Å; F334-F336 PolarHBondContact O-N 2.66Å; F334-R363 HydrophobicContact CE1-CB 4.36Å; F334-R363 VanDerWaalsContact CZ-NH2 3.26Å; F334-R363 VanDerWaalsContact CZ-O 3.3Å; F334-R363 WeakPolarHBondContact CZ-O 3.5Å; F334-L366 HydrophobicContact CE2-CD2 4.32Å; F334-L366 HydrophobicContact CE2-CG 4.47Å; F334-L366 HydrophobicContact CZ-CB 4.35Å; F334-L366 HydrophobicContact CZ-CD2 4.39Å; F334-L367 HydrophobicContact CD1-CB 4.27Å; F334-L367 HydrophobicContact CD1-CD1 4.17Å; F334-L367 HydrophobicContact CD1-CD2 3.99Å; F334-L367 HydrophobicContact CD1-CG 4.38Å; F334-L367 HydrophobicContact CD2-CD1 3.93Å; F334-L367 HydrophobicContact CE1-CB 3.7Å; F334-L367 HydrophobicContact CE1-CD1 4.4Å; F334-L367 HydrophobicContact CE1-CD2 4.13Å; F334-L367 HydrophobicContact CE1-CG 4.29Å; F334-L367 HydrophobicContact CE2-CB 4.08Å; F334-L367 HydrophobicContact CE2-CD1 4.16Å; F334-L367 HydrophobicContact CG-CD1 3.94Å; F334-L367 HydrophobicContact CZ-CB 3.6Å; F334-L367 HydrophobicContact CZ-CD1 4.4Å; F334-L367 HydrophobicContact CZ-CG 4.45Å; F334-Y406 WeakPolarHBondContact O-CE2 3.4Å; F334-Y406 PolarHBondContact O-OH 3.47Å; F334-Y406 VanDerWaalsContact O-OH 3.06Å; F334-L409 HydrophobicContact CD1-CD1 4Å; F334-L409 HydrophobicContact CE1-CD1 4.09Å
335	D	98	Very high	94.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.221	C	C	.	.			trans	-80.9	93	160	-175.4	-5.3	0	0	0	108.7	I320 C332 A337 R338 A352 R392 Q402	I320-D335 HydrophobicContact CB-CB 3.97Å; I320-D335 HydrophobicContact CD1-CB 3.99Å; I320-D335 HydrophobicContact CG2-CB 3.79Å; C332-D335 PolarHBondContact O-N 2.81Å; C332-D335 VanDerWaalsContact O-N 3.12Å; D335-A337 PolarHBondContact O-N 2.97Å; D335-A337 WeakPolarHBondContact OD1-CB 3.34Å; D335-A337 PolarHBondContact OD1-N 3.47Å; D335-A337 VanDerWaalsContact OD1-N 3.15Å; D335-R338 HydrophobicContact CB-CB 4.39Å; D335-R338 HydrophobicContact CB-CG 4.14Å; D335-R338 WeakPolarHBondContact O-CB 3.32Å; D335-R338 PolarHBondContact O-N 2.94Å; D335-R338 VanDerWaalsContact OD2-CD 3.24Å; D335-R338 WeakPolarHBondContact OD2-CD 3.47Å; D335-R338 WeakPolarHBondContact OD2-CG 3.42Å; D335-R338 IonicContact OD2-CZ 3.94Å; D335-R338 IonicContact OD2-NE 2.73Å; D335-R338 PolarHBondContact OD2-NE 2.82Å; D335-A352 WeakPolarHBondContact O-CB 3.31Å; D335-R392 IonicContact OD1-NH2 2.62Å; D335-Q402 PolarHBondContact OD1-NE2 3.29Å
336	F	97.4	Very high	94.4	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.5	-175.2	-61.7	-73	0	0	0	113.9	F334 R338 Y339 A352 Q353 I355 L401 Q402 N405 Y406 L409	F334-F336 HydrophobicContact CD1-CZ 4.17Å; F334-F336 WeakPolarHBondContact O-CD2 3.39Å; F334-F336 WeakPolarHBondContact O-CE2 3.16Å; F334-F336 PolarHBondContact O-N 2.66Å; F336-R338 VanDerWaalsContact C-N 3.35Å; F336-Y339 WeakPolarHBondContact O-CD1 3.42Å; F336-A352 HydrophobicContact CD1-CB 4.39Å; F336-Q353 WeakPolarHBondContact CE1-O 3.24Å; F336-I355 HydrophobicContact CE1-CD1 4.06Å; F336-I355 HydrophobicContact CE1-CG1 3.83Å; F336-I355 HydrophobicContact CZ-CD1 4.15Å; F336-I355 HydrophobicContact CZ-CG1 3.82Å; F336-L401 HydrophobicContact CB-CB 4.33Å; F336-L401 WeakPolarHBondContact CB-O 3.47Å; F336-Q402 VanDerWaalsContact N-OE1 3.16Å; F336-N405 HydrophobicContact CD1-CB 3.77Å; F336-N405 HydrophobicContact CD2-CB 3.58Å; F336-N405 HydrophobicContact CE1-CB 3.61Å; F336-N405 HydrophobicContact CE2-CB 3.41Å; F336-N405 VanDerWaalsContact CE2-CB 3.41Å; F336-N405 HydrophobicContact CG-CB 3.76Å; F336-N405 HydrophobicContact CZ-CB 3.44Å; F336-N405 VanDerWaalsContact CZ-CB 3.44Å; F336-Y406 AromaticContact CD2-CD2 3.84Å; F336-Y406 HydrophobicContact CD2-CD2 3.84Å; F336-Y406 AromaticContact CD2-CE2 3.75Å; F336-Y406 HydrophobicContact CD2-CE2 3.75Å; F336-Y406 AromaticContact CE2-CD2 3.61Å; F336-Y406 HydrophobicContact CE2-CD2 3.61Å; F336-Y406 AromaticContact CE2-CE2 3.57Å; F336-Y406 HydrophobicContact CE2-CE2 3.57Å; F336-Y406 HydrophobicContact CE2-CG 4.19Å; F336-L409 HydrophobicContact CE2-CD1 4.47Å; F336-L409 HydrophobicContact CZ-CD1 4Å
337	A	95.2	Very high	94.3	Very high	9 Å²	9	42.4 Å²	42.4	7%	0.074	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.3	165.9	0	0	0	0	0	113.2	D335 Y339 S342 E398	D335-A337 PolarHBondContact O-N 2.97Å; D335-A337 WeakPolarHBondContact OD1-CB 3.34Å; D335-A337 PolarHBondContact OD1-N 3.47Å; D335-A337 VanDerWaalsContact OD1-N 3.15Å; A337-Y339 PolarHBondContact O-N 3.16Å; A337-S342 WeakPolarHBondContact O-CB 3.33Å; A337-S342 PolarHBondContact O-OG 3.41Å; A337-E398 HydrophobicContact CB-CG 4.48Å
338	R	95.9	Very high	94.2	Very high	37 Å²	37	45.9 Å²	45.9	14%	0.14	26%	0.262	C	S	.	.	S	Bend	trans	-97.3	36.5	-179.9	-62.1	179.8	-172.1	-113.7	5.4	113.2	C332 D335 F336 F344 S345 A352 D389	C332-R338 WeakPolarHBondContact SG-CD 3.48Å; D335-R338 HydrophobicContact CB-CB 4.39Å; D335-R338 HydrophobicContact CB-CG 4.14Å; D335-R338 WeakPolarHBondContact O-CB 3.32Å; D335-R338 PolarHBondContact O-N 2.94Å; D335-R338 VanDerWaalsContact OD2-CD 3.24Å; D335-R338 WeakPolarHBondContact OD2-CD 3.47Å; D335-R338 WeakPolarHBondContact OD2-CG 3.42Å; D335-R338 IonicContact OD2-CZ 3.94Å; D335-R338 IonicContact OD2-NE 2.73Å; D335-R338 PolarHBondContact OD2-NE 2.82Å; F336-R338 VanDerWaalsContact C-N 3.35Å; R338-F344 WeakPolarHBondContact CA-O 3.33Å; R338-F344 HydrophobicContact CG-CB 3.7Å; R338-S345 PolarHBondContact NH1-O 2.82Å; R338-A352 PolarHBondContact O-N 3.15Å; R338-D389 IonicContact NH2-OD2 2.64Å; R338-D389 PolarHBondContact NH2-OD2 3.37Å
339	Y	90.9	Very high	93.9	Very high	69 Å²	69	48.1 Å²	48.1	27%	0.271	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-73.1	161.3	176	70.4	-90.9	0	0	0	111.4	F336 A337 G341 S342 K397 L401	F336-Y339 WeakPolarHBondContact O-CD1 3.42Å; A337-Y339 PolarHBondContact O-N 3.16Å; Y339-G341 PolarHBondContact O-N 3.32Å; Y339-G341 VanDerWaalsContact O-N 3.15Å; Y339-S342 PolarHBondContact N-OG 3.06Å; Y339-S342 VanDerWaalsContact O-CB 3.32Å; Y339-S342 WeakPolarHBondContact O-CB 3.4Å; Y339-S342 PolarHBondContact O-N 3.44Å; Y339-S342 PolarHBondContact O-OG 3.28Å; Y339-K397 PolarHBondContact OH-NZ 3.42Å; Y339-L401 HydrophobicContact CD1-CD1 4.37Å; Y339-L401 HydrophobicContact CE1-CD1 4.02Å
340	K	90.4	Very high	93.8	Very high	183 Å²	183	53.1 Å²	53.1	80%	0.796	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	118.8	179.5	-172.8	177.6	-179.2	178.8	0	111.2	P351	K340-P351 HydrophobicContact CB-CB 4.38Å; K340-P351 HydrophobicContact CB-CG 4.19Å
341	G	86.3	Confident	93.7	Very high	77 Å²	77	54.4 Å²	54.4	79%	0.794	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	4.8	-178.6	0	0	0	0	0	115	Y339	Y339-G341 PolarHBondContact O-N 3.32Å; Y339-G341 VanDerWaalsContact O-N 3.15Å
342	S	87.7	Confident	93.6	Very high	27 Å²	27	54.7 Å²	54.7	19%	0.189	32%	0.32	C	S	.	.	S	Bend	trans	-74.7	169.6	166	68.7	0	0	0	0	111.5	A337 Y339 F344	A337-S342 WeakPolarHBondContact O-CB 3.33Å; A337-S342 PolarHBondContact O-OG 3.41Å; Y339-S342 PolarHBondContact N-OG 3.06Å; Y339-S342 VanDerWaalsContact O-CB 3.32Å; Y339-S342 WeakPolarHBondContact O-CB 3.4Å; Y339-S342 PolarHBondContact O-N 3.44Å; Y339-S342 PolarHBondContact O-OG 3.28Å; S342-F344 PolarHBondContact O-N 3.01Å; S342-F344 PolarHBondContact OG-N 3.33Å; S342-F344 PolarHBondContact OG-O 3.45Å
343	S	82.8	Confident	93.5	Very high	108 Å²	108	59 Å²	59	76%	0.755	34%	0.34	S	S	*	.	S	Bend	trans	-69.1	-17.1	174.2	50	0	0	0	0	113.4
344	F	86.9	Confident	93.4	Very high	100 Å²	100	62.6 Å²	62.6	44%	0.439	36%	0.359	S	S	.	.			trans	-112.4	127.5	-177.4	-55.6	-74.4	0	0	0	109.8	R338 S342	R338-F344 WeakPolarHBondContact CA-O 3.33Å; R338-F344 HydrophobicContact CG-CB 3.7Å; S342-F344 PolarHBondContact O-N 3.01Å; S342-F344 PolarHBondContact OG-N 3.33Å; S342-F344 PolarHBondContact OG-O 3.45Å
345	S	91.8	Very high	93.4	Very high	93 Å²	93	62.7 Å²	62.7	65%	0.65	36%	0.36	S	S	*	.			trans	-104.8	154.9	175.5	56.2	0	0	0	0	111.6	R338 P347	R338-S345 PolarHBondContact NH1-O 2.82Å; S345-P347 WeakPolarHBondContact O-CD 3.3Å
346	C	95.3	Very high	93.3	Very high	10 Å²	10	66.1 Å²	66.1	7%	0.068	38%	0.378	C	S	.	.			trans	-80.7	118.1	162.9	-75.4	0	0	0	0	109.9	C332 W348 G349 F350	C332-C346 HydrophobicContact CB-CB 3.92Å; C332-C346 WeakPolarHBondContact CB-SG 3.49Å; C332-C346 PolarHBondContact O-SG 2.8Å; C332-C346 WeakPolarHBondContact SG-CA 3.33Å; C332-C346 WeakPolarHBondContact SG-CB 3.5Å; C332-C346 CovalentContact SG-SG 2.04Å; C332-C346 PolarHBondContact SG-SG 3.35Å; C346-W348 PolarHBondContact O-N 3.17Å; C346-W348 VanDerWaalsContact O-N 3.12Å; C346-G349 PolarHBondContact O-N 3.12Å; C346-G349 VanDerWaalsContact O-N 3.08Å; C346-F350 WeakPolarHBondContact CB-O 3.48Å; C346-F350 PolarHBondContact SG-O 2.84Å; C346-F350 VanDerWaalsContact SG-O 3.38Å
347	P	95.2	Very high	93.2	Very high	94 Å²	94	75.1 Å²	75.1	61%	0.61	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.1	-177.2	24.7	-33.1	0	0	0	113.1	S345 G349	S345-P347 WeakPolarHBondContact O-CD 3.3Å; P347-G349 VanDerWaalsContact C-N 3.27Å; P347-G349 PolarHBondContact O-N 3.13Å
348	W	96.4	Very high	93.3	Very high	90 Å²	90	80 Å²	80	34%	0.341	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3	175.8	-56.1	-85	0	0	0	114.8	P321 H322 P328 S329 C332 C346 F350	P321-W348 HydrophobicContact CB-CH2 3.62Å; P321-W348 HydrophobicContact CB-CZ3 3.62Å; P321-W348 HydrophobicContact CG-CH2 4.25Å; P321-W348 HydrophobicContact CG-CZ3 3.94Å; H322-W348 AromaticContact CE1-CH2 3.98Å; P328-W348 HydrophobicContact CB-CH2 3.65Å; P328-W348 HydrophobicContact CB-CZ2 3.44Å; P328-W348 VanDerWaalsContact CB-CZ2 3.44Å; P328-W348 HydrophobicContact CB-CZ3 4.24Å; P328-W348 HydrophobicContact CG-CH2 4.34Å; P328-W348 HydrophobicContact CG-CZ2 3.62Å; S329-W348 VanDerWaalsContact CB-CB 3.48Å; C332-W348 HydrophobicContact CB-CE3 3.68Å; C332-W348 HydrophobicContact CB-CZ3 3.67Å; C346-W348 PolarHBondContact O-N 3.17Å; C346-W348 VanDerWaalsContact O-N 3.12Å; W348-F350 VanDerWaalsContact C-N 3.34Å; W348-F350 HydrophobicContact CB-CD2 4.5Å; W348-F350 WeakPolarHBondContact O-CD2 3.31Å; W348-F350 WeakPolarHBondContact O-CE2 3.4Å; W348-F350 PolarHBondContact O-N 3.47Å
349	G	93.6	Very high	93.4	Very high	60 Å²	60	79 Å²	79	62%	0.619	45%	0.451	S	S	*	.	S	Bend	trans	84.3	-1.3	174.2	0	0	0	0	0	115.8	C346 P347	C346-G349 PolarHBondContact O-N 3.12Å; C346-G349 VanDerWaalsContact O-N 3.08Å; P347-G349 VanDerWaalsContact C-N 3.27Å; P347-G349 PolarHBondContact O-N 3.13Å
350	F	95.1	Very high	93.8	Very high	116 Å²	116	77.1 Å²	77.1	51%	0.509	45%	0.446	S	S	.	.			trans	-112.8	100.4	178.5	-55.2	-75.4	0	0	0	110.1	Q333 C346 W348	Q333-F350 HydrophobicContact CG-CB 3.83Å; Q333-F350 WeakPolarHBondContact CG-O 3.4Å; C346-F350 WeakPolarHBondContact CB-O 3.48Å; C346-F350 PolarHBondContact SG-O 2.84Å; C346-F350 VanDerWaalsContact SG-O 3.38Å; W348-F350 VanDerWaalsContact C-N 3.34Å; W348-F350 HydrophobicContact CB-CD2 4.5Å; W348-F350 WeakPolarHBondContact O-CD2 3.31Å; W348-F350 WeakPolarHBondContact O-CE2 3.4Å; W348-F350 PolarHBondContact O-N 3.47Å
351	P	95.9	Very high	94.2	Very high	49 Å²	49	73.4 Å²	73.4	32%	0.318	43%	0.434	S	S	.	.			trans	-73	163.3	179.5	31.1	-35.2	0	0	0	111.8	K340	K340-P351 HydrophobicContact CB-CB 4.38Å; K340-P351 HydrophobicContact CB-CG 4.19Å
352	A	97	Very high	94.7	Very high	7 Å²	7	75.8 Å²	75.8	6%	0.058	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-63.9	142.2	172.9	0	0	0	0	0	112	Q333 D335 F336 R338	Q333-A352 WeakPolarHBondContact O-CA 3.15Å; Q333-A352 WeakPolarHBondContact O-CB 3.49Å; D335-A352 WeakPolarHBondContact O-CB 3.31Å; F336-A352 HydrophobicContact CD1-CB 4.39Å; R338-A352 PolarHBondContact O-N 3.15Å
353	Q	95	Very high	95.3	Very high	90 Å²	90	74.6 Å²	74.6	42%	0.421	42%	0.416	S	S	.	.			trans	-113.1	130.9	178.1	-59.8	-177.3	27	0	0	109	F336	F336-Q353 WeakPolarHBondContact CE1-O 3.24Å
354	L	96.1	Very high	96	Very high	93 Å²	93	69.5 Å²	69.5	49%	0.487	38%	0.38	S	S	.	.			trans	-64	143.1	175.7	-61.6	178.2	0	0	0	110.2	N359 L401	L354-N359 PolarHBondContact O-ND2 3.3Å; L354-L401 HydrophobicContact CD2-CD2 3.82Å
355	I	98.1	Very high	96.5	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.015	38%	0.376	C	S	.	.			trans	-88.7	124.2	-174.9	-53.4	-56.7	0	0	0	109.8	F336 I360 R363 N405 K408 L409	F336-I355 HydrophobicContact CE1-CD1 4.06Å; F336-I355 HydrophobicContact CE1-CG1 3.83Å; F336-I355 HydrophobicContact CZ-CD1 4.15Å; F336-I355 HydrophobicContact CZ-CG1 3.82Å; I355-I360 HydrophobicContact CG2-CB 4.34Å; I355-I360 HydrophobicContact CG2-CD1 4.36Å; I355-I360 HydrophobicContact CG2-CG1 4.09Å; I355-R363 HydrophobicContact CD1-CB 3.74Å; I355-R363 HydrophobicContact CD1-CG 3.78Å; I355-N405 HydrophobicContact CB-CB 4.37Å; I355-N405 WeakPolarHBondContact CB-OD1 3.34Å; I355-N405 HydrophobicContact CG1-CB 3.88Å; I355-N405 PolarHBondContact N-OD1 2.95Å; I355-K408 HydrophobicContact CB-CD 4.31Å; I355-K408 HydrophobicContact CG2-CB 3.98Å; I355-K408 HydrophobicContact CG2-CD 4.21Å; I355-K408 WeakPolarHBondContact O-CD 3.47Å; I355-K408 PolarHBondContact O-NZ 3Å; I355-L409 HydrophobicContact CD1-CD1 4.15Å; I355-L409 HydrophobicContact CD1-CD2 4Å; I355-L409 HydrophobicContact CD1-CG 4.25Å; I355-L409 HydrophobicContact CG1-CD1 4Å; I355-L409 HydrophobicContact CG1-CD2 4.19Å; I355-L409 HydrophobicContact CG1-CG 3.96Å; I355-L409 HydrophobicContact CG2-CD2 4.09Å; I355-L409 HydrophobicContact CG2-CG 4.2Å
356	D	96.8	Very high	96.8	Very high	72 Å²	72	64.9 Å²	64.9	39%	0.385	36%	0.356	S	S	.	.			trans	-141.6	176.9	176	63.6	42.4	0	0	0	110.5	S358 N359 I360	D356-S358 PolarHBondContact O-N 3.01Å; D356-S358 VanDerWaalsContact O-N 3.17Å; D356-S358 WeakPolarHBondContact OD1-CA 3.06Å; D356-S358 VanDerWaalsContact OD1-CB 3.29Å; D356-S358 WeakPolarHBondContact OD1-CB 3.22Å; D356-S358 PolarHBondContact OD1-N 2.87Å; D356-S358 PolarHBondContact OD1-OG 3.49Å; D356-N359 PolarHBondContact N-OD1 3.2Å; D356-N359 VanDerWaalsContact N-OD1 3.11Å; D356-N359 PolarHBondContact O-N 2.8Å; D356-N359 PolarHBondContact O-OD1 3.01Å; D356-N359 PolarHBondContact OD1-N 2.91Å; D356-I360 VanDerWaalsContact O-CB 3.31Å; D356-I360 WeakPolarHBondContact O-CB 3.3Å; D356-I360 PolarHBondContact O-N 3.38Å
357	E	95.9	Very high	97	Very high	191 Å²	191	64.4 Å²	64.4	89%	0.893	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.6	-177.3	-63.5	178.3	-178.1	0	0	113.4
358	S	97.4	Very high	97.1	Very high	110 Å²	110	60.1 Å²	60.1	77%	0.769	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-27.9	-176.7	77.9	0	0	0	0	113	D356	D356-S358 PolarHBondContact O-N 3.01Å; D356-S358 VanDerWaalsContact O-N 3.17Å; D356-S358 WeakPolarHBondContact OD1-CA 3.06Å; D356-S358 VanDerWaalsContact OD1-CB 3.29Å; D356-S358 WeakPolarHBondContact OD1-CB 3.22Å; D356-S358 PolarHBondContact OD1-N 2.87Å; D356-S358 PolarHBondContact OD1-OG 3.49Å
359	N	98	Very high	97.2	Very high	17 Å²	17	57.6 Å²	57.6	9%	0.091	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-10.5	-176.1	71.4	18.6	0	0	0	114.4	L354 D356 L361 E362 R363	L354-N359 PolarHBondContact O-ND2 3.3Å; D356-N359 PolarHBondContact N-OD1 3.2Å; D356-N359 VanDerWaalsContact N-OD1 3.11Å; D356-N359 PolarHBondContact O-N 2.8Å; D356-N359 PolarHBondContact O-OD1 3.01Å; D356-N359 PolarHBondContact OD1-N 2.91Å; N359-L361 VanDerWaalsContact C-N 3.29Å; N359-L361 PolarHBondContact O-N 3.22Å; N359-L361 VanDerWaalsContact O-N 3.13Å; N359-E362 PolarHBondContact O-N 3.39Å; N359-E362 VanDerWaalsContact O-N 3.09Å; N359-R363 HydrophobicContact CB-CG 3.94Å; N359-R363 VanDerWaalsContact O-CG 3.31Å; N359-R363 WeakPolarHBondContact O-CG 3.44Å; N359-R363 PolarHBondContact O-N 3.16Å
360	I	98.3	Very high	97.5	Very high	30 Å²	30	54.8 Å²	54.8	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-53.4	-40.9	-170.4	-164.8	164.2	0	0	0	114	I355 D356 A364 K408 F412	I355-I360 HydrophobicContact CG2-CB 4.34Å; I355-I360 HydrophobicContact CG2-CD1 4.36Å; I355-I360 HydrophobicContact CG2-CG1 4.09Å; D356-I360 VanDerWaalsContact O-CB 3.31Å; D356-I360 WeakPolarHBondContact O-CB 3.3Å; D356-I360 PolarHBondContact O-N 3.38Å; I360-A364 WeakPolarHBondContact O-CB 3.31Å; I360-A364 PolarHBondContact O-N 3.2Å; I360-K408 HydrophobicContact CD1-CB 4.39Å; I360-F412 HydrophobicContact CD1-CB 3.6Å; I360-F412 HydrophobicContact CD1-CD2 3.88Å; I360-F412 HydrophobicContact CD1-CG 3.91Å; I360-F412 HydrophobicContact CG1-CB 3.81Å; I360-F412 HydrophobicContact CG1-CD1 4.33Å; I360-F412 HydrophobicContact CG1-CD2 3.92Å; I360-F412 HydrophobicContact CG1-CG 3.76Å; I360-F412 HydrophobicContact CG2-CD2 3.97Å; I360-F412 HydrophobicContact CG2-CE2 3.95Å
361	L	98.2	Very high	97.6	Very high	104 Å²	104	49.2 Å²	49.2	55%	0.545	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-49	179.4	174.6	63.4	0	0	0	111.6	N359 S365 F412 W419	N359-L361 VanDerWaalsContact C-N 3.29Å; N359-L361 PolarHBondContact O-N 3.22Å; N359-L361 VanDerWaalsContact O-N 3.13Å; L361-S365 VanDerWaalsContact O-CB 3.29Å; L361-S365 WeakPolarHBondContact O-CB 3.27Å; L361-S365 PolarHBondContact O-N 3.12Å; L361-S365 PolarHBondContact O-OG 3.38Å; L361-F412 HydrophobicContact CB-CE1 4.44Å; L361-F412 HydrophobicContact CB-CZ 4.03Å; L361-F412 HydrophobicContact CD1-CE1 3.93Å; L361-F412 HydrophobicContact CD1-CZ 3.79Å; L361-W419 HydrophobicContact CD1-CH2 4.21Å; L361-W419 HydrophobicContact CD1-CZ2 3.9Å
362	E	98.2	Very high	97.7	Very high	127 Å²	127	48.5 Å²	48.5	59%	0.593	26%	0.255	S	S	*	.	H	α-helix	trans	-63.9	-49.5	180	-174.6	-164.6	152.9	0	0	110.5	N359 S365 L366	N359-E362 PolarHBondContact O-N 3.39Å; N359-E362 VanDerWaalsContact O-N 3.09Å; E362-S365 PolarHBondContact O-N 3.16Å; E362-L366 WeakPolarHBondContact O-CB 3.5Å; E362-L366 PolarHBondContact O-N 2.98Å
363	R	98.4	Very high	97.8	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.011	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-43.8	-177.5	-60.6	-51.3	-56.1	170.2	1.1	111.9	F334 I355 N359 L366 L367 L409	F334-R363 HydrophobicContact CE1-CB 4.36Å; F334-R363 VanDerWaalsContact CZ-NH2 3.26Å; F334-R363 VanDerWaalsContact CZ-O 3.3Å; F334-R363 WeakPolarHBondContact CZ-O 3.5Å; I355-R363 HydrophobicContact CD1-CB 3.74Å; I355-R363 HydrophobicContact CD1-CG 3.78Å; N359-R363 HydrophobicContact CB-CG 3.94Å; N359-R363 VanDerWaalsContact O-CG 3.31Å; N359-R363 WeakPolarHBondContact O-CG 3.44Å; N359-R363 PolarHBondContact O-N 3.16Å; R363-L366 PolarHBondContact O-N 3.37Å; R363-L367 PolarHBondContact O-N 3.19Å; R363-L409 HydrophobicContact CB-CD2 4.05Å
364	A	98.6	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-39.4	177.1	0	0	0	0	0	111.8	I360 L368 L409 F412 M413 W419	I360-A364 WeakPolarHBondContact O-CB 3.31Å; I360-A364 PolarHBondContact O-N 3.2Å; A364-L368 VanDerWaalsContact O-CB 3.25Å; A364-L368 WeakPolarHBondContact O-CB 3.28Å; A364-L368 PolarHBondContact O-N 3.25Å; A364-L409 HydrophobicContact CB-CD2 3.95Å; A364-F412 HydrophobicContact CB-CD1 3.68Å; A364-F412 HydrophobicContact CB-CE1 4.18Å; A364-M413 HydrophobicContact CB-CG 3.98Å; A364-W419 HydrophobicContact CB-CH2 4.03Å; A364-W419 HydrophobicContact CB-CZ3 3.84Å
365	S	97.9	Very high	98	Very high	50 Å²	50	41.6 Å²	41.6	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-43.2	175.7	-58.8	0	0	0	0	111.6	L361 E362 L368 D369 W419	L361-S365 VanDerWaalsContact O-CB 3.29Å; L361-S365 WeakPolarHBondContact O-CB 3.27Å; L361-S365 PolarHBondContact O-N 3.12Å; L361-S365 PolarHBondContact O-OG 3.38Å; E362-S365 PolarHBondContact O-N 3.16Å; S365-L368 PolarHBondContact O-N 2.93Å; S365-D369 WeakPolarHBondContact O-CB 3.33Å; S365-D369 PolarHBondContact O-N 2.9Å; S365-W419 WeakPolarHBondContact OG-CH2 3.47Å; S365-W419 WeakPolarHBondContact OG-CZ2 3.21Å
366	L	98.2	Very high	98	Very high	46 Å²	46	44.3 Å²	44.3	24%	0.241	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-42.2	179.7	-171.8	67.8	0	0	0	112.2	I330 F334 E362 R363 Q370	I330-L366 HydrophobicContact CD1-CD1 3.78Å; I330-L366 HydrophobicContact CD1-CG 4.48Å; I330-L366 HydrophobicContact CG1-CD1 4.23Å; I330-L366 HydrophobicContact CG1-CD2 4.48Å; I330-L366 HydrophobicContact CG2-CD1 4.09Å; I330-L366 HydrophobicContact CG2-CD2 3.8Å; I330-L366 HydrophobicContact CG2-CG 3.59Å; F334-L366 HydrophobicContact CE2-CD2 4.32Å; F334-L366 HydrophobicContact CE2-CG 4.47Å; F334-L366 HydrophobicContact CZ-CB 4.35Å; F334-L366 HydrophobicContact CZ-CD2 4.39Å; E362-L366 WeakPolarHBondContact O-CB 3.5Å; E362-L366 PolarHBondContact O-N 2.98Å; R363-L366 PolarHBondContact O-N 3.37Å; L366-Q370 PolarHBondContact O-N 3.37Å
367	L	98.7	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-44.8	175.7	-175.1	56.9	0	0	0	111.6	C324 F334 R363 D369 Q370 Y371 Y406 L409 M413	C324-L367 HydrophobicContact CB-CD1 4.37Å; F334-L367 HydrophobicContact CD1-CB 4.27Å; F334-L367 HydrophobicContact CD1-CD1 4.17Å; F334-L367 HydrophobicContact CD1-CD2 3.99Å; F334-L367 HydrophobicContact CD1-CG 4.38Å; F334-L367 HydrophobicContact CD2-CD1 3.93Å; F334-L367 HydrophobicContact CE1-CB 3.7Å; F334-L367 HydrophobicContact CE1-CD1 4.4Å; F334-L367 HydrophobicContact CE1-CD2 4.13Å; F334-L367 HydrophobicContact CE1-CG 4.29Å; F334-L367 HydrophobicContact CE2-CB 4.08Å; F334-L367 HydrophobicContact CE2-CD1 4.16Å; F334-L367 HydrophobicContact CG-CD1 3.94Å; F334-L367 HydrophobicContact CZ-CB 3.6Å; F334-L367 HydrophobicContact CZ-CD1 4.4Å; F334-L367 HydrophobicContact CZ-CG 4.45Å; R363-L367 PolarHBondContact O-N 3.19Å; L367-D369 VanDerWaalsContact C-N 3.28Å; L367-D369 PolarHBondContact O-N 3.48Å; L367-Q370 WeakPolarHBondContact O-CB 3.37Å; L367-Q370 PolarHBondContact O-N 3.32Å; L367-Q370 VanDerWaalsContact O-N 3.13Å; L367-Y371 HydrophobicContact CD1-CD1 4.39Å; L367-Y371 HydrophobicContact CD1-CE1 3.74Å; L367-Y371 HydrophobicContact CD1-CE2 4.09Å; L367-Y371 HydrophobicContact CD2-CE2 3.89Å; L367-Y371 HydrophobicContact CG-CD2 4.18Å; L367-Y371 HydrophobicContact CG-CE1 4.21Å; L367-Y371 HydrophobicContact CG-CE2 3.62Å; L367-Y371 PolarHBondContact O-N 3.43Å; L367-Y406 HydrophobicContact CD2-CE1 4.11Å; L367-L409 HydrophobicContact CD2-CD1 3.98Å; L367-M413 HydrophobicContact CD2-CE 4.23Å
368	L	98.2	Very high	98.2	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-35.2	178.9	-178.6	59.8	0	0	0	111.9	A364 S365 Q370 Y371 R372 M413 W419 V421	A364-L368 VanDerWaalsContact O-CB 3.25Å; A364-L368 WeakPolarHBondContact O-CB 3.28Å; A364-L368 PolarHBondContact O-N 3.25Å; S365-L368 PolarHBondContact O-N 2.93Å; L368-Q370 VanDerWaalsContact C-N 3.34Å; L368-Y371 PolarHBondContact O-N 3.02Å; L368-R372 HydrophobicContact CD1-CG 4.23Å; L368-R372 HydrophobicContact CG-CG 4.38Å; L368-R372 WeakPolarHBondContact O-CB 3.4Å; L368-R372 WeakPolarHBondContact O-CG 3.25Å; L368-R372 PolarHBondContact O-N 2.98Å; L368-M413 HydrophobicContact CB-SD 4.09Å; L368-W419 HydrophobicContact CD2-CB 3.92Å; L368-W419 HydrophobicContact CD2-CD2 3.81Å; L368-W419 HydrophobicContact CD2-CE3 3.43Å; L368-W419 VanDerWaalsContact CD2-CE3 3.43Å; L368-W419 HydrophobicContact CD2-CG 4.06Å; L368-W419 HydrophobicContact CD2-CZ3 4.11Å; L368-V421 HydrophobicContact CD1-CB 4.08Å; L368-V421 HydrophobicContact CD1-CG1 4.2Å; L368-V421 HydrophobicContact CD1-CG2 3.78Å; L368-V421 HydrophobicContact CD2-CG1 4.3Å
369	D	98.1	Very high	98.1	Very high	37 Å²	37	29.9 Å²	29.9	20%	0.198	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-46.5	172.3	-179.7	67.2	0	0	0	111.5	Y117 S365 L367 R372 K373	Y117-D369 VanDerWaalsContact CE1-OD1 3.27Å; Y117-D369 WeakPolarHBondContact CE1-OD1 3.28Å; Y117-D369 PolarHBondContact OH-OD1 3.36Å; S365-D369 WeakPolarHBondContact O-CB 3.33Å; S365-D369 PolarHBondContact O-N 2.9Å; L367-D369 VanDerWaalsContact C-N 3.28Å; L367-D369 PolarHBondContact O-N 3.48Å; D369-R372 PolarHBondContact O-N 3Å; D369-K373 WeakPolarHBondContact O-CG 3.16Å; D369-K373 PolarHBondContact O-N 3.25Å; D369-K373 IonicContact OD1-NZ 3.44Å; D369-K373 VanDerWaalsContact OD2-CE 3.26Å; D369-K373 WeakPolarHBondContact OD2-CE 3.19Å; D369-K373 IonicContact OD2-NZ 2.67Å; D369-K373 PolarHBondContact OD2-NZ 3.29Å
370	Q	98.7	Very high	97.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-44.6	175.8	-67.8	-56.5	-61.5	0	0	112	P326 I330 L366 L367 L368 R372 K373 H374	P326-Q370 VanDerWaalsContact CD-OE1 3.27Å; I330-Q370 HydrophobicContact CB-CG 4.21Å; I330-Q370 HydrophobicContact CG2-CG 3.58Å; L366-Q370 PolarHBondContact O-N 3.37Å; L367-Q370 WeakPolarHBondContact O-CB 3.37Å; L367-Q370 PolarHBondContact O-N 3.32Å; L367-Q370 VanDerWaalsContact O-N 3.13Å; L368-Q370 VanDerWaalsContact C-N 3.34Å; Q370-R372 PolarHBondContact O-N 3.41Å; Q370-K373 PolarHBondContact O-N 3.29Å; Q370-H374 VanDerWaalsContact O-CB 3.31Å; Q370-H374 WeakPolarHBondContact O-CB 3.49Å; Q370-H374 PolarHBondContact O-N 3.21Å
371	Y	98.6	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-41.3	175.5	-67.4	-19.6	0	0	0	112.6	V131 V133 C324 L367 L368 H374 A375 L383 V385 V423	V131-Y371 HydrophobicContact CG1-CD1 4.49Å; V131-Y371 HydrophobicContact CG1-CD2 4.01Å; V131-Y371 HydrophobicContact CG1-CE2 4.02Å; V131-Y371 HydrophobicContact CG1-CG 4.25Å; V131-Y371 HydrophobicContact CG2-CD2 4.18Å; V131-Y371 HydrophobicContact CG2-CG 4.41Å; V133-Y371 WeakPolarHBondContact CG2-OH 3.48Å; C324-Y371 HydrophobicContact CB-CE1 4.2Å; C324-Y371 VanDerWaalsContact O-CD1 3.29Å; C324-Y371 WeakPolarHBondContact O-CD1 3.35Å; L367-Y371 HydrophobicContact CD1-CD1 4.39Å; L367-Y371 HydrophobicContact CD1-CE1 3.74Å; L367-Y371 HydrophobicContact CD1-CE2 4.09Å; L367-Y371 HydrophobicContact CD2-CE2 3.89Å; L367-Y371 HydrophobicContact CG-CD2 4.18Å; L367-Y371 HydrophobicContact CG-CE1 4.21Å; L367-Y371 HydrophobicContact CG-CE2 3.62Å; L367-Y371 PolarHBondContact O-N 3.43Å; L368-Y371 PolarHBondContact O-N 3.02Å; Y371-H374 PolarHBondContact O-N 3.03Å; Y371-A375 WeakPolarHBondContact O-CB 3.41Å; Y371-A375 PolarHBondContact O-N 3.27Å; Y371-L383 HydrophobicContact CD1-CD2 4.3Å; Y371-L383 HydrophobicContact CG-CD2 4.36Å; Y371-L383 WeakPolarHBondContact O-CD2 3.44Å; Y371-V385 HydrophobicContact CD1-CG2 4.02Å; Y371-V385 HydrophobicContact CE1-CB 4.38Å; Y371-V385 HydrophobicContact CE1-CG1 3.89Å; Y371-V385 HydrophobicContact CE1-CG2 3.82Å; Y371-V423 HydrophobicContact CE2-CG1 4.12Å
372	R	97.9	Very high	97.7	Very high	34 Å²	34	24.7 Å²	24.7	13%	0.128	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-38.9	178	-77.2	177.5	171.4	171.3	-2.1	112.3	Y117 S122 L129 L368 D369 Q370 Q376 W419	Y117-R372 HydrophobicContact CD1-CB 3.75Å; Y117-R372 HydrophobicContact CD2-CB 4.31Å; Y117-R372 HydrophobicContact CE1-CB 3.56Å; Y117-R372 HydrophobicContact CE2-CB 4.14Å; Y117-R372 HydrophobicContact CG-CB 4.13Å; S122-R372 PolarHBondContact O-NH2 2.85Å; S122-R372 VanDerWaalsContact O-NH2 3.12Å; L129-R372 HydrophobicContact CD2-CG 4.02Å; L368-R372 HydrophobicContact CD1-CG 4.23Å; L368-R372 HydrophobicContact CG-CG 4.38Å; L368-R372 WeakPolarHBondContact O-CB 3.4Å; L368-R372 WeakPolarHBondContact O-CG 3.25Å; L368-R372 PolarHBondContact O-N 2.98Å; D369-R372 PolarHBondContact O-N 3Å; Q370-R372 PolarHBondContact O-N 3.41Å; R372-Q376 WeakPolarHBondContact O-CG 3.49Å; R372-Q376 PolarHBondContact O-N 3.06Å; R372-Q376 PolarHBondContact O-NE2 3.04Å; R372-W419 PolarHBondContact NH2-O 3.46Å
373	K	98.3	Very high	97.7	Very high	32 Å²	32	18.7 Å²	18.7	14%	0.139	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-47.2	172.9	-72.2	174.6	174.4	161.1	0	111.1	V115 Y117 P326 D369 Q370 A375 Q376	V115-K373 HydrophobicContact CB-CB 4.2Å; V115-K373 HydrophobicContact CB-CG 4.47Å; V115-K373 HydrophobicContact CG1-CB 4.1Å; V115-K373 VanDerWaalsContact CG1-O 3.31Å; V115-K373 WeakPolarHBondContact CG1-O 3.43Å; V115-K373 WeakPolarHBondContact O-CD 3.14Å; V115-K373 WeakPolarHBondContact O-CE 3.14Å; V115-K373 WeakPolarHBondContact O-CG 2.97Å; Y117-K373 HydrophobicContact CD1-CG 3.83Å; Y117-K373 HydrophobicContact CE1-CG 3.89Å; P326-K373 HydrophobicContact CG-CB 3.75Å; P326-K373 HydrophobicContact CG-CD 4.05Å; D369-K373 WeakPolarHBondContact O-CG 3.16Å; D369-K373 PolarHBondContact O-N 3.25Å; D369-K373 IonicContact OD1-NZ 3.44Å; D369-K373 VanDerWaalsContact OD2-CE 3.26Å; D369-K373 WeakPolarHBondContact OD2-CE 3.19Å; D369-K373 IonicContact OD2-NZ 2.67Å; D369-K373 PolarHBondContact OD2-NZ 3.29Å; Q370-K373 PolarHBondContact O-N 3.29Å; K373-A375 VanDerWaalsContact C-N 3.32Å; K373-A375 PolarHBondContact O-N 3.23Å; K373-Q376 WeakPolarHBondContact O-CB 3.45Å; K373-Q376 PolarHBondContact O-N 3.49Å
374	H	98.4	Very high	97.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-56.7	-46	176.2	-168.6	-179.9	0	0	0	111.4	P314 F315 T323 Q370 Y371 Q376 L377 Y378 L383	P314-H374 WeakPolarHBondContact CG-NE2 3.39Å; F315-H374 AromaticContact CE2-CD2 3.62Å; F315-H374 AromaticContact CE2-CE1 3.86Å; F315-H374 AromaticContact CE2-CG 3.8Å; F315-H374 AromaticContact CE2-ND1 3.91Å; F315-H374 AromaticContact CE2-NE2 3.66Å; F315-H374 HydrophobicContact CZ-CB 4.46Å; F315-H374 AromaticContact CZ-CD2 3.82Å; T323-H374 PolarHBondContact O-CE1 3.1Å; T323-H374 VanDerWaalsContact O-CE1 3.25Å; T323-H374 PolarHBondContact O-ND1 3.42Å; Q370-H374 VanDerWaalsContact O-CB 3.31Å; Q370-H374 WeakPolarHBondContact O-CB 3.49Å; Q370-H374 PolarHBondContact O-N 3.21Å; Y371-H374 PolarHBondContact O-N 3.03Å; H374-Q376 PolarHBondContact O-N 3.03Å; H374-Q376 VanDerWaalsContact O-N 3.13Å; H374-L377 WeakPolarHBondContact O-CB 3.32Å; H374-L377 WeakPolarHBondContact O-CG 3.37Å; H374-L377 PolarHBondContact O-N 2.93Å; H374-L377 VanDerWaalsContact O-N 3.11Å; H374-Y378 AromaticContact CD2-CE2 3.73Å; H374-Y378 AromaticContact NE2-CE2 3.62Å; H374-L383 HydrophobicContact CB-CD1 4.2Å; H374-L383 HydrophobicContact CB-CD2 4.11Å
375	A	97.8	Very high	97.8	Very high	11 Å²	11	18.7 Å²	18.7	9%	0.091	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-22.7	177.7	0	0	0	0	0	114.2	L129 Y371 K373 L377 Y378 L383	L129-A375 HydrophobicContact CD1-CB 3.68Å; L129-A375 HydrophobicContact CD2-CB 4.49Å; Y371-A375 WeakPolarHBondContact O-CB 3.41Å; Y371-A375 PolarHBondContact O-N 3.27Å; K373-A375 VanDerWaalsContact C-N 3.32Å; K373-A375 PolarHBondContact O-N 3.23Å; A375-L377 PolarHBondContact O-N 3Å; A375-Y378 PolarHBondContact O-N 3.44Å; A375-L383 HydrophobicContact CB-CD1 4.47Å
376	Q	97.3	Very high	97.8	Very high	61 Å²	61	16.4 Å²	16.4	29%	0.285	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21	177.6	-61.7	-43.7	-63.4	0	0	113.4	V115 K289 R372 K373 H374 Y378	V115-Q376 HydrophobicContact CG1-CB 3.85Å; V115-Q376 HydrophobicContact CG1-CG 4.2Å; K289-Q376 WeakPolarHBondContact CE-O 3.36Å; K289-Q376 PolarHBondContact NZ-O 2.78Å; R372-Q376 WeakPolarHBondContact O-CG 3.49Å; R372-Q376 PolarHBondContact O-N 3.06Å; R372-Q376 PolarHBondContact O-NE2 3.04Å; K373-Q376 WeakPolarHBondContact O-CB 3.45Å; K373-Q376 PolarHBondContact O-N 3.49Å; H374-Q376 PolarHBondContact O-N 3.03Å; H374-Q376 VanDerWaalsContact O-N 3.13Å; Q376-Y378 PolarHBondContact O-N 3.16Å
377	L	98.2	Very high	97.9	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.2	-177.8	-49.7	-175.7	0	0	0	112.5	W109 W113 V115 A286 L291 P314 F315 H374 A375	W109-L377 HydrophobicContact CH2-CD1 4.04Å; W109-L377 HydrophobicContact CH2-CD2 4.38Å; W109-L377 HydrophobicContact CZ3-CD1 4.13Å; W109-L377 HydrophobicContact CZ3-CD2 4.05Å; W113-L377 HydrophobicContact CH2-CD2 4.06Å; W113-L377 HydrophobicContact CZ2-CD2 3.76Å; V115-L377 HydrophobicContact CG1-CD2 4.18Å; V115-L377 HydrophobicContact CG2-CD2 4Å; A286-L377 HydrophobicContact CB-CB 4.43Å; A286-L377 HydrophobicContact CB-CD2 4.31Å; L291-L377 HydrophobicContact CD1-CB 3.84Å; P314-L377 HydrophobicContact CB-CD1 3.51Å; P314-L377 HydrophobicContact CG-CD1 3.77Å; F315-L377 HydrophobicContact CE1-CD1 3.82Å; F315-L377 HydrophobicContact CZ-CD1 3.9Å; H374-L377 WeakPolarHBondContact O-CB 3.32Å; H374-L377 WeakPolarHBondContact O-CG 3.37Å; H374-L377 PolarHBondContact O-N 2.93Å; H374-L377 VanDerWaalsContact O-N 3.11Å; A375-L377 PolarHBondContact O-N 3Å
378	Y	98.1	Very high	97.8	Very high	3 Å²	3	14.3 Å²	14.3	1%	0.012	7%	0.068	C	C	.	.	S	Bend	trans	-110.7	170.5	-179.5	-62.9	-77.1	0	0	0	111.9	K289 L291 E292 H311 L312 P314 H374 A375 Q376 L383	K289-Y378 PolarHBondContact NZ-O 3.39Å; L291-Y378 HydrophobicContact CB-CD1 4Å; L291-Y378 HydrophobicContact CB-CE1 3.52Å; L291-Y378 HydrophobicContact CD1-CE1 3.98Å; L291-Y378 HydrophobicContact CG-CE1 4.43Å; E292-Y378 VanDerWaalsContact CD-CD1 3.44Å; E292-Y378 HydrophobicContact CG-CD1 3.69Å; E292-Y378 HydrophobicContact CG-CE1 4.06Å; H311-Y378 AromaticContact CE1-CE1 3.3Å; H311-Y378 WeakPolarHBondContact CE1-CE1 3.43Å; H311-Y378 AromaticContact CE1-CZ 3.28Å; H311-Y378 PolarHBondContact CE1-OH 3.1Å; H311-Y378 VanDerWaalsContact CE1-OH 3.28Å; H311-Y378 AromaticContact ND1-CE1 3.72Å; H311-Y378 AromaticContact NE2-CE1 3.88Å; H311-Y378 AromaticContact NE2-CZ 3.58Å; H311-Y378 PolarHBondContact NE2-OH 3.35Å; L312-Y378 PolarHBondContact O-OH 2.67Å; P314-Y378 VanDerWaalsContact CD-OH 3.3Å; P314-Y378 WeakPolarHBondContact CD-OH 3.39Å; P314-Y378 HydrophobicContact CG-CE2 4.23Å; H374-Y378 AromaticContact CD2-CE2 3.73Å; H374-Y378 AromaticContact NE2-CE2 3.62Å; A375-Y378 PolarHBondContact O-N 3.44Å; Q376-Y378 PolarHBondContact O-N 3.16Å; Y378-L383 HydrophobicContact CD2-CD1 4.12Å; Y378-L383 HydrophobicContact CE2-CD1 4.21Å
379	R	95.5	Very high	97.8	Very high	64 Å²	64	15.2 Å²	15.2	24%	0.242	7%	0.073	C	C	.	.	S	Bend	trans	-87.1	-37.1	-179.9	-65	-173.3	176.4	-139.7	-6.8	112.8	K289 I444 D445 F446	K289-R379 HydrophobicContact CB-CG 3.8Å; K289-R379 WeakPolarHBondContact O-CG 3.23Å; K289-R379 PolarHBondContact O-NE 2.8Å; R379-I444 HydrophobicContact CB-CG2 3.65Å; R379-D445 WeakPolarHBondContact CD-O 3.34Å; R379-D445 PolarHBondContact NH1-O 3.4Å; R379-D445 IonicContact NH1-OD2 3.27Å; R379-F446 HydrophobicContact CB-CE1 4.24Å
380	G	93.1	Very high	97.8	Very high	4 Å²	4	15.5 Å²	15.5	4%	0.041	8%	0.075	C	C	.	.	S	Bend	trans	-86.6	-178.9	179.9	0	0	0	0	0	114.4	E438	G380-E438 WeakPolarHBondContact CA-OE2 3.26Å
381	N	95.7	Very high	97.8	Very high	35 Å²	35	16.9 Å²	16.9	19%	0.187	8%	0.081	C	C	.	.	S	Bend	trans	-110.3	25.5	170.8	-70.5	33.7	0	0	0	111.4	P127 K130 E438 R442	P127-N381 HydrophobicContact CB-CB 4.39Å; P127-N381 WeakPolarHBondContact CB-ND2 3.39Å; P127-N381 WeakPolarHBondContact CG-ND2 3.48Å; P127-N381 PolarHBondContact O-ND2 3.38Å; K130-N381 PolarHBondContact N-O 3.14Å; N381-E438 WeakPolarHBondContact CB-OE1 3.37Å; N381-E438 VanDerWaalsContact N-CD 3.29Å; N381-E438 PolarHBondContact N-OE1 3.37Å; N381-E438 PolarHBondContact N-OE2 2.98Å; N381-R442 VanDerWaalsContact CG-NH1 3.26Å; N381-R442 PolarHBondContact OD1-NH1 3.49Å
382	V	98.3	Very high	97.8	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.018	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.5	169.9	179.6	0	0	0	0	108.2	K130 F132 Y431 A434 L435 E438	K130-V382 HydrophobicContact CB-CG2 4.27Å; K130-V382 HydrophobicContact CD-CG2 4.21Å; K130-V382 CarbonylContact O-C 3.57Å; K130-V382 WeakPolarHBondContact O-CA 3.42Å; F132-V382 HydrophobicContact CD2-CG1 4.02Å; F132-V382 HydrophobicContact CE2-CG1 3.88Å; V382-Y431 HydrophobicContact CG1-CD2 3.62Å; V382-Y431 HydrophobicContact CG1-CE2 3.79Å; V382-A434 HydrophobicContact CG1-CB 3.97Å; V382-A434 HydrophobicContact CG2-CB 4.28Å; V382-L435 HydrophobicContact CB-CB 4.37Å; V382-L435 HydrophobicContact CB-CD1 4.24Å; V382-L435 HydrophobicContact CG1-CB 4.26Å; V382-E438 HydrophobicContact CG2-CB 4.11Å; V382-E438 WeakPolarHBondContact CG2-OE2 3.47Å; V382-E438 PolarHBondContact N-OE2 3.4Å
383	L	98.7	Very high	97.8	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.3	-174.1	-176.2	67.7	0	0	0	111.4	L129 K130 V131 F132 Y371 H374 A375 Y378 V385	L129-L383 HydrophobicContact CD1-CB 4.29Å; K130-L383 PolarHBondContact O-N 3.12Å; V131-L383 HydrophobicContact CG1-CD2 4.21Å; V131-L383 HydrophobicContact CG2-CB 4.28Å; V131-L383 HydrophobicContact CG2-CD2 4.23Å; F132-L383 PolarHBondContact N-O 3.28Å; Y371-L383 HydrophobicContact CD1-CD2 4.3Å; Y371-L383 HydrophobicContact CG-CD2 4.36Å; Y371-L383 WeakPolarHBondContact O-CD2 3.44Å; H374-L383 HydrophobicContact CB-CD1 4.2Å; H374-L383 HydrophobicContact CB-CD2 4.11Å; A375-L383 HydrophobicContact CB-CD1 4.47Å; Y378-L383 HydrophobicContact CD2-CD1 4.12Å; Y378-L383 HydrophobicContact CE2-CD1 4.21Å; L383-V385 HydrophobicContact CD2-CG2 3.77Å; L383-V385 HydrophobicContact CG-CG2 3.87Å
384	L	98.8	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.7	170.4	-179.3	59.7	0	0	0	109.9	V134 F313 L428 Y431	V134-L384 HydrophobicContact CB-CD1 4.26Å; V134-L384 HydrophobicContact CG2-CD1 3.43Å; V134-L384 VanDerWaalsContact CG2-CD1 3.43Å; F313-L384 HydrophobicContact CE1-CD2 3.66Å; F313-L384 HydrophobicContact CE1-CG 3.98Å; F313-L384 HydrophobicContact CZ-CD2 3.73Å; F313-L384 HydrophobicContact CZ-CG 4.37Å; L384-L428 HydrophobicContact CD1-CD2 4Å; L384-L428 HydrophobicContact CD2-CD2 3.89Å; L384-Y431 HydrophobicContact CB-CD1 4.07Å; L384-Y431 HydrophobicContact CB-CD2 3.63Å; L384-Y431 HydrophobicContact CB-CE1 4.05Å; L384-Y431 HydrophobicContact CB-CE2 3.65Å; L384-Y431 HydrophobicContact CB-CG 3.87Å; L384-Y431 HydrophobicContact CD1-CD1 4.27Å; L384-Y431 HydrophobicContact CD1-CD2 4.48Å; L384-Y431 HydrophobicContact CD1-CG 4.01Å; L384-Y431 HydrophobicContact CD2-CD1 3.94Å; L384-Y431 HydrophobicContact CD2-CE1 4.01Å; L384-Y431 HydrophobicContact CD2-CG 4.42Å; L384-Y431 HydrophobicContact CG-CD1 4.32Å; L384-Y431 HydrophobicContact CG-CG 4.32Å
385	V	98.9	Very high	97.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	100.8	178	179.3	0	0	0	0	109.4	V131 F132 V133 V134 Y371 L383	V131-V385 HydrophobicContact CG1-CG2 3.77Å; F132-V385 PolarHBondContact O-N 3.06Å; V133-V385 CarbonylContact C-O 3.32Å; V133-V385 VanDerWaalsContact CA-O 3.28Å; V133-V385 WeakPolarHBondContact CA-O 3.47Å; V133-V385 HydrophobicContact CG2-CB 4.3Å; V134-V385 PolarHBondContact N-O 3.42Å; Y371-V385 HydrophobicContact CD1-CG2 4.02Å; Y371-V385 HydrophobicContact CE1-CB 4.38Å; Y371-V385 HydrophobicContact CE1-CG1 3.89Å; Y371-V385 HydrophobicContact CE1-CG2 3.82Å; L383-V385 HydrophobicContact CD2-CG2 3.77Å; L383-V385 HydrophobicContact CG-CG2 3.87Å
386	P	98.8	Very high	97.5	Very high	2 Å²	2	24 Å²	24	1%	0.013	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	143.1	171.8	-22.5	32.7	0	0	0	111.7	W249 F313 T323	W249-P386 HydrophobicContact CH2-CB 4.04Å; W249-P386 HydrophobicContact CH2-CG 3.92Å; F313-P386 HydrophobicContact CD1-CG 4.19Å; F313-P386 HydrophobicContact CE1-CG 3.44Å; F313-P386 VanDerWaalsContact CE1-CG 3.44Å; F313-P386 HydrophobicContact CE2-CG 4.34Å; F313-P386 HydrophobicContact CZ-CG 3.54Å; T323-P386 WeakPolarHBondContact CB-O 3.44Å; T323-P386 HydrophobicContact CG2-CB 3.87Å; T323-P386 HydrophobicContact CG2-CG 3.94Å; T323-P386 PolarHBondContact OG1-O 2.84Å
387	L	98.8	Very high	97.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	76.5	175.9	-174	70.9	0	0	0	110.3	V133 V134 P135 H136 I320 Y393 Y406 F425	V133-L387 HydrophobicContact CG1-CB 3.69Å; V133-L387 HydrophobicContact CG1-CD2 3.88Å; V133-L387 HydrophobicContact CG1-CG 4.27Å; V134-L387 PolarHBondContact O-N 2.7Å; P135-L387 WeakPolarHBondContact CA-O 3.21Å; P135-L387 HydrophobicContact CG-CD2 4.44Å; H136-L387 PolarHBondContact N-O 3.41Å; I320-L387 HydrophobicContact CD1-CD1 3.63Å; I320-L387 HydrophobicContact CD1-CG 4.23Å; I320-L387 HydrophobicContact CG1-CD1 3.91Å; I320-L387 HydrophobicContact CG2-CD1 4.04Å; L387-Y393 WeakPolarHBondContact CD2-OH 3.3Å; L387-Y393 WeakPolarHBondContact CG-OH 3.32Å; L387-Y393 WeakPolarHBondContact O-CE2 3.46Å; L387-Y393 PolarHBondContact O-OH 2.88Å; L387-Y406 HydrophobicContact CD1-CD2 4.42Å; L387-Y406 HydrophobicContact CD1-CE2 3.43Å; L387-Y406 VanDerWaalsContact CD1-CE2 3.43Å; L387-Y406 VanDerWaalsContact CD1-CZ 3.47Å; L387-Y406 WeakPolarHBondContact CD1-OH 3.43Å; L387-Y406 HydrophobicContact CD2-CD2 3.69Å; L387-Y406 HydrophobicContact CD2-CE2 3.53Å; L387-Y406 HydrophobicContact CD2-CG 4.42Å; L387-Y406 HydrophobicContact CG-CE2 4.13Å; L387-F425 HydrophobicContact CD2-CE1 4.31Å
388	G	98.5	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.			trans	-168.6	-175.7	-178	0	0	0	0	0	111.7	H136 D319 I320	H136-G388 PolarHBondContact CD2-N 2.86Å; H136-G388 VanDerWaalsContact NE2-CA 3.3Å; H136-G388 WeakPolarHBondContact NE2-CA 3.46Å; H136-G388 PolarHBondContact NE2-N 2.93Å; H136-G388 WeakPolarHBondContact O-CA 3.49Å; D319-G388 WeakPolarHBondContact CA-O 3.49Å; I320-G388 WeakPolarHBondContact CG1-O 3.47Å; I320-G388 PolarHBondContact N-O 2.73Å
389	D	98.3	Very high	97.4	Very high	24 Å²	24	27.5 Å²	27.5	13%	0.128	13%	0.129	C	C	.	.			trans	-168.7	-171	-179.5	-156.5	-17.1	0	0	0	105.7	H138 D319 R338 F391 R392	H138-D389 PolarHBondContact N-O 2.93Å; D319-D389 HydrophobicContact CB-CB 4.39Å; R338-D389 IonicContact NH2-OD2 2.64Å; R338-D389 PolarHBondContact NH2-OD2 3.37Å; D389-F391 PolarHBondContact O-N 3.22Å; D389-R392 HydrophobicContact CB-CG 3.44Å; D389-R392 VanDerWaalsContact CB-CG 3.44Å; D389-R392 WeakPolarHBondContact O-CG 3.23Å
390	D	98.2	Very high	97.4	Very high	43 Å²	43	29.8 Å²	29.8	23%	0.23	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-64.4	130.3	175.9	-61.5	-7.3	0	0	0	112	H138 Y318 R392	H138-D390 IonicContact CD2-OD1 2.84Å; H138-D390 PolarHBondContact CD2-OD1 3.05Å; H138-D390 IonicContact CG-OD1 3.15Å; Y318-D390 VanDerWaalsContact CE2-OD1 3.28Å; Y318-D390 WeakPolarHBondContact CE2-OD1 3.35Å; Y318-D390 PolarHBondContact OH-OD1 3.35Å; D390-R392 VanDerWaalsContact C-N 3.26Å; D390-R392 PolarHBondContact O-N 3.43Å; D390-R392 VanDerWaalsContact O-N 3.13Å
391	F	98	Very high	97.6	Very high	30 Å²	30	31.1 Å²	31.1	13%	0.132	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	45	174.6	-58.9	-86.4	0	0	0	114	H138 T139 D140 Y150 V155 I158 D389 V394	H138-F391 PolarHBondContact O-N 2.86Å; T139-F391 HydrophobicContact CG2-CD1 4.13Å; T139-F391 HydrophobicContact CG2-CE1 4.28Å; D140-F391 HydrophobicContact CB-CE2 4.23Å; D140-F391 HydrophobicContact CB-CZ 3.99Å; Y150-F391 HydrophobicContact CD1-CD1 4.1Å; Y150-F391 AromaticContact CD1-CE1 3.42Å; Y150-F391 HydrophobicContact CD1-CE1 3.42Å; Y150-F391 VanDerWaalsContact CD1-CE1 3.42Å; Y150-F391 AromaticContact CD1-CE2 3.94Å; Y150-F391 HydrophobicContact CD1-CE2 3.94Å; Y150-F391 AromaticContact CD1-CZ 3.33Å; Y150-F391 HydrophobicContact CD1-CZ 3.33Å; Y150-F391 HydrophobicContact CD2-CE1 4.43Å; Y150-F391 AromaticContact CD2-CZ 3.95Å; Y150-F391 HydrophobicContact CD2-CZ 3.95Å; Y150-F391 HydrophobicContact CE1-CD2 4.17Å; Y150-F391 AromaticContact CE1-CE1 3.94Å; Y150-F391 HydrophobicContact CE1-CE1 3.94Å; Y150-F391 AromaticContact CE1-CE2 3.53Å; Y150-F391 HydrophobicContact CE1-CE2 3.53Å; Y150-F391 AromaticContact CE1-CZ 3.39Å; Y150-F391 HydrophobicContact CE1-CZ 3.39Å; Y150-F391 HydrophobicContact CE2-CE2 4.49Å; Y150-F391 AromaticContact CE2-CZ 3.99Å; Y150-F391 HydrophobicContact CE2-CZ 3.99Å; Y150-F391 AromaticContact CG-CE1 3.72Å; Y150-F391 HydrophobicContact CG-CE1 3.72Å; Y150-F391 AromaticContact CG-CZ 3.62Å; Y150-F391 HydrophobicContact CG-CZ 3.62Å; Y150-F391 AromaticContact CZ-CE2 3.84Å; Y150-F391 AromaticContact CZ-CZ 3.72Å; V155-F391 HydrophobicContact CG2-CD1 4.09Å; V155-F391 HydrophobicContact CG2-CE1 3.85Å; I158-F391 HydrophobicContact CD1-CB 4.48Å; D389-F391 PolarHBondContact O-N 3.22Å; F391-V394 WeakPolarHBondContact O-CG2 3.36Å
392	R	97.7	Very high	97.7	Very high	9 Å²	9	29.5 Å²	29.5	3%	0.034	14%	0.135	C	C	.	.			trans	-85.4	169.6	176.7	-57.9	-63.3	-79.3	101.9	30.5	110.8	S137 I158 D335 D389 D390 V394 E398 Q402	S137-R392 WeakPolarHBondContact CB-O 3.48Å; S137-R392 PolarHBondContact OG-N 3.21Å; S137-R392 VanDerWaalsContact OG-N 3.12Å; S137-R392 PolarHBondContact OG-O 2.56Å; I158-R392 WeakPolarHBondContact CD1-O 3.37Å; I158-R392 WeakPolarHBondContact CG1-O 3.39Å; D335-R392 IonicContact OD1-NH2 2.62Å; D389-R392 HydrophobicContact CB-CG 3.44Å; D389-R392 VanDerWaalsContact CB-CG 3.44Å; D389-R392 WeakPolarHBondContact O-CG 3.23Å; D390-R392 VanDerWaalsContact C-N 3.26Å; D390-R392 PolarHBondContact O-N 3.43Å; D390-R392 VanDerWaalsContact O-N 3.13Å; R392-V394 VanDerWaalsContact C-N 3.31Å; R392-V394 PolarHBondContact O-N 3.18Å; R392-E398 VanDerWaalsContact CZ-CD 3.45Å; R392-E398 IonicContact CZ-OE1 2.57Å; R392-E398 IonicContact CZ-OE2 3.77Å; R392-E398 IonicContact NE-OE1 3.26Å; R392-E398 IonicContact NH1-OE1 2.8Å; R392-E398 PolarHBondContact NH1-OE1 3.48Å; R392-E398 IonicContact NH1-OE2 3.35Å; R392-E398 PolarHBondContact NH1-OE2 3.07Å; R392-E398 VanDerWaalsContact NH2-CD 3.3Å; R392-E398 IonicContact NH2-OE1 2.84Å; R392-E398 PolarHBondContact NH2-OE1 3.18Å; R392-E398 IonicContact NH2-OE2 3.93Å; R392-Q402 VanDerWaalsContact NH2-NE2 3.13Å
393	Y	97.8	Very high	97.7	Very high	4 Å²	4	31 Å²	31	2%	0.016	14%	0.141	C	C	.	.			trans	66.3	24.4	176.5	-60.9	-80.9	0	0	0	115.4	P135 H136 F174 L387 K395 E398 W399 Q402	P135-Y393 HydrophobicContact CB-CE2 4.44Å; H136-Y393 WeakPolarHBondContact O-CD2 3.43Å; H136-Y393 VanDerWaalsContact O-CE2 3.23Å; H136-Y393 WeakPolarHBondContact O-CE2 3.46Å; F174-Y393 AromaticContact CE2-CD2 3.75Å; F174-Y393 HydrophobicContact CE2-CD2 3.75Å; F174-Y393 HydrophobicContact CE2-CE2 4.15Å; F174-Y393 HydrophobicContact CE2-CG 4.11Å; F174-Y393 HydrophobicContact CZ-CD2 4.45Å; L387-Y393 WeakPolarHBondContact CD2-OH 3.3Å; L387-Y393 WeakPolarHBondContact CG-OH 3.32Å; L387-Y393 WeakPolarHBondContact O-CE2 3.46Å; L387-Y393 PolarHBondContact O-OH 2.88Å; Y393-K395 VanDerWaalsContact C-N 3.31Å; Y393-K395 PolarHBondContact O-N 3.31Å; Y393-E398 WeakPolarHBondContact CA-OE1 3.49Å; Y393-E398 PolarHBondContact N-OE1 3.47Å; Y393-E398 PolarHBondContact N-OE2 2.93Å; Y393-W399 AromaticContact CD1-CD2 3.68Å; Y393-W399 HydrophobicContact CD1-CD2 3.68Å; Y393-W399 AromaticContact CD1-CE2 3.72Å; Y393-W399 AromaticContact CD1-CE3 3.95Å; Y393-W399 HydrophobicContact CD1-CE3 3.95Å; Y393-W399 HydrophobicContact CD1-CG 4.08Å; Y393-W399 HydrophobicContact CD1-CH2 4.32Å; Y393-W399 HydrophobicContact CD1-CZ2 4.04Å; Y393-W399 HydrophobicContact CD1-CZ3 4.28Å; Y393-W399 HydrophobicContact CE1-CD2 4.44Å; Y393-W399 HydrophobicContact CE1-CE3 4.31Å; Y393-W399 HydrophobicContact CG-CD2 4.45Å; Y393-W399 HydrophobicContact CG-CZ2 4.08Å; Y393-W399 PolarHBondContact O-NE1 2.91Å; Y393-Q402 HydrophobicContact CE1-CB 4.12Å; Y393-Q402 HydrophobicContact CE1-CG 4.04Å
394	V	97.1	Very high	97.7	Very high	32 Å²	32	34.6 Å²	34.6	19%	0.194	16%	0.159	C	C	.	.			trans	-65	-30.2	-177.2	-177	0	0	0	0	113.5	G157 I158 S161 F391 R392	G157-V394 CarbonylContact C-O 3.57Å; I158-V394 HydrophobicContact CD1-CG2 4.11Å; I158-V394 HydrophobicContact CG1-CB 4.23Å; I158-V394 HydrophobicContact CG1-CG2 3.73Å; S161-V394 PolarHBondContact OG-O 3.13Å; F391-V394 WeakPolarHBondContact O-CG2 3.36Å; R392-V394 VanDerWaalsContact C-N 3.31Å; R392-V394 PolarHBondContact O-N 3.18Å
395	K	96.5	Very high	97.7	Very high	148 Å²	148	35 Å²	35	64%	0.643	16%	0.162	S	C	*	.	S	Bend	trans	-130.4	144.3	-174.9	-62.6	-177.7	-178.9	178.7	0	110.5	S161 Y393 K397 E398 W399	S161-K395 WeakPolarHBondContact OG-CA 3.25Å; Y393-K395 VanDerWaalsContact C-N 3.31Å; Y393-K395 PolarHBondContact O-N 3.31Å; K395-K397 PolarHBondContact O-N 2.86Å; K395-E398 WeakPolarHBondContact O-CB 3.44Å; K395-E398 PolarHBondContact O-N 3.21Å; K395-W399 PolarHBondContact O-N 3.11Å
396	D	96	Very high	97.7	Very high	34 Å²	34	35 Å²	35	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-47	-37	172.3	172.5	73.3	0	0	0	114.4	S161 R168 E398 W399 R400	S161-D396 PolarHBondContact OG-N 2.88Å; R168-D396 IonicContact CZ-OD1 3.7Å; R168-D396 IonicContact NH1-OD1 3.64Å; R168-D396 IonicContact NH2-OD1 3.83Å; R168-D396 PolarHBondContact NH2-OD1 3.16Å; R168-D396 IonicContact NH2-OD2 3.34Å; D396-E398 PolarHBondContact O-N 2.89Å; D396-W399 WeakPolarHBondContact O-CB 3.49Å; D396-W399 PolarHBondContact O-N 3.37Å; D396-R400 PolarHBondContact O-N 3.24Å; D396-R400 IonicContact OD1-NE 3.74Å; D396-R400 IonicContact OD2-CZ 3.93Å; D396-R400 IonicContact OD2-NE 3.27Å; D396-R400 PolarHBondContact OD2-NE 2.79Å; D396-R400 IonicContact OD2-NH2 3.94Å; D396-R400 PolarHBondContact OD2-NH2 3.21Å
397	K	95.6	Very high	97.6	Very high	110 Å²	110	36.2 Å²	36.2	48%	0.478	17%	0.172	S	C	.	.	H	α-helix	trans	-55.6	-42.4	175.9	179.5	-176.9	172	-171.6	0	111.7	Y339 K395 L401	Y339-K397 PolarHBondContact OH-NZ 3.42Å; K395-K397 PolarHBondContact O-N 2.86Å; K397-L401 HydrophobicContact CG-CD1 4.11Å; K397-L401 WeakPolarHBondContact O-CB 3.35Å; K397-L401 VanDerWaalsContact O-CG 3.27Å; K397-L401 WeakPolarHBondContact O-CG 3.45Å; K397-L401 PolarHBondContact O-N 3.27Å
398	E	96.8	Very high	97.6	Very high	25 Å²	25	40.6 Å²	40.6	12%	0.117	19%	0.191	C	C	.	.	H	α-helix	trans	-70.1	-43.7	-180	-171.7	-170.8	144.7	0	0	111.6	A337 R392 Y393 K395 D396 R400 L401 Q402	A337-E398 HydrophobicContact CB-CG 4.48Å; R392-E398 VanDerWaalsContact CZ-CD 3.45Å; R392-E398 IonicContact CZ-OE1 2.57Å; R392-E398 IonicContact CZ-OE2 3.77Å; R392-E398 IonicContact NE-OE1 3.26Å; R392-E398 IonicContact NH1-OE1 2.8Å; R392-E398 PolarHBondContact NH1-OE1 3.48Å; R392-E398 IonicContact NH1-OE2 3.35Å; R392-E398 PolarHBondContact NH1-OE2 3.07Å; R392-E398 VanDerWaalsContact NH2-CD 3.3Å; R392-E398 IonicContact NH2-OE1 2.84Å; R392-E398 PolarHBondContact NH2-OE1 3.18Å; R392-E398 IonicContact NH2-OE2 3.93Å; Y393-E398 WeakPolarHBondContact CA-OE1 3.49Å; Y393-E398 PolarHBondContact N-OE1 3.47Å; Y393-E398 PolarHBondContact N-OE2 2.93Å; K395-E398 WeakPolarHBondContact O-CB 3.44Å; K395-E398 PolarHBondContact O-N 3.21Å; D396-E398 PolarHBondContact O-N 2.89Å; E398-R400 VanDerWaalsContact C-N 3.31Å; E398-R400 PolarHBondContact O-N 2.93Å; E398-L401 PolarHBondContact O-N 3.45Å; E398-L401 VanDerWaalsContact O-N 3.13Å; E398-Q402 HydrophobicContact CG-CG 4.35Å; E398-Q402 WeakPolarHBondContact O-CG 3.21Å; E398-Q402 PolarHBondContact O-N 2.88Å
399	W	97.8	Very high	97.6	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-52.5	-49.9	173.8	-79.8	92.9	0	0	0	111.6	M162 F165 L166 F174 Y393 K395 D396 Q402 Y403	M162-W399 HydrophobicContact CB-CH2 4.28Å; M162-W399 HydrophobicContact CB-CZ2 3.65Å; M162-W399 HydrophobicContact CG-CH2 4.16Å; M162-W399 HydrophobicContact CG-CZ2 4.01Å; F165-W399 HydrophobicContact CB-CB 4.32Å; F165-W399 HydrophobicContact CB-CD2 4.04Å; F165-W399 HydrophobicContact CB-CE3 4.22Å; F165-W399 HydrophobicContact CB-CG 4.12Å; F165-W399 HydrophobicContact CD1-CB 4.18Å; F165-W399 AromaticContact CD1-CD2 3.98Å; F165-W399 HydrophobicContact CD1-CD2 3.98Å; F165-W399 AromaticContact CD1-CE3 3.38Å; F165-W399 HydrophobicContact CD1-CE3 3.38Å; F165-W399 HydrophobicContact CD1-CG 4.36Å; F165-W399 HydrophobicContact CD1-CZ3 4.05Å; F165-W399 HydrophobicContact CD2-CB 3.52Å; F165-W399 HydrophobicContact CD2-CG 4.21Å; F165-W399 HydrophobicContact CE1-CB 4.42Å; F165-W399 AromaticContact CE1-CE3 3.91Å; F165-W399 HydrophobicContact CE1-CE3 3.91Å; F165-W399 HydrophobicContact CE2-CB 3.81Å; F165-W399 HydrophobicContact CG-CB 3.74Å; F165-W399 AromaticContact CG-CD2 3.97Å; F165-W399 HydrophobicContact CG-CD2 3.97Å; F165-W399 AromaticContact CG-CE3 3.86Å; F165-W399 HydrophobicContact CG-CE3 3.86Å; F165-W399 AromaticContact CG-CG 3.97Å; F165-W399 HydrophobicContact CG-CG 3.97Å; F165-W399 HydrophobicContact CZ-CB 4.26Å; L166-W399 HydrophobicContact CD2-CH2 4.43Å; L166-W399 HydrophobicContact CD2-CZ3 4.15Å; F174-W399 HydrophobicContact CB-CH2 4.05Å; F174-W399 AromaticContact CD2-CH2 3.38Å; F174-W399 HydrophobicContact CD2-CH2 3.38Å; F174-W399 HydrophobicContact CD2-CZ2 4.04Å; F174-W399 HydrophobicContact CD2-CZ3 4.23Å; F174-W399 AromaticContact CE2-CH2 3.9Å; F174-W399 HydrophobicContact CE2-CH2 3.9Å; F174-W399 HydrophobicContact CE2-CZ2 4.11Å; F174-W399 AromaticContact CG-CH2 3.78Å; F174-W399 HydrophobicContact CG-CH2 3.78Å; F174-W399 HydrophobicContact CG-CZ2 4.48Å; Y393-W399 AromaticContact CD1-CD2 3.68Å; Y393-W399 HydrophobicContact CD1-CD2 3.68Å; Y393-W399 AromaticContact CD1-CE2 3.72Å; Y393-W399 AromaticContact CD1-CE3 3.95Å; Y393-W399 HydrophobicContact CD1-CE3 3.95Å; Y393-W399 HydrophobicContact CD1-CG 4.08Å; Y393-W399 HydrophobicContact CD1-CH2 4.32Å; Y393-W399 HydrophobicContact CD1-CZ2 4.04Å; Y393-W399 HydrophobicContact CD1-CZ3 4.28Å; Y393-W399 HydrophobicContact CE1-CD2 4.44Å; Y393-W399 HydrophobicContact CE1-CE3 4.31Å; Y393-W399 HydrophobicContact CG-CD2 4.45Å; Y393-W399 HydrophobicContact CG-CZ2 4.08Å; Y393-W399 PolarHBondContact O-NE1 2.91Å; K395-W399 PolarHBondContact O-N 3.11Å; D396-W399 WeakPolarHBondContact O-CB 3.49Å; D396-W399 PolarHBondContact O-N 3.37Å; W399-Q402 PolarHBondContact O-N 3.45Å; W399-Y403 WeakPolarHBondContact O-CB 3.32Å; W399-Y403 PolarHBondContact O-N 3.37Å
400	R	97.1	Very high	97.7	Very high	111 Å²	111	40 Å²	40	42%	0.419	19%	0.187	S	C	.	.	H	α-helix	trans	-61	-46.1	175.6	-75.6	-175.5	-76.1	133.9	-7.6	112.5	F165 D396 E398 Q402 D404	F165-R400 HydrophobicContact CE2-CG 3.83Å; D396-R400 PolarHBondContact O-N 3.24Å; D396-R400 IonicContact OD1-NE 3.74Å; D396-R400 IonicContact OD2-CZ 3.93Å; D396-R400 IonicContact OD2-NE 3.27Å; D396-R400 PolarHBondContact OD2-NE 2.79Å; D396-R400 IonicContact OD2-NH2 3.94Å; D396-R400 PolarHBondContact OD2-NH2 3.21Å; E398-R400 VanDerWaalsContact C-N 3.31Å; E398-R400 PolarHBondContact O-N 2.93Å; R400-Q402 PolarHBondContact O-N 2.93Å; R400-D404 WeakPolarHBondContact O-CB 3.45Å; R400-D404 PolarHBondContact O-N 3.44Å
401	L	96.5	Very high	97.7	Very high	32 Å²	32	45.1 Å²	45.1	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-45.9	178.5	-77.7	171.5	0	0	0	112.1	F336 Y339 L354 K397 E398 N405	F336-L401 HydrophobicContact CB-CB 4.33Å; F336-L401 WeakPolarHBondContact CB-O 3.47Å; Y339-L401 HydrophobicContact CD1-CD1 4.37Å; Y339-L401 HydrophobicContact CE1-CD1 4.02Å; L354-L401 HydrophobicContact CD2-CD2 3.82Å; K397-L401 HydrophobicContact CG-CD1 4.11Å; K397-L401 WeakPolarHBondContact O-CB 3.35Å; K397-L401 VanDerWaalsContact O-CG 3.27Å; K397-L401 WeakPolarHBondContact O-CG 3.45Å; K397-L401 PolarHBondContact O-N 3.27Å; E398-L401 PolarHBondContact O-N 3.45Å; E398-L401 VanDerWaalsContact O-N 3.13Å; L401-N405 WeakPolarHBondContact O-CB 3.44Å; L401-N405 PolarHBondContact O-ND2 3.35Å
402	Q	98	Very high	97.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-70.6	-58	177.8	-61.7	-67.2	8.5	0	0	110.1	D335 F336 R392 Y393 E398 W399 R400 D404 N405 Y406	D335-Q402 PolarHBondContact OD1-NE2 3.29Å; F336-Q402 VanDerWaalsContact N-OE1 3.16Å; R392-Q402 VanDerWaalsContact NH2-NE2 3.13Å; Y393-Q402 HydrophobicContact CE1-CB 4.12Å; Y393-Q402 HydrophobicContact CE1-CG 4.04Å; E398-Q402 HydrophobicContact CG-CG 4.35Å; E398-Q402 WeakPolarHBondContact O-CG 3.21Å; E398-Q402 PolarHBondContact O-N 2.88Å; W399-Q402 PolarHBondContact O-N 3.45Å; R400-Q402 PolarHBondContact O-N 2.93Å; Q402-D404 PolarHBondContact O-N 2.73Å; Q402-N405 PolarHBondContact O-N 3.38Å; Q402-Y406 WeakPolarHBondContact O-CB 3.25Å; Q402-Y406 VanDerWaalsContact O-CD2 3.27Å; Q402-Y406 WeakPolarHBondContact O-CD2 3.36Å; Q402-Y406 PolarHBondContact O-N 3.34Å
403	Y	98.5	Very high	97.7	Very high	35 Å²	35	45.3 Å²	45.3	14%	0.137	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-49.2	-171.8	-177.2	-90.2	0	0	0	112.9	F165 T169 K171 A172 W399 N405 Y406 A407 F425	F165-Y403 HydrophobicContact CE1-CD1 4.17Å; F165-Y403 HydrophobicContact CE1-CD2 4Å; F165-Y403 AromaticContact CE1-CG 3.72Å; F165-Y403 HydrophobicContact CE1-CG 3.72Å; F165-Y403 AromaticContact CZ-CD1 3.8Å; F165-Y403 HydrophobicContact CZ-CD1 3.8Å; F165-Y403 HydrophobicContact CZ-CD2 4.41Å; F165-Y403 AromaticContact CZ-CG 3.66Å; F165-Y403 HydrophobicContact CZ-CG 3.66Å; T169-Y403 HydrophobicContact CG2-CD1 4.17Å; T169-Y403 HydrophobicContact CG2-CE1 3.47Å; T169-Y403 VanDerWaalsContact CG2-CE1 3.47Å; T169-Y403 HydrophobicContact CG2-CE2 3.99Å; T169-Y403 WeakPolarHBondContact CG2-OH 3.4Å; K171-Y403 WeakPolarHBondContact CB-OH 3.41Å; A172-Y403 HydrophobicContact CB-CD2 3.87Å; A172-Y403 HydrophobicContact CB-CE2 3.59Å; W399-Y403 WeakPolarHBondContact O-CB 3.32Å; W399-Y403 PolarHBondContact O-N 3.37Å; Y403-N405 VanDerWaalsContact C-N 3.35Å; Y403-N405 PolarHBondContact O-N 3.28Å; Y403-Y406 PolarHBondContact O-N 3.45Å; Y403-A407 HydrophobicContact CD1-CB 4.48Å; Y403-A407 HydrophobicContact CE1-CB 4.19Å; Y403-A407 WeakPolarHBondContact O-CB 3.35Å; Y403-A407 PolarHBondContact O-N 3.47Å; Y403-F425 AromaticContact CD2-CD2 3.88Å; Y403-F425 HydrophobicContact CD2-CD2 3.88Å; Y403-F425 HydrophobicContact CD2-CE1 4.46Å; Y403-F425 AromaticContact CD2-CE2 3.31Å; Y403-F425 HydrophobicContact CD2-CE2 3.31Å; Y403-F425 AromaticContact CD2-CZ 3.64Å; Y403-F425 HydrophobicContact CD2-CZ 3.64Å; Y403-F425 AromaticContact CE2-CD2 3.52Å; Y403-F425 HydrophobicContact CE2-CD2 3.52Å; Y403-F425 AromaticContact CE2-CE2 3.29Å; Y403-F425 HydrophobicContact CE2-CE2 3.29Å; Y403-F425 HydrophobicContact CE2-CG 4.48Å; Y403-F425 HydrophobicContact CE2-CZ 4.11Å; Y403-F425 HydrophobicContact CG-CE2 4.16Å; Y403-F425 HydrophobicContact CG-CZ 4.3Å
404	D	97.9	Very high	97.7	Very high	76 Å²	76	48.5 Å²	48.5	41%	0.406	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-37.9	-173.1	-61.9	-20	0	0	0	111.5	R400 Q402 K408	R400-D404 WeakPolarHBondContact O-CB 3.45Å; R400-D404 PolarHBondContact O-N 3.44Å; Q402-D404 PolarHBondContact O-N 2.73Å; D404-K408 WeakPolarHBondContact O-CG 3.24Å; D404-K408 PolarHBondContact O-N 3.06Å
405	N	98.5	Very high	97.8	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-71.4	-45.2	178	-75.1	-65.5	0	0	0	111.8	F336 I355 L401 Q402 Y403 K408 L409	F336-N405 HydrophobicContact CD1-CB 3.77Å; F336-N405 HydrophobicContact CD2-CB 3.58Å; F336-N405 HydrophobicContact CE1-CB 3.61Å; F336-N405 HydrophobicContact CE2-CB 3.41Å; F336-N405 VanDerWaalsContact CE2-CB 3.41Å; F336-N405 HydrophobicContact CG-CB 3.76Å; F336-N405 HydrophobicContact CZ-CB 3.44Å; F336-N405 VanDerWaalsContact CZ-CB 3.44Å; I355-N405 HydrophobicContact CB-CB 4.37Å; I355-N405 WeakPolarHBondContact CB-OD1 3.34Å; I355-N405 HydrophobicContact CG1-CB 3.88Å; I355-N405 PolarHBondContact N-OD1 2.95Å; L401-N405 WeakPolarHBondContact O-CB 3.44Å; L401-N405 PolarHBondContact O-ND2 3.35Å; Q402-N405 PolarHBondContact O-N 3.38Å; Y403-N405 VanDerWaalsContact C-N 3.35Å; Y403-N405 PolarHBondContact O-N 3.28Å; N405-K408 PolarHBondContact O-N 3.31Å; N405-L409 WeakPolarHBondContact O-CG 3.47Å; N405-L409 PolarHBondContact O-N 2.96Å; N405-L409 VanDerWaalsContact O-N 3.17Å
406	Y	98.7	Very high	97.7	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-39.2	174.9	-87.9	-73.5	0	0	0	112	F334 F336 L367 L387 Q402 Y403 K408 L409 F410 F425	F334-Y406 WeakPolarHBondContact O-CE2 3.4Å; F334-Y406 PolarHBondContact O-OH 3.47Å; F334-Y406 VanDerWaalsContact O-OH 3.06Å; F336-Y406 AromaticContact CD2-CD2 3.84Å; F336-Y406 HydrophobicContact CD2-CD2 3.84Å; F336-Y406 AromaticContact CD2-CE2 3.75Å; F336-Y406 HydrophobicContact CD2-CE2 3.75Å; F336-Y406 AromaticContact CE2-CD2 3.61Å; F336-Y406 HydrophobicContact CE2-CD2 3.61Å; F336-Y406 AromaticContact CE2-CE2 3.57Å; F336-Y406 HydrophobicContact CE2-CE2 3.57Å; F336-Y406 HydrophobicContact CE2-CG 4.19Å; L367-Y406 HydrophobicContact CD2-CE1 4.11Å; L387-Y406 HydrophobicContact CD1-CD2 4.42Å; L387-Y406 HydrophobicContact CD1-CE2 3.43Å; L387-Y406 VanDerWaalsContact CD1-CE2 3.43Å; L387-Y406 VanDerWaalsContact CD1-CZ 3.47Å; L387-Y406 WeakPolarHBondContact CD1-OH 3.43Å; L387-Y406 HydrophobicContact CD2-CD2 3.69Å; L387-Y406 HydrophobicContact CD2-CE2 3.53Å; L387-Y406 HydrophobicContact CD2-CG 4.42Å; L387-Y406 HydrophobicContact CG-CE2 4.13Å; Q402-Y406 WeakPolarHBondContact O-CB 3.25Å; Q402-Y406 VanDerWaalsContact O-CD2 3.27Å; Q402-Y406 WeakPolarHBondContact O-CD2 3.36Å; Q402-Y406 PolarHBondContact O-N 3.34Å; Y403-Y406 PolarHBondContact O-N 3.45Å; Y406-K408 PolarHBondContact O-N 3.04Å; Y406-L409 WeakPolarHBondContact O-CB 3.13Å; Y406-L409 PolarHBondContact O-N 3.11Å; Y406-F410 AromaticContact CD1-CE1 3.51Å; Y406-F410 HydrophobicContact CD1-CE1 3.51Å; Y406-F410 AromaticContact CD1-CZ 3.52Å; Y406-F410 HydrophobicContact CD1-CZ 3.52Å; Y406-F410 HydrophobicContact CE1-CE1 4.37Å; Y406-F410 HydrophobicContact CE1-CZ 4.45Å; Y406-F410 HydrophobicContact CG-CE1 4.33Å; Y406-F410 HydrophobicContact CG-CZ 4.03Å; Y406-F410 WeakPolarHBondContact O-CB 3.36Å; Y406-F410 WeakPolarHBondContact O-CD1 3.38Å; Y406-F410 WeakPolarHBondContact O-CG 3.42Å; Y406-F410 PolarHBondContact O-N 3.13Å; Y406-F425 VanDerWaalsContact CB-CZ 3.47Å; Y406-F425 HydrophobicContact CG-CE1 4.5Å; Y406-F425 HydrophobicContact CG-CZ 4.38Å
407	A	98.4	Very high	97.6	Very high	29 Å²	29	53.3 Å²	53.3	24%	0.24	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-44.7	177.4	0	0	0	0	0	112.1	Y403 F410 E411	Y403-A407 HydrophobicContact CD1-CB 4.48Å; Y403-A407 HydrophobicContact CE1-CB 4.19Å; Y403-A407 WeakPolarHBondContact O-CB 3.35Å; Y403-A407 PolarHBondContact O-N 3.47Å; A407-F410 PolarHBondContact O-N 2.92Å; A407-E411 WeakPolarHBondContact O-CB 3.48Å; A407-E411 PolarHBondContact O-N 2.91Å
408	K	98.4	Very high	97.4	Very high	94 Å²	94	55.5 Å²	55.5	41%	0.409	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-46.4	173.8	-70.4	174.5	-172.2	-176.9	0	111.8	I355 I360 D404 N405 Y406 F410 E411 F412	I355-K408 HydrophobicContact CB-CD 4.31Å; I355-K408 HydrophobicContact CG2-CB 3.98Å; I355-K408 HydrophobicContact CG2-CD 4.21Å; I355-K408 WeakPolarHBondContact O-CD 3.47Å; I355-K408 PolarHBondContact O-NZ 3Å; I360-K408 HydrophobicContact CD1-CB 4.39Å; D404-K408 WeakPolarHBondContact O-CG 3.24Å; D404-K408 PolarHBondContact O-N 3.06Å; N405-K408 PolarHBondContact O-N 3.31Å; Y406-K408 PolarHBondContact O-N 3.04Å; K408-F410 PolarHBondContact O-N 3.39Å; K408-E411 PolarHBondContact O-N 2.96Å; K408-F412 WeakPolarHBondContact O-CB 3.26Å; K408-F412 PolarHBondContact O-N 3.37Å
409	L	98.7	Very high	97.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-44.4	178.2	-70.1	169.4	0	0	0	111.5	F334 F336 I355 R363 A364 L367 N405 Y406 F412 M413	F334-L409 HydrophobicContact CD1-CD1 4Å; F334-L409 HydrophobicContact CE1-CD1 4.09Å; F336-L409 HydrophobicContact CE2-CD1 4.47Å; F336-L409 HydrophobicContact CZ-CD1 4Å; I355-L409 HydrophobicContact CD1-CD1 4.15Å; I355-L409 HydrophobicContact CD1-CD2 4Å; I355-L409 HydrophobicContact CD1-CG 4.25Å; I355-L409 HydrophobicContact CG1-CD1 4Å; I355-L409 HydrophobicContact CG1-CD2 4.19Å; I355-L409 HydrophobicContact CG1-CG 3.96Å; I355-L409 HydrophobicContact CG2-CD2 4.09Å; I355-L409 HydrophobicContact CG2-CG 4.2Å; R363-L409 HydrophobicContact CB-CD2 4.05Å; A364-L409 HydrophobicContact CB-CD2 3.95Å; L367-L409 HydrophobicContact CD2-CD1 3.98Å; N405-L409 WeakPolarHBondContact O-CG 3.47Å; N405-L409 PolarHBondContact O-N 2.96Å; N405-L409 VanDerWaalsContact O-N 3.17Å; Y406-L409 WeakPolarHBondContact O-CB 3.13Å; Y406-L409 PolarHBondContact O-N 3.11Å; L409-F412 PolarHBondContact O-N 3Å; L409-M413 HydrophobicContact CB-CE 4.03Å; L409-M413 WeakPolarHBondContact O-CB 3.42Å; L409-M413 WeakPolarHBondContact O-CE 3.28Å; L409-M413 VanDerWaalsContact O-CG 3.31Å; L409-M413 WeakPolarHBondContact O-CG 3.29Å; L409-M413 PolarHBondContact O-N 3.47Å
410	F	98.5	Very high	97.2	Very high	10 Å²	10	57 Å²	57	4%	0.044	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-45.5	179.8	-61.9	-9.6	0	0	0	111.6	V133 Y406 A407 K408 F412 M413 N414 V423 F425	V133-F410 HydrophobicContact CB-CE2 4.43Å; V133-F410 HydrophobicContact CB-CZ 3.81Å; V133-F410 HydrophobicContact CG1-CZ 4.25Å; V133-F410 HydrophobicContact CG2-CE1 3.99Å; V133-F410 HydrophobicContact CG2-CE2 4.47Å; V133-F410 HydrophobicContact CG2-CZ 3.53Å; Y406-F410 AromaticContact CD1-CE1 3.51Å; Y406-F410 HydrophobicContact CD1-CE1 3.51Å; Y406-F410 AromaticContact CD1-CZ 3.52Å; Y406-F410 HydrophobicContact CD1-CZ 3.52Å; Y406-F410 HydrophobicContact CE1-CE1 4.37Å; Y406-F410 HydrophobicContact CE1-CZ 4.45Å; Y406-F410 HydrophobicContact CG-CE1 4.33Å; Y406-F410 HydrophobicContact CG-CZ 4.03Å; Y406-F410 WeakPolarHBondContact O-CB 3.36Å; Y406-F410 WeakPolarHBondContact O-CD1 3.38Å; Y406-F410 WeakPolarHBondContact O-CG 3.42Å; Y406-F410 PolarHBondContact O-N 3.13Å; A407-F410 PolarHBondContact O-N 2.92Å; K408-F410 PolarHBondContact O-N 3.39Å; F410-F412 VanDerWaalsContact C-N 3.32Å; F410-F412 PolarHBondContact O-N 3.43Å; F410-M413 HydrophobicContact CD1-CE 3.68Å; F410-M413 HydrophobicContact CE1-CE 4.28Å; F410-M413 PolarHBondContact O-N 3.45Å; F410-N414 VanDerWaalsContact O-CB 3.23Å; F410-N414 WeakPolarHBondContact O-CB 2.96Å; F410-N414 PolarHBondContact O-N 2.95Å; F410-N414 PolarHBondContact O-ND2 3.26Å; F410-N414 VanDerWaalsContact O-ND2 3.13Å; F410-V423 HydrophobicContact CD1-CB 3.89Å; F410-V423 HydrophobicContact CD1-CG1 3.29Å; F410-V423 HydrophobicContact CD2-CG1 4.49Å; F410-V423 HydrophobicContact CE1-CB 4.36Å; F410-V423 HydrophobicContact CE1-CG1 3.27Å; F410-V423 HydrophobicContact CE2-CG1 4.48Å; F410-V423 HydrophobicContact CG-CB 4.27Å; F410-V423 HydrophobicContact CG-CG1 3.94Å; F410-V423 HydrophobicContact CZ-CG1 3.93Å; F410-F425 HydrophobicContact CD2-CD2 4.15Å; F410-F425 HydrophobicContact CD2-CE2 4.02Å; F410-F425 HydrophobicContact CD2-CZ 4.43Å; F410-F425 AromaticContact CE2-CD1 3.91Å; F410-F425 HydrophobicContact CE2-CD1 3.91Å; F410-F425 AromaticContact CE2-CD2 3.76Å; F410-F425 HydrophobicContact CE2-CD2 3.76Å; F410-F425 AromaticContact CE2-CE1 3.8Å; F410-F425 HydrophobicContact CE2-CE1 3.8Å; F410-F425 AromaticContact CE2-CE2 3.64Å; F410-F425 HydrophobicContact CE2-CE2 3.64Å; F410-F425 AromaticContact CE2-CG 3.89Å; F410-F425 HydrophobicContact CE2-CG 3.89Å; F410-F425 AromaticContact CE2-CZ 3.68Å; F410-F425 HydrophobicContact CE2-CZ 3.68Å; F410-F425 HydrophobicContact CZ-CD1 4.49Å; F410-F425 HydrophobicContact CZ-CE1 4.22Å; F410-F425 HydrophobicContact CZ-CZ 4.32Å
411	E	98.2	Very high	97.3	Very high	151 Å²	151	52.3 Å²	52.3	71%	0.706	26%	0.26	S	S	*	.	H	α-helix	trans	-57.5	-47.4	176.3	-177.4	173.2	-175.5	0	0	111.1	A407 K408 A415	A407-E411 WeakPolarHBondContact O-CB 3.48Å; A407-E411 PolarHBondContact O-N 2.91Å; K408-E411 PolarHBondContact O-N 2.96Å; E411-A415 WeakPolarHBondContact O-CB 3.32Å; E411-A415 PolarHBondContact O-N 3.2Å; E411-A415 VanDerWaalsContact O-N 3.11Å
412	F	98.5	Very high	97.3	Very high	44 Å²	44	53.9 Å²	53.9	19%	0.193	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-51.9	176.9	-174	-91.2	0	0	0	112.1	I360 L361 A364 K408 L409 F410 N414 A415 Q416 W419	I360-F412 HydrophobicContact CD1-CB 3.6Å; I360-F412 HydrophobicContact CD1-CD2 3.88Å; I360-F412 HydrophobicContact CD1-CG 3.91Å; I360-F412 HydrophobicContact CG1-CB 3.81Å; I360-F412 HydrophobicContact CG1-CD1 4.33Å; I360-F412 HydrophobicContact CG1-CD2 3.92Å; I360-F412 HydrophobicContact CG1-CG 3.76Å; I360-F412 HydrophobicContact CG2-CD2 3.97Å; I360-F412 HydrophobicContact CG2-CE2 3.95Å; L361-F412 HydrophobicContact CB-CE1 4.44Å; L361-F412 HydrophobicContact CB-CZ 4.03Å; L361-F412 HydrophobicContact CD1-CE1 3.93Å; L361-F412 HydrophobicContact CD1-CZ 3.79Å; A364-F412 HydrophobicContact CB-CD1 3.68Å; A364-F412 HydrophobicContact CB-CE1 4.18Å; K408-F412 WeakPolarHBondContact O-CB 3.26Å; K408-F412 PolarHBondContact O-N 3.37Å; L409-F412 PolarHBondContact O-N 3Å; F410-F412 VanDerWaalsContact C-N 3.32Å; F410-F412 PolarHBondContact O-N 3.43Å; F412-N414 VanDerWaalsContact C-N 3.34Å; F412-N414 PolarHBondContact O-N 3.02Å; F412-A415 PolarHBondContact O-N 2.9Å; F412-A415 VanDerWaalsContact O-N 3.16Å; F412-Q416 HydrophobicContact CD1-CG 4.28Å; F412-Q416 HydrophobicContact CE1-CG 3.98Å; F412-Q416 HydrophobicContact CZ-CG 4.42Å; F412-Q416 WeakPolarHBondContact O-CG 3.44Å; F412-Q416 PolarHBondContact O-N 2.76Å; F412-W419 HydrophobicContact CD1-CH2 4.21Å; F412-W419 HydrophobicContact CD1-CZ3 4.2Å; F412-W419 AromaticContact CE1-CH2 3.68Å; F412-W419 HydrophobicContact CE1-CH2 3.68Å; F412-W419 HydrophobicContact CE1-CZ2 4.24Å; F412-W419 HydrophobicContact CE1-CZ3 4.12Å
413	M	98.3	Very high	97.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-44.6	179.8	-78.4	-173.1	-75.2	0	0	112.4	A364 L367 L368 L409 F410 A415 Q416 W419 V421 V423	A364-M413 HydrophobicContact CB-CG 3.98Å; L367-M413 HydrophobicContact CD2-CE 4.23Å; L368-M413 HydrophobicContact CB-SD 4.09Å; L409-M413 HydrophobicContact CB-CE 4.03Å; L409-M413 WeakPolarHBondContact O-CB 3.42Å; L409-M413 WeakPolarHBondContact O-CE 3.28Å; L409-M413 VanDerWaalsContact O-CG 3.31Å; L409-M413 WeakPolarHBondContact O-CG 3.29Å; L409-M413 PolarHBondContact O-N 3.47Å; F410-M413 HydrophobicContact CD1-CE 3.68Å; F410-M413 HydrophobicContact CE1-CE 4.28Å; F410-M413 PolarHBondContact O-N 3.45Å; M413-A415 VanDerWaalsContact C-N 3.28Å; M413-A415 PolarHBondContact O-N 3.45Å; M413-Q416 PolarHBondContact O-N 2.94Å; M413-W419 HydrophobicContact CB-CE3 4.39Å; M413-W419 HydrophobicContact CG-CE3 3.98Å; M413-W419 HydrophobicContact CG-CZ3 3.77Å; M413-V421 HydrophobicContact CB-CG1 4.07Å; M413-V423 HydrophobicContact CB-CG2 4.43Å; M413-V423 HydrophobicContact CE-CB 4.2Å; M413-V423 HydrophobicContact CE-CG1 4.2Å; M413-V423 HydrophobicContact CE-CG2 3.95Å; M413-V423 HydrophobicContact SD-CG2 4Å
414	N	98.1	Very high	97.4	Very high	71 Å²	71	55.5 Å²	55.5	38%	0.38	28%	0.276	S	S	.	.	H	α-helix	trans	-70.2	-24.6	-178.7	-67.4	-21.8	0	0	0	112.7	F410 F412 Q422 V423	F410-N414 VanDerWaalsContact O-CB 3.23Å; F410-N414 WeakPolarHBondContact O-CB 2.96Å; F410-N414 PolarHBondContact O-N 2.95Å; F410-N414 PolarHBondContact O-ND2 3.26Å; F410-N414 VanDerWaalsContact O-ND2 3.13Å; F412-N414 VanDerWaalsContact C-N 3.34Å; F412-N414 PolarHBondContact O-N 3.02Å; N414-Q422 VanDerWaalsContact OD1-CA 3.29Å; N414-Q422 WeakPolarHBondContact OD1-CA 3.06Å; N414-V423 PolarHBondContact ND2-O 2.93Å; N414-V423 PolarHBondContact OD1-N 3.17Å
415	A	98	Very high	97.4	Very high	69 Å²	69	52.8 Å²	52.8	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-76.3	-25.7	174.6	0	0	0	0	0	112.9	E411 F412 M413 K417	E411-A415 WeakPolarHBondContact O-CB 3.32Å; E411-A415 PolarHBondContact O-N 3.2Å; E411-A415 VanDerWaalsContact O-N 3.11Å; F412-A415 PolarHBondContact O-N 2.9Å; F412-A415 VanDerWaalsContact O-N 3.16Å; M413-A415 VanDerWaalsContact C-N 3.28Å; M413-A415 PolarHBondContact O-N 3.45Å; A415-K417 PolarHBondContact O-N 3.44Å
416	Q	95.6	Very high	97.4	Very high	68 Å²	68	52.4 Å²	52.4	32%	0.318	26%	0.258	S	S	.	.			trans	-77.8	89	178.9	-58.2	-51	-35	0	0	111.5	F412 M413 E418 W419	F412-Q416 HydrophobicContact CD1-CG 4.28Å; F412-Q416 HydrophobicContact CE1-CG 3.98Å; F412-Q416 HydrophobicContact CZ-CG 4.42Å; F412-Q416 WeakPolarHBondContact O-CG 3.44Å; F412-Q416 PolarHBondContact O-N 2.76Å; M413-Q416 PolarHBondContact O-N 2.94Å; Q416-E418 PolarHBondContact O-N 3.37Å; Q416-E418 VanDerWaalsContact O-N 3.15Å; Q416-W419 HydrophobicContact CB-CB 3.94Å; Q416-W419 HydrophobicContact CB-CD2 3.56Å; Q416-W419 HydrophobicContact CB-CE3 4.02Å; Q416-W419 HydrophobicContact CB-CG 3.5Å; Q416-W419 VanDerWaalsContact CB-CG 3.5Å; Q416-W419 HydrophobicContact CG-CD2 3.79Å; Q416-W419 HydrophobicContact CG-CE3 4Å; Q416-W419 HydrophobicContact CG-CG 4.25Å; Q416-W419 HydrophobicContact CG-CH2 4.49Å; Q416-W419 HydrophobicContact CG-CZ2 4.24Å; Q416-W419 HydrophobicContact CG-CZ3 4.36Å; Q416-W419 WeakPolarHBondContact O-CB 3.48Å; Q416-W419 PolarHBondContact O-N 3.38Å
417	K	92.9	Very high	97.4	Very high	178 Å²	178	52.6 Å²	52.6	77%	0.774	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-53.6	-37.9	-179.2	-67.9	-176.4	-179.3	177.3	0	113.6	A415 W419 N420	A415-K417 PolarHBondContact O-N 3.44Å; K417-W419 PolarHBondContact O-N 3.39Å; K417-N420 PolarHBondContact O-N 2.86Å
418	E	92.4	Very high	97.4	Very high	156 Å²	156	51.2 Å²	51.2	73%	0.729	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.6	-24.1	-179.7	-62.3	-176	175.4	0	0	113	Q416 N420	Q416-E418 PolarHBondContact O-N 3.37Å; Q416-E418 VanDerWaalsContact O-N 3.15Å; E418-N420 VanDerWaalsContact C-N 3.26Å; E418-N420 PolarHBondContact O-N 3.37Å
419	W	94.7	Very high	97.4	Very high	41 Å²	41	48.6 Å²	48.6	16%	0.155	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-77	-16.6	-179.7	-66.6	12.3	0	0	0	112.3	L361 A364 S365 L368 R372 F412 M413 Q416 K417 V421	L361-W419 HydrophobicContact CD1-CH2 4.21Å; L361-W419 HydrophobicContact CD1-CZ2 3.9Å; A364-W419 HydrophobicContact CB-CH2 4.03Å; A364-W419 HydrophobicContact CB-CZ3 3.84Å; S365-W419 WeakPolarHBondContact OG-CH2 3.47Å; S365-W419 WeakPolarHBondContact OG-CZ2 3.21Å; L368-W419 HydrophobicContact CD2-CB 3.92Å; L368-W419 HydrophobicContact CD2-CD2 3.81Å; L368-W419 HydrophobicContact CD2-CE3 3.43Å; L368-W419 VanDerWaalsContact CD2-CE3 3.43Å; L368-W419 HydrophobicContact CD2-CG 4.06Å; L368-W419 HydrophobicContact CD2-CZ3 4.11Å; R372-W419 PolarHBondContact NH2-O 3.46Å; F412-W419 HydrophobicContact CD1-CH2 4.21Å; F412-W419 HydrophobicContact CD1-CZ3 4.2Å; F412-W419 AromaticContact CE1-CH2 3.68Å; F412-W419 HydrophobicContact CE1-CH2 3.68Å; F412-W419 HydrophobicContact CE1-CZ2 4.24Å; F412-W419 HydrophobicContact CE1-CZ3 4.12Å; M413-W419 HydrophobicContact CB-CE3 4.39Å; M413-W419 HydrophobicContact CG-CE3 3.98Å; M413-W419 HydrophobicContact CG-CZ3 3.77Å; Q416-W419 HydrophobicContact CB-CB 3.94Å; Q416-W419 HydrophobicContact CB-CD2 3.56Å; Q416-W419 HydrophobicContact CB-CE3 4.02Å; Q416-W419 HydrophobicContact CB-CG 3.5Å; Q416-W419 VanDerWaalsContact CB-CG 3.5Å; Q416-W419 HydrophobicContact CG-CD2 3.79Å; Q416-W419 HydrophobicContact CG-CE3 4Å; Q416-W419 HydrophobicContact CG-CG 4.25Å; Q416-W419 HydrophobicContact CG-CH2 4.49Å; Q416-W419 HydrophobicContact CG-CZ2 4.24Å; Q416-W419 HydrophobicContact CG-CZ3 4.36Å; Q416-W419 WeakPolarHBondContact O-CB 3.48Å; Q416-W419 PolarHBondContact O-N 3.38Å; K417-W419 PolarHBondContact O-N 3.39Å; W419-V421 VanDerWaalsContact C-N 3.28Å; W419-V421 HydrophobicContact CB-CG1 4.16Å; W419-V421 PolarHBondContact O-N 3.42Å
420	N	96.2	Very high	97.4	Very high	21 Å²	21	51 Å²	51	11%	0.112	25%	0.25	C	S	.	.			trans	47.3	48.5	175.3	-163.9	25.3	0	0	0	113.4	G123 G126 K128 L129 K417 E418	G123-N420 WeakPolarHBondContact O-CB 3.17Å; G123-N420 PolarHBondContact O-ND2 2.76Å; G126-N420 PolarHBondContact O-ND2 2.77Å; K128-N420 WeakPolarHBondContact CA-O 3.04Å; K128-N420 WeakPolarHBondContact CB-OD1 3.36Å; K128-N420 WeakPolarHBondContact CG-O 3.28Å; L129-N420 PolarHBondContact N-O 2.64Å; L129-N420 VanDerWaalsContact N-O 3.07Å; K417-N420 PolarHBondContact O-N 2.86Å; E418-N420 VanDerWaalsContact C-N 3.26Å; E418-N420 PolarHBondContact O-N 3.37Å
421	V	97.7	Very high	97.5	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.4	-178.5	68.7	0	0	0	0	110.3	L129 V131 L368 M413 W419 V423	L129-V421 HydrophobicContact CB-CG2 4.2Å; L129-V421 HydrophobicContact CD2-CG2 4.34Å; L129-V421 HydrophobicContact CG-CG2 4.32Å; L129-V421 CarbonylContact O-C 3.59Å; L129-V421 WeakPolarHBondContact O-CA 3.4Å; L129-V421 WeakPolarHBondContact O-CG2 3.19Å; V131-V421 HydrophobicContact CG2-CG2 4.3Å; L368-V421 HydrophobicContact CD1-CB 4.08Å; L368-V421 HydrophobicContact CD1-CG1 4.2Å; L368-V421 HydrophobicContact CD1-CG2 3.78Å; L368-V421 HydrophobicContact CD2-CG1 4.3Å; M413-V421 HydrophobicContact CB-CG1 4.07Å; W419-V421 VanDerWaalsContact C-N 3.28Å; W419-V421 HydrophobicContact CB-CG1 4.16Å; W419-V421 PolarHBondContact O-N 3.42Å; V421-V423 HydrophobicContact CG1-CG2 4.4Å; V421-V423 HydrophobicContact CG2-CG2 3.49Å; V421-V423 VanDerWaalsContact CG2-CG2 3.49Å
422	Q	98.1	Very high	97.5	Very high	66 Å²	66	43.3 Å²	43.3	31%	0.308	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	108.6	165.6	175.8	179.2	-8.7	0	0	108.1	K128 L129 K130 V131 N414	K128-Q422 HydrophobicContact CD-CB 4.03Å; L129-Q422 PolarHBondContact O-N 3.02Å; K130-Q422 CarbonylContact C-O 3.53Å; K130-Q422 WeakPolarHBondContact CA-O 3.47Å; V131-Q422 PolarHBondContact N-O 3.15Å; N414-Q422 VanDerWaalsContact OD1-CA 3.29Å; N414-Q422 WeakPolarHBondContact OD1-CA 3.06Å
423	V	98.6	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.7	178.4	-168	0	0	0	0	109.5	V131 V133 Y371 F410 M413 N414 V421	V131-V423 HydrophobicContact CB-CB 4.35Å; V131-V423 HydrophobicContact CB-CG1 4Å; V131-V423 HydrophobicContact CB-CG2 4.12Å; V131-V423 HydrophobicContact CG1-CG1 4.17Å; V131-V423 HydrophobicContact CG2-CG2 4.22Å; V131-V423 WeakPolarHBondContact O-CA 3.45Å; V133-V423 HydrophobicContact CG2-CG1 4.2Å; Y371-V423 HydrophobicContact CE2-CG1 4.12Å; F410-V423 HydrophobicContact CD1-CB 3.89Å; F410-V423 HydrophobicContact CD1-CG1 3.29Å; F410-V423 HydrophobicContact CD2-CG1 4.49Å; F410-V423 HydrophobicContact CE1-CB 4.36Å; F410-V423 HydrophobicContact CE1-CG1 3.27Å; F410-V423 HydrophobicContact CE2-CG1 4.48Å; F410-V423 HydrophobicContact CG-CB 4.27Å; F410-V423 HydrophobicContact CG-CG1 3.94Å; F410-V423 HydrophobicContact CZ-CG1 3.93Å; M413-V423 HydrophobicContact CB-CG2 4.43Å; M413-V423 HydrophobicContact CE-CB 4.2Å; M413-V423 HydrophobicContact CE-CG1 4.2Å; M413-V423 HydrophobicContact CE-CG2 3.95Å; M413-V423 HydrophobicContact SD-CG2 4Å; N414-V423 PolarHBondContact ND2-O 2.93Å; N414-V423 PolarHBondContact OD1-N 3.17Å; V421-V423 HydrophobicContact CG1-CG2 4.4Å; V421-V423 HydrophobicContact CG2-CG2 3.49Å; V421-V423 VanDerWaalsContact CG2-CG2 3.49Å
424	Q	98.7	Very high	97.4	Very high	71 Å²	71	44 Å²	44	33%	0.332	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	161	177.5	60.7	-166.9	-9.1	0	0	111.3	V131 F132 V133	V131-Q424 PolarHBondContact O-N 3.28Å; F132-Q424 HydrophobicContact CD1-CG 4.1Å; F132-Q424 HydrophobicContact CE1-CG 4.16Å; V133-Q424 PolarHBondContact N-O 2.86Å
425	F	98.8	Very high	97.4	Very high	19 Å²	19	40.6 Å²	40.6	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	143.1	162.8	-65.1	-70.4	0	0	0	109.8	V133 P135 K173 L387 Y403 Y406 F410	V133-F425 HydrophobicContact CB-CD1 4.44Å; V133-F425 HydrophobicContact CG1-CD1 4.44Å; V133-F425 HydrophobicContact CG1-CE1 4.49Å; V133-F425 CarbonylContact O-C 3.57Å; V133-F425 VanDerWaalsContact O-CA 3.28Å; V133-F425 WeakPolarHBondContact O-CA 3.39Å; P135-F425 HydrophobicContact CG-CD1 3.86Å; P135-F425 HydrophobicContact CG-CE1 4.23Å; K173-F425 HydrophobicContact CB-CB 4.16Å; K173-F425 HydrophobicContact CG-CB 3.98Å; L387-F425 HydrophobicContact CD2-CE1 4.31Å; Y403-F425 AromaticContact CD2-CD2 3.88Å; Y403-F425 HydrophobicContact CD2-CD2 3.88Å; Y403-F425 HydrophobicContact CD2-CE1 4.46Å; Y403-F425 AromaticContact CD2-CE2 3.31Å; Y403-F425 HydrophobicContact CD2-CE2 3.31Å; Y403-F425 AromaticContact CD2-CZ 3.64Å; Y403-F425 HydrophobicContact CD2-CZ 3.64Å; Y403-F425 AromaticContact CE2-CD2 3.52Å; Y403-F425 HydrophobicContact CE2-CD2 3.52Å; Y403-F425 AromaticContact CE2-CE2 3.29Å; Y403-F425 HydrophobicContact CE2-CE2 3.29Å; Y403-F425 HydrophobicContact CE2-CG 4.48Å; Y403-F425 HydrophobicContact CE2-CZ 4.11Å; Y403-F425 HydrophobicContact CG-CE2 4.16Å; Y403-F425 HydrophobicContact CG-CZ 4.3Å; Y406-F425 VanDerWaalsContact CB-CZ 3.47Å; Y406-F425 HydrophobicContact CG-CE1 4.5Å; Y406-F425 HydrophobicContact CG-CZ 4.38Å; F410-F425 HydrophobicContact CD2-CD2 4.15Å; F410-F425 HydrophobicContact CD2-CE2 4.02Å; F410-F425 HydrophobicContact CD2-CZ 4.43Å; F410-F425 AromaticContact CE2-CD1 3.91Å; F410-F425 HydrophobicContact CE2-CD1 3.91Å; F410-F425 AromaticContact CE2-CD2 3.76Å; F410-F425 HydrophobicContact CE2-CD2 3.76Å; F410-F425 AromaticContact CE2-CE1 3.8Å; F410-F425 HydrophobicContact CE2-CE1 3.8Å; F410-F425 AromaticContact CE2-CE2 3.64Å; F410-F425 HydrophobicContact CE2-CE2 3.64Å; F410-F425 AromaticContact CE2-CG 3.89Å; F410-F425 HydrophobicContact CE2-CG 3.89Å; F410-F425 AromaticContact CE2-CZ 3.68Å; F410-F425 HydrophobicContact CE2-CZ 3.68Å; F410-F425 HydrophobicContact CZ-CD1 4.49Å; F410-F425 HydrophobicContact CZ-CE1 4.22Å; F410-F425 HydrophobicContact CZ-CZ 4.32Å
426	G	98.6	Very high	97.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.			trans	-148	178.3	-179.1	0	0	0	0	0	112.5	V133 K173 D430	V133-G426 PolarHBondContact O-N 3.46Å; K173-G426 WeakPolarHBondContact CB-O 2.98Å; G426-D430 WeakPolarHBondContact CA-OD2 3.17Å
427	T	98.8	Very high	97.4	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.031	19%	0.191	C	C	.	.			trans	-115.7	179.2	169.3	62.3	0	0	0	0	109.1	K173 I175 E207 E429 D430 Y431	K173-T427 HydrophobicContact CB-CG2 4.1Å; K173-T427 HydrophobicContact CD-CG2 4.1Å; K173-T427 HydrophobicContact CG-CG2 4.44Å; I175-T427 HydrophobicContact CG2-CG2 4.41Å; E207-T427 HydrophobicContact CB-CG2 4.01Å; E207-T427 WeakPolarHBondContact OE2-CB 3.26Å; E207-T427 PolarHBondContact OE2-OG1 2.89Å; T427-E429 VanDerWaalsContact C-N 3.31Å; T427-D430 PolarHBondContact N-OD2 3.3Å; T427-D430 PolarHBondContact O-N 3.16Å; T427-D430 VanDerWaalsContact OG1-CG 3.3Å; T427-D430 PolarHBondContact OG1-N 3.34Å; T427-D430 PolarHBondContact OG1-OD2 3.11Å; T427-Y431 PolarHBondContact O-N 3.28Å
428	L	98.7	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.6	-36.6	175.2	-70	-175.8	0	0	0	111	I175 E207 V209 N247 W249 A273 L384 D430 Y431 F432	I175-L428 HydrophobicContact CD1-CD1 4.44Å; I175-L428 HydrophobicContact CD1-CG 4.19Å; E207-L428 PolarHBondContact OE2-N 3.28Å; V209-L428 HydrophobicContact CB-CD1 4.09Å; V209-L428 HydrophobicContact CG1-CB 4.36Å; V209-L428 HydrophobicContact CG1-CD1 3.55Å; V209-L428 HydrophobicContact CG1-CG 4.04Å; N247-L428 HydrophobicContact CB-CB 3.8Å; N247-L428 HydrophobicContact CB-CD1 3.99Å; W249-L428 HydrophobicContact CB-CD1 4.26Å; W249-L428 HydrophobicContact CD2-CD1 4.49Å; W249-L428 HydrophobicContact CE3-CD1 3.72Å; W249-L428 HydrophobicContact CE3-CD2 4.03Å; W249-L428 HydrophobicContact CE3-CG 4.32Å; W249-L428 HydrophobicContact CZ3-CD1 4.46Å; W249-L428 HydrophobicContact CZ3-CD2 3.94Å; A273-L428 HydrophobicContact CB-CD1 4.48Å; A273-L428 HydrophobicContact CB-CD2 4.43Å; L384-L428 HydrophobicContact CD1-CD2 4Å; L384-L428 HydrophobicContact CD2-CD2 3.89Å; L428-D430 VanDerWaalsContact C-N 3.31Å; L428-D430 PolarHBondContact O-N 2.8Å; L428-Y431 PolarHBondContact O-N 3.48Å; L428-F432 HydrophobicContact CB-CD2 4.2Å; L428-F432 HydrophobicContact CB-CE2 4.26Å; L428-F432 HydrophobicContact CD2-CE2 4.48Å; L428-F432 VanDerWaalsContact O-CD2 3.25Å; L428-F432 WeakPolarHBondContact O-CD2 3.35Å; L428-F432 PolarHBondContact O-N 3.07Å
429	E	98.4	Very high	97.7	Very high	40 Å²	40	24 Å²	24	19%	0.187	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-42.4	175.6	-179.5	72.4	163.8	0	0	111.5	E207 K246 N247 T427 Y431 S433	E207-E429 PolarHBondContact OE2-N 3.44Å; K246-E429 WeakPolarHBondContact CD-OE1 3.49Å; K246-E429 WeakPolarHBondContact CD-OE2 3.13Å; K246-E429 IonicContact NZ-OE1 2.76Å; K246-E429 PolarHBondContact NZ-OE1 3.14Å; N247-E429 WeakPolarHBondContact ND2-CA 3.3Å; N247-E429 PolarHBondContact ND2-N 3.48Å; N247-E429 PolarHBondContact ND2-OE2 3.18Å; N247-E429 VanDerWaalsContact ND2-OE2 3.17Å; T427-E429 VanDerWaalsContact C-N 3.31Å; E429-Y431 VanDerWaalsContact C-N 3.34Å; E429-Y431 PolarHBondContact O-N 3.39Å; E429-S433 WeakPolarHBondContact O-CB 3.27Å; E429-S433 PolarHBondContact O-N 3.39Å; E429-S433 PolarHBondContact O-OG 3.06Å
430	D	98.6	Very high	97.5	Very high	49 Å²	49	26.6 Å²	26.6	26%	0.262	13%	0.133	S	C	.	.	H	α-helix	trans	-61.7	-43	178.1	-66.4	-54.4	0	0	0	111.2	F132 K173 G426 T427 L428 A434	F132-D430 HydrophobicContact CD1-CB 3.74Å; F132-D430 HydrophobicContact CE1-CB 3.68Å; K173-D430 IonicContact NZ-OD2 3.41Å; K173-D430 PolarHBondContact NZ-OD2 2.8Å; G426-D430 WeakPolarHBondContact CA-OD2 3.17Å; T427-D430 PolarHBondContact N-OD2 3.3Å; T427-D430 PolarHBondContact O-N 3.16Å; T427-D430 VanDerWaalsContact OG1-CG 3.3Å; T427-D430 PolarHBondContact OG1-N 3.34Å; T427-D430 PolarHBondContact OG1-OD2 3.11Å; L428-D430 VanDerWaalsContact C-N 3.31Å; L428-D430 PolarHBondContact O-N 2.8Å; D430-A434 VanDerWaalsContact O-CB 3.3Å; D430-A434 WeakPolarHBondContact O-CB 3.34Å; D430-A434 PolarHBondContact O-N 2.85Å
431	Y	98.8	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-55.1	177.6	164.1	-104.7	0	0	0	112.2	F132 E292 H311 V382 L384 T427 L428 E429 S433 A434 L435	F132-Y431 HydrophobicContact CD2-CD2 4.46Å; E292-Y431 PolarHBondContact OE1-OH 2.88Å; H311-Y431 PolarHBondContact CE1-OH 3.26Å; H311-Y431 AromaticContact ND1-CE1 3.91Å; H311-Y431 AromaticContact ND1-CZ 3.6Å; H311-Y431 PolarHBondContact ND1-OH 2.89Å; V382-Y431 HydrophobicContact CG1-CD2 3.62Å; V382-Y431 HydrophobicContact CG1-CE2 3.79Å; L384-Y431 HydrophobicContact CB-CD1 4.07Å; L384-Y431 HydrophobicContact CB-CD2 3.63Å; L384-Y431 HydrophobicContact CB-CE1 4.05Å; L384-Y431 HydrophobicContact CB-CE2 3.65Å; L384-Y431 HydrophobicContact CB-CG 3.87Å; L384-Y431 HydrophobicContact CD1-CD1 4.27Å; L384-Y431 HydrophobicContact CD1-CD2 4.48Å; L384-Y431 HydrophobicContact CD1-CG 4.01Å; L384-Y431 HydrophobicContact CD2-CD1 3.94Å; L384-Y431 HydrophobicContact CD2-CE1 4.01Å; L384-Y431 HydrophobicContact CD2-CG 4.42Å; L384-Y431 HydrophobicContact CG-CD1 4.32Å; L384-Y431 HydrophobicContact CG-CG 4.32Å; T427-Y431 PolarHBondContact O-N 3.28Å; L428-Y431 PolarHBondContact O-N 3.48Å; E429-Y431 VanDerWaalsContact C-N 3.34Å; E429-Y431 PolarHBondContact O-N 3.39Å; Y431-S433 VanDerWaalsContact C-N 3.33Å; Y431-S433 PolarHBondContact O-N 2.83Å; Y431-A434 PolarHBondContact O-N 3.27Å; Y431-L435 HydrophobicContact CE1-CD2 4.38Å; Y431-L435 WeakPolarHBondContact O-CB 3.27Å; Y431-L435 PolarHBondContact O-N 3.39Å
432	F	98.4	Very high	97.2	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-36.4	-176.2	-75.8	-63.6	0	0	0	111.9	N247 N271 F309 H311 L428 L435 E436	N247-F432 HydrophobicContact CB-CD2 4.35Å; N247-F432 HydrophobicContact CB-CE2 4.4Å; N247-F432 WeakPolarHBondContact OD1-CD2 3.45Å; N271-F432 HydrophobicContact CB-CB 4.35Å; N271-F432 HydrophobicContact CB-CD1 3.71Å; N271-F432 HydrophobicContact CB-CD2 3.53Å; N271-F432 HydrophobicContact CB-CE1 3.78Å; N271-F432 HydrophobicContact CB-CE2 3.61Å; N271-F432 HydrophobicContact CB-CG 3.6Å; N271-F432 HydrophobicContact CB-CZ 3.74Å; F309-F432 HydrophobicContact CD1-CD1 4.1Å; F309-F432 AromaticContact CD1-CE1 3.89Å; F309-F432 HydrophobicContact CD1-CE1 3.89Å; F309-F432 HydrophobicContact CE1-CD1 4.21Å; F309-F432 HydrophobicContact CE1-CE1 4Å; H311-F432 HydrophobicContact CB-CE1 4.24Å; H311-F432 HydrophobicContact CB-CZ 4.19Å; L428-F432 HydrophobicContact CB-CD2 4.2Å; L428-F432 HydrophobicContact CB-CE2 4.26Å; L428-F432 HydrophobicContact CD2-CE2 4.48Å; L428-F432 VanDerWaalsContact O-CD2 3.25Å; L428-F432 WeakPolarHBondContact O-CD2 3.35Å; L428-F432 PolarHBondContact O-N 3.07Å; F432-L435 PolarHBondContact O-N 2.99Å; F432-E436 WeakPolarHBondContact O-CB 3.26Å; F432-E436 PolarHBondContact O-N 3.44Å
433	S	98	Very high	96.9	Very high	46 Å²	46	42 Å²	42	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-41.3	174.2	-61	0	0	0	0	112	E429 Y431 L437	E429-S433 WeakPolarHBondContact O-CB 3.27Å; E429-S433 PolarHBondContact O-N 3.39Å; E429-S433 PolarHBondContact O-OG 3.06Å; Y431-S433 VanDerWaalsContact C-N 3.33Å; Y431-S433 PolarHBondContact O-N 2.83Å; S433-L437 PolarHBondContact O-N 2.61Å; S433-L437 VanDerWaalsContact O-N 3.08Å
434	A	98.2	Very high	96.7	Very high	12 Å²	12	42.7 Å²	42.7	10%	0.099	20%	0.2	C	C	.	.	H	α-helix	trans	-69	-39.2	177.8	0	0	0	0	0	112.2	F132 V382 D430 Y431 L437 E438	F132-A434 HydrophobicContact CE2-CB 3.47Å; F132-A434 VanDerWaalsContact CE2-CB 3.47Å; F132-A434 HydrophobicContact CZ-CB 3.58Å; V382-A434 HydrophobicContact CG1-CB 3.97Å; V382-A434 HydrophobicContact CG2-CB 4.28Å; D430-A434 VanDerWaalsContact O-CB 3.3Å; D430-A434 WeakPolarHBondContact O-CB 3.34Å; D430-A434 PolarHBondContact O-N 2.85Å; Y431-A434 PolarHBondContact O-N 3.27Å; A434-L437 PolarHBondContact O-N 3.27Å; A434-E438 PolarHBondContact O-N 3.37Å
435	L	97.7	Very high	96.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-41.7	175.1	-178.2	67	0	0	0	111.2	E292 F309 V382 Y431 F432 L437 E438 T439 F446	E292-L435 WeakPolarHBondContact OE1-CD2 3.34Å; F309-L435 HydrophobicContact CE1-CD2 3.51Å; F309-L435 HydrophobicContact CZ-CD2 3.7Å; V382-L435 HydrophobicContact CB-CB 4.37Å; V382-L435 HydrophobicContact CB-CD1 4.24Å; V382-L435 HydrophobicContact CG1-CB 4.26Å; Y431-L435 HydrophobicContact CE1-CD2 4.38Å; Y431-L435 WeakPolarHBondContact O-CB 3.27Å; Y431-L435 PolarHBondContact O-N 3.39Å; F432-L435 PolarHBondContact O-N 2.99Å; L435-L437 PolarHBondContact O-N 3.04Å; L435-E438 PolarHBondContact O-N 3.08Å; L435-T439 WeakPolarHBondContact O-CB 3.39Å; L435-T439 PolarHBondContact O-N 2.93Å; L435-T439 PolarHBondContact O-OG1 3.12Å; L435-F446 HydrophobicContact CD1-CZ 4.31Å
436	E	95.8	Very high	96.1	Very high	24 Å²	24	40.3 Å²	40.3	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-47.3	175.9	-171.3	175.7	-172.8	0	0	111.2	F80 F432 E438 T439 R440	F80-E436 HydrophobicContact CD2-CB 4.42Å; F80-E436 HydrophobicContact CD2-CG 3.99Å; F80-E436 HydrophobicContact CE1-CB 4.38Å; F80-E436 HydrophobicContact CE1-CG 4.41Å; F80-E436 HydrophobicContact CE2-CB 3.46Å; F80-E436 VanDerWaalsContact CE2-CB 3.46Å; F80-E436 HydrophobicContact CE2-CG 3.5Å; F80-E436 HydrophobicContact CZ-CB 3.44Å; F80-E436 VanDerWaalsContact CZ-CB 3.44Å; F80-E436 HydrophobicContact CZ-CG 3.75Å; F432-E436 WeakPolarHBondContact O-CB 3.26Å; F432-E436 PolarHBondContact O-N 3.44Å; E436-E438 PolarHBondContact O-N 2.77Å; E436-T439 PolarHBondContact O-N 3.43Å; E436-R440 VanDerWaalsContact CD-NH2 3.35Å; E436-R440 WeakPolarHBondContact O-CG 3.46Å; E436-R440 PolarHBondContact O-N 3.34Å; E436-R440 IonicContact OE1-CZ 3.41Å; E436-R440 IonicContact OE1-NE 3.57Å; E436-R440 IonicContact OE1-NH2 2.66Å; E436-R440 PolarHBondContact OE1-NH2 2.78Å; E436-R440 IonicContact OE2-NH2 3.98Å
437	L	96.7	Very high	95.9	Very high	84 Å²	84	40.5 Å²	40.5	44%	0.44	19%	0.191	S	C	.	.	H	α-helix	trans	-59.1	-49.4	176.9	-179.6	65.4	0	0	0	111.2	S433 A434 L435 T439 R440 E441	S433-L437 PolarHBondContact O-N 2.61Å; S433-L437 VanDerWaalsContact O-N 3.08Å; A434-L437 PolarHBondContact O-N 3.27Å; L435-L437 PolarHBondContact O-N 3.04Å; L437-T439 VanDerWaalsContact C-N 3.34Å; L437-T439 PolarHBondContact O-N 2.04Å; L437-R440 PolarHBondContact O-N 3.12Å; L437-E441 HydrophobicContact CD1-CG 4.43Å; L437-E441 WeakPolarHBondContact O-CG 3.12Å; L437-E441 PolarHBondContact O-N 3.45Å
438	E	96.1	Very high	95.6	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-43.6	178.6	-177.6	-179.1	-142.6	0	0	111.9	G380 N381 V382 A434 L435 E436 R440 E441 R442 I444	G380-E438 WeakPolarHBondContact CA-OE2 3.26Å; N381-E438 WeakPolarHBondContact CB-OE1 3.37Å; N381-E438 VanDerWaalsContact N-CD 3.29Å; N381-E438 PolarHBondContact N-OE1 3.37Å; N381-E438 PolarHBondContact N-OE2 2.98Å; V382-E438 HydrophobicContact CG2-CB 4.11Å; V382-E438 WeakPolarHBondContact CG2-OE2 3.47Å; V382-E438 PolarHBondContact N-OE2 3.4Å; A434-E438 PolarHBondContact O-N 3.37Å; L435-E438 PolarHBondContact O-N 3.08Å; E436-E438 PolarHBondContact O-N 2.77Å; E438-R440 VanDerWaalsContact C-N 3.26Å; E438-R440 PolarHBondContact O-N 3.32Å; E438-E441 PolarHBondContact O-N 2.69Å; E438-R442 HydrophobicContact CG-CG 4.19Å; E438-R442 WeakPolarHBondContact O-CB 3.36Å; E438-R442 PolarHBondContact O-N 3.43Å; E438-R442 WeakPolarHBondContact OE1-CD 3.39Å; E438-R442 IonicContact OE1-CZ 3.88Å; E438-R442 IonicContact OE1-NE 3.06Å; E438-R442 IonicContact OE1-NH1 2.8Å; E438-R442 PolarHBondContact OE1-NH1 3.29Å; E438-I444 HydrophobicContact CG-CD1 3.96Å
439	T	95.1	Very high	95.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-56.4	-43.8	179.3	-64.9	0	0	0	0	110.6	F80 V83 L435 E436 L437 K443 I444 F446	F80-T439 HydrophobicContact CD1-CG2 4.44Å; F80-T439 HydrophobicContact CE1-CG2 4.09Å; V83-T439 HydrophobicContact CG1-CG2 4.09Å; L435-T439 WeakPolarHBondContact O-CB 3.39Å; L435-T439 PolarHBondContact O-N 2.93Å; L435-T439 PolarHBondContact O-OG1 3.12Å; E436-T439 PolarHBondContact O-N 3.43Å; L437-T439 VanDerWaalsContact C-N 3.34Å; L437-T439 PolarHBondContact O-N 2.04Å; T439-K443 CarbonylContact O-C 3.59Å; T439-K443 WeakPolarHBondContact O-CA 3.44Å; T439-K443 PolarHBondContact O-N 3.46Å; T439-I444 HydrophobicContact CG2-CB 4.28Å; T439-I444 WeakPolarHBondContact CG2-O 3.43Å; T439-I444 PolarHBondContact O-N 2.67Å; T439-F446 HydrophobicContact CG2-CD2 4.35Å; T439-F446 HydrophobicContact CG2-CE2 3.69Å; T439-F446 WeakPolarHBondContact OG1-CE2 3.25Å
440	R	92.3	Very high	95.2	Very high	96 Å²	96	40 Å²	40	36%	0.362	19%	0.192	S	C	.	.	H	α-helix	trans	-67.4	-47.6	176.4	-67.1	-178.6	-162.7	-172.3	13.2	112.2	F79 E436 L437 E438	F79-R440 VanDerWaalsContact CB-CZ 3.49Å; F79-R440 VanDerWaalsContact CD2-NH1 3.26Å; E436-R440 VanDerWaalsContact CD-NH2 3.35Å; E436-R440 WeakPolarHBondContact O-CG 3.46Å; E436-R440 PolarHBondContact O-N 3.34Å; E436-R440 IonicContact OE1-CZ 3.41Å; E436-R440 IonicContact OE1-NE 3.57Å; E436-R440 IonicContact OE1-NH2 2.66Å; E436-R440 PolarHBondContact OE1-NH2 2.78Å; E436-R440 IonicContact OE2-NH2 3.98Å; L437-R440 PolarHBondContact O-N 3.12Å; E438-R440 VanDerWaalsContact C-N 3.26Å; E438-R440 PolarHBondContact O-N 3.32Å
441	E	94.1	Very high	95.1	Very high	132 Å²	132	37.7 Å²	37.7	62%	0.617	18%	0.18	S	C	*	.	H	α-helix	trans	-64.5	-41.8	-177.1	-72.9	176.4	170.6	0	0	112.4	L437 E438	L437-E441 HydrophobicContact CD1-CG 4.43Å; L437-E441 WeakPolarHBondContact O-CG 3.12Å; L437-E441 PolarHBondContact O-N 3.45Å; E438-E441 PolarHBondContact O-N 2.69Å
442	R	92.6	Very high	95	Very high	105 Å²	105	38.1 Å²	38.1	40%	0.396	18%	0.182	S	C	.	.	H	α-helix	trans	-97.9	-2.8	-176.1	-64.7	177.8	65	-171.7	-5	113.6	N381 E438 I444	N381-R442 VanDerWaalsContact CG-NH1 3.26Å; N381-R442 PolarHBondContact OD1-NH1 3.49Å; E438-R442 HydrophobicContact CG-CG 4.19Å; E438-R442 WeakPolarHBondContact O-CB 3.36Å; E438-R442 PolarHBondContact O-N 3.43Å; E438-R442 WeakPolarHBondContact OE1-CD 3.39Å; E438-R442 IonicContact OE1-CZ 3.88Å; E438-R442 IonicContact OE1-NE 3.06Å; E438-R442 IonicContact OE1-NH1 2.8Å; E438-R442 PolarHBondContact OE1-NH1 3.29Å; R442-I444 VanDerWaalsContact C-N 3.33Å; R442-I444 HydrophobicContact CB-CD1 4.28Å; R442-I444 HydrophobicContact CB-CG1 3.88Å; R442-I444 PolarHBondContact O-N 2.63Å
443	K	93	Very high	95	Very high	183 Å²	183	38 Å²	38	80%	0.796	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	49.9	-175.6	-57.8	-178.4	-179.8	-178.1	0	112	T439 D445	T439-K443 CarbonylContact O-C 3.59Å; T439-K443 WeakPolarHBondContact O-CA 3.44Å; T439-K443 PolarHBondContact O-N 3.46Å; K443-D445 PolarHBondContact O-N 3.49Å
444	I	93.2	Very high	95	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.082	17%	0.167	C	C	.	.			trans	-72.6	122.7	179.2	-57.3	175.6	0	0	0	108.3	V83 R379 E438 T439 R442 F446	V83-I444 WeakPolarHBondContact CG1-O 3.32Å; R379-I444 HydrophobicContact CB-CG2 3.65Å; E438-I444 HydrophobicContact CG-CD1 3.96Å; T439-I444 HydrophobicContact CG2-CB 4.28Å; T439-I444 WeakPolarHBondContact CG2-O 3.43Å; T439-I444 PolarHBondContact O-N 2.67Å; R442-I444 VanDerWaalsContact C-N 3.33Å; R442-I444 HydrophobicContact CB-CD1 4.28Å; R442-I444 HydrophobicContact CB-CG1 3.88Å; R442-I444 PolarHBondContact O-N 2.63Å; I444-F446 HydrophobicContact CB-CE2 4.47Å; I444-F446 HydrophobicContact CB-CZ 4.42Å; I444-F446 HydrophobicContact CG2-CE1 3.97Å; I444-F446 HydrophobicContact CG2-CE2 4.1Å; I444-F446 HydrophobicContact CG2-CZ 3.73Å
445	D	91.1	Very high	95.1	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	16%	0.162	C	C	.	.			trans	-90.3	141.7	173.6	171.9	53	0	0	0	110.8	S85 R379 K443	S85-D445 WeakPolarHBondContact CA-OD1 3.12Å; S85-D445 WeakPolarHBondContact CB-OD1 3.37Å; S85-D445 WeakPolarHBondContact CB-OD2 3.49Å; S85-D445 PolarHBondContact N-OD1 2.68Å; S85-D445 PolarHBondContact OG-OD1 3.4Å; S85-D445 PolarHBondContact OG-OD2 3.31Å; R379-D445 WeakPolarHBondContact CD-O 3.34Å; R379-D445 PolarHBondContact NH1-O 3.4Å; R379-D445 IonicContact NH1-OD2 3.27Å; K443-D445 PolarHBondContact O-N 3.49Å
446	F	94.1	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142	176.1	-63	-75.6	0	0	0	111.2	F80 E292 F294 F309 R379 L435 T439 I444	F80-F446 HydrophobicContact CE1-CE2 4.36Å; E292-F446 HydrophobicContact CB-CD1 3.6Å; E292-F446 HydrophobicContact CB-CE1 3.58Å; E292-F446 HydrophobicContact CG-CE1 4.32Å; E292-F446 WeakPolarHBondContact OE2-CE1 3.48Å; F294-F446 HydrophobicContact CD2-CB 4.13Å; F294-F446 HydrophobicContact CE2-CB 3.93Å; F294-F446 HydrophobicContact CE2-CD2 4.46Å; F309-F446 HydrophobicContact CE2-CB 4.26Å; F309-F446 HydrophobicContact CE2-CD1 4.08Å; F309-F446 AromaticContact CE2-CD2 3.58Å; F309-F446 HydrophobicContact CE2-CD2 3.58Å; F309-F446 HydrophobicContact CE2-CE1 4.31Å; F309-F446 AromaticContact CE2-CE2 3.81Å; F309-F446 HydrophobicContact CE2-CE2 3.81Å; F309-F446 AromaticContact CE2-CG 3.72Å; F309-F446 HydrophobicContact CE2-CG 3.72Å; F309-F446 HydrophobicContact CE2-CZ 4.17Å; F309-F446 HydrophobicContact CZ-CD1 4.32Å; F309-F446 HydrophobicContact CZ-CD2 4.21Å; F309-F446 HydrophobicContact CZ-CE1 4.13Å; F309-F446 AromaticContact CZ-CE2 3.99Å; F309-F446 HydrophobicContact CZ-CE2 3.99Å; F309-F446 HydrophobicContact CZ-CG 4.36Å; F309-F446 AromaticContact CZ-CZ 3.96Å; F309-F446 HydrophobicContact CZ-CZ 3.96Å; R379-F446 HydrophobicContact CB-CE1 4.24Å; L435-F446 HydrophobicContact CD1-CZ 4.31Å; T439-F446 HydrophobicContact CG2-CD2 4.35Å; T439-F446 HydrophobicContact CG2-CE2 3.69Å; T439-F446 WeakPolarHBondContact OG1-CE2 3.25Å; I444-F446 HydrophobicContact CB-CE2 4.47Å; I444-F446 HydrophobicContact CB-CZ 4.42Å; I444-F446 HydrophobicContact CG2-CE1 3.97Å; I444-F446 HydrophobicContact CG2-CE2 4.1Å; I444-F446 HydrophobicContact CG2-CZ 3.73Å
447	P	93.5	Very high	95.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	155	177	29.4	-35	0	0	0	111.8	N88 I90 E292 F293 F294	N88-P447 HydrophobicContact CB-CB 4.17Å; N88-P447 WeakPolarHBondContact O-CA 3.5Å; N88-P447 WeakPolarHBondContact O-CB 3.46Å; I90-P447 HydrophobicContact CD1-CB 4.13Å; I90-P447 HydrophobicContact CD1-CG 4.29Å; I90-P447 HydrophobicContact CG1-CB 4.44Å; E292-P447 WeakPolarHBondContact O-CD 3.24Å; F293-P447 CarbonylContact C-O 3.46Å; F293-P447 VanDerWaalsContact CA-O 3.25Å; F293-P447 WeakPolarHBondContact CA-O 3.44Å; F293-P447 HydrophobicContact CB-CG 4.06Å; F293-P447 WeakPolarHBondContact CB-O 3.48Å; F294-P447 PolarHBondContact N-O 2.67Å
448	T	93.2	Very high	95.2	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.043	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.9	164.6	56.8	0	0	0	0	108.9	S84 N88 I90 F294	S84-T448 WeakPolarHBondContact OG-CG2 3.37Å; N88-T448 PolarHBondContact O-N 3.42Å; N88-T448 VanDerWaalsContact O-N 3.16Å; I90-T448 PolarHBondContact N-O 2.76Å; F294-T448 HydrophobicContact CB-CG2 4.12Å; F294-T448 CarbonylContact O-C 3.59Å; F294-T448 WeakPolarHBondContact O-CA 3.45Å
449	L	94.7	Very high	95.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.3	177.9	-174.2	151.2	0	0	0	110.1	I90 M92 L285 F293 F294 W295 R296 F453	I90-L449 HydrophobicContact CB-CB 4.36Å; I90-L449 HydrophobicContact CB-CD1 4.4Å; I90-L449 HydrophobicContact CB-CG 4.25Å; I90-L449 HydrophobicContact CG2-CD1 4.09Å; I90-L449 HydrophobicContact CG2-CG 4.2Å; I90-L449 CarbonylContact O-C 3.58Å; I90-L449 VanDerWaalsContact O-CA 3.27Å; I90-L449 WeakPolarHBondContact O-CA 3.34Å; M92-L449 HydrophobicContact CG-CD2 3.92Å; M92-L449 HydrophobicContact CG-CG 4.44Å; M92-L449 HydrophobicContact SD-CD1 3.9Å; M92-L449 HydrophobicContact SD-CD2 4.04Å; M92-L449 HydrophobicContact SD-CG 4.11Å; L285-L449 HydrophobicContact CD1-CD1 4.32Å; L285-L449 HydrophobicContact CD2-CD1 4.49Å; F293-L449 HydrophobicContact CB-CB 4.1Å; F293-L449 HydrophobicContact CD1-CD1 4.19Å; F293-L449 HydrophobicContact CD2-CB 3.47Å; F293-L449 VanDerWaalsContact CD2-CB 3.47Å; F293-L449 HydrophobicContact CD2-CD1 4.11Å; F293-L449 HydrophobicContact CD2-CD2 4.36Å; F293-L449 HydrophobicContact CD2-CG 4.19Å; F293-L449 HydrophobicContact CE1-CD1 4.16Å; F293-L449 HydrophobicContact CE2-CB 4.01Å; F293-L449 HydrophobicContact CE2-CD1 4.05Å; F293-L449 HydrophobicContact CE2-CD2 4.01Å; F293-L449 HydrophobicContact CE2-CG 4.26Å; F293-L449 HydrophobicContact CG-CB 3.84Å; F293-L449 HydrophobicContact CG-CD1 4.16Å; F293-L449 HydrophobicContact CZ-CD1 4.09Å; F294-L449 PolarHBondContact O-N 2.93Å; W295-L449 CarbonylContact C-O 3.46Å; W295-L449 WeakPolarHBondContact CA-O 3.4Å; R296-L449 PolarHBondContact N-O 3.43Å; L449-F453 HydrophobicContact CD1-CE1 4.39Å; L449-F453 HydrophobicContact CD1-CZ 4.09Å; L449-F453 HydrophobicContact CD2-CE1 4.49Å; L449-F453 HydrophobicContact CD2-CE2 4.43Å; L449-F453 HydrophobicContact CD2-CZ 3.83Å
450	S	94.6	Very high	95.2	Very high	26 Å²	26	39.6 Å²	39.6	18%	0.182	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.1	174	63.7	0	0	0	0	111.6	I90 Q91 M92 R296	I90-S450 PolarHBondContact O-N 3.43Å; Q91-S450 WeakPolarHBondContact CA-O 3.33Å; M92-S450 WeakPolarHBondContact CG-O 3.38Å; M92-S450 PolarHBondContact N-O 2.98Å; R296-S450 WeakPolarHBondContact O-CA 3.41Å; R296-S450 WeakPolarHBondContact O-CB 3.48Å
451	G	95.2	Very high	95.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	112.9	-175.7	-173.1	0	0	0	0	0	111.9	W295	W295-G451 PolarHBondContact NE1-O 3.28Å
452	D	97.9	Very high	95.4	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.048	17%	0.172	C	C	.	.			trans	-112.3	176.7	-177.4	69.2	-33.1	0	0	0	112.1	P258 F454 L665 R673	P258-D452 VanDerWaalsContact CD-CB 3.49Å; P258-D452 HydrophobicContact CG-CB 4.33Å; D452-F454 HydrophobicContact CB-CD2 4.31Å; D452-F454 VanDerWaalsContact OD2-CD2 3.28Å; D452-F454 WeakPolarHBondContact OD2-CD2 3.41Å; D452-L665 HydrophobicContact CB-CD1 4.12Å; D452-L665 HydrophobicContact CB-CD2 4.31Å; D452-R673 IonicContact OD1-CZ 3.37Å; D452-R673 IonicContact OD1-NH1 3.26Å; D452-R673 PolarHBondContact OD1-NH1 3.2Å; D452-R673 IonicContact OD1-NH2 2.68Å; D452-R673 IonicContact OD2-CZ 2.77Å; D452-R673 IonicContact OD2-NH1 3.44Å; D452-R673 PolarHBondContact OD2-NH1 3.05Å; D452-R673 IonicContact OD2-NH2 2.82Å; D452-R673 PolarHBondContact OD2-NH2 3.46Å
453	F	98.4	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.			trans	-114.3	34.2	-179.7	-62.7	-72.4	0	0	0	112.4	M92 L256 I274 V277 I281 F293 W295 L449	M92-F453 HydrophobicContact CE-CD1 3.83Å; M92-F453 HydrophobicContact CE-CE1 3.84Å; M92-F453 HydrophobicContact SD-CD1 4.47Å; M92-F453 HydrophobicContact SD-CE1 3.95Å; L256-F453 HydrophobicContact CB-CB 4.18Å; L256-F453 HydrophobicContact CB-CD2 3.99Å; L256-F453 HydrophobicContact CD1-CD2 4.34Å; L256-F453 PolarHBondContact O-N 2.98Å; I274-F453 HydrophobicContact CD1-CD2 4.42Å; I274-F453 HydrophobicContact CD1-CE2 3.9Å; I274-F453 HydrophobicContact CD1-CZ 4.46Å; V277-F453 HydrophobicContact CB-CD1 4.22Å; V277-F453 HydrophobicContact CB-CG 4.49Å; V277-F453 HydrophobicContact CG1-CB 4.35Å; V277-F453 HydrophobicContact CG1-CD1 3.45Å; V277-F453 VanDerWaalsContact CG1-CD1 3.45Å; V277-F453 HydrophobicContact CG1-CE1 4.01Å; V277-F453 HydrophobicContact CG1-CG 4.14Å; V277-F453 HydrophobicContact CG2-CB 3.89Å; V277-F453 HydrophobicContact CG2-CD1 3.7Å; V277-F453 HydrophobicContact CG2-CD2 4.13Å; V277-F453 HydrophobicContact CG2-CE1 4.22Å; V277-F453 HydrophobicContact CG2-CG 3.63Å; I281-F453 HydrophobicContact CG2-CE1 4.4Å; F293-F453 HydrophobicContact CE1-CZ 4.44Å; F293-F453 HydrophobicContact CE2-CZ 4.21Å; F293-F453 HydrophobicContact CZ-CE2 4.11Å; F293-F453 AromaticContact CZ-CZ 3.63Å; F293-F453 HydrophobicContact CZ-CZ 3.63Å; W295-F453 HydrophobicContact CD2-CE2 4.33Å; W295-F453 AromaticContact CE2-CE2 3.82Å; W295-F453 AromaticContact CH2-CD2 3.81Å; W295-F453 HydrophobicContact CH2-CD2 3.81Å; W295-F453 AromaticContact CH2-CE2 3.84Å; W295-F453 HydrophobicContact CH2-CE2 3.84Å; W295-F453 AromaticContact CZ2-CD2 3.65Å; W295-F453 HydrophobicContact CZ2-CD2 3.65Å; W295-F453 AromaticContact CZ2-CE2 3.57Å; W295-F453 HydrophobicContact CZ2-CE2 3.57Å; W295-F453 HydrophobicContact CZ3-CE2 4.29Å; L449-F453 HydrophobicContact CD1-CE1 4.39Å; L449-F453 HydrophobicContact CD1-CZ 4.09Å; L449-F453 HydrophobicContact CD2-CE1 4.49Å; L449-F453 HydrophobicContact CD2-CE2 4.43Å; L449-F453 HydrophobicContact CD2-CZ 3.83Å
454	F	98.4	Very high	96	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-102.3	144.8	172.3	-62.7	-62.6	0	0	0	112.3	Y96 E218 A219 G255 D452 F468 L665 Y686 P687	Y96-F454 PolarHBondContact OH-O 3.33Å; E218-F454 HydrophobicContact CB-CZ 4.3Å; A219-F454 HydrophobicContact CB-CE1 3.79Å; A219-F454 HydrophobicContact CB-CE2 4.49Å; A219-F454 HydrophobicContact CB-CZ 3.72Å; G255-F454 VanDerWaalsContact CA-CE1 3.46Å; G255-F454 WeakPolarHBondContact O-CE1 3.26Å; D452-F454 HydrophobicContact CB-CD2 4.31Å; D452-F454 VanDerWaalsContact OD2-CD2 3.28Å; D452-F454 WeakPolarHBondContact OD2-CD2 3.41Å; F454-F468 HydrophobicContact CD1-CE1 4.49Å; F454-F468 HydrophobicContact CD1-CZ 4.37Å; F454-L665 HydrophobicContact CD2-CD2 3.99Å; F454-L665 HydrophobicContact CE2-CD2 4.1Å; F454-Y686 HydrophobicContact CB-CD1 4.41Å; F454-Y686 WeakPolarHBondContact O-CE1 3.5Å; F454-P687 HydrophobicContact CD2-CG 3.87Å; F454-P687 HydrophobicContact CE2-CG 4.2Å; F454-P687 HydrophobicContact CG-CG 4.07Å
455	S	98.3	Very high	96.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.135	C	C	.	.	S	Bend	cis	-94	137.6	-2.8	-71.7	0	0	0	0	112.3	F685	S455-F685 PolarHBondContact OG-O 2.86Å
456	Y	98.5	Very high	96.6	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-69.7	135.7	-178.9	172.7	-120.6	0	0	0	111.4	F254 R276 D458 Y463 W464	F254-Y456 HydrophobicContact CB-CD1 4.33Å; R276-Y456 HydrophobicContact CB-CD1 4.46Å; R276-Y456 HydrophobicContact CB-CD2 4.18Å; R276-Y456 HydrophobicContact CB-CE1 4.19Å; R276-Y456 HydrophobicContact CB-CE2 3.88Å; R276-Y456 HydrophobicContact CB-CG 4.46Å; R276-Y456 HydrophobicContact CG-CE1 4.37Å; R276-Y456 PolarHBondContact NH1-OH 3.12Å; R276-Y456 WeakPolarHBondContact O-CD2 3.17Å; Y456-D458 HydrophobicContact CE1-CB 3.99Å; Y456-D458 HydrophobicContact CE2-CB 4.38Å; Y456-D458 WeakPolarHBondContact OH-CB 3.35Å; Y456-Y463 WeakPolarHBondContact O-CA 3.22Å; Y456-W464 HydrophobicContact CD1-CB 4.02Å; Y456-W464 AromaticContact CD1-CD1 3.81Å; Y456-W464 AromaticContact CD1-CD2 3.74Å; Y456-W464 HydrophobicContact CD1-CD2 3.74Å; Y456-W464 HydrophobicContact CD1-CE3 4.24Å; Y456-W464 AromaticContact CD1-CG 3.61Å; Y456-W464 HydrophobicContact CD1-CG 3.61Å; Y456-W464 AromaticContact CE1-CD2 3.73Å; Y456-W464 HydrophobicContact CE1-CD2 3.73Å; Y456-W464 AromaticContact CE1-CE2 3.64Å; Y456-W464 HydrophobicContact CE1-CE3 4.19Å; Y456-W464 HydrophobicContact CE1-CG 4.02Å; Y456-W464 HydrophobicContact CE1-CH2 4.46Å; Y456-W464 HydrophobicContact CE1-CZ2 4.04Å; Y456-W464 AromaticContact CE1-NE1 3.86Å; Y456-W464 PolarHBondContact O-N 2.8Å
457	A	98.5	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-131.8	126.6	163.8	0	0	0	0	0	108.1	Y279 D462 Y463	Y279-A457 WeakPolarHBondContact CD1-O 3.04Å; Y279-A457 HydrophobicContact CE1-CB 4.26Å; Y279-A457 PolarHBondContact N-O 2.84Å; A457-D462 WeakPolarHBondContact CA-O 3.36Å; A457-Y463 HydrophobicContact CB-CD1 4.04Å; A457-Y463 HydrophobicContact CB-CD2 4.19Å; A457-Y463 HydrophobicContact CB-CE1 4.19Å; A457-Y463 HydrophobicContact CB-CE2 4.28Å; A457-Y463 HydrophobicContact CB-CG 4.06Å
458	D	97.3	Very high	97	Very high	15 Å²	15	27.4 Å²	27.4	8%	0.08	14%	0.14	C	C	.	.	S	Bend	trans	-81.2	-33.2	179.2	66	-38.3	0	0	0	111.1	Q111 Y316 Y456 W464	Q111-D458 PolarHBondContact NE2-O 2.94Å; Y316-D458 WeakPolarHBondContact CD2-O 3.33Å; Y316-D458 HydrophobicContact CE2-CB 3.82Å; Y316-D458 WeakPolarHBondContact CE2-O 3.48Å; Y316-D458 PolarHBondContact OH-OD2 3.38Å; Y316-D458 VanDerWaalsContact OH-OD2 3.09Å; Y456-D458 HydrophobicContact CE1-CB 3.99Å; Y456-D458 HydrophobicContact CE2-CB 4.38Å; Y456-D458 WeakPolarHBondContact OH-CB 3.35Å; D458-W464 HydrophobicContact CB-CZ2 4.21Å; D458-W464 VanDerWaalsContact CG-NE1 3.29Å; D458-W464 PolarHBondContact OD1-NE1 3.11Å
459	R	95.5	Very high	97.3	Very high	112 Å²	112	29.7 Å²	29.7	42%	0.423	15%	0.154	S	C	.	.	S	Bend	trans	-160.1	159.9	176.7	64.3	-162.9	-179.6	98.3	16.7	112.2	Y316 N461 D462	Y316-R459 HydrophobicContact CE2-CB 4.49Å; R459-N461 PolarHBondContact O-N 3.05Å; R459-D462 HydrophobicContact CG-CB 4.46Å; R459-D462 IonicContact CZ-OD2 3.34Å; R459-D462 VanDerWaalsContact CZ-OD2 3.24Å; R459-D462 IonicContact NE-OD2 3.73Å; R459-D462 PolarHBondContact NE-OD2 3.08Å; R459-D462 IonicContact NH2-OD2 2.77Å; R459-D462 PolarHBondContact NH2-OD2 3.33Å; R459-D462 WeakPolarHBondContact O-CB 3.33Å; R459-D462 PolarHBondContact O-N 3.04Å
460	D	94.9	Very high	97.4	Very high	80 Å²	80	31.6 Å²	31.6	43%	0.428	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	-127.9	171.9	-57.6	-44.9	0	0	0	112.8	N103 Y279	N103-D460 PolarHBondContact ND2-OD1 3.39Å; Y279-D460 PolarHBondContact OH-O 3.17Å; Y279-D460 VanDerWaalsContact OH-O 3.07Å
461	N	94.5	Very high	97.4	Very high	94 Å²	94	34.8 Å²	34.8	50%	0.503	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	19.6	174.8	-68.8	-39.1	0	0	0	112.2	R459 Y463 P680 Q682	R459-N461 PolarHBondContact O-N 3.05Å; N461-Y463 VanDerWaalsContact C-N 3.27Å; N461-Y463 PolarHBondContact O-N 3.32Å; N461-P680 HydrophobicContact CB-CG 4.21Å; N461-Q682 PolarHBondContact O-NE2 3.26Å
462	D	97	Very high	97.5	Very high	68 Å²	68	38.3 Å²	38.3	36%	0.364	20%	0.198	S	C	.	.			trans	-80	73.8	-178.8	-66.9	-4.4	0	0	0	108.9	A457 R459	A457-D462 WeakPolarHBondContact CA-O 3.36Å; R459-D462 HydrophobicContact CG-CB 4.46Å; R459-D462 IonicContact CZ-OD2 3.34Å; R459-D462 VanDerWaalsContact CZ-OD2 3.24Å; R459-D462 IonicContact NE-OD2 3.73Å; R459-D462 PolarHBondContact NE-OD2 3.08Å; R459-D462 IonicContact NH2-OD2 2.77Å; R459-D462 PolarHBondContact NH2-OD2 3.33Å; R459-D462 WeakPolarHBondContact O-CB 3.33Å; R459-D462 PolarHBondContact O-N 3.04Å
463	Y	98.2	Very high	97.2	Very high	21 Å²	21	44.9 Å²	44.9	8%	0.082	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-79.8	129.9	174.8	-74.9	-101.8	0	0	0	110.9	H278 Y456 A457 N461 V465 L679 P680 Q682 G683	H278-Y463 AromaticContact CD2-CE1 3.79Å; H278-Y463 AromaticContact NE2-CE1 3.87Å; H278-Y463 AromaticContact NE2-CZ 3.58Å; H278-Y463 PolarHBondContact NE2-OH 2.96Å; H278-Y463 VanDerWaalsContact NE2-OH 3.15Å; Y456-Y463 WeakPolarHBondContact O-CA 3.22Å; A457-Y463 HydrophobicContact CB-CD1 4.04Å; A457-Y463 HydrophobicContact CB-CD2 4.19Å; A457-Y463 HydrophobicContact CB-CE1 4.19Å; A457-Y463 HydrophobicContact CB-CE2 4.28Å; A457-Y463 HydrophobicContact CB-CG 4.06Å; N461-Y463 VanDerWaalsContact C-N 3.27Å; N461-Y463 PolarHBondContact O-N 3.32Å; Y463-V465 PolarHBondContact O-N 2.92Å; Y463-L679 WeakPolarHBondContact OH-CD2 3.37Å; Y463-P680 HydrophobicContact CD2-CG 3.91Å; Y463-P680 HydrophobicContact CE2-CG 3.53Å; Y463-Q682 HydrophobicContact CD2-CG 3.89Å; Y463-Q682 HydrophobicContact CG-CG 4.09Å; Y463-G683 VanDerWaalsContact CD1-CA 3.49Å; Y463-G683 VanDerWaalsContact CE1-CA 3.49Å
464	W	98.5	Very high	97.1	Very high	78 Å²	78	47 Å²	47	30%	0.295	24%	0.235	S	C	.	.			trans	-85.6	63.4	-175.7	-65.9	47.9	0	0	0	109.5	F254 Y456 D458 Y467	F254-W464 HydrophobicContact CB-CE3 3.84Å; F254-W464 HydrophobicContact CB-CZ3 4.49Å; F254-W464 AromaticContact CD1-CE3 3.81Å; F254-W464 HydrophobicContact CD1-CE3 3.81Å; F254-W464 AromaticContact CD1-CZ3 3.59Å; F254-W464 HydrophobicContact CD1-CZ3 3.59Å; F254-W464 HydrophobicContact CD2-CE3 4.16Å; F254-W464 HydrophobicContact CD2-CZ3 4.45Å; F254-W464 HydrophobicContact CE1-CE3 4.47Å; F254-W464 AromaticContact CE1-CZ3 3.9Å; F254-W464 HydrophobicContact CE1-CZ3 3.9Å; F254-W464 AromaticContact CG-CE3 3.65Å; F254-W464 HydrophobicContact CG-CE3 3.65Å; F254-W464 AromaticContact CG-CZ3 3.91Å; F254-W464 HydrophobicContact CG-CZ3 3.91Å; F254-W464 HydrophobicContact CZ-CZ3 4.45Å; Y456-W464 HydrophobicContact CD1-CB 4.02Å; Y456-W464 AromaticContact CD1-CD1 3.81Å; Y456-W464 AromaticContact CD1-CD2 3.74Å; Y456-W464 HydrophobicContact CD1-CD2 3.74Å; Y456-W464 HydrophobicContact CD1-CE3 4.24Å; Y456-W464 AromaticContact CD1-CG 3.61Å; Y456-W464 HydrophobicContact CD1-CG 3.61Å; Y456-W464 AromaticContact CE1-CD2 3.73Å; Y456-W464 HydrophobicContact CE1-CD2 3.73Å; Y456-W464 AromaticContact CE1-CE2 3.64Å; Y456-W464 HydrophobicContact CE1-CE3 4.19Å; Y456-W464 HydrophobicContact CE1-CG 4.02Å; Y456-W464 HydrophobicContact CE1-CH2 4.46Å; Y456-W464 HydrophobicContact CE1-CZ2 4.04Å; Y456-W464 AromaticContact CE1-NE1 3.86Å; Y456-W464 PolarHBondContact O-N 2.8Å; D458-W464 HydrophobicContact CB-CZ2 4.21Å; D458-W464 VanDerWaalsContact CG-NE1 3.29Å; D458-W464 PolarHBondContact OD1-NE1 3.11Å; W464-Y467 HydrophobicContact CB-CD1 4.33Å; W464-Y467 HydrophobicContact CB-CE1 4.33Å; W464-Y467 WeakPolarHBondContact O-CD1 3.4Å; W464-Y467 WeakPolarHBondContact O-CE1 3.42Å
465	V	98.4	Very high	97	Very high	17 Å²	17	47 Å²	47	10%	0.103	24%	0.235	C	C	.	.			trans	-105.5	-17.2	-178.3	-59.8	0	0	0	0	113.5	Y463 Y467 F468 Q682 F685	Y463-V465 PolarHBondContact O-N 2.92Å; V465-Y467 PolarHBondContact O-N 3.22Å; V465-F468 HydrophobicContact CB-CD2 3.83Å; V465-F468 HydrophobicContact CB-CE2 3.68Å; V465-F468 HydrophobicContact CB-CZ 4.49Å; V465-F468 HydrophobicContact CG1-CD2 4.24Å; V465-F468 HydrophobicContact CG1-CE2 3.57Å; V465-F468 HydrophobicContact CG1-CZ 4.18Å; V465-F468 VanDerWaalsContact O-CB 3.29Å; V465-F468 WeakPolarHBondContact O-CB 3.33Å; V465-F468 VanDerWaalsContact O-CD2 3.29Å; V465-F468 WeakPolarHBondContact O-CD2 3.25Å; V465-F468 VanDerWaalsContact O-CG 3.3Å; V465-F468 WeakPolarHBondContact O-CG 3.11Å; V465-F468 PolarHBondContact O-N 3.13Å; V465-F468 VanDerWaalsContact O-N 3.14Å; V465-Q682 WeakPolarHBondContact CG1-O 3.45Å; V465-Q682 HydrophobicContact CG2-CB 3.85Å; V465-F685 HydrophobicContact CB-CB 4.02Å; V465-F685 HydrophobicContact CG1-CB 4.13Å; V465-F685 HydrophobicContact CG2-CB 4.16Å
466	G	98.1	Very high	96.8	Very high	29 Å²	29	52.1 Å²	52.1	30%	0.299	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-62.4	-28.8	178.8	0	0	0	0	0	113.3	F468 T469 S470	G466-F468 PolarHBondContact O-N 2.87Å; G466-T469 PolarHBondContact O-N 3.08Å; G466-S470 PolarHBondContact O-N 2.87Å; G466-S470 PolarHBondContact O-OG 3.41Å
467	Y	98.6	Very high	96.4	Very high	11 Å²	11	52.7 Å²	52.7	4%	0.043	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-72.1	-17	179.3	87.5	-91.2	0	0	0	113.3	A219 N220 F254 W464 V465 T469 K475 T522	A219-Y467 HydrophobicContact CB-CE2 3.76Å; A219-Y467 WeakPolarHBondContact CB-OH 3.4Å; N220-Y467 VanDerWaalsContact ND2-CD2 3.33Å; N220-Y467 WeakPolarHBondContact ND2-CD2 3.3Å; N220-Y467 VanDerWaalsContact ND2-CE2 3.29Å; N220-Y467 WeakPolarHBondContact ND2-CE2 3.3Å; F254-Y467 HydrophobicContact CB-CD1 4.31Å; F254-Y467 HydrophobicContact CB-CE1 3.62Å; F254-Y467 HydrophobicContact CD2-CD1 4.09Å; F254-Y467 HydrophobicContact CD2-CD2 4.22Å; F254-Y467 HydrophobicContact CD2-CE1 4.1Å; F254-Y467 HydrophobicContact CD2-CE2 4.22Å; F254-Y467 HydrophobicContact CD2-CG 4.15Å; F254-Y467 HydrophobicContact CG-CE1 4.39Å; F254-Y467 PolarHBondContact O-OH 3.37Å; W464-Y467 HydrophobicContact CB-CD1 4.33Å; W464-Y467 HydrophobicContact CB-CE1 4.33Å; W464-Y467 WeakPolarHBondContact O-CD1 3.4Å; W464-Y467 WeakPolarHBondContact O-CE1 3.42Å; V465-Y467 PolarHBondContact O-N 3.22Å; Y467-T469 PolarHBondContact O-N 3.27Å; Y467-K475 VanDerWaalsContact O-CE 3.27Å; Y467-K475 WeakPolarHBondContact O-CE 3.16Å; Y467-K475 PolarHBondContact O-NZ 3.17Å; Y467-T522 HydrophobicContact CD2-CG2 3.53Å; Y467-T522 HydrophobicContact CE2-CG2 3.74Å; Y467-T522 VanDerWaalsContact O-O 3.05Å
468	F	98.7	Very high	96.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60.7	-25.6	171.3	-57.9	-25	0	0	0	112	A219 N220 F454 V465 G466 K475 P687 G709 A710	A219-F468 HydrophobicContact CB-CD1 3.96Å; A219-F468 HydrophobicContact CB-CE1 3.74Å; N220-F468 WeakPolarHBondContact OD1-CA 3.4Å; N220-F468 PolarHBondContact OD1-O 3.11Å; N220-F468 VanDerWaalsContact OD1-O 3.12Å; F454-F468 HydrophobicContact CD1-CE1 4.49Å; F454-F468 HydrophobicContact CD1-CZ 4.37Å; V465-F468 HydrophobicContact CB-CD2 3.83Å; V465-F468 HydrophobicContact CB-CE2 3.68Å; V465-F468 HydrophobicContact CB-CZ 4.49Å; V465-F468 HydrophobicContact CG1-CD2 4.24Å; V465-F468 HydrophobicContact CG1-CE2 3.57Å; V465-F468 HydrophobicContact CG1-CZ 4.18Å; V465-F468 VanDerWaalsContact O-CB 3.29Å; V465-F468 WeakPolarHBondContact O-CB 3.33Å; V465-F468 VanDerWaalsContact O-CD2 3.29Å; V465-F468 WeakPolarHBondContact O-CD2 3.25Å; V465-F468 VanDerWaalsContact O-CG 3.3Å; V465-F468 WeakPolarHBondContact O-CG 3.11Å; V465-F468 PolarHBondContact O-N 3.13Å; V465-F468 VanDerWaalsContact O-N 3.14Å; G466-F468 PolarHBondContact O-N 2.87Å; F468-K475 WeakPolarHBondContact O-CE 3.47Å; F468-P687 HydrophobicContact CD1-CB 4.02Å; F468-P687 HydrophobicContact CE1-CB 4.04Å; F468-P687 HydrophobicContact CE1-CG 4.27Å; F468-P687 HydrophobicContact CG-CB 4.3Å; F468-P687 HydrophobicContact CZ-CB 4.34Å; F468-P687 HydrophobicContact CZ-CG 4.28Å; F468-G709 CarbonylContact O-C 3.49Å; F468-G709 WeakPolarHBondContact O-CA 3.37Å; F468-A710 HydrophobicContact CB-CB 3.75Å; F468-A710 HydrophobicContact CD2-CB 4.03Å; F468-A710 HydrophobicContact CG-CB 4.43Å
469	T	98.1	Very high	96	Very high	55 Å²	55	53.4 Å²	53.4	34%	0.337	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-25	-177.9	-54.7	0	0	0	0	113.3	G466 Y467 R471 P472 A710	G466-T469 PolarHBondContact O-N 3.08Å; Y467-T469 PolarHBondContact O-N 3.27Å; T469-R471 PolarHBondContact O-N 2.84Å; T469-P472 VanDerWaalsContact O-CD 3.31Å; T469-P472 WeakPolarHBondContact O-CD 3.38Å; T469-A710 PolarHBondContact OG1-N 3.3Å
470	S	97.8	Very high	95.8	Very high	41 Å²	41	49.2 Å²	49.2	29%	0.287	25%	0.245	S	C	.	.	S	Bend	trans	-47.5	130.7	-175.3	-72.5	0	0	0	0	113.2	G466 K475	G466-S470 PolarHBondContact O-N 2.87Å; G466-S470 PolarHBondContact O-OG 3.41Å; S470-K475 PolarHBondContact O-NZ 2.92Å
471	R	95.6	Very high	95.5	Very high	94 Å²	94	45.4 Å²	45.4	36%	0.355	23%	0.225	S	C	.	.	S	Bend	trans	58.5	55.7	178	-62.8	67.6	173.2	-77.2	14.5	111.8	T469 F473 Y474 K475 G523 A525 M530	T469-R471 PolarHBondContact O-N 2.84Å; R471-F473 PolarHBondContact O-N 3.15Å; R471-F473 VanDerWaalsContact O-N 3.1Å; R471-Y474 HydrophobicContact CB-CD2 4.12Å; R471-Y474 PolarHBondContact O-N 2.91Å; R471-Y474 VanDerWaalsContact O-N 3.08Å; R471-K475 PolarHBondContact O-N 3.38Å; R471-G523 WeakPolarHBondContact CD-O 3.16Å; R471-G523 PolarHBondContact NE-O 3.03Å; R471-G523 VanDerWaalsContact NE-O 3.13Å; R471-G523 PolarHBondContact NH1-O 3.01Å; R471-A525 PolarHBondContact NH1-O 2.99Å; R471-A525 PolarHBondContact NH2-O 3.06Å; R471-M530 HydrophobicContact CB-CE 4.44Å
472	P	95.3	Very high	95.4	Very high	74 Å²	74	41.3 Å²	41.3	48%	0.481	20%	0.204	S	C	.	.	H	α-helix	trans	-64.6	-22.7	-169.6	27.5	-35.7	0	0	0	113.9	T469 Y474 K475 R476	T469-P472 VanDerWaalsContact O-CD 3.31Å; T469-P472 WeakPolarHBondContact O-CD 3.38Å; P472-Y474 PolarHBondContact O-N 3.08Å; P472-K475 PolarHBondContact O-N 3.36Å; P472-R476 PolarHBondContact O-N 3.49Å
473	F	93.5	Very high	95	Very high	147 Å²	147	41.7 Å²	41.7	65%	0.645	20%	0.203	S	C	*	.	H	α-helix	trans	-56.9	-48.3	172.8	176.6	-92.5	0	0	0	111.8	R471 R476 M477	R471-F473 PolarHBondContact O-N 3.15Å; R471-F473 VanDerWaalsContact O-N 3.1Å; F473-R476 PolarHBondContact O-N 3.33Å; F473-M477 HydrophobicContact CE1-SD 4.37Å; F473-M477 WeakPolarHBondContact O-CB 3.44Å; F473-M477 PolarHBondContact O-N 3.38Å
474	Y	95	Very high	94.4	Very high	46 Å²	46	40.9 Å²	40.9	18%	0.18	20%	0.2	C	C	.	.	H	α-helix	trans	-71.7	-37	-178.9	-66	-91.2	0	0	0	111.5	R471 P472 R476 M477 E478 M530	R471-Y474 HydrophobicContact CB-CD2 4.12Å; R471-Y474 PolarHBondContact O-N 2.91Å; R471-Y474 VanDerWaalsContact O-N 3.08Å; P472-Y474 PolarHBondContact O-N 3.08Å; Y474-R476 VanDerWaalsContact C-N 3.35Å; Y474-R476 PolarHBondContact O-N 3.34Å; Y474-M477 HydrophobicContact CD1-CE 3.47Å; Y474-M477 VanDerWaalsContact CD1-CE 3.47Å; Y474-M477 HydrophobicContact CE1-CE 4.12Å; Y474-M477 HydrophobicContact CG-CE 4.36Å; Y474-M477 WeakPolarHBondContact O-CB 3.42Å; Y474-M477 PolarHBondContact O-N 3.21Å; Y474-M477 VanDerWaalsContact O-N 3.14Å; Y474-E478 PolarHBondContact O-N 3.24Å; Y474-M530 HydrophobicContact CD1-CE 4.13Å; Y474-M530 HydrophobicContact CD2-CE 3.85Å; Y474-M530 WeakPolarHBondContact CE1-O 3.48Å; Y474-M530 HydrophobicContact CE2-CB 4.21Å; Y474-M530 HydrophobicContact CE2-CE 4.33Å; Y474-M530 HydrophobicContact CG-CE 3.74Å; Y474-M530 PolarHBondContact OH-O 3.13Å
475	K	96.4	Very high	93.9	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-56.7	-43.7	171.8	-78	177.7	162.1	65.7	0	112.8	N220 Y467 F468 S470 R471 P472 R479 I521 T522 P708	N220-K475 WeakPolarHBondContact OD1-CE 3.4Å; Y467-K475 VanDerWaalsContact O-CE 3.27Å; Y467-K475 WeakPolarHBondContact O-CE 3.16Å; Y467-K475 PolarHBondContact O-NZ 3.17Å; F468-K475 WeakPolarHBondContact O-CE 3.47Å; S470-K475 PolarHBondContact O-NZ 2.92Å; R471-K475 PolarHBondContact O-N 3.38Å; P472-K475 PolarHBondContact O-N 3.36Å; K475-R479 PolarHBondContact O-N 2.84Å; K475-I521 WeakPolarHBondContact CE-O 3.45Å; K475-I521 HydrophobicContact CG-CG1 4.45Å; K475-I521 WeakPolarHBondContact CG-O 3.18Å; K475-I521 PolarHBondContact NZ-O 3.49Å; K475-T522 PolarHBondContact NZ-O 3.29Å; K475-P708 HydrophobicContact CB-CG 3.78Å; K475-P708 HydrophobicContact CD-CG 4.01Å; K475-P708 HydrophobicContact CG-CG 3.86Å
476	R	94.1	Very high	93.4	Very high	108 Å²	108	38.7 Å²	38.7	41%	0.408	19%	0.19	S	C	.	.	H	α-helix	trans	-69.6	-36.8	174.1	175.8	57.4	-178.1	176.9	-1.5	112.5	P472 F473 Y474 E478 R479 T480 G706 Q707	P472-R476 PolarHBondContact O-N 3.49Å; F473-R476 PolarHBondContact O-N 3.33Å; Y474-R476 VanDerWaalsContact C-N 3.35Å; Y474-R476 PolarHBondContact O-N 3.34Å; R476-E478 VanDerWaalsContact C-N 3.31Å; R476-R479 PolarHBondContact O-N 3.42Å; R476-T480 PolarHBondContact O-N 3.36Å; R476-T480 PolarHBondContact O-OG1 3.31Å; R476-G706 WeakPolarHBondContact CD-O 3.44Å; R476-G706 VanDerWaalsContact NH1-C 3.34Å; R476-G706 VanDerWaalsContact NH1-CA 3.26Å; R476-G706 PolarHBondContact NH1-O 3.12Å; R476-Q707 HydrophobicContact CB-CB 3.9Å; R476-Q707 HydrophobicContact CB-CG 4.44Å
477	M	91.4	Very high	92.6	Very high	16 Å²	16	38.4 Å²	38.4	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-40.4	177.1	-172.6	178.7	60.1	0	0	111.2	F473 Y474 T480 L481 I536 A537 L540	F473-M477 HydrophobicContact CE1-SD 4.37Å; F473-M477 WeakPolarHBondContact O-CB 3.44Å; F473-M477 PolarHBondContact O-N 3.38Å; Y474-M477 HydrophobicContact CD1-CE 3.47Å; Y474-M477 VanDerWaalsContact CD1-CE 3.47Å; Y474-M477 HydrophobicContact CE1-CE 4.12Å; Y474-M477 HydrophobicContact CG-CE 4.36Å; Y474-M477 WeakPolarHBondContact O-CB 3.42Å; Y474-M477 PolarHBondContact O-N 3.21Å; Y474-M477 VanDerWaalsContact O-N 3.14Å; M477-T480 WeakPolarHBondContact O-CB 3.26Å; M477-T480 PolarHBondContact O-N 3.4Å; M477-L481 PolarHBondContact O-N 2.65Å; M477-I536 HydrophobicContact CE-CB 3.86Å; M477-I536 HydrophobicContact CE-CD1 4.41Å; M477-I536 HydrophobicContact CE-CG2 3.66Å; M477-I536 HydrophobicContact CG-CG2 3.84Å; M477-I536 HydrophobicContact SD-CB 4.45Å; M477-I536 HydrophobicContact SD-CG2 3.94Å; M477-A537 HydrophobicContact SD-CB 3.9Å; M477-L540 HydrophobicContact CG-CD1 3.62Å; M477-L540 HydrophobicContact SD-CD1 4.44Å
478	E	93.7	Very high	91.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-52.2	175	-174	-78.6	157.6	0	0	111.9	S225 Y474 R476 T480 L481 A482 L512 F515 Q516 I521	S225-E478 WeakPolarHBondContact CB-OE1 3.19Å; S225-E478 PolarHBondContact OG-OE1 3.43Å; Y474-E478 PolarHBondContact O-N 3.24Å; R476-E478 VanDerWaalsContact C-N 3.31Å; E478-T480 PolarHBondContact O-N 3.47Å; E478-L481 CarbonylContact O-C 3.49Å; E478-L481 WeakPolarHBondContact O-CA 3.35Å; E478-L481 PolarHBondContact O-N 2.96Å; E478-A482 PolarHBondContact O-N 3.03Å; E478-L512 HydrophobicContact CG-CD1 4.05Å; E478-F515 HydrophobicContact CB-CD1 3.76Å; E478-F515 HydrophobicContact CB-CE1 3.7Å; E478-F515 HydrophobicContact CG-CD1 3.69Å; E478-F515 HydrophobicContact CG-CE1 4.08Å; E478-Q516 PolarHBondContact OE1-NE2 2.57Å; E478-Q516 VanDerWaalsContact OE1-NE2 3.08Å; E478-I521 HydrophobicContact CB-CD1 4.44Å; E478-I521 HydrophobicContact CG-CD1 3.84Å; E478-I521 HydrophobicContact CG-CG1 4.43Å
479	R	93.7	Very high	91	Very high	29 Å²	29	39.7 Å²	39.7	11%	0.109	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-35	178	-68.8	-61.1	-169.8	-93.2	0.9	112.3	N220 K475 R476 H483 P689 G706	N220-R479 PolarHBondContact O-NH1 3.31Å; N220-R479 PolarHBondContact O-NH2 3.39Å; K475-R479 PolarHBondContact O-N 2.84Å; R476-R479 PolarHBondContact O-N 3.42Å; R479-H483 PolarHBondContact O-N 3.13Å; R479-P689 PolarHBondContact NH2-O 2.68Å; R479-G706 WeakPolarHBondContact CB-O 3.39Å
480	T	90.4	Very high	90.3	Very high	25 Å²	25	39.8 Å²	39.8	15%	0.153	19%	0.186	C	C	.	.	H	α-helix	trans	-67.5	-44.7	175.3	-52.1	0	0	0	0	110.5	R476 M477 E478 H483 H484 L540	R476-T480 PolarHBondContact O-N 3.36Å; R476-T480 PolarHBondContact O-OG1 3.31Å; M477-T480 WeakPolarHBondContact O-CB 3.26Å; M477-T480 PolarHBondContact O-N 3.4Å; E478-T480 PolarHBondContact O-N 3.47Å; T480-H483 PolarHBondContact O-N 3.11Å; T480-H484 PolarHBondContact O-N 2.84Å; T480-H484 VanDerWaalsContact O-N 3.1Å; T480-H484 PolarHBondContact O-ND1 2.98Å; T480-L540 HydrophobicContact CG2-CD2 3.89Å
481	L	89.1	Confident	89.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-43.2	178.5	179.1	62.6	0	0	0	111.7	M477 E478 H483 H484 V485 L512 I536 L540	M477-L481 PolarHBondContact O-N 2.65Å; E478-L481 CarbonylContact O-C 3.49Å; E478-L481 WeakPolarHBondContact O-CA 3.35Å; E478-L481 PolarHBondContact O-N 2.96Å; L481-H483 VanDerWaalsContact C-N 3.29Å; L481-H483 PolarHBondContact O-N 2.88Å; L481-H484 CarbonylContact O-C 3.58Å; L481-H484 WeakPolarHBondContact O-CA 3.45Å; L481-H484 WeakPolarHBondContact O-CB 3.48Å; L481-H484 PolarHBondContact O-N 3.03Å; L481-V485 HydrophobicContact CD1-CG2 3.9Å; L481-V485 HydrophobicContact CG-CG2 4.08Å; L481-V485 WeakPolarHBondContact O-CG2 3.37Å; L481-V485 PolarHBondContact O-N 3.39Å; L481-L512 HydrophobicContact CB-CD1 4.39Å; L481-L512 HydrophobicContact CD2-CB 3.78Å; L481-L512 HydrophobicContact CD2-CD1 4.13Å; L481-L512 HydrophobicContact CG-CB 4.3Å; L481-L512 HydrophobicContact CG-CD1 4.21Å; L481-I536 HydrophobicContact CB-CG2 4Å; L481-I536 HydrophobicContact CD2-CB 4.12Å; L481-I536 HydrophobicContact CD2-CG1 4Å; L481-I536 HydrophobicContact CD2-CG2 3.5Å; L481-I536 HydrophobicContact CG-CG2 4.28Å; L481-L540 VanDerWaalsContact CA-CD2 3.46Å; L481-L540 HydrophobicContact CB-CD2 3.86Å; L481-L540 HydrophobicContact CB-CG 4.07Å; L481-L540 HydrophobicContact CD1-CD2 3.98Å; L481-L540 HydrophobicContact CD1-CG 4.05Å
482	A	91.6	Very high	88.3	Confident	7 Å²	7	37.2 Å²	37.2	6%	0.058	17%	0.171	C	C	.	.	H	α-helix	trans	-54.4	-46.6	175.8	0	0	0	0	0	111.5	F224 E478 H484 V485 R486 L512	F224-A482 HydrophobicContact CD1-CB 3.9Å; F224-A482 HydrophobicContact CE1-CB 4.27Å; F224-A482 WeakPolarHBondContact CE1-O 3.36Å; E478-A482 PolarHBondContact O-N 3.03Å; A482-H484 VanDerWaalsContact C-N 3.29Å; A482-H484 PolarHBondContact O-N 2.77Å; A482-V485 PolarHBondContact O-N 3.44Å; A482-R486 WeakPolarHBondContact O-CB 3.41Å; A482-R486 PolarHBondContact O-N 3.22Å; A482-L512 HydrophobicContact CB-CD1 4.27Å; A482-L512 HydrophobicContact CB-CD2 4.21Å
483	H	89.3	Confident	87.3	Confident	76 Å²	76	37.7 Å²	37.7	35%	0.352	17%	0.17	S	C	.	.	H	α-helix	trans	-59.5	-39.7	172.5	175.9	66.8	0	0	0	112.3	R479 T480 L481 R486 W487	R479-H483 PolarHBondContact O-N 3.13Å; T480-H483 PolarHBondContact O-N 3.11Å; L481-H483 VanDerWaalsContact C-N 3.29Å; L481-H483 PolarHBondContact O-N 2.88Å; H483-R486 PolarHBondContact O-N 2.97Å; H483-W487 PolarHBondContact O-N 2.99Å
484	H	85.4	Confident	86.3	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-44.5	-179.9	-75.4	54.3	0	0	0	113.3	T480 L481 A482 W487 A488 L540 H563	T480-H484 PolarHBondContact O-N 2.84Å; T480-H484 VanDerWaalsContact O-N 3.1Å; T480-H484 PolarHBondContact O-ND1 2.98Å; L481-H484 CarbonylContact O-C 3.58Å; L481-H484 WeakPolarHBondContact O-CA 3.45Å; L481-H484 WeakPolarHBondContact O-CB 3.48Å; L481-H484 PolarHBondContact O-N 3.03Å; A482-H484 VanDerWaalsContact C-N 3.29Å; A482-H484 PolarHBondContact O-N 2.77Å; H484-W487 VanDerWaalsContact CA-CD1 3.4Å; H484-W487 VanDerWaalsContact CA-NE1 3.34Å; H484-W487 AromaticContact CD2-NE1 3.65Å; H484-W487 AromaticContact CG-NE1 3.72Å; H484-W487 PolarHBondContact O-NE1 3.39Å; H484-A488 WeakPolarHBondContact O-CB 3.46Å; H484-A488 PolarHBondContact O-N 3.23Å; H484-L540 HydrophobicContact CB-CD2 4.21Å; H484-H563 AromaticContact CE1-CE1 3.12Å; H484-H563 PolarHBondContact CE1-CE1 3.37Å; H484-H563 AromaticContact CE1-ND1 3.25Å; H484-H563 PolarHBondContact CE1-ND1 3.46Å; H484-H563 VanDerWaalsContact CE1-ND1 3.25Å; H484-H563 AromaticContact NE2-CE1 3.24Å; H484-H563 PolarHBondContact NE2-CE1 2.94Å; H484-H563 AromaticContact NE2-ND1 3.69Å
485	V	87	Confident	85.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-43.9	176.2	170.2	0	0	0	0	110.4	F224 L481 A482 W487 A488 N489 A508 R509 L512	F224-V485 HydrophobicContact CE1-CG1 4.36Å; F224-V485 HydrophobicContact CZ-CG1 4.29Å; L481-V485 HydrophobicContact CD1-CG2 3.9Å; L481-V485 HydrophobicContact CG-CG2 4.08Å; L481-V485 WeakPolarHBondContact O-CG2 3.37Å; L481-V485 PolarHBondContact O-N 3.39Å; A482-V485 PolarHBondContact O-N 3.44Å; V485-W487 PolarHBondContact O-N 2.82Å; V485-A488 PolarHBondContact O-N 2.96Å; V485-N489 WeakPolarHBondContact O-CB 3.35Å; V485-N489 PolarHBondContact O-N 2.66Å; V485-N489 PolarHBondContact O-ND2 3.33Å; V485-A508 HydrophobicContact CG2-CB 4.09Å; V485-R509 HydrophobicContact CG1-CG 3.65Å; V485-L512 HydrophobicContact CB-CD2 4.17Å; V485-L512 HydrophobicContact CG1-CD2 4.33Å; V485-L512 HydrophobicContact CG2-CD2 4.11Å
486	R	88.1	Confident	83.7	Confident	50 Å²	50	44 Å²	44	19%	0.189	20%	0.203	C	C	.	.	H	α-helix	trans	-55.2	-54.6	177.1	179.1	176.7	170.6	158	2.7	112	D28 F224 A482 H483 Q490 S581	D28-R486 IonicContact OD2-NH2 2.66Å; F224-R486 HydrophobicContact CE1-CB 4.4Å; F224-R486 HydrophobicContact CE2-CB 3.76Å; F224-R486 HydrophobicContact CE2-CG 4.05Å; F224-R486 HydrophobicContact CZ-CB 3.67Å; F224-R486 HydrophobicContact CZ-CG 4.45Å; A482-R486 WeakPolarHBondContact O-CB 3.41Å; A482-R486 PolarHBondContact O-N 3.22Å; H483-R486 PolarHBondContact O-N 2.97Å; R486-Q490 WeakPolarHBondContact O-CG 3.47Å; R486-Q490 PolarHBondContact O-N 3.19Å; R486-Q490 VanDerWaalsContact O-N 3.16Å; R486-S581 PolarHBondContact NH2-O 3.4Å
487	W	82	Confident	82.2	Confident	22 Å²	22	39.6 Å²	39.6	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-71.2	-34.4	-177.8	78.2	-107.4	0	0	0	112	H483 H484 V485 Q490 W491 T543 Y579	H483-W487 PolarHBondContact O-N 2.99Å; H484-W487 VanDerWaalsContact CA-CD1 3.4Å; H484-W487 VanDerWaalsContact CA-NE1 3.34Å; H484-W487 AromaticContact CD2-NE1 3.65Å; H484-W487 AromaticContact CG-NE1 3.72Å; H484-W487 PolarHBondContact O-NE1 3.39Å; V485-W487 PolarHBondContact O-N 2.82Å; W487-Q490 PolarHBondContact O-N 3.32Å; W487-W491 HydrophobicContact CE3-CB 4.21Å; W487-W491 HydrophobicContact CZ3-CB 4.36Å; W487-W491 WeakPolarHBondContact O-CB 3.21Å; W487-W491 PolarHBondContact O-N 3.49Å; W487-T543 VanDerWaalsContact CH2-O 3.27Å; W487-T543 WeakPolarHBondContact CH2-O 3.38Å; W487-T543 VanDerWaalsContact CZ2-O 3.25Å; W487-T543 WeakPolarHBondContact CZ2-O 3.27Å; W487-Y579 HydrophobicContact CB-CD1 3.94Å; W487-Y579 HydrophobicContact CB-CE1 3.62Å
488	A	81.7	Confident	81	Confident	11 Å²	11	41.9 Å²	41.9	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-39.3	177.9	0	0	0	0	0	111.7	H484 V485 W491 F492 L505 T543	H484-A488 WeakPolarHBondContact O-CB 3.46Å; H484-A488 PolarHBondContact O-N 3.23Å; V485-A488 PolarHBondContact O-N 2.96Å; A488-W491 PolarHBondContact O-N 3.22Å; A488-F492 VanDerWaalsContact O-CB 3.32Å; A488-F492 WeakPolarHBondContact O-CB 3.01Å; A488-F492 PolarHBondContact O-N 3.23Å; A488-L505 HydrophobicContact CB-CD1 3.76Å; A488-T543 HydrophobicContact CB-CG2 4.44Å
489	N	82	Confident	79.9	Confident	28 Å²	28	46.4 Å²	46.4	15%	0.15	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-52	170.7	-78.5	-30.6	0	0	0	110.7	V485 W491 F492 D493 L505 R509	V485-N489 WeakPolarHBondContact O-CB 3.35Å; V485-N489 PolarHBondContact O-N 2.66Å; V485-N489 PolarHBondContact O-ND2 3.33Å; N489-W491 VanDerWaalsContact C-N 3.28Å; N489-W491 PolarHBondContact O-N 3.29Å; N489-F492 WeakPolarHBondContact O-CB 3.36Å; N489-F492 PolarHBondContact O-N 3.49Å; N489-D493 PolarHBondContact O-N 3.44Å; N489-D493 VanDerWaalsContact O-N 3.16Å; N489-L505 WeakPolarHBondContact OD1-CD1 3.4Å; N489-L505 VanDerWaalsContact OD1-CD2 3.3Å; N489-L505 WeakPolarHBondContact OD1-CD2 3.28Å; N489-L505 WeakPolarHBondContact OD1-CG 3.29Å; N489-R509 PolarHBondContact OD1-NH1 3.4Å
490	Q	82.7	Confident	78.8	Confident	56 Å²	56	51.4 Å²	51.4	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-57.8	-39.8	178.8	-69.6	173.8	-5.9	0	0	112.4	R486 W487 I494 Y579 S581	R486-Q490 WeakPolarHBondContact O-CG 3.47Å; R486-Q490 PolarHBondContact O-N 3.19Å; R486-Q490 VanDerWaalsContact O-N 3.16Å; W487-Q490 PolarHBondContact O-N 3.32Å; Q490-I494 WeakPolarHBondContact O-CG1 3.39Å; Q490-Y579 WeakPolarHBondContact CB-OH 3.25Å; Q490-Y579 PolarHBondContact OE1-OH 3.26Å; Q490-S581 PolarHBondContact NE2-O 3.45Å
491	W	75.4	Confident	78	Confident	39 Å²	39	51.3 Å²	51.3	15%	0.148	27%	0.265	C	S	.	.	H	α-helix	trans	-72.6	-36.2	179.1	-166.5	-97.1	0	0	0	112.9	W487 A488 N489 D493 I494 S495 C551 Y579	W487-W491 HydrophobicContact CE3-CB 4.21Å; W487-W491 HydrophobicContact CZ3-CB 4.36Å; W487-W491 WeakPolarHBondContact O-CB 3.21Å; W487-W491 PolarHBondContact O-N 3.49Å; A488-W491 PolarHBondContact O-N 3.22Å; N489-W491 VanDerWaalsContact C-N 3.28Å; N489-W491 PolarHBondContact O-N 3.29Å; W491-D493 VanDerWaalsContact C-N 3.31Å; W491-D493 PolarHBondContact O-N 2.78Å; W491-I494 PolarHBondContact O-N 3.09Å; W491-S495 WeakPolarHBondContact O-CB 3.38Å; W491-S495 PolarHBondContact O-N 3.21Å; W491-S495 PolarHBondContact O-OG 3.37Å; W491-C551 VanDerWaalsContact CH2-SG 3.5Å; W491-C551 HydrophobicContact CZ2-CB 4.1Å; W491-C551 WeakPolarHBondContact CZ2-SG 3.3Å; W491-Y579 HydrophobicContact CE3-CD2 4.2Å; W491-Y579 AromaticContact CE3-CE2 3.94Å; W491-Y579 HydrophobicContact CE3-CE2 3.94Å; W491-Y579 HydrophobicContact CZ3-CD2 4.22Å; W491-Y579 HydrophobicContact CZ3-CE2 4.17Å
492	F	76.5	Confident	77.6	Confident	42 Å²	42	55.9 Å²	55.9	18%	0.184	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-43.7	175.5	-175.3	-84.2	0	0	0	111	A488 N489 I494 S495 Y496 P497 L501 F502 L505	A488-F492 VanDerWaalsContact O-CB 3.32Å; A488-F492 WeakPolarHBondContact O-CB 3.01Å; A488-F492 PolarHBondContact O-N 3.23Å; N489-F492 WeakPolarHBondContact O-CB 3.36Å; N489-F492 PolarHBondContact O-N 3.49Å; F492-I494 VanDerWaalsContact C-N 3.26Å; F492-I494 PolarHBondContact O-N 2.98Å; F492-S495 PolarHBondContact O-N 3.35Å; F492-Y496 PolarHBondContact O-N 2.8Å; F492-P497 HydrophobicContact CB-CG 4.4Å; F492-P497 HydrophobicContact CD2-CG 3.14Å; F492-P497 HydrophobicContact CE2-CG 3.31Å; F492-P497 HydrophobicContact CG-CG 3.82Å; F492-P497 HydrophobicContact CZ-CG 4.09Å; F492-P497 WeakPolarHBondContact O-CD 3.09Å; F492-L501 HydrophobicContact CD2-CD2 4.27Å; F492-L501 HydrophobicContact CD2-CG 4.27Å; F492-F502 AromaticContact CE1-CD2 3.94Å; F492-F502 HydrophobicContact CE1-CD2 3.94Å; F492-F502 HydrophobicContact CE2-CB 3.59Å; F492-F502 AromaticContact CE2-CD2 3.88Å; F492-F502 HydrophobicContact CE2-CD2 3.88Å; F492-F502 HydrophobicContact CE2-CG 4.23Å; F492-F502 HydrophobicContact CZ-CB 3.74Å; F492-F502 AromaticContact CZ-CD2 3.45Å; F492-F502 HydrophobicContact CZ-CD2 3.45Å; F492-F502 VanDerWaalsContact CZ-CD2 3.45Å; F492-F502 HydrophobicContact CZ-CE2 4.46Å; F492-F502 AromaticContact CZ-CG 4Å; F492-F502 HydrophobicContact CZ-CG 4Å; F492-L505 HydrophobicContact CB-CD2 3.83Å; F492-L505 HydrophobicContact CD2-CD2 3.97Å; F492-L505 HydrophobicContact CG-CD2 3.85Å
493	D	74.6	Confident	77.3	Confident	84 Å²	84	62 Å²	62	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-32.5	179	-69.2	-21.2	0	0	0	112.9	N489 W491	N489-D493 PolarHBondContact O-N 3.44Å; N489-D493 VanDerWaalsContact O-N 3.16Å; W491-D493 VanDerWaalsContact C-N 3.31Å; W491-D493 PolarHBondContact O-N 2.78Å
494	I	72.5	Confident	76.9	Confident	114 Å²	114	59.9 Å²	59.9	59%	0.585	30%	0.304	S	S	*	.	H	α-helix	trans	-80.7	-38.4	-180	-63.4	167	0	0	0	111.7	Q490 W491 F492	Q490-I494 WeakPolarHBondContact O-CG1 3.39Å; W491-I494 PolarHBondContact O-N 3.09Å; F492-I494 VanDerWaalsContact C-N 3.26Å; F492-I494 PolarHBondContact O-N 2.98Å
495	S	69.2	Low	76.9	Confident	38 Å²	38	60 Å²	60	27%	0.266	30%	0.304	S	S	.	.	H	α-helix	trans	-93.4	-8.7	-165.1	56.8	0	0	0	0	115.5	W491 F492 P497	W491-S495 WeakPolarHBondContact O-CB 3.38Å; W491-S495 PolarHBondContact O-N 3.21Å; W491-S495 PolarHBondContact O-OG 3.37Å; F492-S495 PolarHBondContact O-N 3.35Å; S495-P497 VanDerWaalsContact C-CD 3.49Å; S495-P497 VanDerWaalsContact C-N 3.28Å; S495-P497 WeakPolarHBondContact OG-CD 3.14Å
496	Y	67.2	Low	77	Confident	176 Å²	176	61.1 Å²	61.1	69%	0.69	31%	0.311	S	S	*	.			trans	38.4	54.9	-169.9	-73.3	-87.4	0	0	0	113.1	F492	F492-Y496 PolarHBondContact O-N 2.8Å
497	P	62.6	Low	77	Confident	14 Å²	14	61.3 Å²	61.3	9%	0.091	32%	0.32	C	S	.	.			trans	-77.2	165.6	-165.1	34.6	-37.7	0	0	0	112.4	F492 S495 L501	F492-P497 HydrophobicContact CB-CG 4.4Å; F492-P497 HydrophobicContact CD2-CG 3.14Å; F492-P497 HydrophobicContact CE2-CG 3.31Å; F492-P497 HydrophobicContact CG-CG 3.82Å; F492-P497 HydrophobicContact CZ-CG 4.09Å; F492-P497 WeakPolarHBondContact O-CD 3.09Å; S495-P497 VanDerWaalsContact C-CD 3.49Å; S495-P497 VanDerWaalsContact C-N 3.28Å; S495-P497 WeakPolarHBondContact OG-CD 3.14Å; P497-L501 HydrophobicContact CB-CB 4.28Å; P497-L501 HydrophobicContact CB-CD2 3.74Å; P497-L501 HydrophobicContact CG-CB 4.36Å; P497-L501 HydrophobicContact CG-CD2 3.66Å; P497-L501 HydrophobicContact CG-CG 4.36Å
498	A	65.5	Low	77.4	Confident	65 Å²	65	60.3 Å²	60.3	54%	0.537	32%	0.316	S	S	.	.			trans	-53.9	154.6	-179.9	0	0	0	0	0	113.2	E500 L501	A498-E500 PolarHBondContact O-N 3.08Å; A498-L501 PolarHBondContact O-N 3.2Å
499	S	71.5	Confident	77.9	Confident	94 Å²	94	61.4 Å²	61.4	66%	0.657	32%	0.318	S	S	*	.	H	α-helix	trans	-54.2	-29.1	-178.2	54.2	0	0	0	0	114.5	F502 Q503	S499-F502 WeakPolarHBondContact O-CB 3.45Å; S499-F502 PolarHBondContact O-N 2.88Å; S499-Q503 PolarHBondContact O-N 2.63Å
500	E	71.1	Confident	78.5	Confident	135 Å²	135	62.2 Å²	62.2	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-63.8	-42.6	177.5	-66.9	-179.2	-176	0	0	112.1	A498 F502 Q503 D504	A498-E500 PolarHBondContact O-N 3.08Å; E500-F502 VanDerWaalsContact C-N 3.26Å; E500-F502 PolarHBondContact O-N 2.8Å; E500-Q503 WeakPolarHBondContact O-CB 3.26Å; E500-Q503 PolarHBondContact O-N 3.49Å; E500-Q503 VanDerWaalsContact O-N 3.13Å; E500-D504 PolarHBondContact O-N 2.85Å; E500-D504 VanDerWaalsContact O-N 3.11Å; E500-D504 VanDerWaalsContact O-OD2 3.09Å
501	L	73.3	Confident	79.1	Confident	22 Å²	22	61.3 Å²	61.3	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-34.6	179.2	-177.7	62.1	0	0	0	111.2	F492 P497 A498 Q503 D504 L505 K546	F492-L501 HydrophobicContact CD2-CD2 4.27Å; F492-L501 HydrophobicContact CD2-CG 4.27Å; P497-L501 HydrophobicContact CB-CB 4.28Å; P497-L501 HydrophobicContact CB-CD2 3.74Å; P497-L501 HydrophobicContact CG-CB 4.36Å; P497-L501 HydrophobicContact CG-CD2 3.66Å; P497-L501 HydrophobicContact CG-CG 4.36Å; A498-L501 PolarHBondContact O-N 3.2Å; L501-Q503 VanDerWaalsContact C-N 3.31Å; L501-Q503 PolarHBondContact O-N 2.83Å; L501-D504 PolarHBondContact O-N 3.44Å; L501-L505 WeakPolarHBondContact O-CB 3.3Å; L501-L505 PolarHBondContact O-N 3.03Å; L501-K546 HydrophobicContact CD1-CB 3.9Å
502	F	81.7	Confident	80	Confident	96 Å²	96	59.4 Å²	59.4	42%	0.421	31%	0.309	S	S	.	.	H	α-helix	trans	-60.5	-42.7	174.9	-176.1	-108.4	0	0	0	111.3	F492 S499 E500 L505 V506	F492-F502 AromaticContact CE1-CD2 3.94Å; F492-F502 HydrophobicContact CE1-CD2 3.94Å; F492-F502 HydrophobicContact CE2-CB 3.59Å; F492-F502 AromaticContact CE2-CD2 3.88Å; F492-F502 HydrophobicContact CE2-CD2 3.88Å; F492-F502 HydrophobicContact CE2-CG 4.23Å; F492-F502 HydrophobicContact CZ-CB 3.74Å; F492-F502 AromaticContact CZ-CD2 3.45Å; F492-F502 HydrophobicContact CZ-CD2 3.45Å; F492-F502 VanDerWaalsContact CZ-CD2 3.45Å; F492-F502 HydrophobicContact CZ-CE2 4.46Å; F492-F502 AromaticContact CZ-CG 4Å; F492-F502 HydrophobicContact CZ-CG 4Å; S499-F502 WeakPolarHBondContact O-CB 3.45Å; S499-F502 PolarHBondContact O-N 2.88Å; E500-F502 VanDerWaalsContact C-N 3.26Å; E500-F502 PolarHBondContact O-N 2.8Å; F502-L505 PolarHBondContact O-N 3.43Å; F502-V506 HydrophobicContact CD1-CG2 4.08Å; F502-V506 HydrophobicContact CD2-CG2 4.46Å; F502-V506 HydrophobicContact CE1-CG2 3.71Å; F502-V506 HydrophobicContact CE2-CG2 4.13Å; F502-V506 HydrophobicContact CG-CG2 4.45Å; F502-V506 HydrophobicContact CZ-CG2 3.74Å; F502-V506 VanDerWaalsContact O-CG2 3.23Å; F502-V506 WeakPolarHBondContact O-CG2 3.19Å; F502-V506 PolarHBondContact O-N 3.36Å
503	Q	83.5	Confident	81	Confident	135 Å²	135	57.4 Å²	57.4	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-64.5	-42	177.6	-69.8	-179.2	-23.9	0	0	112.2	S499 E500 L501 L505 V506 S507	S499-Q503 PolarHBondContact O-N 2.63Å; E500-Q503 WeakPolarHBondContact O-CB 3.26Å; E500-Q503 PolarHBondContact O-N 3.49Å; E500-Q503 VanDerWaalsContact O-N 3.13Å; L501-Q503 VanDerWaalsContact C-N 3.31Å; L501-Q503 PolarHBondContact O-N 2.83Å; Q503-L505 VanDerWaalsContact C-N 3.31Å; Q503-L505 PolarHBondContact O-N 2.65Å; Q503-V506 PolarHBondContact O-N 3.45Å; Q503-S507 WeakPolarHBondContact O-CB 3.17Å; Q503-S507 PolarHBondContact O-N 3.12Å
504	D	81.6	Confident	82.1	Confident	33 Å²	33	54.6 Å²	54.6	18%	0.176	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-39.8	175.5	-62	-66	0	0	0	111.9	E500 L501 S507 A508 K546	E500-D504 PolarHBondContact O-N 2.85Å; E500-D504 VanDerWaalsContact O-N 3.11Å; E500-D504 VanDerWaalsContact O-OD2 3.09Å; L501-D504 PolarHBondContact O-N 3.44Å; D504-S507 PolarHBondContact O-N 2.78Å; D504-A508 WeakPolarHBondContact O-CB 3.42Å; D504-A508 PolarHBondContact O-N 2.73Å; D504-K546 IonicContact OD1-NZ 3.16Å; D504-K546 PolarHBondContact OD1-NZ 3.21Å; D504-K546 WeakPolarHBondContact OD2-CD 3.36Å; D504-K546 WeakPolarHBondContact OD2-CE 3.36Å; D504-K546 IonicContact OD2-NZ 3.37Å; D504-K546 PolarHBondContact OD2-NZ 2.68Å
505	L	84.6	Confident	83.3	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-45.9	178.9	-177	60.7	0	0	0	111.4	A488 N489 F492 L501 F502 Q503 S507 A508 R509	A488-L505 HydrophobicContact CB-CD1 3.76Å; N489-L505 WeakPolarHBondContact OD1-CD1 3.4Å; N489-L505 VanDerWaalsContact OD1-CD2 3.3Å; N489-L505 WeakPolarHBondContact OD1-CD2 3.28Å; N489-L505 WeakPolarHBondContact OD1-CG 3.29Å; F492-L505 HydrophobicContact CB-CD2 3.83Å; F492-L505 HydrophobicContact CD2-CD2 3.97Å; F492-L505 HydrophobicContact CG-CD2 3.85Å; L501-L505 WeakPolarHBondContact O-CB 3.3Å; L501-L505 PolarHBondContact O-N 3.03Å; F502-L505 PolarHBondContact O-N 3.43Å; Q503-L505 VanDerWaalsContact C-N 3.31Å; Q503-L505 PolarHBondContact O-N 2.65Å; L505-S507 VanDerWaalsContact C-N 3.31Å; L505-S507 PolarHBondContact O-N 3.28Å; L505-A508 PolarHBondContact O-N 3.31Å; L505-R509 WeakPolarHBondContact O-CG 3.43Å; L505-R509 PolarHBondContact O-N 2.98Å
506	V	89	Confident	84.6	Confident	24 Å²	24	47.3 Å²	47.3	15%	0.145	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-45.3	173.1	171.6	0	0	0	0	110.3	F502 Q503 A508 R509 R510	F502-V506 HydrophobicContact CD1-CG2 4.08Å; F502-V506 HydrophobicContact CD2-CG2 4.46Å; F502-V506 HydrophobicContact CE1-CG2 3.71Å; F502-V506 HydrophobicContact CE2-CG2 4.13Å; F502-V506 HydrophobicContact CG-CG2 4.45Å; F502-V506 HydrophobicContact CZ-CG2 3.74Å; F502-V506 VanDerWaalsContact O-CG2 3.23Å; F502-V506 WeakPolarHBondContact O-CG2 3.19Å; F502-V506 PolarHBondContact O-N 3.36Å; Q503-V506 PolarHBondContact O-N 3.45Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 2.75Å; V506-R509 VanDerWaalsContact CG2-NH2 3.32Å; V506-R509 PolarHBondContact O-N 2.8Å; V506-R510 HydrophobicContact CG1-CG 4.43Å; V506-R510 WeakPolarHBondContact O-CB 3.26Å; V506-R510 WeakPolarHBondContact O-CG 3.45Å; V506-R510 PolarHBondContact O-N 2.8Å
507	S	89.4	Confident	86.1	Confident	55 Å²	55	39 Å²	39	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-61	-41.9	176.7	176.7	0	0	0	0	111.9	Q503 D504 L505 N511	Q503-S507 WeakPolarHBondContact O-CB 3.17Å; Q503-S507 PolarHBondContact O-N 3.12Å; D504-S507 PolarHBondContact O-N 2.78Å; L505-S507 VanDerWaalsContact C-N 3.31Å; L505-S507 PolarHBondContact O-N 3.28Å; S507-N511 WeakPolarHBondContact O-CB 3.41Å; S507-N511 PolarHBondContact O-N 2.93Å; S507-N511 PolarHBondContact O-ND2 3.09Å
508	A	89.9	Confident	87.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-42.7	177.6	0	0	0	0	0	112.9	V485 D504 L505 V506 N511 L512 T543	V485-A508 HydrophobicContact CG2-CB 4.09Å; D504-A508 WeakPolarHBondContact O-CB 3.42Å; D504-A508 PolarHBondContact O-N 2.73Å; L505-A508 PolarHBondContact O-N 3.31Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 2.75Å; A508-N511 PolarHBondContact O-N 2.81Å; A508-L512 WeakPolarHBondContact O-CB 3.35Å; A508-L512 PolarHBondContact O-N 2.58Å; A508-T543 HydrophobicContact CB-CG2 3.36Å
509	R	92.1	Very high	89.4	Confident	34 Å²	34	35.4 Å²	35.4	13%	0.128	18%	0.182	C	C	.	.	H	α-helix	trans	-60.1	-49.4	173.6	-73.7	-165.1	-55.7	-109.2	2.4	111.5	E232 V485 N489 L505 V506 N511 L512 A513	E232-R509 IonicContact OE2-NE 3.85Å; E232-R509 PolarHBondContact OE2-NE 2.73Å; V485-R509 HydrophobicContact CG1-CG 3.65Å; N489-R509 PolarHBondContact OD1-NH1 3.4Å; L505-R509 WeakPolarHBondContact O-CG 3.43Å; L505-R509 PolarHBondContact O-N 2.98Å; V506-R509 VanDerWaalsContact CG2-NH2 3.32Å; V506-R509 PolarHBondContact O-N 2.8Å; R509-N511 VanDerWaalsContact C-N 3.33Å; R509-N511 PolarHBondContact O-N 2.74Å; R509-L512 WeakPolarHBondContact O-CB 3.43Å; R509-L512 PolarHBondContact O-N 2.94Å; R509-A513 VanDerWaalsContact O-CB 3.24Å; R509-A513 WeakPolarHBondContact O-CB 3.41Å; R509-A513 PolarHBondContact O-N 3.24Å
510	R	95	Very high	90.7	Very high	46 Å²	46	30.9 Å²	30.9	17%	0.174	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-36.4	179.7	-72.2	177.1	176.9	-160.7	-6.9	113.3	E183 W213 E232 V506 A513 L514	E183-R510 VanDerWaalsContact CD-NH1 3.28Å; E183-R510 IonicContact OE1-CZ 3.4Å; E183-R510 IonicContact OE1-NH1 3.94Å; E183-R510 PolarHBondContact OE1-NH1 3.34Å; E183-R510 IonicContact OE1-NH2 2.68Å; E183-R510 PolarHBondContact OE1-NH2 3.39Å; E183-R510 IonicContact OE2-NH1 3.92Å; W213-R510 HydrophobicContact CH2-CG 4.09Å; W213-R510 HydrophobicContact CZ2-CB 4.05Å; W213-R510 HydrophobicContact CZ2-CG 3.76Å; W213-R510 PolarHBondContact NE1-O 3.49Å; E232-R510 HydrophobicContact CG-CG 3.93Å; E232-R510 WeakPolarHBondContact OE1-CG 3.37Å; E232-R510 IonicContact OE1-CZ 2.8Å; E232-R510 IonicContact OE1-NE 3.54Å; E232-R510 PolarHBondContact OE1-NE 3.11Å; E232-R510 IonicContact OE1-NH2 3.4Å; V506-R510 HydrophobicContact CG1-CG 4.43Å; V506-R510 WeakPolarHBondContact O-CB 3.26Å; V506-R510 WeakPolarHBondContact O-CG 3.45Å; V506-R510 PolarHBondContact O-N 2.8Å; R510-A513 PolarHBondContact O-N 2.7Å; R510-L514 VanDerWaalsContact O-CB 3.25Å; R510-L514 WeakPolarHBondContact O-CB 3.33Å; R510-L514 PolarHBondContact O-N 3.17Å
511	N	94.4	Very high	92	Very high	36 Å²	36	24.5 Å²	24.5	19%	0.193	12%	0.121	C	C	.	.	H	α-helix	trans	-70.8	-39	174.9	-71.1	-13.9	0	0	0	112	S507 A508 R509 A513 F515 I536 S539	S507-N511 WeakPolarHBondContact O-CB 3.41Å; S507-N511 PolarHBondContact O-N 2.93Å; S507-N511 PolarHBondContact O-ND2 3.09Å; A508-N511 PolarHBondContact O-N 2.81Å; R509-N511 VanDerWaalsContact C-N 3.33Å; R509-N511 PolarHBondContact O-N 2.74Å; N511-A513 VanDerWaalsContact C-N 3.34Å; N511-F515 PolarHBondContact O-N 2.66Å; N511-I536 HydrophobicContact CB-CG1 4.32Å; N511-S539 PolarHBondContact ND2-OG 3.2Å
512	L	94.7	Very high	93.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.2	-45.9	171.9	178.8	62.6	0	0	0	110.9	F224 E478 L481 A482 V485 A508 R509 F515 Q516	F224-L512 HydrophobicContact CE1-CD2 4.05Å; E478-L512 HydrophobicContact CG-CD1 4.05Å; L481-L512 HydrophobicContact CB-CD1 4.39Å; L481-L512 HydrophobicContact CD2-CB 3.78Å; L481-L512 HydrophobicContact CD2-CD1 4.13Å; L481-L512 HydrophobicContact CG-CB 4.3Å; L481-L512 HydrophobicContact CG-CD1 4.21Å; A482-L512 HydrophobicContact CB-CD1 4.27Å; A482-L512 HydrophobicContact CB-CD2 4.21Å; V485-L512 HydrophobicContact CB-CD2 4.17Å; V485-L512 HydrophobicContact CG1-CD2 4.33Å; V485-L512 HydrophobicContact CG2-CD2 4.11Å; A508-L512 WeakPolarHBondContact O-CB 3.35Å; A508-L512 PolarHBondContact O-N 2.58Å; R509-L512 WeakPolarHBondContact O-CB 3.43Å; R509-L512 PolarHBondContact O-N 2.94Å; L512-F515 PolarHBondContact O-N 2.82Å; L512-Q516 WeakPolarHBondContact O-CG 3.37Å; L512-Q516 PolarHBondContact O-N 2.79Å; L512-Q516 PolarHBondContact O-NE2 2.94Å
513	A	97.2	Very high	94	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.6	-46.4	-179.6	0	0	0	0	0	112	W213 V214 Q229 R509 R510 N511 F515 Q516	W213-A513 HydrophobicContact CB-CB 3.91Å; W213-A513 VanDerWaalsContact CD1-CB 3.48Å; W213-A513 HydrophobicContact CG-CB 3.77Å; V214-A513 WeakPolarHBondContact CG2-O 3.35Å; Q229-A513 HydrophobicContact CB-CB 3.46Å; Q229-A513 VanDerWaalsContact CB-CB 3.46Å; R509-A513 VanDerWaalsContact O-CB 3.24Å; R509-A513 WeakPolarHBondContact O-CB 3.41Å; R509-A513 PolarHBondContact O-N 3.24Å; R510-A513 PolarHBondContact O-N 2.7Å; N511-A513 VanDerWaalsContact C-N 3.34Å; A513-F515 PolarHBondContact O-N 2.73Å; A513-Q516 WeakPolarHBondContact O-CB 3.45Å; A513-Q516 PolarHBondContact O-N 2.79Å; A513-Q516 VanDerWaalsContact O-N 3.11Å
514	L	97.7	Very high	94.7	Very high	24 Å²	24	14.9 Å²	14.9	13%	0.126	8%	0.081	C	C	.	.	H	α-helix	trans	-57.9	-39.2	176.8	-175.5	66.9	0	0	0	111.1	P141 F147 V214 R510 Q516 H517 Y533	P141-L514 HydrophobicContact CB-CD1 3.48Å; P141-L514 VanDerWaalsContact CB-CD1 3.48Å; F147-L514 HydrophobicContact CD2-CD1 3.78Å; F147-L514 HydrophobicContact CE2-CD1 4.17Å; V214-L514 HydrophobicContact CG1-CD1 4.16Å; R510-L514 VanDerWaalsContact O-CB 3.25Å; R510-L514 WeakPolarHBondContact O-CB 3.33Å; R510-L514 PolarHBondContact O-N 3.17Å; L514-Q516 VanDerWaalsContact C-N 3.26Å; L514-Q516 PolarHBondContact O-N 2.94Å; L514-H517 WeakPolarHBondContact O-CB 3.42Å; L514-H517 PolarHBondContact O-N 3.11Å; L514-Y533 HydrophobicContact CD2-CE1 4.31Å; L514-Y533 HydrophobicContact CG-CE1 4.06Å
515	F	97.5	Very high	95.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-71.7	-16.7	-179.4	-164.8	-116.4	0	0	0	114.7	E478 N511 L512 A513 H517 G520 I521 M530 Y533 I536	E478-F515 HydrophobicContact CB-CD1 3.76Å; E478-F515 HydrophobicContact CB-CE1 3.7Å; E478-F515 HydrophobicContact CG-CD1 3.69Å; E478-F515 HydrophobicContact CG-CE1 4.08Å; N511-F515 PolarHBondContact O-N 2.66Å; L512-F515 PolarHBondContact O-N 2.82Å; A513-F515 PolarHBondContact O-N 2.73Å; F515-H517 PolarHBondContact O-N 3.22Å; F515-G520 VanDerWaalsContact CE2-C 3.45Å; F515-G520 WeakPolarHBondContact CE2-O 3.27Å; F515-G520 CarbonylContact O-C 3.59Å; F515-I521 HydrophobicContact CD1-CB 4.14Å; F515-I521 HydrophobicContact CE1-CB 3.89Å; F515-I521 HydrophobicContact CE1-CG1 4.03Å; F515-I521 HydrophobicContact CZ-CB 4.41Å; F515-I521 WeakPolarHBondContact O-CB 3.48Å; F515-I521 PolarHBondContact O-N 3.15Å; F515-M530 HydrophobicContact CE2-CE 4.03Å; F515-M530 HydrophobicContact CZ-CE 4.31Å; F515-Y533 HydrophobicContact CD2-CD1 4.05Å; F515-Y533 HydrophobicContact CD2-CD2 4.22Å; F515-Y533 AromaticContact CD2-CG 3.75Å; F515-Y533 HydrophobicContact CD2-CG 3.75Å; F515-Y533 HydrophobicContact CE2-CD2 4.2Å; F515-Y533 HydrophobicContact CE2-CG 4.06Å; F515-I536 HydrophobicContact CB-CD1 3.26Å; F515-I536 HydrophobicContact CB-CG1 4.38Å; F515-I536 HydrophobicContact CD1-CD1 3.67Å; F515-I536 HydrophobicContact CD2-CD1 3.54Å; F515-I536 HydrophobicContact CE1-CD1 4.43Å; F515-I536 HydrophobicContact CE2-CD1 4.32Å; F515-I536 HydrophobicContact CG-CD1 3.16Å
516	Q	98.3	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.3	173.3	-53.3	-48.5	-64.2	0	0	112.4	V214 T216 D217 S221 S225 Q229 E478 L512 A513 L514	V214-Q516 HydrophobicContact CG2-CB 4.13Å; T216-Q516 CarbonylContact C-O 3.59Å; T216-Q516 VanDerWaalsContact CA-O 3.29Å; T216-Q516 WeakPolarHBondContact CA-O 3.37Å; T216-Q516 PolarHBondContact OG1-O 3.35Å; D217-Q516 PolarHBondContact N-O 3.07Å; S221-Q516 PolarHBondContact OG-OE1 2.65Å; S225-Q516 VanDerWaalsContact CB-OE1 3.24Å; Q229-Q516 HydrophobicContact CB-CG 4.48Å; Q229-Q516 HydrophobicContact CG-CB 4.31Å; Q229-Q516 HydrophobicContact CG-CG 4.27Å; E478-Q516 PolarHBondContact OE1-NE2 2.57Å; E478-Q516 VanDerWaalsContact OE1-NE2 3.08Å; L512-Q516 WeakPolarHBondContact O-CG 3.37Å; L512-Q516 PolarHBondContact O-N 2.79Å; L512-Q516 PolarHBondContact O-NE2 2.94Å; A513-Q516 WeakPolarHBondContact O-CB 3.45Å; A513-Q516 PolarHBondContact O-N 2.79Å; A513-Q516 VanDerWaalsContact O-N 3.11Å; L514-Q516 VanDerWaalsContact C-N 3.26Å; L514-Q516 PolarHBondContact O-N 2.94Å
517	H	98.6	Very high	96.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-49.8	144.1	174.8	178.4	-128.5	0	0	0	111.5	D140 P141 G142 V214 L514 F515 D519 G520 I521 Y533	D140-H517 IonicContact OD1-CE1 3.23Å; D140-H517 IonicContact OD1-NE2 2.75Å; P141-H517 VanDerWaalsContact CD-CD2 3.42Å; P141-H517 WeakPolarHBondContact CD-CD2 3.36Å; P141-H517 WeakPolarHBondContact CD-NE2 3.43Å; G142-H517 PolarHBondContact O-CE1 2.66Å; G142-H517 PolarHBondContact O-ND1 2.75Å; V214-H517 HydrophobicContact CB-CB 4.22Å; V214-H517 HydrophobicContact CG1-CB 4.24Å; V214-H517 HydrophobicContact CG2-CB 4.37Å; L514-H517 WeakPolarHBondContact O-CB 3.42Å; L514-H517 PolarHBondContact O-N 3.11Å; F515-H517 PolarHBondContact O-N 3.22Å; H517-D519 PolarHBondContact CE1-N 2.79Å; H517-D519 IonicContact CE1-OD2 2.67Å; H517-D519 PolarHBondContact CE1-OD2 2.68Å; H517-D519 VanDerWaalsContact CE1-OD2 3.26Å; H517-D519 PolarHBondContact ND1-N 2.64Å; H517-D519 IonicContact NE2-OD2 3.24Å; H517-D519 PolarHBondContact O-N 2.72Å; H517-G520 WeakPolarHBondContact O-CA 3.29Å; H517-G520 PolarHBondContact O-N 3.48Å; H517-I521 PolarHBondContact O-N 3.31Å; H517-Y533 PolarHBondContact ND1-OH 2.97Å
518	H	98.6	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-2.2	179.4	56.5	-86.5	0	0	0	114.7	H138 D140 Q215 D252 F254 T522 T524	H138-H518 AromaticContact CE1-CE1 3.53Å; H138-H518 AromaticContact CE1-NE2 3.58Å; H138-H518 AromaticContact NE2-CE1 3.79Å; H138-H518 AromaticContact NE2-NE2 3.37Å; H138-H518 PolarHBondContact NE2-NE2 2.9Å; D140-H518 IonicContact OD1-CE1 3.75Å; D140-H518 IonicContact OD1-NE2 3.92Å; D140-H518 PolarHBondContact OD1-NE2 2.65Å; Q215-H518 PolarHBondContact O-N 2.85Å; Q215-H518 PolarHBondContact O-ND1 3.04Å; D252-H518 IonicContact OD2-CD2 2.82Å; D252-H518 PolarHBondContact OD2-CD2 3.35Å; D252-H518 IonicContact OD2-NE2 3.95Å; D252-H518 PolarHBondContact OD2-NE2 3Å; F254-H518 WeakPolarHBondContact CE2-O 3.3Å; F254-H518 WeakPolarHBondContact CZ-O 3.23Å; H518-T522 VanDerWaalsContact C-OG1 3.31Å; H518-T522 VanDerWaalsContact O-CB 3.3Å; H518-T522 WeakPolarHBondContact O-CB 3.2Å; H518-T522 WeakPolarHBondContact O-CG2 3.37Å; H518-T522 PolarHBondContact O-OG1 2.84Å; H518-T524 PolarHBondContact O-OG1 2.77Å
519	D	98.6	Very high	97.3	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-5.8	161.6	-66.1	-67.5	0	0	0	116	G142 W143 H517 T522 T524 A525	G142-D519 WeakPolarHBondContact O-CB 3.44Å; W143-D519 HydrophobicContact CB-CB 4.07Å; W143-D519 WeakPolarHBondContact CB-OD2 3.43Å; W143-D519 VanDerWaalsContact CD1-OD1 3.22Å; W143-D519 HydrophobicContact CG-CB 4.36Å; H517-D519 PolarHBondContact CE1-N 2.79Å; H517-D519 IonicContact CE1-OD2 2.67Å; H517-D519 PolarHBondContact CE1-OD2 2.68Å; H517-D519 VanDerWaalsContact CE1-OD2 3.26Å; H517-D519 PolarHBondContact ND1-N 2.64Å; H517-D519 IonicContact NE2-OD2 3.24Å; H517-D519 PolarHBondContact O-N 2.72Å; D519-T522 VanDerWaalsContact CA-OG1 3.25Å; D519-T522 WeakPolarHBondContact CA-OG1 3.49Å; D519-T524 WeakPolarHBondContact CA-OG1 3.48Å; D519-T524 WeakPolarHBondContact OD1-CB 3.25Å; D519-T524 PolarHBondContact OD1-OG1 2.7Å; D519-A525 HydrophobicContact CB-CB 4.24Å; D519-A525 WeakPolarHBondContact O-CB 3.48Å; D519-A525 PolarHBondContact O-N 3.47Å
520	G	98	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-85.8	175.8	0	0	0	0	0	111.5	F515 H517 T522 G523	F515-G520 VanDerWaalsContact CE2-C 3.45Å; F515-G520 WeakPolarHBondContact CE2-O 3.27Å; F515-G520 CarbonylContact O-C 3.59Å; H517-G520 WeakPolarHBondContact O-CA 3.29Å; H517-G520 PolarHBondContact O-N 3.48Å; G520-T522 PolarHBondContact O-N 3.32Å; G520-G523 PolarHBondContact O-N 3.01Å
521	I	98.1	Very high	97.5	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.8	-175.6	-167	174.6	0	0	0	113.1	D217 N220 K475 E478 F515 H517 G523	D217-I521 HydrophobicContact CB-CG2 3.54Å; N220-I521 HydrophobicContact CB-CD1 4.07Å; N220-I521 HydrophobicContact CB-CG1 4.01Å; N220-I521 HydrophobicContact CB-CG2 4.41Å; K475-I521 WeakPolarHBondContact CE-O 3.45Å; K475-I521 HydrophobicContact CG-CG1 4.45Å; K475-I521 WeakPolarHBondContact CG-O 3.18Å; K475-I521 PolarHBondContact NZ-O 3.49Å; E478-I521 HydrophobicContact CB-CD1 4.44Å; E478-I521 HydrophobicContact CG-CD1 3.84Å; E478-I521 HydrophobicContact CG-CG1 4.43Å; F515-I521 HydrophobicContact CD1-CB 4.14Å; F515-I521 HydrophobicContact CE1-CB 3.89Å; F515-I521 HydrophobicContact CE1-CG1 4.03Å; F515-I521 HydrophobicContact CZ-CB 4.41Å; F515-I521 WeakPolarHBondContact O-CB 3.48Å; F515-I521 PolarHBondContact O-N 3.15Å; H517-I521 PolarHBondContact O-N 3.31Å; I521-G523 PolarHBondContact O-N 2.97Å
522	T	98.5	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.9	173.8	57.6	0	0	0	0	112.2	D217 F254 Y467 K475 H518 D519 G520 T524	D217-T522 HydrophobicContact CB-CG2 3.72Å; D217-T522 VanDerWaalsContact CG-CG2 3.45Å; F254-T522 HydrophobicContact CD2-CG2 4.39Å; F254-T522 HydrophobicContact CE2-CG2 4.22Å; Y467-T522 HydrophobicContact CD2-CG2 3.53Å; Y467-T522 HydrophobicContact CE2-CG2 3.74Å; Y467-T522 VanDerWaalsContact O-O 3.05Å; K475-T522 PolarHBondContact NZ-O 3.29Å; H518-T522 VanDerWaalsContact C-OG1 3.31Å; H518-T522 VanDerWaalsContact O-CB 3.3Å; H518-T522 WeakPolarHBondContact O-CB 3.2Å; H518-T522 WeakPolarHBondContact O-CG2 3.37Å; H518-T522 PolarHBondContact O-OG1 2.84Å; D519-T522 VanDerWaalsContact CA-OG1 3.25Å; D519-T522 WeakPolarHBondContact CA-OG1 3.49Å; G520-T522 PolarHBondContact O-N 3.32Å; T522-T524 PolarHBondContact OG1-N 3.42Å; T522-T524 PolarHBondContact OG1-OG1 3.07Å
523	G	98.1	Very high	97.4	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	50	-172.9	0	0	0	0	0	111	R471 G520 I521	R471-G523 WeakPolarHBondContact CD-O 3.16Å; R471-G523 PolarHBondContact NE-O 3.03Å; R471-G523 VanDerWaalsContact NE-O 3.13Å; R471-G523 PolarHBondContact NH1-O 3.01Å; G520-G523 PolarHBondContact O-N 3.01Å; I521-G523 PolarHBondContact O-N 2.97Å
524	T	98.5	Very high	96.7	Very high	48 Å²	48	28.1 Å²	28.1	29%	0.294	15%	0.145	S	C	.	.			trans	-111.3	-8.9	173.5	46.7	0	0	0	0	113.2	F254 H518 D519 T522	F254-T524 HydrophobicContact CE2-CG2 4.01Å; H518-T524 PolarHBondContact O-OG1 2.77Å; D519-T524 WeakPolarHBondContact CA-OG1 3.48Å; D519-T524 WeakPolarHBondContact OD1-CB 3.25Å; D519-T524 PolarHBondContact OD1-OG1 2.7Å; T522-T524 PolarHBondContact OG1-N 3.42Å; T522-T524 PolarHBondContact OG1-OG1 3.07Å
525	A	98.3	Very high	95.7	Very high	1 Å²	1	30 Å²	30	1%	0.008	16%	0.157	C	C	.	.	S	Bend	trans	-66.9	163.3	171.8	0	0	0	0	0	113.9	W143 R471 D519 V529 M530 Y533	W143-A525 CarbonylContact O-C 3.59Å; W143-A525 VanDerWaalsContact O-CA 3.29Å; W143-A525 WeakPolarHBondContact O-CA 3.27Å; W143-A525 WeakPolarHBondContact O-CB 3.45Å; R471-A525 PolarHBondContact NH1-O 2.99Å; R471-A525 PolarHBondContact NH2-O 3.06Å; D519-A525 HydrophobicContact CB-CB 4.24Å; D519-A525 WeakPolarHBondContact O-CB 3.48Å; D519-A525 PolarHBondContact O-N 3.47Å; A525-V529 HydrophobicContact CB-CB 3.94Å; A525-V529 HydrophobicContact CB-CG1 3.79Å; A525-M530 HydrophobicContact CB-CG 4.36Å; A525-M530 HydrophobicContact CB-SD 3.88Å; A525-Y533 HydrophobicContact CB-CE2 4.19Å
526	K	98.1	Very high	94.4	Very high	110 Å²	110	30.2 Å²	30.2	48%	0.478	16%	0.158	S	C	.	.			trans	-64.5	155.3	172.4	-77.5	-173.4	-179.8	-79.5	0	111.6	W143 V144 Y528 V529 M530	W143-K526 PolarHBondContact O-N 2.94Å; V144-K526 HydrophobicContact CG1-CD 4.15Å; K526-Y528 VanDerWaalsContact C-N 3.32Å; K526-Y528 HydrophobicContact CB-CD1 3.85Å; K526-Y528 HydrophobicContact CB-CE1 3.77Å; K526-Y528 HydrophobicContact CD-CD1 4.45Å; K526-Y528 HydrophobicContact CD-CE1 3.75Å; K526-Y528 HydrophobicContact CG-CE1 4.42Å; K526-Y528 PolarHBondContact O-N 3.36Å; K526-V529 HydrophobicContact CB-CG2 4.26Å; K526-V529 WeakPolarHBondContact O-CA 3.39Å; K526-V529 WeakPolarHBondContact O-CB 3.41Å; K526-V529 PolarHBondContact O-N 2.9Å; K526-M530 PolarHBondContact O-N 2.84Å
527	T	96.8	Very high	92.7	Very high	103 Å²	103	32 Å²	32	63%	0.632	17%	0.173	S	C	*	.	H	α-helix	trans	-51.8	-44.8	-176.6	-54.2	0	0	0	0	114	V529 M530 Q531	T527-V529 VanDerWaalsContact C-N 3.33Å; T527-V529 PolarHBondContact O-N 3.17Å; T527-M530 WeakPolarHBondContact O-CB 3.42Å; T527-M530 PolarHBondContact O-N 3.15Å; T527-Q531 WeakPolarHBondContact O-CG 3.49Å; T527-Q531 PolarHBondContact O-N 3.06Å
528	Y	97.4	Very high	91.4	Very high	90 Å²	90	36.2 Å²	36.2	35%	0.353	20%	0.199	S	C	.	.	H	α-helix	trans	-70.8	-29.6	-179.1	77.4	-84	0	0	0	112.6	V144 K145 T146 E149 K526 Q531 D532	V144-Y528 WeakPolarHBondContact O-CE1 3.24Å; V144-Y528 VanDerWaalsContact O-CZ 3.23Å; V144-Y528 PolarHBondContact O-OH 3.38Å; K145-Y528 VanDerWaalsContact CA-OH 3.31Å; K145-Y528 WeakPolarHBondContact CA-OH 3.48Å; T146-Y528 HydrophobicContact CG2-CD2 4.02Å; T146-Y528 HydrophobicContact CG2-CE2 3.95Å; E149-Y528 WeakPolarHBondContact OE2-CE2 3.36Å; K526-Y528 VanDerWaalsContact C-N 3.32Å; K526-Y528 HydrophobicContact CB-CD1 3.85Å; K526-Y528 HydrophobicContact CB-CE1 3.77Å; K526-Y528 HydrophobicContact CD-CD1 4.45Å; K526-Y528 HydrophobicContact CD-CE1 3.75Å; K526-Y528 HydrophobicContact CG-CE1 4.42Å; K526-Y528 PolarHBondContact O-N 3.36Å; Y528-Q531 WeakPolarHBondContact O-CB 3.42Å; Y528-Q531 PolarHBondContact O-N 2.97Å; Y528-D532 PolarHBondContact O-N 3.01Å
529	V	97.8	Very high	90.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.9	-38.9	172.1	-176.6	0	0	0	0	110.6	K145 T146 A525 K526 T527 Q531 D532 Y533	K145-V529 WeakPolarHBondContact O-CG2 3.42Å; T146-V529 HydrophobicContact CG2-CG2 4.28Å; A525-V529 HydrophobicContact CB-CB 3.94Å; A525-V529 HydrophobicContact CB-CG1 3.79Å; K526-V529 HydrophobicContact CB-CG2 4.26Å; K526-V529 WeakPolarHBondContact O-CA 3.39Å; K526-V529 WeakPolarHBondContact O-CB 3.41Å; K526-V529 PolarHBondContact O-N 2.9Å; T527-V529 VanDerWaalsContact C-N 3.33Å; T527-V529 PolarHBondContact O-N 3.17Å; V529-Q531 VanDerWaalsContact C-N 3.26Å; V529-Q531 PolarHBondContact O-N 3.19Å; V529-D532 WeakPolarHBondContact O-CB 3.29Å; V529-D532 PolarHBondContact O-N 3.35Å; V529-D532 VanDerWaalsContact O-N 3.12Å; V529-Y533 HydrophobicContact CG1-CD2 4.23Å; V529-Y533 HydrophobicContact CG1-CE2 3.82Å; V529-Y533 WeakPolarHBondContact O-CD2 3.35Å; V529-Y533 PolarHBondContact O-N 2.93Å
530	M	96.6	Very high	88.3	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-35.9	171.3	-64.9	-57	-51.7	0	0	112.2	R471 Y474 F515 A525 K526 T527 D532 Y533 G534	R471-M530 HydrophobicContact CB-CE 4.44Å; Y474-M530 HydrophobicContact CD1-CE 4.13Å; Y474-M530 HydrophobicContact CD2-CE 3.85Å; Y474-M530 WeakPolarHBondContact CE1-O 3.48Å; Y474-M530 HydrophobicContact CE2-CB 4.21Å; Y474-M530 HydrophobicContact CE2-CE 4.33Å; Y474-M530 HydrophobicContact CG-CE 3.74Å; Y474-M530 PolarHBondContact OH-O 3.13Å; F515-M530 HydrophobicContact CE2-CE 4.03Å; F515-M530 HydrophobicContact CZ-CE 4.31Å; A525-M530 HydrophobicContact CB-CG 4.36Å; A525-M530 HydrophobicContact CB-SD 3.88Å; K526-M530 PolarHBondContact O-N 2.84Å; T527-M530 WeakPolarHBondContact O-CB 3.42Å; T527-M530 PolarHBondContact O-N 3.15Å; M530-D532 VanDerWaalsContact C-N 3.34Å; M530-Y533 HydrophobicContact SD-CD2 4.11Å; M530-G534 PolarHBondContact O-N 2.57Å
531	Q	95.1	Very high	86.8	Confident	123 Å²	123	46.9 Å²	46.9	58%	0.575	24%	0.241	S	C	*	.	H	α-helix	trans	-66.5	-36.4	174	-70.1	169.2	-4.3	0	0	112	T527 Y528 V529 G534	T527-Q531 WeakPolarHBondContact O-CG 3.49Å; T527-Q531 PolarHBondContact O-N 3.06Å; Y528-Q531 WeakPolarHBondContact O-CB 3.42Å; Y528-Q531 PolarHBondContact O-N 2.97Å; V529-Q531 VanDerWaalsContact C-N 3.26Å; V529-Q531 PolarHBondContact O-N 3.19Å; Q531-G534 WeakPolarHBondContact O-CA 3.43Å; Q531-G534 PolarHBondContact O-N 3.31Å
532	D	95	Very high	85.3	Confident	56 Å²	56	48 Å²	48	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-47.3	173.7	-175.1	60	0	0	0	111.8	T146 Y528 V529 M530 G534 V535	T146-D532 HydrophobicContact CG2-CB 3.63Å; Y528-D532 PolarHBondContact O-N 3.01Å; V529-D532 WeakPolarHBondContact O-CB 3.29Å; V529-D532 PolarHBondContact O-N 3.35Å; V529-D532 VanDerWaalsContact O-N 3.12Å; M530-D532 VanDerWaalsContact C-N 3.34Å; D532-G534 PolarHBondContact O-N 3.04Å; D532-V535 WeakPolarHBondContact O-CB 3.36Å; D532-V535 WeakPolarHBondContact O-CG2 3.44Å; D532-V535 PolarHBondContact O-N 3.24Å
533	Y	92.2	Very high	83.4	Confident	7 Å²	7	48.2 Å²	48.2	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-24.3	167.6	-70.2	-46.7	0	0	0	112.9	P141 G142 L514 F515 H517 A525 V529 M530 V535 I536	P141-Y533 PolarHBondContact O-OH 3.12Å; G142-Y533 VanDerWaalsContact C-OH 3.31Å; G142-Y533 VanDerWaalsContact CA-OH 3.26Å; G142-Y533 WeakPolarHBondContact CA-OH 3.31Å; G142-Y533 PolarHBondContact O-OH 3.36Å; L514-Y533 HydrophobicContact CD2-CE1 4.31Å; L514-Y533 HydrophobicContact CG-CE1 4.06Å; F515-Y533 HydrophobicContact CD2-CD1 4.05Å; F515-Y533 HydrophobicContact CD2-CD2 4.22Å; F515-Y533 AromaticContact CD2-CG 3.75Å; F515-Y533 HydrophobicContact CD2-CG 3.75Å; F515-Y533 HydrophobicContact CE2-CD2 4.2Å; F515-Y533 HydrophobicContact CE2-CG 4.06Å; H517-Y533 PolarHBondContact ND1-OH 2.97Å; A525-Y533 HydrophobicContact CB-CE2 4.19Å; V529-Y533 HydrophobicContact CG1-CD2 4.23Å; V529-Y533 HydrophobicContact CG1-CE2 3.82Å; V529-Y533 WeakPolarHBondContact O-CD2 3.35Å; V529-Y533 PolarHBondContact O-N 2.93Å; M530-Y533 HydrophobicContact SD-CD2 4.11Å; Y533-V535 PolarHBondContact O-N 3.12Å; Y533-I536 WeakPolarHBondContact O-CB 3.38Å; Y533-I536 VanDerWaalsContact O-CD1 3.32Å; Y533-I536 WeakPolarHBondContact O-CD1 3.27Å; Y533-I536 VanDerWaalsContact O-CG1 3.27Å; Y533-I536 WeakPolarHBondContact O-CG1 3.32Å; Y533-I536 PolarHBondContact O-N 2.91Å
534	G	81.9	Confident	81.5	Confident	17 Å²	17	48.3 Å²	48.3	18%	0.175	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.4	171.6	0	0	0	0	0	114.8	M530 Q531 D532 I536 A537	M530-G534 PolarHBondContact O-N 2.57Å; Q531-G534 WeakPolarHBondContact O-CA 3.43Å; Q531-G534 PolarHBondContact O-N 3.31Å; D532-G534 PolarHBondContact O-N 3.04Å; G534-I536 PolarHBondContact O-N 3.1Å; G534-I536 VanDerWaalsContact O-N 3.13Å; G534-A537 WeakPolarHBondContact O-CB 3.38Å; G534-A537 PolarHBondContact O-N 2.87Å
535	V	77.9	Confident	79.7	Confident	65 Å²	65	54.4 Å²	54.4	39%	0.394	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.4	169.4	174.3	0	0	0	0	112.3	D532 Y533 A537 T538 S539	D532-V535 WeakPolarHBondContact O-CB 3.36Å; D532-V535 WeakPolarHBondContact O-CG2 3.44Å; D532-V535 PolarHBondContact O-N 3.24Å; Y533-V535 PolarHBondContact O-N 3.12Å; V535-A537 PolarHBondContact O-N 3.25Å; V535-A537 VanDerWaalsContact O-N 3.15Å; V535-T538 WeakPolarHBondContact O-CA 3.29Å; V535-T538 VanDerWaalsContact O-CB 3.23Å; V535-T538 WeakPolarHBondContact O-CB 3.49Å; V535-T538 PolarHBondContact O-N 2.73Å; V535-S539 PolarHBondContact O-N 3.18Å
536	I	69.2	Low	77.8	Confident	3 Å²	3	58 Å²	58	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-49	-36.1	165.2	-74.2	164.1	0	0	0	112.6	M477 L481 N511 F515 Y533 G534 T538 S539 L540	M477-I536 HydrophobicContact CE-CB 3.86Å; M477-I536 HydrophobicContact CE-CD1 4.41Å; M477-I536 HydrophobicContact CE-CG2 3.66Å; M477-I536 HydrophobicContact CG-CG2 3.84Å; M477-I536 HydrophobicContact SD-CB 4.45Å; M477-I536 HydrophobicContact SD-CG2 3.94Å; L481-I536 HydrophobicContact CB-CG2 4Å; L481-I536 HydrophobicContact CD2-CB 4.12Å; L481-I536 HydrophobicContact CD2-CG1 4Å; L481-I536 HydrophobicContact CD2-CG2 3.5Å; L481-I536 HydrophobicContact CG-CG2 4.28Å; N511-I536 HydrophobicContact CB-CG1 4.32Å; F515-I536 HydrophobicContact CB-CD1 3.26Å; F515-I536 HydrophobicContact CB-CG1 4.38Å; F515-I536 HydrophobicContact CD1-CD1 3.67Å; F515-I536 HydrophobicContact CD2-CD1 3.54Å; F515-I536 HydrophobicContact CE1-CD1 4.43Å; F515-I536 HydrophobicContact CE2-CD1 4.32Å; F515-I536 HydrophobicContact CG-CD1 3.16Å; Y533-I536 WeakPolarHBondContact O-CB 3.38Å; Y533-I536 VanDerWaalsContact O-CD1 3.32Å; Y533-I536 WeakPolarHBondContact O-CD1 3.27Å; Y533-I536 VanDerWaalsContact O-CG1 3.27Å; Y533-I536 WeakPolarHBondContact O-CG1 3.32Å; Y533-I536 PolarHBondContact O-N 2.91Å; G534-I536 PolarHBondContact O-N 3.1Å; G534-I536 VanDerWaalsContact O-N 3.13Å; I536-T538 PolarHBondContact O-N 2.95Å; I536-S539 WeakPolarHBondContact O-CB 3.46Å; I536-S539 PolarHBondContact O-N 3.17Å; I536-L540 PolarHBondContact O-N 3.47Å
537	A	62.9	Low	75.6	Confident	37 Å²	37	53 Å²	53	31%	0.306	26%	0.264	S	S	.	.	H	α-helix	trans	-64	-30.5	176	0	0	0	0	0	112.5	M477 G534 V535 L540 R541	M477-A537 HydrophobicContact SD-CB 3.9Å; G534-A537 WeakPolarHBondContact O-CB 3.38Å; G534-A537 PolarHBondContact O-N 2.87Å; V535-A537 PolarHBondContact O-N 3.25Å; V535-A537 VanDerWaalsContact O-N 3.15Å; A537-L540 WeakPolarHBondContact O-CB 3.35Å; A537-R541 WeakPolarHBondContact O-CG 3.41Å; A537-R541 PolarHBondContact O-N 2.88Å
538	T	71.2	Confident	73.5	Confident	90 Å²	90	49.7 Å²	49.7	55%	0.552	24%	0.244	S	C	*	.	H	α-helix	trans	-71.7	-42.9	173.1	-54.6	0	0	0	0	110.4	V535 I536 L540 R541 S542	V535-T538 WeakPolarHBondContact O-CA 3.29Å; V535-T538 VanDerWaalsContact O-CB 3.23Å; V535-T538 WeakPolarHBondContact O-CB 3.49Å; V535-T538 PolarHBondContact O-N 2.73Å; I536-T538 PolarHBondContact O-N 2.95Å; T538-L540 VanDerWaalsContact C-N 3.28Å; T538-L540 PolarHBondContact O-N 3.46Å; T538-R541 WeakPolarHBondContact O-CB 3.39Å; T538-R541 PolarHBondContact O-N 2.97Å; T538-S542 PolarHBondContact O-N 3.33Å
539	S	70.9	Confident	71.3	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-33.7	174.6	-63.7	0	0	0	0	113.1	N511 V535 I536 R541 S542 T543	N511-S539 PolarHBondContact ND2-OG 3.2Å; V535-S539 PolarHBondContact O-N 3.18Å; I536-S539 WeakPolarHBondContact O-CB 3.46Å; I536-S539 PolarHBondContact O-N 3.17Å; S539-R541 VanDerWaalsContact C-N 3.33Å; S539-S542 WeakPolarHBondContact CA-OG 3.47Å; S539-S542 PolarHBondContact O-N 3.24Å; S539-S542 PolarHBondContact O-OG 3.26Å; S539-S542 VanDerWaalsContact O-OG 3.07Å; S539-T543 WeakPolarHBondContact O-CB 3.41Å; S539-T543 WeakPolarHBondContact O-CG2 3.17Å; S539-T543 PolarHBondContact O-N 2.9Å; S539-T543 PolarHBondContact O-OG1 2.58Å
540	L	61.1	Low	69	Low	29 Å²	29	52.5 Å²	52.5	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-42.3	171.1	-82.5	172.3	0	0	0	112.1	M477 T480 L481 H484 I536 A537 T538 T543 G544	M477-L540 HydrophobicContact CG-CD1 3.62Å; M477-L540 HydrophobicContact SD-CD1 4.44Å; T480-L540 HydrophobicContact CG2-CD2 3.89Å; L481-L540 VanDerWaalsContact CA-CD2 3.46Å; L481-L540 HydrophobicContact CB-CD2 3.86Å; L481-L540 HydrophobicContact CB-CG 4.07Å; L481-L540 HydrophobicContact CD1-CD2 3.98Å; L481-L540 HydrophobicContact CD1-CG 4.05Å; H484-L540 HydrophobicContact CB-CD2 4.21Å; I536-L540 PolarHBondContact O-N 3.47Å; A537-L540 WeakPolarHBondContact O-CB 3.35Å; T538-L540 VanDerWaalsContact C-N 3.28Å; T538-L540 PolarHBondContact O-N 3.46Å; L540-T543 PolarHBondContact O-OG1 3.47Å; L540-G544 PolarHBondContact O-N 2.7Å
541	R	66.4	Low	66.7	Low	196 Å²	196	53.7 Å²	53.7	74%	0.74	27%	0.272	S	S	*	.	H	α-helix	trans	-70.8	-40	179.3	-68.3	175.2	-176.5	-176.9	3	111.8	A537 T538 S539 R545	A537-R541 WeakPolarHBondContact O-CG 3.41Å; A537-R541 PolarHBondContact O-N 2.88Å; T538-R541 WeakPolarHBondContact O-CB 3.39Å; T538-R541 PolarHBondContact O-N 2.97Å; S539-R541 VanDerWaalsContact C-N 3.33Å; R541-R545 WeakPolarHBondContact O-CB 3.29Å; R541-R545 PolarHBondContact O-N 2.86Å
542	S	66.7	Low	64.3	Low	25 Å²	25	58.3 Å²	58.3	18%	0.175	28%	0.284	C	S	.	.	H	α-helix	trans	-69.3	-50.1	-179.3	63.1	0	0	0	0	111.6	T538 S539 K546	T538-S542 PolarHBondContact O-N 3.33Å; S539-S542 WeakPolarHBondContact CA-OG 3.47Å; S539-S542 PolarHBondContact O-N 3.24Å; S539-S542 PolarHBondContact O-OG 3.26Å; S539-S542 VanDerWaalsContact O-OG 3.07Å; S542-K546 VanDerWaalsContact O-CB 3.3Å; S542-K546 WeakPolarHBondContact O-CB 3.33Å; S542-K546 PolarHBondContact O-N 2.79Å
543	T	60.4	Low	61.7	Low	4 Å²	4	61.7 Å²	61.7	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-44.7	178.1	52.2	0	0	0	0	111.3	W487 A488 A508 S539 L540 G547	W487-T543 VanDerWaalsContact CH2-O 3.27Å; W487-T543 WeakPolarHBondContact CH2-O 3.38Å; W487-T543 VanDerWaalsContact CZ2-O 3.25Å; W487-T543 WeakPolarHBondContact CZ2-O 3.27Å; A488-T543 HydrophobicContact CB-CG2 4.44Å; A508-T543 HydrophobicContact CB-CG2 3.36Å; S539-T543 WeakPolarHBondContact O-CB 3.41Å; S539-T543 WeakPolarHBondContact O-CG2 3.17Å; S539-T543 PolarHBondContact O-N 2.9Å; S539-T543 PolarHBondContact O-OG1 2.58Å; L540-T543 PolarHBondContact O-OG1 3.47Å; T543-G547 PolarHBondContact O-N 3.26Å
544	G	58.2	Low	58.7	Low	3 Å²	3	63.9 Å²	63.9	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-55.4	-58.8	174.7	0	0	0	0	0	113.4	L540 C548 V561	L540-G544 PolarHBondContact O-N 2.7Å; G544-C548 PolarHBondContact O-N 3.49Å; G544-C548 PolarHBondContact O-SG 2.97Å; G544-V561 VanDerWaalsContact C-CG2 3.49Å; G544-V561 WeakPolarHBondContact O-CG2 3.17Å
545	R	60.5	Low	56.2	Low	176 Å²	176	70.2 Å²	70.2	66%	0.664	36%	0.361	S	S	*	.	H	α-helix	trans	-72.7	-46.3	-170.7	-167.7	175.9	-174.2	169.9	2.1	112.4	R541 C548 D549	R541-R545 WeakPolarHBondContact O-CB 3.29Å; R541-R545 PolarHBondContact O-N 2.86Å; R545-C548 PolarHBondContact O-N 2.87Å; R545-D549 PolarHBondContact O-N 3.31Å
546	K	56.8	Low	54	Low	78 Å²	78	70.4 Å²	70.4	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-73	-36.5	-172.8	-68.4	-177.5	169.6	-179.5	0	112.4	L501 D504 S542 C548 D549 Q550	L501-K546 HydrophobicContact CD1-CB 3.9Å; D504-K546 IonicContact OD1-NZ 3.16Å; D504-K546 PolarHBondContact OD1-NZ 3.21Å; D504-K546 WeakPolarHBondContact OD2-CD 3.36Å; D504-K546 WeakPolarHBondContact OD2-CE 3.36Å; D504-K546 IonicContact OD2-NZ 3.37Å; D504-K546 PolarHBondContact OD2-NZ 2.68Å; S542-K546 VanDerWaalsContact O-CB 3.3Å; S542-K546 WeakPolarHBondContact O-CB 3.33Å; S542-K546 PolarHBondContact O-N 2.79Å; K546-C548 VanDerWaalsContact C-N 3.28Å; K546-C548 PolarHBondContact O-N 2.82Å; K546-D549 PolarHBondContact O-N 2.77Å; K546-Q550 PolarHBondContact O-N 2.86Å
547	G	53.2	Low	52.1	Low	4 Å²	4	77.6 Å²	77.6	4%	0.041	41%	0.413	C	S	.	.	H	α-helix	trans	-65.3	-34.5	174.3	0	0	0	0	0	111.9	T543 Q550 C551	T543-G547 PolarHBondContact O-N 3.26Å; G547-Q550 PolarHBondContact O-N 2.76Å; G547-C551 PolarHBondContact O-N 3.34Å; G547-C551 VanDerWaalsContact O-N 3.11Å
548	C	51.9	Low	51.1	Low	34 Å²	34	78.6 Å²	78.6	23%	0.23	43%	0.427	C	S	.	.	H	α-helix	trans	-68.5	-40.1	171	-71.1	0	0	0	0	113.8	G544 R545 K546 Q550 C551	G544-C548 PolarHBondContact O-N 3.49Å; G544-C548 PolarHBondContact O-SG 2.97Å; R545-C548 PolarHBondContact O-N 2.87Å; K546-C548 VanDerWaalsContact C-N 3.28Å; K546-C548 PolarHBondContact O-N 2.82Å; C548-Q550 PolarHBondContact O-N 3.12Å; C548-Q550 VanDerWaalsContact O-N 3.12Å; C548-C551 WeakPolarHBondContact O-CB 3.48Å; C548-C551 PolarHBondContact O-N 3.14Å; C548-C551 VanDerWaalsContact O-N 3.13Å
549	D	50.6	Low	49.8	Very low	85 Å²	85	76.5 Å²	76.5	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-61.6	-21.3	178.1	-70.8	-20.1	0	0	0	112.3	R545 K546 R552	R545-D549 PolarHBondContact O-N 3.31Å; K546-D549 PolarHBondContact O-N 2.77Å; D549-R552 WeakPolarHBondContact O-CG 3.3Å
550	Q	49.6	Very low	48.6	Very low	64 Å²	64	78.6 Å²	78.6	30%	0.299	43%	0.43	S	S	.	.	H	α-helix	trans	-100.3	-11.6	178.2	-150.8	158	18.4	0	0	114.7	K546 G547 C548 R552	K546-Q550 PolarHBondContact O-N 2.86Å; G547-Q550 PolarHBondContact O-N 2.76Å; C548-Q550 PolarHBondContact O-N 3.12Å; C548-Q550 VanDerWaalsContact O-N 3.12Å; Q550-R552 PolarHBondContact O-N 3.12Å
551	C	48.2	Very low	48.2	Very low	28 Å²	28	79.7 Å²	79.7	19%	0.189	44%	0.437	C	S	.	.			trans	-65.9	44.2	160.4	-79.7	0	0	0	0	111.6	W491 G547 C548 I553	W491-C551 VanDerWaalsContact CH2-SG 3.5Å; W491-C551 HydrophobicContact CZ2-CB 4.1Å; W491-C551 WeakPolarHBondContact CZ2-SG 3.3Å; G547-C551 PolarHBondContact O-N 3.34Å; G547-C551 VanDerWaalsContact O-N 3.11Å; C548-C551 WeakPolarHBondContact O-CB 3.48Å; C548-C551 PolarHBondContact O-N 3.14Å; C548-C551 VanDerWaalsContact O-N 3.13Å; C551-I553 PolarHBondContact O-N 2.84Å
552	R	46.6	Very low	47.4	Very low	220 Å²	220	72.4 Å²	72.4	83%	0.83	41%	0.413	S	S	*	.			trans	-64.5	45.4	178.9	-74.5	-168.7	172.9	-172.9	-1.7	113.6	D549 Q550 G554	D549-R552 WeakPolarHBondContact O-CG 3.3Å; Q550-R552 PolarHBondContact O-N 3.12Å; R552-G554 PolarHBondContact O-N 2.95Å
553	I	39.2	Very low	46.8	Very low	128 Å²	128	74.4 Å²	74.4	66%	0.656	42%	0.42	S	S	*	.	S	Bend	trans	-73.8	75.8	154.4	-49.9	178.5	0	0	0	106	C551	C551-I553 PolarHBondContact O-N 2.84Å
554	G	30.3	Very low	46.1	Very low	52 Å²	52	78.4 Å²	78.4	54%	0.536	45%	0.445	S	S	.	.	S	Bend	trans	103.4	139.2	175.3	0	0	0	0	0	114.8	R552 A556	R552-G554 PolarHBondContact O-N 2.95Å; G554-A556 PolarHBondContact O-N 2.78Å
555	T	28.5	Very low	45.6	Very low	151 Å²	151	80.1 Å²	80.1	93%	0.926	46%	0.463	S	S	*	.			trans	-68.5	32.1	-174.1	45.6	0	0	0	0	115.3	V557	T555-V557 PolarHBondContact O-N 2.83Å
556	A	31.2	Very low	45.1	Very low	69 Å²	69	73.4 Å²	73.4	57%	0.57	44%	0.443	S	S	*	.			trans	-91.3	108	-176.8	0	0	0	0	0	111.4	G554 G558	G554-A556 PolarHBondContact O-N 2.78Å; A556-G558 PolarHBondContact O-N 3.34Å
557	V	30.9	Very low	44.9	Very low	154 Å²	154	70.9 Å²	70.9	93%	0.933	44%	0.435	S	S	*	.			trans	-65.6	116	170.7	-176.3	0	0	0	0	109	T555	T555-V557 PolarHBondContact O-N 2.83Å
558	G	41.2	Very low	44.7	Very low	58 Å²	58	79.2 Å²	79.2	60%	0.598	47%	0.47	S	S	*	.			trans	123.2	93.1	170.7	0	0	0	0	0	113.5	A556	A556-G558 PolarHBondContact O-N 3.34Å
559	S	43.8	Very low	44.7	Very low	46 Å²	46	78.4 Å²	78.4	32%	0.322	47%	0.465	S	S	.	.			trans	-105.8	126.4	176.4	-46.6	0	0	0	0	110.9
560	C	45.8	Very low	44.6	Very low	47 Å²	47	85.9 Å²	85.9	32%	0.318	49%	0.487	S	S	.	.			trans	-116.8	120.6	171.1	-57	0	0	0	0	107.7	L562 C571 F573	C560-L562 PolarHBondContact O-N 2.76Å; C560-C571 HydrophobicContact CB-CB 4.23Å; C560-C571 WeakPolarHBondContact CB-SG 3.37Å; C560-C571 WeakPolarHBondContact SG-CB 3.29Å; C560-C571 CovalentContact SG-SG 2.07Å; C560-C571 PolarHBondContact SG-SG 2.85Å; C560-F573 HydrophobicContact CB-CE1 3.8Å; C560-F573 HydrophobicContact CB-CZ 3.69Å
561	V	52.1	Low	44.6	Very low	51 Å²	51	84.5 Å²	84.5	31%	0.309	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-73.9	118.2	174.7	-179.2	0	0	0	0	108.5	G544	G544-V561 VanDerWaalsContact C-CG2 3.49Å; G544-V561 WeakPolarHBondContact O-CG2 3.17Å
562	L	50.6	Low	44.8	Very low	43 Å²	43	90.8 Å²	90.8	23%	0.225	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-90.1	118.2	169.3	-72	171.2	0	0	0	108.3	C560 S569 I592	C560-L562 PolarHBondContact O-N 2.76Å; L562-S569 WeakPolarHBondContact CD2-OG 3.12Å; L562-I592 HydrophobicContact CD1-CD1 4.14Å; L562-I592 HydrophobicContact CD1-CG1 3.87Å
563	H	52.7	Low	45.5	Very low	68 Å²	68	83 Å²	83	32%	0.315	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-75.6	143.9	166.2	-58.9	-76.5	0	0	0	109.5	H484 G565 S566	H484-H563 AromaticContact CE1-CE1 3.12Å; H484-H563 PolarHBondContact CE1-CE1 3.37Å; H484-H563 AromaticContact CE1-ND1 3.25Å; H484-H563 PolarHBondContact CE1-ND1 3.46Å; H484-H563 VanDerWaalsContact CE1-ND1 3.25Å; H484-H563 AromaticContact NE2-CE1 3.24Å; H484-H563 PolarHBondContact NE2-CE1 2.94Å; H484-H563 AromaticContact NE2-ND1 3.69Å; H563-G565 PolarHBondContact O-N 3.38Å; H563-G565 VanDerWaalsContact O-N 3.11Å; H563-S566 WeakPolarHBondContact O-CB 3.37Å; H563-S566 PolarHBondContact O-N 2.61Å
564	P	46.6	Very low	46.8	Very low	87 Å²	87	88.7 Å²	88.7	57%	0.565	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	121.4	169.1	-25.5	33.5	0	0	0	110.7	S566	P564-S566 VanDerWaalsContact C-N 3.34Å; P564-S566 PolarHBondContact O-N 2.86Å
565	G	48	Very low	49	Very low	40 Å²	40	90.5 Å²	90.5	41%	0.412	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-10.7	-176.8	0	0	0	0	0	116.7	H563 C567 R632	H563-G565 PolarHBondContact O-N 3.38Å; H563-G565 VanDerWaalsContact O-N 3.11Å; G565-C567 PolarHBondContact O-N 3.32Å; G565-R632 VanDerWaalsContact O-CZ 3.25Å; G565-R632 PolarHBondContact O-NH1 2.88Å; G565-R632 PolarHBondContact O-NH2 3.28Å
566	S	50	Low	51.3	Low	34 Å²	34	85.7 Å²	85.7	24%	0.238	47%	0.469	C	S	.	.			trans	-88.5	102.8	175.1	167.7	0	0	0	0	110.5	H563 P564 K568	H563-S566 WeakPolarHBondContact O-CB 3.37Å; H563-S566 PolarHBondContact O-N 2.61Å; P564-S566 VanDerWaalsContact C-N 3.34Å; P564-S566 PolarHBondContact O-N 2.86Å; S566-K568 PolarHBondContact O-N 2.96Å; S566-K568 PolarHBondContact OG-N 2.99Å
567	C	51.4	Low	53.4	Low	26 Å²	26	86.5 Å²	86.5	18%	0.176	47%	0.466	C	S	.	.			trans	-78.6	9.7	173.1	-46.3	0	0	0	0	113	G565 S569 C591 H593	G565-C567 PolarHBondContact O-N 3.32Å; C567-S569 PolarHBondContact O-N 3.23Å; C567-S569 VanDerWaalsContact O-N 3.13Å; C567-C591 HydrophobicContact CB-CB 4.22Å; C567-C591 WeakPolarHBondContact CB-SG 2.96Å; C567-C591 WeakPolarHBondContact SG-CB 3.39Å; C567-C591 CovalentContact SG-SG 2.05Å; C567-C591 PolarHBondContact SG-SG 3.37Å; C567-H593 WeakPolarHBondContact CB-CD2 3.03Å; C567-H593 WeakPolarHBondContact CB-NE2 3.33Å; C567-H593 WeakPolarHBondContact O-CB 3.29Å; C567-H593 PolarHBondContact O-CD2 2.81Å; C567-H593 PolarHBondContact O-CE1 2.8Å; C567-H593 PolarHBondContact O-ND1 2.93Å; C567-H593 PolarHBondContact O-NE2 2.92Å
568	K	50.4	Low	55.8	Low	178 Å²	178	84.9 Å²	84.9	77%	0.774	45%	0.447	S	S	*	.			trans	-72.3	-7	-160.2	-73.9	-171.5	177	-179.2	0	117.7	S566 R570	S566-K568 PolarHBondContact O-N 2.96Å; S566-K568 PolarHBondContact OG-N 2.99Å; K568-R570 PolarHBondContact O-N 3.07Å
569	S	50.7	Low	57.6	Low	18 Å²	18	86.7 Å²	86.7	13%	0.126	44%	0.437	C	S	.	.			trans	-84.6	114.7	-175.3	69.7	0	0	0	0	112.5	L562 C567 C571	L562-S569 WeakPolarHBondContact CD2-OG 3.12Å; C567-S569 PolarHBondContact O-N 3.23Å; C567-S569 VanDerWaalsContact O-N 3.13Å; S569-C571 VanDerWaalsContact C-N 3.31Å; S569-C571 PolarHBondContact O-N 2.77Å; S569-C571 VanDerWaalsContact O-N 3.15Å
570	R	48.4	Very low	59.6	Low	242 Å²	242	87.3 Å²	87.3	91%	0.913	44%	0.436	S	S	*	.			trans	-77.4	81.7	159.9	-77.6	-177.9	175.7	179.9	-1.5	108.5	K568	K568-R570 PolarHBondContact O-N 3.07Å
571	C	50	Low	61.5	Low	34 Å²	34	85.8 Å²	85.8	23%	0.23	43%	0.426	C	S	.	.			trans	-127.9	128.6	173.5	-50.7	0	0	0	0	107.9	C560 S569 F573	C560-C571 HydrophobicContact CB-CB 4.23Å; C560-C571 WeakPolarHBondContact CB-SG 3.37Å; C560-C571 WeakPolarHBondContact SG-CB 3.29Å; C560-C571 CovalentContact SG-SG 2.07Å; C560-C571 PolarHBondContact SG-SG 2.85Å; S569-C571 VanDerWaalsContact C-N 3.31Å; S569-C571 PolarHBondContact O-N 2.77Å; S569-C571 VanDerWaalsContact O-N 3.15Å; C571-F573 VanDerWaalsContact C-N 3.31Å; C571-F573 HydrophobicContact CB-CD1 3.89Å; C571-F573 HydrophobicContact CB-CD2 4.04Å; C571-F573 HydrophobicContact CB-CE1 3.4Å; C571-F573 VanDerWaalsContact CB-CE1 3.4Å; C571-F573 HydrophobicContact CB-CE2 3.58Å; C571-F573 HydrophobicContact CB-CG 4.22Å; C571-F573 HydrophobicContact CB-CZ 3.29Å; C571-F573 WeakPolarHBondContact O-CD2 3.46Å; C571-F573 PolarHBondContact O-N 3.02Å
572	I	52.9	Low	63.3	Low	161 Å²	161	85.3 Å²	85.3	83%	0.826	42%	0.421	S	S	*	.			trans	-79.4	87	175.2	-59.3	172.6	0	0	0	105.9
573	F	59.9	Low	65.2	Low	57 Å²	57	88.3 Å²	88.3	25%	0.25	44%	0.443	C	S	.	.			trans	-81.8	130.3	-175.7	-58	-75.2	0	0	0	111	C560 C571 L576 I592	C560-F573 HydrophobicContact CB-CE1 3.8Å; C560-F573 HydrophobicContact CB-CZ 3.69Å; C571-F573 VanDerWaalsContact C-N 3.31Å; C571-F573 HydrophobicContact CB-CD1 3.89Å; C571-F573 HydrophobicContact CB-CD2 4.04Å; C571-F573 HydrophobicContact CB-CE1 3.4Å; C571-F573 VanDerWaalsContact CB-CE1 3.4Å; C571-F573 HydrophobicContact CB-CE2 3.58Å; C571-F573 HydrophobicContact CB-CG 4.22Å; C571-F573 HydrophobicContact CB-CZ 3.29Å; C571-F573 WeakPolarHBondContact O-CD2 3.46Å; C571-F573 PolarHBondContact O-N 3.02Å; F573-L576 HydrophobicContact CB-CD2 3.65Å; F573-L576 HydrophobicContact CB-CG 4.21Å; F573-L576 HydrophobicContact CD1-CD2 4Å; F573-L576 HydrophobicContact CD2-CD2 3.68Å; F573-L576 HydrophobicContact CE1-CD2 4.46Å; F573-L576 HydrophobicContact CE2-CD2 4.17Å; F573-L576 HydrophobicContact CG-CD2 3.53Å; F573-L576 HydrophobicContact CZ-CD2 4.49Å; F573-I592 HydrophobicContact CD2-CG2 4Å; F573-I592 HydrophobicContact CE2-CG2 3.89Å
574	R	68.3	Low	67.1	Low	247 Å²	247	91.2 Å²	91.2	93%	0.932	45%	0.452	S	S	*	.	S	Bend	trans	-91	-26.9	161.5	-71.7	-172	177.2	-159.7	-0.1	112.4
575	T	75.6	Confident	69.2	Low	89 Å²	89	91 Å²	91	55%	0.546	47%	0.466	S	S	.	.			trans	-137.6	136	-177	-53	0	0	0	0	108.6
576	L	76.6	Confident	71.1	Confident	51 Å²	51	95.1 Å²	95.1	27%	0.267	47%	0.469	S	S	.	.			trans	-120.2	135	175.9	-63.5	167.6	0	0	0	108	F573 F578 I592 L601	F573-L576 HydrophobicContact CB-CD2 3.65Å; F573-L576 HydrophobicContact CB-CG 4.21Å; F573-L576 HydrophobicContact CD1-CD2 4Å; F573-L576 HydrophobicContact CD2-CD2 3.68Å; F573-L576 HydrophobicContact CE1-CD2 4.46Å; F573-L576 HydrophobicContact CE2-CD2 4.17Å; F573-L576 HydrophobicContact CG-CD2 3.53Å; F573-L576 HydrophobicContact CZ-CD2 4.49Å; L576-F578 HydrophobicContact CB-CE2 4Å; L576-F578 HydrophobicContact CB-CZ 4.1Å; L576-F578 HydrophobicContact CD1-CZ 4.4Å; L576-I592 HydrophobicContact CD1-CD1 3.28Å; L576-I592 HydrophobicContact CD2-CD1 3.81Å; L576-I592 HydrophobicContact CG-CD1 4.17Å; L576-L601 HydrophobicContact CD1-CD1 3.97Å
577	V	76.5	Confident	72.9	Confident	86 Å²	86	99.5 Å²	99.5	52%	0.521	50%	0.5	S	S	.	.			trans	-121.4	128.6	176.2	-178.2	0	0	0	0	107.9
578	F	79.9	Confident	74.4	Confident	120 Å²	120	103.1 Å²	103.1	53%	0.526	52%	0.518	S	S	.	.			trans	-110.4	130.3	177.2	-61.4	-71.8	0	0	0	109.1	L576 V590	L576-F578 HydrophobicContact CB-CE2 4Å; L576-F578 HydrophobicContact CB-CZ 4.1Å; L576-F578 HydrophobicContact CD1-CZ 4.4Å; F578-V590 HydrophobicContact CD1-CG2 4.13Å; F578-V590 HydrophobicContact CE1-CB 4.07Å; F578-V590 HydrophobicContact CE1-CG1 3.6Å; F578-V590 HydrophobicContact CE1-CG2 3.72Å; F578-V590 HydrophobicContact CZ-CB 4.34Å; F578-V590 HydrophobicContact CZ-CG1 4.08Å; F578-V590 HydrophobicContact CZ-CG2 4.24Å
579	Y	79.7	Confident	75.8	Confident	96 Å²	96	101.1 Å²	101.1	38%	0.376	52%	0.52	S	S	.	.			trans	-110.7	130.7	174.1	-177.5	-103.3	0	0	0	109.6	W487 Q490 W491	W487-Y579 HydrophobicContact CB-CD1 3.94Å; W487-Y579 HydrophobicContact CB-CE1 3.62Å; Q490-Y579 WeakPolarHBondContact CB-OH 3.25Å; Q490-Y579 PolarHBondContact OE1-OH 3.26Å; W491-Y579 HydrophobicContact CE3-CD2 4.2Å; W491-Y579 AromaticContact CE3-CE2 3.94Å; W491-Y579 HydrophobicContact CE3-CE2 3.94Å; W491-Y579 HydrophobicContact CZ3-CD2 4.22Å; W491-Y579 HydrophobicContact CZ3-CE2 4.17Å
580	N	86.5	Confident	77.2	Confident	59 Å²	59	103.7 Å²	103.7	32%	0.316	54%	0.535	S	S	.	.			trans	-109	108.4	174.7	-179.8	25	0	0	0	108.6	L582 Y584	N580-L582 PolarHBondContact ND2-O 3.07Å; N580-L582 PolarHBondContact O-N 3.23Å; N580-L582 WeakPolarHBondContact OD1-CB 3.46Å; N580-L582 PolarHBondContact OD1-N 2.97Å; N580-Y584 PolarHBondContact ND2-O 2.79Å
581	S	85	Confident	78.5	Confident	14 Å²	14	95 Å²	95	10%	0.098	51%	0.51	C	S	.	.			trans	-78.9	4.1	179.9	64.2	0	0	0	0	113.9	R486 Q490	R486-S581 PolarHBondContact NH2-O 3.4Å; Q490-S581 PolarHBondContact NE2-O 3.45Å
582	L	89.5	Confident	79.7	Confident	41 Å²	41	95.8 Å²	95.8	22%	0.215	51%	0.512	C	S	.	.	S	Bend	trans	-100.9	144.4	-178.5	-56.9	165.1	0	0	0	109.5	N580 Y584	N580-L582 PolarHBondContact ND2-O 3.07Å; N580-L582 PolarHBondContact O-N 3.23Å; N580-L582 WeakPolarHBondContact OD1-CB 3.46Å; N580-L582 PolarHBondContact OD1-N 2.97Å; L582-Y584 HydrophobicContact CB-CD1 4.26Å; L582-Y584 HydrophobicContact CB-CD2 4.47Å; L582-Y584 HydrophobicContact CB-CE1 3.99Å; L582-Y584 HydrophobicContact CB-CE2 4.19Å; L582-Y584 HydrophobicContact CD1-CE1 4.5Å; L582-Y584 HydrophobicContact CD1-CE2 3.91Å; L582-Y584 HydrophobicContact CD2-CE1 4.5Å; L582-Y584 PolarHBondContact O-N 3.22Å; L582-Y584 VanDerWaalsContact O-N 3.12Å
583	P	90.4	Very high	80.7	Confident	106 Å²	106	90.8 Å²	90.8	69%	0.688	49%	0.485	S	S	*	.	S	Bend	trans	-76.6	6.5	-175.3	32.5	-36.3	0	0	0	114.2
584	Y	91.8	Very high	81.4	Confident	129 Å²	129	91.5 Å²	91.5	51%	0.506	49%	0.494	S	S	.	.	S	Bend	trans	-124	154	-179.6	53.1	-100.5	0	0	0	111.9	N580 L582 R586	N580-Y584 PolarHBondContact ND2-O 2.79Å; L582-Y584 HydrophobicContact CB-CD1 4.26Å; L582-Y584 HydrophobicContact CB-CD2 4.47Å; L582-Y584 HydrophobicContact CB-CE1 3.99Å; L582-Y584 HydrophobicContact CB-CE2 4.19Å; L582-Y584 HydrophobicContact CD1-CE1 4.5Å; L582-Y584 HydrophobicContact CD1-CE2 3.91Å; L582-Y584 HydrophobicContact CD2-CE1 4.5Å; L582-Y584 PolarHBondContact O-N 3.22Å; L582-Y584 VanDerWaalsContact O-N 3.12Å; Y584-R586 PolarHBondContact O-N 2.99Å
585	G	91.9	Very high	81.9	Confident	83 Å²	83	85.2 Å²	85.2	86%	0.856	48%	0.479	S	S	*	.			trans	-60	130.7	175.8	0	0	0	0	0	111.5
586	R	88.3	Confident	82.2	Confident	127 Å²	127	87 Å²	87	48%	0.479	48%	0.479	S	S	.	.			trans	-125.9	131.2	-179.5	-179.1	175.7	174.2	170.2	2.6	110.4	Y584 D588	Y584-R586 PolarHBondContact O-N 2.99Å; R586-D588 IonicContact CZ-OD2 3.95Å; R586-D588 IonicContact NE-OD2 2.88Å; R586-D588 PolarHBondContact NE-OD2 2.77Å; R586-D588 IonicContact NH2-OD2 2.82Å; R586-D588 PolarHBondContact NH2-OD2 3.17Å
587	S	87.7	Confident	82.5	Confident	125 Å²	125	89.7 Å²	89.7	87%	0.874	50%	0.502	S	S	*	.			trans	-112	133	165.5	-62.1	0	0	0	0	108.1
588	D	81.5	Confident	82.9	Confident	103 Å²	103	88.8 Å²	88.8	55%	0.551	51%	0.51	S	S	*	.			trans	-150.3	156.6	-178	-152.2	-22	0	0	0	110.4	R586	R586-D588 IonicContact CZ-OD2 3.95Å; R586-D588 IonicContact NE-OD2 2.88Å; R586-D588 PolarHBondContact NE-OD2 2.77Å; R586-D588 IonicContact NH2-OD2 2.82Å; R586-D588 PolarHBondContact NH2-OD2 3.17Å
589	V	81.3	Confident	83.1	Confident	136 Å²	136	86 Å²	86	82%	0.824	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-84.6	116.8	174.9	179.9	0	0	0	0	108.9
590	V	78.4	Confident	83.5	Confident	72 Å²	72	89.3 Å²	89.3	44%	0.436	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-99.9	129	175.3	-176.8	0	0	0	0	110	F578 I592	F578-V590 HydrophobicContact CD1-CG2 4.13Å; F578-V590 HydrophobicContact CE1-CB 4.07Å; F578-V590 HydrophobicContact CE1-CG1 3.6Å; F578-V590 HydrophobicContact CE1-CG2 3.72Å; F578-V590 HydrophobicContact CZ-CB 4.34Å; F578-V590 HydrophobicContact CZ-CG1 4.08Å; F578-V590 HydrophobicContact CZ-CG2 4.24Å; V590-I592 HydrophobicContact CG1-CD1 4.41Å; V590-I592 HydrophobicContact CG1-CG1 4.07Å
591	C	76.3	Confident	83.5	Confident	58 Å²	58	89.4 Å²	89.4	39%	0.392	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-98.4	130.8	173.5	176.8	0	0	0	0	111.5	C567	C567-C591 HydrophobicContact CB-CB 4.22Å; C567-C591 WeakPolarHBondContact CB-SG 2.96Å; C567-C591 WeakPolarHBondContact SG-CB 3.39Å; C567-C591 CovalentContact SG-SG 2.05Å; C567-C591 PolarHBondContact SG-SG 3.37Å
592	I	74.6	Confident	83.8	Confident	52 Å²	52	94.1 Å²	94.1	27%	0.267	54%	0.538	S	S	.	.			trans	-131.8	131.4	178.2	-53.1	179.8	0	0	0	108.9	L562 F573 L576 V590	L562-I592 HydrophobicContact CD1-CD1 4.14Å; L562-I592 HydrophobicContact CD1-CG1 3.87Å; F573-I592 HydrophobicContact CD2-CG2 4Å; F573-I592 HydrophobicContact CE2-CG2 3.89Å; L576-I592 HydrophobicContact CD1-CD1 3.28Å; L576-I592 HydrophobicContact CD2-CD1 3.81Å; L576-I592 HydrophobicContact CG-CD1 4.17Å; V590-I592 HydrophobicContact CG1-CD1 4.41Å; V590-I592 HydrophobicContact CG1-CG1 4.07Å
593	H	74.8	Confident	83.8	Confident	55 Å²	55	94.2 Å²	94.2	26%	0.255	54%	0.539	S	S	.	.			trans	-75.1	133	172.1	-79.3	179.1	0	0	0	111.2	C567 Y616	C567-H593 WeakPolarHBondContact CB-CD2 3.03Å; C567-H593 WeakPolarHBondContact CB-NE2 3.33Å; C567-H593 WeakPolarHBondContact O-CB 3.29Å; C567-H593 PolarHBondContact O-CD2 2.81Å; C567-H593 PolarHBondContact O-CE1 2.8Å; C567-H593 PolarHBondContact O-ND1 2.93Å; C567-H593 PolarHBondContact O-NE2 2.92Å; H593-Y616 AromaticContact CE1-CD2 3.44Å; H593-Y616 VanDerWaalsContact CE1-CD2 3.44Å; H593-Y616 WeakPolarHBondContact CE1-CD2 3.12Å; H593-Y616 AromaticContact CE1-CE2 3.47Å; H593-Y616 VanDerWaalsContact CE1-CE2 3.47Å; H593-Y616 WeakPolarHBondContact CE1-CE2 3.4Å; H593-Y616 AromaticContact NE2-CD2 3.33Å; H593-Y616 VanDerWaalsContact NE2-CD2 3.33Å; H593-Y616 WeakPolarHBondContact NE2-CD2 3.49Å; H593-Y616 AromaticContact NE2-CE2 3.7Å
594	T	75	Confident	83.6	Confident	73 Å²	73	93.9 Å²	93.9	45%	0.448	55%	0.545	S	S	.	.			trans	-133.7	146.7	174.9	173.3	0	0	0	0	109.6	K596 V599	T594-K596 VanDerWaalsContact C-N 3.32Å; T594-K596 VanDerWaalsContact CG2-O 3.24Å; T594-K596 WeakPolarHBondContact CG2-O 3.28Å; T594-K596 PolarHBondContact OG1-N 3.14Å; T594-K596 PolarHBondContact OG1-O 2.94Å; T594-V599 HydrophobicContact CG2-CG2 3.92Å; T594-V599 VanDerWaalsContact OG1-CG2 3.31Å; T594-V599 WeakPolarHBondContact OG1-CG2 3.49Å
595	D	79.3	Confident	83.7	Confident	115 Å²	115	93.9 Å²	93.9	62%	0.615	55%	0.55	S	S	*	.	S	Bend	trans	-87.4	-3.8	170.7	71.6	-39.7	0	0	0	112.3
596	K	81.7	Confident	83.6	Confident	125 Å²	125	94.5 Å²	94.5	54%	0.543	54%	0.541	S	S	.	.			trans	-109.6	137.3	179	-53.1	-52.1	-175.8	-140.3	0	111.2	T594 V599	T594-K596 VanDerWaalsContact C-N 3.32Å; T594-K596 VanDerWaalsContact CG2-O 3.24Å; T594-K596 WeakPolarHBondContact CG2-O 3.28Å; T594-K596 PolarHBondContact OG1-N 3.14Å; T594-K596 PolarHBondContact OG1-O 2.94Å; K596-V599 HydrophobicContact CB-CG2 4.05Å; K596-V599 WeakPolarHBondContact O-CG2 3.46Å
597	S	82.8	Confident	83.9	Confident	108 Å²	108	95.6 Å²	95.6	76%	0.755	55%	0.545	S	S	*	.	S	Bend	trans	-86.1	-9.7	173.3	54	0	0	0	0	114.2	I613	S597-I613 WeakPolarHBondContact O-CD1 3.21Å
598	G	83.9	Confident	84.2	Confident	67 Å²	67	94.8 Å²	94.8	69%	0.691	54%	0.537	S	S	*	.			trans	-107.7	35.8	-176.3	0	0	0	0	0	114.2
599	V	84.4	Confident	84.6	Confident	61 Å²	61	92.8 Å²	92.8	37%	0.37	53%	0.528	S	S	.	.			trans	-74.6	135.7	-177.7	-179.3	0	0	0	0	110.4	T594 K596	T594-V599 HydrophobicContact CG2-CG2 3.92Å; T594-V599 VanDerWaalsContact OG1-CG2 3.31Å; T594-V599 WeakPolarHBondContact OG1-CG2 3.49Å; K596-V599 HydrophobicContact CB-CG2 4.05Å; K596-V599 WeakPolarHBondContact O-CG2 3.46Å
600	K	87.6	Confident	85.1	Confident	167 Å²	167	95.6 Å²	95.6	73%	0.726	53%	0.532	S	S	*	.			trans	-118.3	137.8	168.6	-64.3	-176.4	-179.8	-177.7	0	108.5	F602	K600-F602 HydrophobicContact CB-CE2 3.8Å; K600-F602 HydrophobicContact CB-CZ 4.27Å; K600-F602 HydrophobicContact CD-CZ 4.44Å
601	L	87.7	Confident	85.6	Confident	60 Å²	60	95.5 Å²	95.5	31%	0.314	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.9	176.1	-173.7	64.4	0	0	0	109.1	L576 V609 V611	L576-L601 HydrophobicContact CD1-CD1 3.97Å; L601-V609 HydrophobicContact CB-CB 4.15Å; L601-V609 HydrophobicContact CD2-CB 4Å; L601-V609 HydrophobicContact CD2-CG1 3.97Å; L601-V609 HydrophobicContact CD2-CG2 4.46Å; L601-V609 HydrophobicContact CG-CB 4.03Å; L601-V609 HydrophobicContact CG-CG2 4.31Å; L601-V609 PolarHBondContact O-N 3.03Å; L601-V611 HydrophobicContact CB-CG1 3.74Å; L601-V611 HydrophobicContact CD2-CG1 4.42Å
602	F	90.1	Very high	86.2	Confident	114 Å²	114	100.9 Å²	100.9	50%	0.5	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.2	144.5	174.6	-61	-91.6	0	0	0	108.6	K600 R607 P608	K600-F602 HydrophobicContact CB-CE2 3.8Å; K600-F602 HydrophobicContact CB-CZ 4.27Å; K600-F602 HydrophobicContact CD-CZ 4.44Å; F602-R607 CarbonylContact C-O 3.59Å; F602-R607 VanDerWaalsContact CA-O 3.25Å; F602-R607 WeakPolarHBondContact CA-O 3.17Å; F602-P608 HydrophobicContact CD1-CB 4.4Å; F602-P608 HydrophobicContact CE1-CB 4.27Å
603	D	90.2	Very high	86.8	Confident	43 Å²	43	102.6 Å²	102.6	23%	0.23	56%	0.56	C	S	.	*			trans	-77.8	-179.6	171.3	71.5	10.5	0	0	0	111.8	Q605 S606 R607 V609	D603-Q605 PolarHBondContact O-N 2.98Å; D603-Q605 VanDerWaalsContact O-N 3.12Å; D603-Q605 VanDerWaalsContact OD1-C 3.28Å; D603-Q605 WeakPolarHBondContact OD1-CA 3.45Å; D603-Q605 PolarHBondContact OD1-N 3.46Å; D603-S606 PolarHBondContact O-N 3.35Å; D603-S606 PolarHBondContact OD1-N 2.85Å; D603-S606 VanDerWaalsContact OD1-N 3.14Å; D603-R607 PolarHBondContact N-O 2.76Å; D603-R607 WeakPolarHBondContact OD1-CB 3.37Å; D603-R607 PolarHBondContact OD1-N 3.03Å; D603-R607 IonicContact OD1-NE 2.72Å; D603-R607 IonicContact OD2-CZ 2.81Å; D603-R607 IonicContact OD2-NE 3.81Å; D603-R607 PolarHBondContact OD2-NE 3.01Å; D603-R607 IonicContact OD2-NH2 3.71Å; D603-R607 PolarHBondContact OD2-NH2 3.33Å; D603-V609 HydrophobicContact CB-CG2 4.08Å
604	A	87.3	Confident	87.2	Confident	99 Å²	99	103.6 Å²	103.6	82%	0.818	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-17.5	180	0	0	0	0	0	113.8
605	Q	92.2	Very high	87.6	Confident	128 Å²	128	105.1 Å²	105.1	60%	0.598	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	13.9	176	-66.3	75.7	32.8	0	0	112.2	D603 R607	D603-Q605 PolarHBondContact O-N 2.98Å; D603-Q605 VanDerWaalsContact O-N 3.12Å; D603-Q605 VanDerWaalsContact OD1-C 3.28Å; D603-Q605 WeakPolarHBondContact OD1-CA 3.45Å; D603-Q605 PolarHBondContact OD1-N 3.46Å; Q605-R607 HydrophobicContact CB-CG 4.25Å; Q605-R607 PolarHBondContact O-N 3.01Å
606	S	90.9	Very high	87.3	Confident	96 Å²	96	107.4 Å²	107.4	67%	0.671	59%	0.586	S	S	*	*	S	Bend	trans	60.8	22.3	-177.8	-55	0	0	0	0	114.4	D603	D603-S606 PolarHBondContact O-N 3.35Å; D603-S606 PolarHBondContact OD1-N 2.85Å; D603-S606 VanDerWaalsContact OD1-N 3.14Å
607	R	94.1	Very high	86.9	Confident	150 Å²	150	105.4 Å²	105.4	57%	0.566	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-84.2	137	173.4	-56.2	176.9	-63.7	-177.1	1.9	108.7	F602 D603 Q605 V609	F602-R607 CarbonylContact C-O 3.59Å; F602-R607 VanDerWaalsContact CA-O 3.25Å; F602-R607 WeakPolarHBondContact CA-O 3.17Å; D603-R607 PolarHBondContact N-O 2.76Å; D603-R607 WeakPolarHBondContact OD1-CB 3.37Å; D603-R607 PolarHBondContact OD1-N 3.03Å; D603-R607 IonicContact OD1-NE 2.72Å; D603-R607 IonicContact OD2-CZ 2.81Å; D603-R607 IonicContact OD2-NE 3.81Å; D603-R607 PolarHBondContact OD2-NE 3.01Å; D603-R607 IonicContact OD2-NH2 3.71Å; D603-R607 PolarHBondContact OD2-NH2 3.33Å; Q605-R607 HydrophobicContact CB-CG 4.25Å; Q605-R607 PolarHBondContact O-N 3.01Å; R607-V609 PolarHBondContact O-N 3.05Å
608	P	93.4	Very high	86	Confident	108 Å²	108	109 Å²	109	70%	0.701	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.4	134.6	177.9	26.9	-33.4	0	0	0	110.4	F602	F602-P608 HydrophobicContact CD1-CB 4.4Å; F602-P608 HydrophobicContact CE1-CB 4.27Å
609	V	91.4	Very high	84.7	Confident	62 Å²	62	117.1 Å²	117.1	38%	0.376	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.8	134.7	172.7	-178.3	0	0	0	0	108.1	L601 D603 R607 V611	L601-V609 HydrophobicContact CB-CB 4.15Å; L601-V609 HydrophobicContact CD2-CB 4Å; L601-V609 HydrophobicContact CD2-CG1 3.97Å; L601-V609 HydrophobicContact CD2-CG2 4.46Å; L601-V609 HydrophobicContact CG-CB 4.03Å; L601-V609 HydrophobicContact CG-CG2 4.31Å; L601-V609 PolarHBondContact O-N 3.03Å; D603-V609 HydrophobicContact CB-CG2 4.08Å; R607-V609 PolarHBondContact O-N 3.05Å; V609-V611 PolarHBondContact O-N 3.49Å
610	E	91.9	Very high	83.3	Confident	194 Å²	194	118.8 Å²	118.8	91%	0.907	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-63.2	134.9	177	-171.6	175.2	-175.4	0	0	110.6
611	V	89	Confident	81.6	Confident	70 Å²	70	116.1 Å²	116.1	42%	0.424	61%	0.612	S	S	.	*			trans	-132.8	136.6	-178.4	-65.3	0	0	0	0	110.7	L601 V609	L601-V611 HydrophobicContact CB-CG1 3.74Å; L601-V611 HydrophobicContact CD2-CG1 4.42Å; V609-V611 PolarHBondContact O-N 3.49Å
612	Q	88.4	Confident	79.7	Confident	171 Å²	171	120.1 Å²	120.1	80%	0.799	63%	0.634	S	S	*	*			trans	-106.2	127.1	167.2	-179.8	177.9	-39.9	0	0	109.1	S614	Q612-S614 PolarHBondContact NE2-OG 2.99Å
613	I	86.2	Confident	77.9	Confident	88 Å²	88	118 Å²	118	45%	0.451	64%	0.644	S	S	.	*			trans	-102.2	124.7	174.4	-59.7	177.4	0	0	0	108	S597	S597-I613 WeakPolarHBondContact O-CD1 3.21Å
614	S	83.7	Confident	75.9	Confident	76 Å²	76	122 Å²	122	53%	0.531	67%	0.671	S	S	.	*			trans	-127	146.1	178.8	-64.1	0	0	0	0	110	Q612	Q612-S614 PolarHBondContact NE2-OG 2.99Å
615	P	82.7	Confident	74.1	Confident	106 Å²	106	123.4 Å²	123.4	69%	0.688	67%	0.674	S	S	*	*			trans	-63.6	148.9	176.7	26.7	-33.3	0	0	0	110.6	V617	P615-V617 HydrophobicContact CB-CG2 4.42Å; P615-V617 HydrophobicContact CG-CG2 4.05Å; P615-V617 PolarHBondContact O-N 3.2Å; P615-V617 VanDerWaalsContact O-N 3.09Å
616	Y	74.7	Confident	72.4	Confident	162 Å²	162	120.1 Å²	120.1	64%	0.635	68%	0.675	S	S	*	*			trans	-71.5	103.5	168.6	177.9	-100	0	0	0	109.3	H593 K618	H593-Y616 AromaticContact CE1-CD2 3.44Å; H593-Y616 VanDerWaalsContact CE1-CD2 3.44Å; H593-Y616 WeakPolarHBondContact CE1-CD2 3.12Å; H593-Y616 AromaticContact CE1-CE2 3.47Å; H593-Y616 VanDerWaalsContact CE1-CE2 3.47Å; H593-Y616 WeakPolarHBondContact CE1-CE2 3.4Å; H593-Y616 AromaticContact NE2-CD2 3.33Å; H593-Y616 VanDerWaalsContact NE2-CD2 3.33Å; H593-Y616 WeakPolarHBondContact NE2-CD2 3.49Å; H593-Y616 AromaticContact NE2-CE2 3.7Å; Y616-K618 HydrophobicContact CE1-CG 3.76Å
617	V	72.8	Confident	71.2	Confident	84 Å²	84	125.9 Å²	125.9	51%	0.509	69%	0.691	S	S	.	*			trans	-101.5	121.9	177.8	-169.7	0	0	0	0	109.2	P615 R619	P615-V617 HydrophobicContact CB-CG2 4.42Å; P615-V617 HydrophobicContact CG-CG2 4.05Å; P615-V617 PolarHBondContact O-N 3.2Å; P615-V617 VanDerWaalsContact O-N 3.09Å; V617-R619 VanDerWaalsContact C-N 3.31Å; V617-R619 WeakPolarHBondContact CG1-O 3.45Å; V617-R619 PolarHBondContact O-N 3.35Å
618	K	63	Low	70.3	Confident	184 Å²	184	123.6 Å²	123.6	80%	0.8	70%	0.698	S	S	*	*	S	Bend	trans	-67.1	-28.5	-179.7	-78.3	-175.2	178.3	180	0	113.6	Y616	Y616-K618 HydrophobicContact CE1-CG 3.76Å
619	R	58	Low	69.8	Low	236 Å²	236	124 Å²	124	89%	0.891	69%	0.693	S	S	*	*			trans	-147.3	119.7	176.7	-67.7	-176.4	178.6	175	-1.8	108.5	V617	V617-R619 VanDerWaalsContact C-N 3.31Å; V617-R619 WeakPolarHBondContact CG1-O 3.45Å; V617-R619 PolarHBondContact O-N 3.35Å
620	S	55.2	Low	69.3	Low	96 Å²	96	126.7 Å²	126.7	67%	0.671	72%	0.715	S	S	*	*			trans	-126.1	136	172.2	-177.9	0	0	0	0	108.3
621	S	50.7	Low	69	Low	111 Å²	111	121.5 Å²	121.5	78%	0.776	69%	0.692	S	S	*	*			trans	-108.5	-9.9	-178.8	56.6	0	0	0	0	113.9
622	N	47.8	Very low	68.8	Low	144 Å²	144	126.1 Å²	126.1	77%	0.77	70%	0.702	S	S	*	*			trans	-134.2	116.9	-169	-70.9	-12.9	0	0	0	111.8
623	G	51.4	Low	68.8	Low	69 Å²	69	122.7 Å²	122.7	71%	0.711	69%	0.689	S	S	*	*			trans	-168	89.4	170.9	0	0	0	0	0	110.3
624	T	49.7	Very low	68.9	Low	129 Å²	129	125 Å²	125	79%	0.791	71%	0.707	S	S	*	*			trans	-111.9	91.9	177.9	49.6	0	0	0	0	109
625	S	48.7	Very low	69	Low	128 Å²	128	125.7 Å²	125.7	90%	0.895	71%	0.708	S	S	*	*			trans	-162	87.8	167.9	-174.7	0	0	0	0	109.1
626	G	57.1	Low	69.2	Low	59 Å²	59	126 Å²	126	61%	0.608	70%	0.704	S	S	*	*	S	Bend	trans	177.1	153.4	177.9	0	0	0	0	0	110.7	S628	G626-S628 PolarHBondContact O-N 3.45Å
627	Q	65.6	Low	69.8	Low	216 Å²	216	121.9 Å²	121.9	100%	1.009	69%	0.693	S	S	*	*	S	Bend	trans	-64.3	-17.3	173.4	-67.8	-179.6	-0.7	0	0	112.3
628	S	75.9	Confident	70.3	Confident	102 Å²	102	123.5 Å²	123.5	71%	0.713	70%	0.703	S	S	*	*	S	Bend	trans	-136	150.7	174.2	61.3	0	0	0	0	110.4	G626	G626-S628 PolarHBondContact O-N 3.45Å
629	I	81.6	Confident	71.2	Confident	118 Å²	118	123.4 Å²	123.4	61%	0.605	71%	0.705	S	S	*	*			trans	-105.2	124.8	175.4	-59	174.2	0	0	0	109	I631	I629-I631 HydrophobicContact CG2-CG1 4.02Å
630	S	81.2	Confident	72.1	Confident	117 Å²	117	113.9 Å²	113.9	82%	0.818	68%	0.675	S	S	*	*			trans	-89	118.1	170.6	-171	0	0	0	0	109.9
631	I	85.4	Confident	73	Confident	86 Å²	86	117.3 Å²	117.3	44%	0.441	69%	0.686	S	S	.	*			trans	-105.3	130.4	179.4	-57.1	174.7	0	0	0	109	I629 N633 M648	I629-I631 HydrophobicContact CG2-CG1 4.02Å; I631-N633 WeakPolarHBondContact CG2-OD1 3.41Å; I631-M648 HydrophobicContact CD1-SD 4.43Å; I631-M648 HydrophobicContact CG2-SD 4.15Å
632	R	85.9	Confident	74.4	Confident	166 Å²	166	119.2 Å²	119.2	63%	0.626	68%	0.683	S	S	*	*			trans	-124.9	108.9	171.6	179.5	179.3	-64.1	169.8	5.4	110.2	G565	G565-R632 VanDerWaalsContact O-CZ 3.25Å; G565-R632 PolarHBondContact O-NH1 2.88Å; G565-R632 PolarHBondContact O-NH2 3.28Å
633	N	88.4	Confident	76.3	Confident	100 Å²	100	120.8 Å²	120.8	54%	0.535	69%	0.691	S	S	.	*			trans	-90.7	123.8	173.3	-63.5	-17.9	0	0	0	109.6	I631 V635 M648	I631-N633 WeakPolarHBondContact CG2-OD1 3.41Å; N633-V635 HydrophobicContact CB-CG2 4.18Å; N633-M648 PolarHBondContact ND2-SD 2.93Å; N633-M648 VanDerWaalsContact ND2-SD 3.38Å
634	T	87.4	Confident	77.9	Confident	135 Å²	135	122.1 Å²	122.1	83%	0.828	68%	0.675	S	S	*	*			trans	-99.6	103.6	167.1	-57.5	0	0	0	0	106.9
635	V	86.5	Confident	79.9	Confident	91 Å²	91	123.7 Å²	123.7	55%	0.552	67%	0.674	S	S	*	*			trans	-103.5	125.3	-177.2	-177	0	0	0	0	108.4	N633 L637 I646	N633-V635 HydrophobicContact CB-CG2 4.18Å; V635-L637 HydrophobicContact CG1-CD2 3.61Å; V635-L637 HydrophobicContact CG1-CG 3.93Å; V635-I646 HydrophobicContact CG1-CD1 4.31Å
636	D	87.5	Confident	82	Confident	113 Å²	113	122.9 Å²	122.9	60%	0.604	66%	0.658	S	S	*	*			trans	-130.8	114	175.9	-171.1	-6.1	0	0	0	108.4	T638	D636-T638 WeakPolarHBondContact OD1-CG2 3.25Å; D636-T638 PolarHBondContact OD1-N 3.23Å; D636-T638 VanDerWaalsContact OD1-N 3.08Å; D636-T638 PolarHBondContact OD1-OG1 2.78Å
637	L	86.5	Confident	83.8	Confident	76 Å²	76	124.8 Å²	124.8	40%	0.398	66%	0.658	S	S	.	*			trans	-110.3	9.2	-178	-50.6	-170	0	0	0	111.9	V635 E639 S640 Y644 I646	V635-L637 HydrophobicContact CG1-CD2 3.61Å; V635-L637 HydrophobicContact CG1-CG 3.93Å; L637-E639 PolarHBondContact O-N 2.87Å; L637-S640 WeakPolarHBondContact O-CB 3.32Å; L637-S640 PolarHBondContact O-N 3.25Å; L637-S640 VanDerWaalsContact O-N 3.13Å; L637-Y644 HydrophobicContact CD1-CE2 4Å; L637-Y644 HydrophobicContact CD2-CE2 3.61Å; L637-Y644 HydrophobicContact CG-CE2 4.31Å; L637-I646 HydrophobicContact CD2-CD1 3.49Å; L637-I646 VanDerWaalsContact CD2-CD1 3.49Å; L637-I646 HydrophobicContact CD2-CG1 4.27Å
638	T	83.7	Confident	85.2	Confident	118 Å²	118	118.3 Å²	118.3	72%	0.724	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-24.7	-171	57.9	0	0	0	0	113.9	D636	D636-T638 WeakPolarHBondContact OD1-CG2 3.25Å; D636-T638 PolarHBondContact OD1-N 3.23Å; D636-T638 VanDerWaalsContact OD1-N 3.08Å; D636-T638 PolarHBondContact OD1-OG1 2.78Å
639	E	81.2	Confident	86.1	Confident	181 Å²	181	121.6 Å²	121.6	85%	0.846	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	2.7	179.1	-63	-175.7	175.2	0	0	112.9	L637	L637-E639 PolarHBondContact O-N 2.87Å
640	S	76.7	Confident	86.7	Confident	36 Å²	36	119.5 Å²	119.5	25%	0.252	62%	0.615	S	S	.	*			trans	-75.9	127.8	176.3	-171.9	0	0	0	0	111.9	L637 E642 Y644	L637-S640 WeakPolarHBondContact O-CB 3.32Å; L637-S640 PolarHBondContact O-N 3.25Å; L637-S640 VanDerWaalsContact O-N 3.13Å; S640-E642 PolarHBondContact OG-N 3.14Å; S640-E642 VanDerWaalsContact OG-N 3.1Å; S640-E642 PolarHBondContact OG-O 2.98Å; S640-Y644 VanDerWaalsContact CB-OH 3.22Å; S640-Y644 WeakPolarHBondContact CB-OH 3.16Å; S640-Y644 WeakPolarHBondContact OG-CE1 3.38Å; S640-Y644 VanDerWaalsContact OG-CZ 3.31Å; S640-Y644 PolarHBondContact OG-OH 3.12Å
641	N	74	Confident	87.3	Confident	169 Å²	169	120.6 Å²	120.6	90%	0.904	61%	0.611	S	S	*	*			trans	-103.6	6.8	164.2	-65.9	-30.5	0	0	0	112.2
642	E	79.6	Confident	87.7	Confident	151 Å²	151	118.4 Å²	118.4	71%	0.706	60%	0.603	S	S	*	*	S	Bend	trans	-106	143.7	-179.1	-67.7	-176.7	178.8	0	0	111.2	S640 Y644	S640-E642 PolarHBondContact OG-N 3.14Å; S640-E642 VanDerWaalsContact OG-N 3.1Å; S640-E642 PolarHBondContact OG-O 2.98Å; E642-Y644 HydrophobicContact CB-CD1 3.81Å; E642-Y644 HydrophobicContact CB-CE1 4.22Å; E642-Y644 WeakPolarHBondContact O-CD1 3.42Å; E642-Y644 PolarHBondContact O-N 2.89Å
643	D	88.2	Confident	88	Confident	177 Å²	177	117.1 Å²	117.1	95%	0.947	61%	0.609	S	S	*	*			trans	-80.2	91	175.9	-66.9	-29.8	0	0	0	110
644	Y	85.7	Confident	88.4	Confident	96 Å²	96	112.8 Å²	112.8	38%	0.376	59%	0.585	S	S	.	*			trans	-133.9	156.4	176.6	62.3	-109.1	0	0	0	113.8	L637 S640 E642 I646	L637-Y644 HydrophobicContact CD1-CE2 4Å; L637-Y644 HydrophobicContact CD2-CE2 3.61Å; L637-Y644 HydrophobicContact CG-CE2 4.31Å; S640-Y644 VanDerWaalsContact CB-OH 3.22Å; S640-Y644 WeakPolarHBondContact CB-OH 3.16Å; S640-Y644 WeakPolarHBondContact OG-CE1 3.38Å; S640-Y644 VanDerWaalsContact OG-CZ 3.31Å; S640-Y644 PolarHBondContact OG-OH 3.12Å; E642-Y644 HydrophobicContact CB-CD1 3.81Å; E642-Y644 HydrophobicContact CB-CE1 4.22Å; E642-Y644 WeakPolarHBondContact O-CD1 3.42Å; E642-Y644 PolarHBondContact O-N 2.89Å; Y644-I646 HydrophobicContact CD2-CD1 4.38Å; Y644-I646 HydrophobicContact CD2-CG1 3.74Å; Y644-I646 HydrophobicContact CE2-CD1 3.81Å; Y644-I646 HydrophobicContact CE2-CG1 3.67Å
645	E	91.6	Very high	88.7	Confident	163 Å²	163	111.8 Å²	111.8	76%	0.762	58%	0.575	S	S	*	*			trans	-115.1	129.4	166.8	-64.5	-169.5	-140.6	0	0	109.4
646	I	92.8	Very high	89	Confident	111 Å²	111	107.6 Å²	107.6	57%	0.569	55%	0.549	S	S	*	.			trans	-91.2	128.5	179.1	-58.4	-168.5	0	0	0	110	V635 L637 Y644	V635-I646 HydrophobicContact CG1-CD1 4.31Å; L637-I646 HydrophobicContact CD2-CD1 3.49Å; L637-I646 VanDerWaalsContact CD2-CD1 3.49Å; L637-I646 HydrophobicContact CD2-CG1 4.27Å; Y644-I646 HydrophobicContact CD2-CD1 4.38Å; Y644-I646 HydrophobicContact CD2-CG1 3.74Å; Y644-I646 HydrophobicContact CE2-CD1 3.81Å; Y644-I646 HydrophobicContact CE2-CG1 3.67Å
647	V	94.3	Very high	88.7	Confident	98 Å²	98	105.2 Å²	105.2	59%	0.594	55%	0.545	S	S	*	.			trans	-114.3	138.6	174.9	66.9	0	0	0	0	111.5
648	M	95.2	Very high	88.7	Confident	81 Å²	81	108.6 Å²	108.6	40%	0.399	56%	0.557	S	S	.	*			trans	-94	120.4	164	-177.9	179.6	75	0	0	108.2	I631 N633 L703	I631-M648 HydrophobicContact CD1-SD 4.43Å; I631-M648 HydrophobicContact CG2-SD 4.15Å; N633-M648 PolarHBondContact ND2-SD 2.93Å; N633-M648 VanDerWaalsContact ND2-SD 3.38Å; M648-L703 HydrophobicContact CE-CD1 4.11Å; M648-L703 HydrophobicContact CE-CD2 4.16Å
649	R	95.5	Very high	89.1	Confident	171 Å²	171	105.9 Å²	105.9	65%	0.645	54%	0.536	S	S	*	.			trans	-110	128.4	178.1	-173.3	175.3	-64.4	161	0.8	110.1	L651	R649-L651 HydrophobicContact CG-CD2 4.04Å; R649-L651 HydrophobicContact CG-CG 4.39Å
650	L	94	Very high	89.8	Confident	74 Å²	74	99.2 Å²	99.2	39%	0.387	51%	0.505	S	S	.	.			trans	-97.7	139.6	167.1	-58.9	176.7	0	0	0	107.6	L701	L650-L701 HydrophobicContact CB-CD2 4.32Å; L650-L701 HydrophobicContact CD1-CD2 4.33Å
651	L	93.7	Very high	90.8	Very high	139 Å²	139	97.7 Å²	97.7	73%	0.728	49%	0.494	S	S	*	.			trans	-124.3	129.9	176.3	-62.9	174.5	0	0	0	107.6	R649	R649-L651 HydrophobicContact CG-CD2 4.04Å; R649-L651 HydrophobicContact CG-CG 4.39Å
652	S	92.8	Very high	91.9	Very high	40 Å²	40	91.2 Å²	91.2	28%	0.28	46%	0.457	S	S	.	.			trans	-134.6	172.5	-179.9	75.1	0	0	0	0	111.2	I654 I694 G717	S652-I654 WeakPolarHBondContact OG-CB 3.5Å; S652-I654 PolarHBondContact OG-N 2.96Å; S652-I694 WeakPolarHBondContact OG-CD1 3.45Å; S652-G717 WeakPolarHBondContact CA-O 3Å; S652-G717 WeakPolarHBondContact CB-O 3.17Å; S652-G717 PolarHBondContact N-O 3.23Å; S652-G717 WeakPolarHBondContact OG-CA 3.47Å; S652-G717 PolarHBondContact OG-O 3.09Å
653	N	93.4	Very high	92.8	Very high	140 Å²	140	84 Å²	84	75%	0.749	42%	0.424	S	S	*	.			trans	-99	14.9	171.3	68.2	-49.4	0	0	0	112.4	D655	N653-D655 PolarHBondContact O-N 3Å
654	I	95.5	Very high	93.3	Very high	9 Å²	9	75.7 Å²	75.7	5%	0.046	38%	0.379	C	S	.	.			trans	-69.2	123.3	174.6	-65.2	178.3	0	0	0	107.4	S652 N656 I694 E695 D696 L699 L701 G717	S652-I654 WeakPolarHBondContact OG-CB 3.5Å; S652-I654 PolarHBondContact OG-N 2.96Å; I654-N656 HydrophobicContact CG2-CB 4.48Å; I654-N656 PolarHBondContact O-N 2.92Å; I654-I694 HydrophobicContact CB-CD1 4.27Å; I654-I694 HydrophobicContact CD1-CD1 4.43Å; I654-I694 HydrophobicContact CD1-CG1 4.25Å; I654-I694 HydrophobicContact CG2-CD1 4.49Å; I654-E695 VanDerWaalsContact CG2-C 3.45Å; I654-D696 HydrophobicContact CG2-CB 3.92Å; I654-L699 HydrophobicContact CD1-CB 4.15Å; I654-L699 HydrophobicContact CG1-CB 4.01Å; I654-L701 HydrophobicContact CD1-CB 3.56Å; I654-G717 VanDerWaalsContact O-CA 3.24Å; I654-G717 WeakPolarHBondContact O-CA 3.16Å; I654-G717 PolarHBondContact O-N 3.14Å
655	D	94.4	Very high	93.9	Very high	113 Å²	113	71.1 Å²	71.1	60%	0.604	36%	0.362	S	S	*	.			trans	-91.9	78	176.7	-172.5	23.2	0	0	0	109.9	N653 A657 D696 S716	N653-D655 PolarHBondContact O-N 3Å; D655-A657 PolarHBondContact O-N 3.08Å; D655-D696 PolarHBondContact N-OD2 3.16Å; D655-D696 WeakPolarHBondContact O-CB 3.33Å; D655-S716 PolarHBondContact OD1-OG 3.2Å
656	N	92.4	Very high	94.2	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.016	33%	0.325	C	S	.	.			trans	-70.7	100.3	177.6	59.1	-56.9	0	0	0	109.7	I654 K658 Q659 E660 I694 E695 S713 S716 G717	I654-N656 HydrophobicContact CG2-CB 4.48Å; I654-N656 PolarHBondContact O-N 2.92Å; N656-K658 PolarHBondContact O-N 3.48Å; N656-Q659 WeakPolarHBondContact O-CA 3.22Å; N656-Q659 PolarHBondContact O-N 3.49Å; N656-E660 WeakPolarHBondContact CB-O 3.47Å; N656-E660 PolarHBondContact ND2-O 2.72Å; N656-I694 HydrophobicContact CB-CB 4.29Å; N656-E695 WeakPolarHBondContact CA-O 3.49Å; N656-E695 WeakPolarHBondContact CB-O 3.24Å; N656-S713 PolarHBondContact ND2-OG 3.39Å; N656-S716 PolarHBondContact N-OG 3.1Å; N656-S716 VanDerWaalsContact OD1-CA 3.31Å; N656-S716 WeakPolarHBondContact OD1-CA 3.44Å; N656-S716 PolarHBondContact OD1-OG 3.42Å; N656-G717 PolarHBondContact OD1-N 3.42Å
657	A	82.2	Confident	94.4	Very high	63 Å²	63	59.1 Å²	59.1	52%	0.521	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-47.4	132.2	-174.9	0	0	0	0	0	111.6	D655 Q659 E660	D655-A657 PolarHBondContact O-N 3.08Å; A657-Q659 PolarHBondContact O-N 3.41Å; A657-Q659 VanDerWaalsContact O-N 3.14Å; A657-E660 WeakPolarHBondContact O-CB 3.09Å; A657-E660 WeakPolarHBondContact O-CG 3.33Å; A657-E660 PolarHBondContact O-N 2.74Å
658	K	85	Confident	94.5	Very high	148 Å²	148	55.2 Å²	55.2	64%	0.643	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	57.2	23.1	-179.3	-52.9	176.1	-177.9	170.6	0	114.7	N656 E660	N656-K658 PolarHBondContact O-N 3.48Å; K658-E660 HydrophobicContact CB-CG 4.36Å; K658-E660 PolarHBondContact O-N 3.13Å
659	Q	92.7	Very high	94.4	Very high	60 Å²	60	51.8 Å²	51.8	28%	0.28	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	56.5	38.6	-176.5	-57.8	175	55.8	0	0	111.7	N656 A657 Y675 L714	N656-Q659 WeakPolarHBondContact O-CA 3.22Å; N656-Q659 PolarHBondContact O-N 3.49Å; A657-Q659 PolarHBondContact O-N 3.41Å; A657-Q659 VanDerWaalsContact O-N 3.14Å; Q659-Y675 PolarHBondContact O-N 2.8Å; Q659-L714 PolarHBondContact OE1-O 3.1Å
660	E	95.4	Very high	94.5	Very high	42 Å²	42	46.4 Å²	46.4	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.7	172.7	-71.6	177.3	-165.3	0	0	110	N656 A657 K658 K672 R673 K674	N656-E660 WeakPolarHBondContact CB-O 3.47Å; N656-E660 PolarHBondContact ND2-O 2.72Å; A657-E660 WeakPolarHBondContact O-CB 3.09Å; A657-E660 WeakPolarHBondContact O-CG 3.33Å; A657-E660 PolarHBondContact O-N 2.74Å; K658-E660 HydrophobicContact CB-CG 4.36Å; K658-E660 PolarHBondContact O-N 3.13Å; E660-K672 WeakPolarHBondContact OE2-CE 3.44Å; E660-K672 IonicContact OE2-NZ 2.81Å; E660-K672 PolarHBondContact OE2-NZ 2.96Å; E660-R673 WeakPolarHBondContact CA-O 3.49Å; E660-K674 HydrophobicContact CG-CG 4.46Å
661	F	97.5	Very high	94.6	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	171.5	173.6	70	-79	0	0	0	108.8	R673 Y686 I694 V711	F661-R673 HydrophobicContact CD1-CB 3.73Å; F661-R673 HydrophobicContact CD2-CB 3.97Å; F661-R673 HydrophobicContact CD2-CG 4.24Å; F661-R673 HydrophobicContact CE1-CB 3.39Å; F661-R673 HydrophobicContact CE1-CG 4.38Å; F661-R673 HydrophobicContact CE2-CB 3.64Å; F661-R673 HydrophobicContact CE2-CG 3.76Å; F661-R673 HydrophobicContact CG-CB 4.01Å; F661-R673 HydrophobicContact CZ-CB 3.35Å; F661-R673 HydrophobicContact CZ-CG 3.86Å; F661-R673 PolarHBondContact N-O 2.72Å; F661-R673 CarbonylContact O-C 3.52Å; F661-R673 WeakPolarHBondContact O-CA 3.24Å; F661-R673 WeakPolarHBondContact O-CB 3.47Å; F661-R673 PolarHBondContact O-N 3.15Å; F661-R673 VanDerWaalsContact O-O 3.08Å; F661-Y686 HydrophobicContact CE2-CD2 4.37Å; F661-Y686 AromaticContact CZ-CD2 3.63Å; F661-Y686 HydrophobicContact CZ-CD2 3.63Å; F661-Y686 AromaticContact CZ-CE2 4Å; F661-Y686 HydrophobicContact CZ-CE2 4Å; F661-I694 HydrophobicContact CB-CG2 3.62Å; F661-V711 HydrophobicContact CE2-CG1 4.15Å
662	F	97.9	Very high	94.7	Very high	32 Å²	32	40.7 Å²	40.7	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.8	-179.4	-62.8	-104.3	0	0	0	109.3	M670 V671 K672 A692 F693 E695	F662-M670 HydrophobicContact CB-CE 3.96Å; F662-V671 WeakPolarHBondContact CA-O 3.49Å; F662-K672 HydrophobicContact CD1-CB 4.01Å; F662-K672 HydrophobicContact CE1-CB 3.69Å; F662-K672 HydrophobicContact CE1-CG 4.15Å; F662-K672 HydrophobicContact CZ-CB 4.32Å; F662-K672 HydrophobicContact CZ-CG 4.28Å; F662-A692 CarbonylContact O-C 3.59Å; F662-A692 WeakPolarHBondContact O-CA 3.42Å; F662-A692 VanDerWaalsContact O-CB 3.29Å; F662-A692 WeakPolarHBondContact O-CB 3.09Å; F662-F693 HydrophobicContact CB-CD1 3.78Å; F662-F693 HydrophobicContact CB-CD2 4.09Å; F662-F693 HydrophobicContact CB-CE1 3.44Å; F662-F693 VanDerWaalsContact CB-CE1 3.44Å; F662-F693 HydrophobicContact CB-CE2 3.78Å; F662-F693 HydrophobicContact CB-CG 4.08Å; F662-F693 HydrophobicContact CB-CZ 3.43Å; F662-F693 VanDerWaalsContact CB-CZ 3.43Å; F662-F693 HydrophobicContact CD1-CE1 4.37Å; F662-F693 HydrophobicContact CD1-CE2 4.19Å; F662-F693 AromaticContact CD1-CZ 3.71Å; F662-F693 HydrophobicContact CD1-CZ 3.71Å; F662-F693 AromaticContact CD2-CD2 3.68Å; F662-F693 HydrophobicContact CD2-CD2 3.68Å; F662-F693 HydrophobicContact CD2-CE1 4.34Å; F662-F693 AromaticContact CD2-CE2 3.08Å; F662-F693 HydrophobicContact CD2-CE2 3.08Å; F662-F693 HydrophobicContact CD2-CG 4.5Å; F662-F693 AromaticContact CD2-CZ 3.47Å; F662-F693 HydrophobicContact CD2-CZ 3.47Å; F662-F693 VanDerWaalsContact CD2-CZ 3.47Å; F662-F693 HydrophobicContact CE1-CZ 4.25Å; F662-F693 HydrophobicContact CE2-CD2 4.41Å; F662-F693 AromaticContact CE2-CE2 3.57Å; F662-F693 HydrophobicContact CE2-CE2 3.57Å; F662-F693 HydrophobicContact CE2-CZ 4.06Å; F662-F693 HydrophobicContact CG-CD1 4.48Å; F662-F693 HydrophobicContact CG-CD2 4.13Å; F662-F693 AromaticContact CG-CE1 3.84Å; F662-F693 HydrophobicContact CG-CE1 3.84Å; F662-F693 AromaticContact CG-CE2 3.44Å; F662-F693 HydrophobicContact CG-CE2 3.44Å; F662-F693 VanDerWaalsContact CG-CE2 3.44Å; F662-F693 AromaticContact CG-CZ 3.25Å; F662-F693 HydrophobicContact CG-CZ 3.25Å; F662-F693 HydrophobicContact CZ-CE2 4.28Å; F662-F693 HydrophobicContact CZ-CZ 4.4Å; F662-F693 PolarHBondContact N-O 3.13Å; F662-F693 PolarHBondContact O-N 3.39Å; F662-E695 HydrophobicContact CE2-CG 4.32Å
663	S	98.2	Very high	94.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.9	171.8	76.8	0	0	0	0	108.9	M670 V671 R673 P687	S663-M670 VanDerWaalsContact C-CE 3.4Å; S663-V671 PolarHBondContact N-O 3.16Å; S663-V671 VanDerWaalsContact O-CG1 3.26Å; S663-V671 WeakPolarHBondContact O-CG1 3.49Å; S663-V671 PolarHBondContact O-N 3.27Å; S663-R673 PolarHBondContact OG-NE 3Å; S663-R673 VanDerWaalsContact OG-NE 3.11Å; S663-P687 PolarHBondContact OG-O 3.46Å
664	D	98.2	Very high	95	Very high	2 Å²	2	34 Å²	34	1%	0.011	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	158.2	175.9	77.5	-60.5	0	0	0	112.1	G667 Q669 M670 P689 S690 A691	D664-G667 WeakPolarHBondContact OD2-CA 3.22Å; D664-G667 PolarHBondContact OD2-N 3.25Å; D664-Q669 CarbonylContact C-O 3.57Å; D664-Q669 VanDerWaalsContact CA-O 3.29Å; D664-Q669 WeakPolarHBondContact CA-O 3.28Å; D664-M670 HydrophobicContact CB-CE 4.27Å; D664-M670 HydrophobicContact CB-SD 3.54Å; D664-M670 VanDerWaalsContact CB-SD 3.54Å; D664-P689 WeakPolarHBondContact O-CD 3.39Å; D664-P689 WeakPolarHBondContact OD1-CD 3.45Å; D664-P689 VanDerWaalsContact OD1-N 3.12Å; D664-P689 VanDerWaalsContact OD2-CG 3.26Å; D664-P689 WeakPolarHBondContact OD2-CG 3.49Å; D664-S690 VanDerWaalsContact CG-N 3.29Å; D664-S690 PolarHBondContact OD1-N 2.95Å; D664-S690 WeakPolarHBondContact OD2-CB 3.4Å; D664-S690 PolarHBondContact OD2-N 3.23Å; D664-S690 PolarHBondContact OD2-OG 3.33Å; D664-A691 HydrophobicContact CB-CB 4.4Å; D664-A691 PolarHBondContact N-O 3.35Å; D664-A691 PolarHBondContact OD1-N 3.06Å
665	L	98.3	Very high	95.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.4	166.8	-69.8	167.5	0	0	0	107.8	P258 D452 F454 G667 F668 Q669 V671	P258-L665 HydrophobicContact CG-CD1 3.81Å; D452-L665 HydrophobicContact CB-CD1 4.12Å; D452-L665 HydrophobicContact CB-CD2 4.31Å; F454-L665 HydrophobicContact CD2-CD2 3.99Å; F454-L665 HydrophobicContact CE2-CD2 4.1Å; L665-G667 PolarHBondContact O-N 2.98Å; L665-G667 VanDerWaalsContact O-N 3.11Å; L665-F668 PolarHBondContact O-N 2.87Å; L665-Q669 HydrophobicContact CB-CG 3.76Å; L665-Q669 HydrophobicContact CD1-CG 4.05Å; L665-Q669 HydrophobicContact CG-CG 4.43Å; L665-Q669 PolarHBondContact N-O 3.27Å; L665-Q669 PolarHBondContact O-N 3.3Å; L665-V671 HydrophobicContact CD1-CB 4.07Å; L665-V671 HydrophobicContact CD1-CG1 3.75Å; L665-V671 HydrophobicContact CD2-CG1 4.42Å; L665-V671 HydrophobicContact CG-CG1 3.74Å
666	N	98.4	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	23.5	177.7	-46.9	98.8	0	0	0	115.7	E218 S221 H222 Y223 M226 S257 T259 F668	E218-N666 PolarHBondContact O-ND2 2.82Å; E218-N666 PolarHBondContact O-OD1 3.3Å; S221-N666 VanDerWaalsContact O-CA 3.3Å; S221-N666 WeakPolarHBondContact O-CA 3.13Å; S221-N666 VanDerWaalsContact O-CB 3.26Å; S221-N666 WeakPolarHBondContact O-CB 3.35Å; S221-N666 PolarHBondContact O-ND2 2.61Å; H222-N666 CarbonylContact C-O 3.6Å; Y223-N666 PolarHBondContact N-O 3.03Å; M226-N666 HydrophobicContact SD-CB 3.64Å; M226-N666 VanDerWaalsContact SD-CG 3.53Å; S257-N666 WeakPolarHBondContact CB-OD1 3.31Å; S257-N666 PolarHBondContact OG-OD1 3.38Å; T259-N666 VanDerWaalsContact CB-OD1 3.27Å; T259-N666 WeakPolarHBondContact CB-OD1 3.41Å; T259-N666 HydrophobicContact CG2-CB 3.96Å; T259-N666 PolarHBondContact OG1-OD1 3.19Å; N666-F668 PolarHBondContact O-N 2.97Å
667	G	97.1	Very high	95.3	Very high	21 Å²	21	35 Å²	35	22%	0.216	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	17.3	-173	0	0	0	0	0	114.5	Y223 D664 L665 S690	Y223-G667 VanDerWaalsContact CD1-O 3.27Å; Y223-G667 WeakPolarHBondContact CD1-O 3.35Å; Y223-G667 WeakPolarHBondContact CE1-O 3.31Å; D664-G667 WeakPolarHBondContact OD2-CA 3.22Å; D664-G667 PolarHBondContact OD2-N 3.25Å; L665-G667 PolarHBondContact O-N 2.98Å; L665-G667 VanDerWaalsContact O-N 3.11Å; G667-S690 WeakPolarHBondContact CA-OG 3.29Å
668	F	96.2	Very high	95.9	Very high	17 Å²	17	36.1 Å²	36.1	8%	0.075	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-39.7	-175.5	-177.8	-124.2	0	0	0	113.2	I27 Y223 T259 H262 F263 W299 L665 N666	I27-F668 HydrophobicContact CG2-CE2 4.18Å; Y223-F668 HydrophobicContact CD1-CB 4.5Å; Y223-F668 HydrophobicContact CG-CB 4.5Å; T259-F668 HydrophobicContact CG2-CB 4.02Å; T259-F668 HydrophobicContact CG2-CD1 3.83Å; T259-F668 HydrophobicContact CG2-CG 4.18Å; H262-F668 AromaticContact CD2-CE1 3.51Å; H262-F668 AromaticContact CD2-CZ 3.59Å; H262-F668 AromaticContact NE2-CZ 3.87Å; F263-F668 HydrophobicContact CE1-CD1 4.3Å; F263-F668 HydrophobicContact CE1-CD2 4.34Å; F263-F668 AromaticContact CE1-CE1 3.99Å; F263-F668 HydrophobicContact CE1-CE1 3.99Å; F263-F668 HydrophobicContact CE1-CE2 4.09Å; F263-F668 HydrophobicContact CE1-CG 4.46Å; F263-F668 AromaticContact CE1-CZ 3.91Å; F263-F668 HydrophobicContact CE1-CZ 3.91Å; F263-F668 HydrophobicContact CZ-CD1 4.06Å; F263-F668 HydrophobicContact CZ-CD2 4.02Å; F263-F668 HydrophobicContact CZ-CE1 4.23Å; F263-F668 HydrophobicContact CZ-CE2 4.24Å; F263-F668 AromaticContact CZ-CG 3.95Å; F263-F668 HydrophobicContact CZ-CG 3.95Å; F263-F668 HydrophobicContact CZ-CZ 4.34Å; W299-F668 HydrophobicContact CH2-CD1 4.14Å; W299-F668 AromaticContact CH2-CE1 3.5Å; W299-F668 HydrophobicContact CH2-CE1 3.5Å; W299-F668 VanDerWaalsContact CH2-CE1 3.5Å; W299-F668 HydrophobicContact CH2-CZ 4.17Å; W299-F668 HydrophobicContact CZ2-CE1 4.03Å; W299-F668 HydrophobicContact CZ2-CZ 4.33Å; L665-F668 PolarHBondContact O-N 2.87Å; N666-F668 PolarHBondContact O-N 2.97Å
669	Q	94.2	Very high	96.4	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.9	-176.7	65.2	-176.3	-74.5	0	0	111.4	T259 W299 D664 L665	T259-Q669 PolarHBondContact OG1-NE2 2.95Å; W299-Q669 HydrophobicContact CE3-CB 4.33Å; W299-Q669 HydrophobicContact CH2-CB 4.35Å; W299-Q669 HydrophobicContact CZ3-CB 3.55Å; W299-Q669 VanDerWaalsContact CZ3-CD 3.41Å; W299-Q669 HydrophobicContact CZ3-CG 4.07Å; W299-Q669 VanDerWaalsContact CZ3-OE1 3.3Å; D664-Q669 CarbonylContact C-O 3.57Å; D664-Q669 VanDerWaalsContact CA-O 3.29Å; D664-Q669 WeakPolarHBondContact CA-O 3.28Å; L665-Q669 HydrophobicContact CB-CG 3.76Å; L665-Q669 HydrophobicContact CD1-CG 4.05Å; L665-Q669 HydrophobicContact CG-CG 4.43Å; L665-Q669 PolarHBondContact N-O 3.27Å; L665-Q669 PolarHBondContact O-N 3.3Å
670	M	96.4	Very high	96.6	Very high	58 Å²	58	28.2 Å²	28.2	29%	0.286	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.1	171.2	-63.2	-55.3	-57.4	0	0	110.5	F662 S663 D664 A691 F693	F662-M670 HydrophobicContact CB-CE 3.96Å; S663-M670 VanDerWaalsContact C-CE 3.4Å; D664-M670 HydrophobicContact CB-CE 4.27Å; D664-M670 HydrophobicContact CB-SD 3.54Å; D664-M670 VanDerWaalsContact CB-SD 3.54Å; M670-A691 HydrophobicContact SD-CB 4.34Å; M670-F693 HydrophobicContact CB-CE1 4.45Å; M670-F693 HydrophobicContact CE-CD1 3.75Å; M670-F693 HydrophobicContact CE-CE1 3.69Å; M670-F693 HydrophobicContact CG-CE1 4.2Å
671	V	96.1	Very high	96.7	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.8	176.7	56.9	0	0	0	0	111	L298 F662 S663 L665 R673	L298-V671 HydrophobicContact CD1-CB 3.86Å; L298-V671 HydrophobicContact CD1-CG2 3.59Å; F662-V671 WeakPolarHBondContact CA-O 3.49Å; S663-V671 PolarHBondContact N-O 3.16Å; S663-V671 VanDerWaalsContact O-CG1 3.26Å; S663-V671 WeakPolarHBondContact O-CG1 3.49Å; S663-V671 PolarHBondContact O-N 3.27Å; L665-V671 HydrophobicContact CD1-CB 4.07Å; L665-V671 HydrophobicContact CD1-CG1 3.75Å; L665-V671 HydrophobicContact CD2-CG1 4.42Å; L665-V671 HydrophobicContact CG-CG1 3.74Å; V671-R673 VanDerWaalsContact CG1-NH2 3.32Å
672	K	96.6	Very high	96.7	Very high	85 Å²	85	34 Å²	34	37%	0.37	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130	173.5	-177.7	176	-72.7	-154	0	110.3	L93 E660 F662	L93-K672 HydrophobicContact CD2-CB 4.22Å; L93-K672 HydrophobicContact CD2-CD 3.97Å; L93-K672 HydrophobicContact CD2-CG 3.9Å; E660-K672 WeakPolarHBondContact OE2-CE 3.44Å; E660-K672 IonicContact OE2-NZ 2.81Å; E660-K672 PolarHBondContact OE2-NZ 2.96Å; F662-K672 HydrophobicContact CD1-CB 4.01Å; F662-K672 HydrophobicContact CE1-CB 3.69Å; F662-K672 HydrophobicContact CE1-CG 4.15Å; F662-K672 HydrophobicContact CZ-CB 4.32Å; F662-K672 HydrophobicContact CZ-CG 4.28Å
673	R	97.1	Very high	96.6	Very high	8 Å²	8	32.6 Å²	32.6	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	162.1	174.3	-52.9	-58.1	-170.6	179.9	1.1	109.5	D452 E660 F661 S663 V671 Y686	D452-R673 IonicContact OD1-CZ 3.37Å; D452-R673 IonicContact OD1-NH1 3.26Å; D452-R673 PolarHBondContact OD1-NH1 3.2Å; D452-R673 IonicContact OD1-NH2 2.68Å; D452-R673 IonicContact OD2-CZ 2.77Å; D452-R673 IonicContact OD2-NH1 3.44Å; D452-R673 PolarHBondContact OD2-NH1 3.05Å; D452-R673 IonicContact OD2-NH2 2.82Å; D452-R673 PolarHBondContact OD2-NH2 3.46Å; E660-R673 WeakPolarHBondContact CA-O 3.49Å; F661-R673 HydrophobicContact CD1-CB 3.73Å; F661-R673 HydrophobicContact CD2-CB 3.97Å; F661-R673 HydrophobicContact CD2-CG 4.24Å; F661-R673 HydrophobicContact CE1-CB 3.39Å; F661-R673 HydrophobicContact CE1-CG 4.38Å; F661-R673 HydrophobicContact CE2-CB 3.64Å; F661-R673 HydrophobicContact CE2-CG 3.76Å; F661-R673 HydrophobicContact CG-CB 4.01Å; F661-R673 HydrophobicContact CZ-CB 3.35Å; F661-R673 HydrophobicContact CZ-CG 3.86Å; F661-R673 PolarHBondContact N-O 2.72Å; F661-R673 CarbonylContact O-C 3.52Å; F661-R673 WeakPolarHBondContact O-CA 3.24Å; F661-R673 WeakPolarHBondContact O-CB 3.47Å; F661-R673 PolarHBondContact O-N 3.15Å; F661-R673 VanDerWaalsContact O-O 3.08Å; S663-R673 PolarHBondContact OG-NE 3Å; S663-R673 VanDerWaalsContact OG-NE 3.11Å; V671-R673 VanDerWaalsContact CG1-NH2 3.32Å; R673-Y686 HydrophobicContact CB-CE2 4.38Å; R673-Y686 HydrophobicContact CG-CD1 4.47Å; R673-Y686 HydrophobicContact CG-CD2 4.34Å; R673-Y686 HydrophobicContact CG-CG 4.26Å
674	K	95.6	Very high	96.6	Very high	32 Å²	32	32.7 Å²	32.7	14%	0.139	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.5	178.8	-178.6	172.1	173.2	176.5	0	110	L93 E97 E660 F676	L93-K674 HydrophobicContact CD1-CB 4.18Å; E97-K674 WeakPolarHBondContact OE1-CD 3.46Å; E97-K674 IonicContact OE1-NZ 2.78Å; E97-K674 PolarHBondContact OE1-NZ 3.22Å; E660-K674 HydrophobicContact CG-CG 4.46Å; K674-F676 HydrophobicContact CB-CE2 4.15Å; K674-F676 HydrophobicContact CB-CZ 4.13Å; K674-F676 HydrophobicContact CD-CE1 4.36Å; K674-F676 HydrophobicContact CD-CZ 4.35Å; K674-F676 HydrophobicContact CG-CZ 4.4Å; K674-F676 WeakPolarHBondContact O-CD2 3.31Å; K674-F676 WeakPolarHBondContact O-CE2 3.39Å
675	Y	96.8	Very high	96.6	Very high	71 Å²	71	34.9 Å²	34.9	28%	0.278	19%	0.186	S	C	.	.			trans	-69.1	131.5	170.1	178.3	-98.8	0	0	0	111.2	Q659 N684 L714	Q659-Y675 PolarHBondContact O-N 2.8Å; Y675-N684 HydrophobicContact CD2-CB 4.02Å; Y675-N684 WeakPolarHBondContact CD2-OD1 3.39Å; Y675-N684 HydrophobicContact CE2-CB 4.27Å; Y675-L714 HydrophobicContact CD2-CD2 4.22Å; Y675-L714 HydrophobicContact CE2-CD2 4.11Å
676	F	96.3	Very high	96.7	Very high	12 Å²	12	35 Å²	35	5%	0.053	19%	0.187	C	C	.	.			trans	-118	103.5	176.9	-68.6	-72.5	0	0	0	110.1	L93 Y96 E97 K674 K678 L679 N684	L93-F676 HydrophobicContact CD1-CE2 4.29Å; L93-F676 HydrophobicContact CD1-CZ 4.11Å; Y96-F676 HydrophobicContact CD1-CD2 4.34Å; Y96-F676 HydrophobicContact CD1-CE2 4.01Å; Y96-F676 HydrophobicContact CG-CE2 4.46Å; E97-F676 HydrophobicContact CB-CE1 4.44Å; E97-F676 HydrophobicContact CG-CE1 3.93Å; E97-F676 HydrophobicContact CG-CZ 4.09Å; K674-F676 HydrophobicContact CB-CE2 4.15Å; K674-F676 HydrophobicContact CB-CZ 4.13Å; K674-F676 HydrophobicContact CD-CE1 4.36Å; K674-F676 HydrophobicContact CD-CZ 4.35Å; K674-F676 HydrophobicContact CG-CZ 4.4Å; K674-F676 WeakPolarHBondContact O-CD2 3.31Å; K674-F676 WeakPolarHBondContact O-CE2 3.39Å; F676-K678 HydrophobicContact CB-CG 4.17Å; F676-K678 PolarHBondContact O-N 3.22Å; F676-K678 VanDerWaalsContact O-N 3.07Å; F676-L679 HydrophobicContact CB-CB 4.29Å; F676-L679 HydrophobicContact CB-CD1 3.88Å; F676-L679 HydrophobicContact CB-CG 3.77Å; F676-L679 HydrophobicContact CD2-CD1 4.19Å; F676-L679 HydrophobicContact CG-CD1 4.34Å; F676-L679 PolarHBondContact O-N 3.18Å; F676-N684 PolarHBondContact N-OD1 3.22Å; F676-N684 PolarHBondContact O-ND2 3.24Å
677	G	94.6	Very high	96.7	Very high	63 Å²	63	35.1 Å²	35.1	65%	0.649	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.3	176.1	0	0	0	0	0	115
678	K	95.1	Very high	96.7	Very high	85 Å²	85	34.8 Å²	34.8	37%	0.37	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.8	171.7	63.6	-177.9	174.4	-171.8	0	113.5	Y96 E97 L99 F101 F676	Y96-K678 VanDerWaalsContact O-CE 3.29Å; Y96-K678 WeakPolarHBondContact O-CE 3.45Å; Y96-K678 PolarHBondContact O-NZ 2.85Å; E97-K678 PolarHBondContact O-NZ 3.22Å; L99-K678 VanDerWaalsContact O-CE 3.27Å; L99-K678 WeakPolarHBondContact O-CE 3.22Å; L99-K678 PolarHBondContact O-NZ 3.34Å; F101-K678 HydrophobicContact CD2-CD 4.48Å; F676-K678 HydrophobicContact CB-CG 4.17Å; F676-K678 PolarHBondContact O-N 3.22Å; F676-K678 VanDerWaalsContact O-N 3.07Å
679	L	96.8	Very high	96.8	Very high	10 Å²	10	34 Å²	34	5%	0.052	18%	0.177	C	C	.	.	S	Bend	trans	-94.1	151.2	176.2	-59.6	-174.7	0	0	0	109.6	F101 Y463 F676	F101-L679 HydrophobicContact CB-CD2 3.76Å; F101-L679 HydrophobicContact CD1-CD2 4.03Å; F101-L679 HydrophobicContact CD2-CD2 3.51Å; F101-L679 HydrophobicContact CE2-CD2 4.04Å; F101-L679 HydrophobicContact CG-CD2 3.5Å; F101-L679 VanDerWaalsContact CG-CD2 3.5Å; Y463-L679 WeakPolarHBondContact OH-CD2 3.37Å; F676-L679 HydrophobicContact CB-CB 4.29Å; F676-L679 HydrophobicContact CB-CD1 3.88Å; F676-L679 HydrophobicContact CB-CG 3.77Å; F676-L679 HydrophobicContact CD2-CD1 4.19Å; F676-L679 HydrophobicContact CG-CD1 4.34Å; F676-L679 PolarHBondContact O-N 3.18Å
680	P	96.8	Very high	97	Very high	32 Å²	32	35 Å²	35	21%	0.208	19%	0.185	C	C	.	.			trans	-63.8	167.4	169.9	31.9	-37.8	0	0	0	110.9	N461 Y463 Q682 G683 N684	N461-P680 HydrophobicContact CB-CG 4.21Å; Y463-P680 HydrophobicContact CD2-CG 3.91Å; Y463-P680 HydrophobicContact CE2-CG 3.53Å; P680-Q682 VanDerWaalsContact C-N 3.33Å; P680-Q682 HydrophobicContact CG-CG 4.42Å; P680-Q682 PolarHBondContact O-N 3.49Å; P680-G683 WeakPolarHBondContact O-CA 3.26Å; P680-G683 PolarHBondContact O-N 3.15Å; P680-N684 PolarHBondContact O-ND2 3.25Å; P680-N684 VanDerWaalsContact O-ND2 3.16Å
681	L	97	Very high	97.1	Very high	104 Å²	104	32.8 Å²	32.8	55%	0.545	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-50.6	-50.8	-177.4	175.8	64.1	0	0	0	112.5	G683 N684 F685 L714	L681-G683 PolarHBondContact O-N 3.44Å; L681-N684 PolarHBondContact O-N 2.07Å; L681-N684 VanDerWaalsContact O-N 3.07Å; L681-F685 HydrophobicContact CD1-CE2 4.31Å; L681-F685 HydrophobicContact CG-CE2 4.34Å; L681-L714 HydrophobicContact CD1-CD1 3.6Å; L681-L714 HydrophobicContact CD1-CD2 3.73Å; L681-L714 HydrophobicContact CD1-CG 4.31Å
682	Q	96.8	Very high	97.1	Very high	65 Å²	65	32.7 Å²	32.7	30%	0.304	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-63.5	-25.4	180	64.1	-84.9	20.3	0	0	113.3	N461 Y463 V465 P680 N684 F685	N461-Q682 PolarHBondContact O-NE2 3.26Å; Y463-Q682 HydrophobicContact CD2-CG 3.89Å; Y463-Q682 HydrophobicContact CG-CG 4.09Å; V465-Q682 WeakPolarHBondContact CG1-O 3.45Å; V465-Q682 HydrophobicContact CG2-CB 3.85Å; P680-Q682 VanDerWaalsContact C-N 3.33Å; P680-Q682 HydrophobicContact CG-CG 4.42Å; P680-Q682 PolarHBondContact O-N 3.49Å; Q682-N684 PolarHBondContact O-N 2.89Å; Q682-F685 PolarHBondContact O-N 3.46Å
683	G	97.4	Very high	97.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-71.5	-7.7	175.2	0	0	0	0	0	114.1	Y463 P680 L681	Y463-G683 VanDerWaalsContact CD1-CA 3.49Å; Y463-G683 VanDerWaalsContact CE1-CA 3.49Å; P680-G683 WeakPolarHBondContact O-CA 3.26Å; P680-G683 PolarHBondContact O-N 3.15Å; L681-G683 PolarHBondContact O-N 3.44Å
684	N	97.8	Very high	97.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.011	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-104.4	3.9	177.1	-70.7	-79.7	0	0	0	113.6	Y675 F676 P680 L681 Q682 Y686 A712 L714	Y675-N684 HydrophobicContact CD2-CB 4.02Å; Y675-N684 WeakPolarHBondContact CD2-OD1 3.39Å; Y675-N684 HydrophobicContact CE2-CB 4.27Å; F676-N684 PolarHBondContact N-OD1 3.22Å; F676-N684 PolarHBondContact O-ND2 3.24Å; P680-N684 PolarHBondContact O-ND2 3.25Å; P680-N684 VanDerWaalsContact O-ND2 3.16Å; L681-N684 PolarHBondContact O-N 2.07Å; L681-N684 VanDerWaalsContact O-N 3.07Å; Q682-N684 PolarHBondContact O-N 2.89Å; N684-Y686 WeakPolarHBondContact O-CD2 3.25Å; N684-A712 VanDerWaalsContact O-CB 3.28Å; N684-A712 WeakPolarHBondContact O-CB 2.81Å; N684-L714 HydrophobicContact CB-CD2 4.18Å
685	F	98.3	Very high	97.2	Very high	49 Å²	49	31.5 Å²	31.5	22%	0.215	17%	0.172	C	C	.	.			trans	-90.9	138.5	171.5	-83.4	-98.9	0	0	0	110.8	S455 V465 L681 Q682 A710 V711 A712	S455-F685 PolarHBondContact OG-O 2.86Å; V465-F685 HydrophobicContact CB-CB 4.02Å; V465-F685 HydrophobicContact CG1-CB 4.13Å; V465-F685 HydrophobicContact CG2-CB 4.16Å; L681-F685 HydrophobicContact CD1-CE2 4.31Å; L681-F685 HydrophobicContact CG-CE2 4.34Å; Q682-F685 PolarHBondContact O-N 3.46Å; F685-A710 HydrophobicContact CD1-CB 3.73Å; F685-A710 HydrophobicContact CE1-CB 4.41Å; F685-V711 WeakPolarHBondContact CA-O 3.47Å; F685-A712 HydrophobicContact CD1-CB 4.09Å; F685-A712 HydrophobicContact CD2-CB 4.15Å; F685-A712 HydrophobicContact CE1-CB 4.18Å; F685-A712 HydrophobicContact CE2-CB 4.21Å; F685-A712 HydrophobicContact CG-CB 4.11Å; F685-A712 HydrophobicContact CZ-CB 4.24Å
686	Y	98.6	Very high	97.1	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.9	-179.7	-66.4	-93.1	0	0	0	110	F454 F661 R673 N684 A710 V711	F454-Y686 HydrophobicContact CB-CD1 4.41Å; F454-Y686 WeakPolarHBondContact O-CE1 3.5Å; F661-Y686 HydrophobicContact CE2-CD2 4.37Å; F661-Y686 AromaticContact CZ-CD2 3.63Å; F661-Y686 HydrophobicContact CZ-CD2 3.63Å; F661-Y686 AromaticContact CZ-CE2 4Å; F661-Y686 HydrophobicContact CZ-CE2 4Å; R673-Y686 HydrophobicContact CB-CE2 4.38Å; R673-Y686 HydrophobicContact CG-CD1 4.47Å; R673-Y686 HydrophobicContact CG-CD2 4.34Å; R673-Y686 HydrophobicContact CG-CG 4.26Å; N684-Y686 WeakPolarHBondContact O-CD2 3.25Å; Y686-A710 WeakPolarHBondContact O-CA 3.2Å; Y686-V711 PolarHBondContact N-O 3.4Å; Y686-V711 PolarHBondContact O-N 3.11Å
687	P	98.5	Very high	97	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	141.4	173.5	29.4	-33.9	0	0	0	110.8	A219 F454 F468 S663 P689	A219-P687 HydrophobicContact CB-CB 3.93Å; A219-P687 HydrophobicContact CB-CG 4.21Å; F454-P687 HydrophobicContact CD2-CG 3.87Å; F454-P687 HydrophobicContact CE2-CG 4.2Å; F454-P687 HydrophobicContact CG-CG 4.07Å; F468-P687 HydrophobicContact CD1-CB 4.02Å; F468-P687 HydrophobicContact CE1-CB 4.04Å; F468-P687 HydrophobicContact CE1-CG 4.27Å; F468-P687 HydrophobicContact CG-CB 4.3Å; F468-P687 HydrophobicContact CZ-CB 4.34Å; F468-P687 HydrophobicContact CZ-CG 4.28Å; S663-P687 PolarHBondContact OG-O 3.46Å; P687-P689 VanDerWaalsContact C-CD 3.42Å
688	M	98.1	Very high	97	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	75.5	170.8	-173.6	-168.6	67	0	0	108.6	S690 A692 L703 G709 V711	M688-S690 PolarHBondContact O-N 2.74Å; M688-A692 HydrophobicContact CG-CB 3.97Å; M688-A692 HydrophobicContact SD-CB 3.73Å; M688-L703 HydrophobicContact CE-CD2 4.36Å; M688-L703 HydrophobicContact SD-CD2 4.12Å; M688-L703 HydrophobicContact SD-CG 4.49Å; M688-G709 WeakPolarHBondContact CA-O 3.22Å; M688-G709 PolarHBondContact N-O 3.42Å; M688-G709 PolarHBondContact O-N 3.5Å; M688-G709 VanDerWaalsContact O-N 3.12Å; M688-V711 HydrophobicContact CB-CB 3.81Å; M688-V711 HydrophobicContact CB-CG1 3.68Å; M688-V711 HydrophobicContact CG-CB 4.33Å; M688-V711 HydrophobicContact CG-CG1 4.3Å; M688-V711 HydrophobicContact SD-CB 4.11Å; M688-V711 HydrophobicContact SD-CG2 4.25Å
689	P	98.1	Very high	96.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.213	C	C	.	.	S	Bend	trans	-61.4	-27	179.8	10.3	-17.3	0	0	0	114.2	A219 R479 D664 P687 P708	A219-P689 WeakPolarHBondContact O-CG 3.43Å; R479-P689 PolarHBondContact NH2-O 2.68Å; D664-P689 WeakPolarHBondContact O-CD 3.39Å; D664-P689 WeakPolarHBondContact OD1-CD 3.45Å; D664-P689 VanDerWaalsContact OD1-N 3.12Å; D664-P689 VanDerWaalsContact OD2-CG 3.26Å; D664-P689 WeakPolarHBondContact OD2-CG 3.49Å; P687-P689 VanDerWaalsContact C-CD 3.42Å; P689-P708 HydrophobicContact CB-CB 4.49Å
690	S	98.1	Very high	96.8	Very high	29 Å²	29	49.3 Å²	49.3	20%	0.203	23%	0.232	C	C	.	.	S	Bend	trans	-150.4	-29.6	179.4	72.8	0	0	0	0	115.9	D664 G667 M688 L704 S705	D664-S690 VanDerWaalsContact CG-N 3.29Å; D664-S690 PolarHBondContact OD1-N 2.95Å; D664-S690 WeakPolarHBondContact OD2-CB 3.4Å; D664-S690 PolarHBondContact OD2-N 3.23Å; D664-S690 PolarHBondContact OD2-OG 3.33Å; G667-S690 WeakPolarHBondContact CA-OG 3.29Å; M688-S690 PolarHBondContact O-N 2.74Å; S690-L704 CarbonylContact O-C 3.6Å; S690-S705 PolarHBondContact O-N 2.76Å
691	A	97.9	Very high	96.7	Very high	11 Å²	11	50.9 Å²	50.9	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	147.5	-170.3	0	0	0	0	0	113.7	D664 M670 L703 L704	D664-A691 HydrophobicContact CB-CB 4.4Å; D664-A691 PolarHBondContact N-O 3.35Å; D664-A691 PolarHBondContact OD1-N 3.06Å; M670-A691 HydrophobicContact SD-CB 4.34Å; A691-L703 WeakPolarHBondContact CA-O 3.11Å; A691-L704 HydrophobicContact CB-CD2 3.68Å
692	A	98.1	Very high	96.6	Very high	7 Å²	7	49.2 Å²	49.2	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.7	167	0	0	0	0	0	110.7	F662 M688 L703 V711	F662-A692 CarbonylContact O-C 3.59Å; F662-A692 WeakPolarHBondContact O-CA 3.42Å; F662-A692 VanDerWaalsContact O-CB 3.29Å; F662-A692 WeakPolarHBondContact O-CB 3.09Å; M688-A692 HydrophobicContact CG-CB 3.97Å; M688-A692 HydrophobicContact SD-CB 3.73Å; A692-L703 PolarHBondContact N-O 2.99Å; A692-L703 PolarHBondContact O-N 3.15Å; A692-V711 HydrophobicContact CB-CB 4.44Å; A692-V711 HydrophobicContact CB-CG1 4.22Å; A692-V711 HydrophobicContact CB-CG2 3.83Å
693	F	97.2	Very high	96.6	Very high	21 Å²	21	48.4 Å²	48.4	9%	0.092	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157.7	173.5	67.7	-96.2	0	0	0	113.3	F662 M670 E695 R700 L701 T702	F662-F693 HydrophobicContact CB-CD1 3.78Å; F662-F693 HydrophobicContact CB-CD2 4.09Å; F662-F693 HydrophobicContact CB-CE1 3.44Å; F662-F693 VanDerWaalsContact CB-CE1 3.44Å; F662-F693 HydrophobicContact CB-CE2 3.78Å; F662-F693 HydrophobicContact CB-CG 4.08Å; F662-F693 HydrophobicContact CB-CZ 3.43Å; F662-F693 VanDerWaalsContact CB-CZ 3.43Å; F662-F693 HydrophobicContact CD1-CE1 4.37Å; F662-F693 HydrophobicContact CD1-CE2 4.19Å; F662-F693 AromaticContact CD1-CZ 3.71Å; F662-F693 HydrophobicContact CD1-CZ 3.71Å; F662-F693 AromaticContact CD2-CD2 3.68Å; F662-F693 HydrophobicContact CD2-CD2 3.68Å; F662-F693 HydrophobicContact CD2-CE1 4.34Å; F662-F693 AromaticContact CD2-CE2 3.08Å; F662-F693 HydrophobicContact CD2-CE2 3.08Å; F662-F693 HydrophobicContact CD2-CG 4.5Å; F662-F693 AromaticContact CD2-CZ 3.47Å; F662-F693 HydrophobicContact CD2-CZ 3.47Å; F662-F693 VanDerWaalsContact CD2-CZ 3.47Å; F662-F693 HydrophobicContact CE1-CZ 4.25Å; F662-F693 HydrophobicContact CE2-CD2 4.41Å; F662-F693 AromaticContact CE2-CE2 3.57Å; F662-F693 HydrophobicContact CE2-CE2 3.57Å; F662-F693 HydrophobicContact CE2-CZ 4.06Å; F662-F693 HydrophobicContact CG-CD1 4.48Å; F662-F693 HydrophobicContact CG-CD2 4.13Å; F662-F693 AromaticContact CG-CE1 3.84Å; F662-F693 HydrophobicContact CG-CE1 3.84Å; F662-F693 AromaticContact CG-CE2 3.44Å; F662-F693 HydrophobicContact CG-CE2 3.44Å; F662-F693 VanDerWaalsContact CG-CE2 3.44Å; F662-F693 AromaticContact CG-CZ 3.25Å; F662-F693 HydrophobicContact CG-CZ 3.25Å; F662-F693 HydrophobicContact CZ-CE2 4.28Å; F662-F693 HydrophobicContact CZ-CZ 4.4Å; F662-F693 PolarHBondContact N-O 3.13Å; F662-F693 PolarHBondContact O-N 3.39Å; M670-F693 HydrophobicContact CB-CE1 4.45Å; M670-F693 HydrophobicContact CE-CD1 3.75Å; M670-F693 HydrophobicContact CE-CE1 3.69Å; M670-F693 HydrophobicContact CG-CE1 4.2Å; F693-E695 HydrophobicContact CD2-CB 4.47Å; F693-E695 HydrophobicContact CD2-CG 4.41Å; F693-E695 HydrophobicContact CE2-CG 4.19Å; F693-R700 HydrophobicContact CB-CG 4.17Å; F693-R700 HydrophobicContact CD2-CG 4.01Å; F693-R700 HydrophobicContact CG-CG 4.31Å; F693-L701 WeakPolarHBondContact CA-O 3.27Å; F693-L701 VanDerWaalsContact CB-O 3.28Å; F693-L701 WeakPolarHBondContact CB-O 3.12Å; F693-T702 HydrophobicContact CB-CG2 4.28Å
694	I	97.4	Very high	96.5	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.097	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151	163.3	55.3	171.5	0	0	0	108.4	S652 I654 N656 F661 R700 L701	S652-I694 WeakPolarHBondContact OG-CD1 3.45Å; I654-I694 HydrophobicContact CB-CD1 4.27Å; I654-I694 HydrophobicContact CD1-CD1 4.43Å; I654-I694 HydrophobicContact CD1-CG1 4.25Å; I654-I694 HydrophobicContact CG2-CD1 4.49Å; N656-I694 HydrophobicContact CB-CB 4.29Å; F661-I694 HydrophobicContact CB-CG2 3.62Å; I694-R700 WeakPolarHBondContact O-CA 3.02Å; I694-L701 HydrophobicContact CG1-CB 4.12Å; I694-L701 PolarHBondContact N-O 3.17Å; I694-L701 VanDerWaalsContact N-O 3.15Å; I694-L701 PolarHBondContact O-N 3.01Å
695	E	95.8	Very high	96.3	Very high	59 Å²	59	56.1 Å²	56.1	28%	0.276	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157	178.9	66.6	-176.3	-177.9	0	0	112.4	I654 N656 F662 F693 L699 R700	I654-E695 VanDerWaalsContact CG2-C 3.45Å; N656-E695 WeakPolarHBondContact CA-O 3.49Å; N656-E695 WeakPolarHBondContact CB-O 3.24Å; F662-E695 HydrophobicContact CE2-CG 4.32Å; F693-E695 HydrophobicContact CD2-CB 4.47Å; F693-E695 HydrophobicContact CD2-CG 4.41Å; F693-E695 HydrophobicContact CE2-CG 4.19Å; E695-L699 VanDerWaalsContact CA-O 3.25Å; E695-L699 WeakPolarHBondContact CA-O 3.31Å; E695-R700 HydrophobicContact CB-CB 4.08Å; E695-R700 HydrophobicContact CB-CG 4.16Å; E695-R700 IonicContact OE1-NH2 3.51Å; E695-R700 IonicContact OE2-CZ 3.35Å; E695-R700 IonicContact OE2-NE 2.66Å; E695-R700 PolarHBondContact OE2-NE 2.05Å; E695-R700 IonicContact OE2-NH2 3.6Å; E695-R700 PolarHBondContact OE2-NH2 3.38Å
696	D	95	Very high	96.1	Very high	36 Å²	36	55.3 Å²	55.3	19%	0.193	28%	0.278	C	S	.	.			trans	-125.4	-170.5	163.2	66.4	27.3	0	0	0	109.2	I654 D655 R698 L699	I654-D696 HydrophobicContact CG2-CB 3.92Å; D655-D696 PolarHBondContact N-OD2 3.16Å; D655-D696 WeakPolarHBondContact O-CB 3.33Å; D696-R698 PolarHBondContact O-N 2.89Å; D696-R698 WeakPolarHBondContact OD1-CA 3.47Å; D696-R698 PolarHBondContact OD1-N 3.13Å; D696-L699 PolarHBondContact N-O 3.33Å; D696-L699 PolarHBondContact OD1-N 3.43Å
697	H	93.7	Very high	95.9	Very high	175 Å²	175	58.6 Å²	58.6	81%	0.81	29%	0.294	S	S	*	.	S	Bend	trans	-62.5	-7	178.6	68.6	-67.1	0	0	0	115.5
698	R	94.3	Very high	95.9	Very high	195 Å²	195	58.8 Å²	58.8	74%	0.736	30%	0.295	S	S	*	.	S	Bend	trans	-127.3	-38.3	-174	-63.9	179.4	62.7	-175.8	-2.6	114.1	D696	D696-R698 PolarHBondContact O-N 2.89Å; D696-R698 WeakPolarHBondContact OD1-CA 3.47Å; D696-R698 PolarHBondContact OD1-N 3.13Å
699	L	94.2	Very high	95.9	Very high	88 Å²	88	58.6 Å²	58.6	46%	0.461	30%	0.297	S	S	.	.			trans	-132	143.9	-167	-64.3	175.9	0	0	0	110.6	I654 E695 D696	I654-L699 HydrophobicContact CD1-CB 4.15Å; I654-L699 HydrophobicContact CG1-CB 4.01Å; E695-L699 VanDerWaalsContact CA-O 3.25Å; E695-L699 WeakPolarHBondContact CA-O 3.31Å; D696-L699 PolarHBondContact N-O 3.33Å; D696-L699 PolarHBondContact OD1-N 3.43Å
700	R	94.4	Very high	95.9	Very high	121 Å²	121	59.9 Å²	59.9	46%	0.457	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.9	170.4	-178.5	-178.4	-72.3	-178	-1.4	109.1	F693 I694 E695	F693-R700 HydrophobicContact CB-CG 4.17Å; F693-R700 HydrophobicContact CD2-CG 4.01Å; F693-R700 HydrophobicContact CG-CG 4.31Å; I694-R700 WeakPolarHBondContact O-CA 3.02Å; E695-R700 HydrophobicContact CB-CB 4.08Å; E695-R700 HydrophobicContact CB-CG 4.16Å; E695-R700 IonicContact OE1-NH2 3.51Å; E695-R700 IonicContact OE2-CZ 3.35Å; E695-R700 IonicContact OE2-NE 2.66Å; E695-R700 PolarHBondContact OE2-NE 2.05Å; E695-R700 IonicContact OE2-NH2 3.6Å; E695-R700 PolarHBondContact OE2-NH2 3.38Å
701	L	93.8	Very high	95.9	Very high	65 Å²	65	59.7 Å²	59.7	34%	0.34	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.3	169.1	176.9	63.5	0	0	0	108.4	L650 I654 F693 I694	L650-L701 HydrophobicContact CB-CD2 4.32Å; L650-L701 HydrophobicContact CD1-CD2 4.33Å; I654-L701 HydrophobicContact CD1-CB 3.56Å; F693-L701 WeakPolarHBondContact CA-O 3.27Å; F693-L701 VanDerWaalsContact CB-O 3.28Å; F693-L701 WeakPolarHBondContact CB-O 3.12Å; I694-L701 HydrophobicContact CG1-CB 4.12Å; I694-L701 PolarHBondContact N-O 3.17Å; I694-L701 VanDerWaalsContact N-O 3.15Å; I694-L701 PolarHBondContact O-N 3.01Å
702	T	95.4	Very high	95.9	Very high	70 Å²	70	60.6 Å²	60.6	43%	0.429	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.3	179.8	-54	0	0	0	0	110.5	F693 L704	F693-T702 HydrophobicContact CB-CG2 4.28Å; T702-L704 HydrophobicContact CG2-CD2 3.93Å; T702-L704 HydrophobicContact CG2-CG 4.33Å
703	L	95.6	Very high	95.8	Very high	47 Å²	47	60.8 Å²	60.8	25%	0.246	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.7	170.4	177.4	63.1	0	0	0	108.9	M648 M688 A691 A692	M648-L703 HydrophobicContact CE-CD1 4.11Å; M648-L703 HydrophobicContact CE-CD2 4.16Å; M688-L703 HydrophobicContact CE-CD2 4.36Å; M688-L703 HydrophobicContact SD-CD2 4.12Å; M688-L703 HydrophobicContact SD-CG 4.49Å; A691-L703 WeakPolarHBondContact CA-O 3.11Å; A692-L703 PolarHBondContact N-O 2.99Å; A692-L703 PolarHBondContact O-N 3.15Å
704	L	95.7	Very high	95.7	Very high	135 Å²	135	62 Å²	62	71%	0.707	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	138.3	169.7	-58	180	0	0	0	109.8	S690 A691 T702	S690-L704 CarbonylContact O-C 3.6Å; A691-L704 HydrophobicContact CB-CD2 3.68Å; T702-L704 HydrophobicContact CG2-CD2 3.93Å; T702-L704 HydrophobicContact CG2-CG 4.33Å
705	S	95.1	Very high	95.5	Very high	31 Å²	31	64.9 Å²	64.9	22%	0.217	34%	0.339	C	S	.	.			trans	-119.9	138.9	-176.4	-171.7	0	0	0	0	112.3	S690 Q707	S690-S705 PolarHBondContact O-N 2.76Å; S705-Q707 VanDerWaalsContact C-N 3.27Å; S705-Q707 WeakPolarHBondContact CB-O 3.37Å; S705-Q707 PolarHBondContact O-N 3.08Å; S705-Q707 PolarHBondContact OG-N 3.24Å; S705-Q707 PolarHBondContact OG-O 3.13Å
706	G	93.2	Very high	95.4	Very high	32 Å²	32	64.6 Å²	64.6	33%	0.33	34%	0.344	S	S	.	.	S	Bend	trans	-82.7	1.2	172.9	0	0	0	0	0	114.5	R476 R479	R476-G706 WeakPolarHBondContact CD-O 3.44Å; R476-G706 VanDerWaalsContact NH1-C 3.34Å; R476-G706 VanDerWaalsContact NH1-CA 3.26Å; R476-G706 PolarHBondContact NH1-O 3.12Å; R479-G706 WeakPolarHBondContact CB-O 3.39Å
707	Q	95.3	Very high	95.3	Very high	73 Å²	73	63.5 Å²	63.5	34%	0.341	34%	0.341	S	S	.	.	S	Bend	trans	-155.1	153	-179.6	64.2	-77.9	-24.7	0	0	110.1	R476 S705	R476-Q707 HydrophobicContact CB-CB 3.9Å; R476-Q707 HydrophobicContact CB-CG 4.44Å; S705-Q707 VanDerWaalsContact C-N 3.27Å; S705-Q707 WeakPolarHBondContact CB-O 3.37Å; S705-Q707 PolarHBondContact O-N 3.08Å; S705-Q707 PolarHBondContact OG-N 3.24Å; S705-Q707 PolarHBondContact OG-O 3.13Å
708	P	98.2	Very high	95.3	Very high	4 Å²	4	58 Å²	58	3%	0.026	32%	0.318	C	S	.	.			trans	-65.1	146.6	173.1	26.3	-31.5	0	0	0	111.1	N220 K475 P689	N220-P708 HydrophobicContact CB-CB 3.72Å; N220-P708 HydrophobicContact CB-CG 3.86Å; K475-P708 HydrophobicContact CB-CG 3.78Å; K475-P708 HydrophobicContact CD-CG 4.01Å; K475-P708 HydrophobicContact CG-CG 3.86Å; P689-P708 HydrophobicContact CB-CB 4.49Å
709	G	97.3	Very high	95.4	Very high	12 Å²	12	50.7 Å²	50.7	12%	0.124	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	179	178.3	0	0	0	0	0	111.8	F468 M688	F468-G709 CarbonylContact O-C 3.49Å; F468-G709 WeakPolarHBondContact O-CA 3.37Å; M688-G709 WeakPolarHBondContact CA-O 3.22Å; M688-G709 PolarHBondContact N-O 3.42Å; M688-G709 PolarHBondContact O-N 3.5Å; M688-G709 VanDerWaalsContact O-N 3.12Å
710	A	98	Very high	95.4	Very high	28 Å²	28	48.7 Å²	48.7	23%	0.231	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	147.8	170.3	0	0	0	0	0	111.6	F468 T469 F685 Y686	F468-A710 HydrophobicContact CB-CB 3.75Å; F468-A710 HydrophobicContact CD2-CB 4.03Å; F468-A710 HydrophobicContact CG-CB 4.43Å; T469-A710 PolarHBondContact OG1-N 3.3Å; F685-A710 HydrophobicContact CD1-CB 3.73Å; F685-A710 HydrophobicContact CE1-CB 4.41Å; Y686-A710 WeakPolarHBondContact O-CA 3.2Å
711	V	97.9	Very high	95.5	Very high	24 Å²	24	44.4 Å²	44.4	15%	0.145	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.4	173.7	71.3	0	0	0	0	111.8	F661 F685 Y686 M688 A692	F661-V711 HydrophobicContact CE2-CG1 4.15Å; F685-V711 WeakPolarHBondContact CA-O 3.47Å; Y686-V711 PolarHBondContact N-O 3.4Å; Y686-V711 PolarHBondContact O-N 3.11Å; M688-V711 HydrophobicContact CB-CB 3.81Å; M688-V711 HydrophobicContact CB-CG1 3.68Å; M688-V711 HydrophobicContact CG-CB 4.33Å; M688-V711 HydrophobicContact CG-CG1 4.3Å; M688-V711 HydrophobicContact SD-CB 4.11Å; M688-V711 HydrophobicContact SD-CG2 4.25Å; A692-V711 HydrophobicContact CB-CB 4.44Å; A692-V711 HydrophobicContact CB-CG1 4.22Å; A692-V711 HydrophobicContact CB-CG2 3.83Å
712	A	97.3	Very high	95.6	Very high	30 Å²	30	43.1 Å²	43.1	25%	0.248	27%	0.273	C	S	.	.			trans	-153.4	147.5	171.3	0	0	0	0	0	110.5	N684 F685 L714	N684-A712 VanDerWaalsContact O-CB 3.28Å; N684-A712 WeakPolarHBondContact O-CB 2.81Å; F685-A712 HydrophobicContact CD1-CB 4.09Å; F685-A712 HydrophobicContact CD2-CB 4.15Å; F685-A712 HydrophobicContact CE1-CB 4.18Å; F685-A712 HydrophobicContact CE2-CB 4.21Å; F685-A712 HydrophobicContact CG-CB 4.11Å; F685-A712 HydrophobicContact CZ-CB 4.24Å; A712-L714 HydrophobicContact CB-CD2 3.87Å; A712-L714 HydrophobicContact CB-CG 4.11Å
713	S	96.7	Very high	95.6	Very high	11 Å²	11	41.3 Å²	41.3	8%	0.077	26%	0.262	C	S	.	.			trans	-106.4	97.9	162.7	-165.3	0	0	0	0	107.9	N656 T715	N656-S713 PolarHBondContact ND2-OG 3.39Å; S713-T715 PolarHBondContact OG-O 3.02Å; S713-T715 VanDerWaalsContact OG-O 3.05Å
714	L	95	Very high	95.6	Very high	48 Å²	48	40.9 Å²	40.9	25%	0.251	26%	0.263	S	S	.	.			trans	-88.4	-14.1	-174.6	-59.3	177.3	0	0	0	113.5	Q659 Y675 L681 N684 A712	Q659-L714 PolarHBondContact OE1-O 3.1Å; Y675-L714 HydrophobicContact CD2-CD2 4.22Å; Y675-L714 HydrophobicContact CE2-CD2 4.11Å; L681-L714 HydrophobicContact CD1-CD1 3.6Å; L681-L714 HydrophobicContact CD1-CD2 3.73Å; L681-L714 HydrophobicContact CD1-CG 4.31Å; N684-L714 HydrophobicContact CB-CD2 4.18Å; A712-L714 HydrophobicContact CB-CD2 3.87Å; A712-L714 HydrophobicContact CB-CG 4.11Å
715	T	93.6	Very high	95.6	Very high	78 Å²	78	33.7 Å²	33.7	48%	0.479	23%	0.229	S	C	.	.	S	Bend	trans	-139.3	168.2	175.1	52.6	0	0	0	0	108.4	S713	S713-T715 PolarHBondContact OG-O 3.02Å; S713-T715 VanDerWaalsContact OG-O 3.05Å
716	S	93.5	Very high	95.7	Very high	54 Å²	54	33.9 Å²	33.9	38%	0.378	23%	0.23	S	C	.	.			trans	-70.7	142.6	166.7	-170.4	0	0	0	0	109.5	D655 N656	D655-S716 PolarHBondContact OD1-OG 3.2Å; N656-S716 PolarHBondContact N-OG 3.1Å; N656-S716 VanDerWaalsContact OD1-CA 3.31Å; N656-S716 WeakPolarHBondContact OD1-CA 3.44Å; N656-S716 PolarHBondContact OD1-OG 3.42Å
717	G	92.1	Very high	95.9	Very high	13 Å²	13	34.1 Å²	34.1	13%	0.134	22%	0.221	C	C	.	.			trans	74.8	0	-173.4	0	0	0	0	0	114.7	S652 I654 N656	S652-G717 WeakPolarHBondContact CA-O 3Å; S652-G717 WeakPolarHBondContact CB-O 3.17Å; S652-G717 PolarHBondContact N-O 3.23Å; S652-G717 WeakPolarHBondContact OG-CA 3.47Å; S652-G717 PolarHBondContact OG-O 3.09Å; I654-G717 VanDerWaalsContact O-CA 3.24Å; I654-G717 WeakPolarHBondContact O-CA 3.16Å; I654-G717 PolarHBondContact O-N 3.14Å; N656-G717 PolarHBondContact OD1-N 3.42Å

Retrieved 717 of 717 residues in 148.2 ms (Link to these results)

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