A0A093HPI3_STRCA Loading...

Beta-galactoside alpha-2,6-sialyltransferase 1

AlphaFold DB , UniProt , Accession A0A093HPI3, Species STRCA (Struthio camelus australis), Gene n/a, Length 415 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.9	Low	66.6	Low	218 Å²	218	132 Å²	132	100%	1.074	66%	0.661	S	S	*	*				0	-25.7	0	-120.8	175.2	-90.5	0	0	114.3
2	V	53.4	Low	67.8	Low	117 Å²	117	127.5 Å²	127.5	71%	0.709	65%	0.65	S	S	*	*	H	α-helix	trans	-74	-37.7	-176.4	-177.8	0	0	0	0	114.1	I4 N5 V6	V2-I4 PolarHBondContact O-N 3.01Å; V2-N5 PolarHBondContact O-N 3.33Å; V2-V6 PolarHBondContact O-N 3.19Å
3	H	55.4	Low	69.3	Low	167 Å²	167	124.4 Å²	124.4	77%	0.773	64%	0.641	S	S	*	*	H	α-helix	trans	-66.6	-33.2	-177.5	-89.4	-79.2	0	0	0	114.8	N5 V6 L7	H3-N5 VanDerWaalsContact C-N 3.31Å; H3-N5 PolarHBondContact O-N 2.83Å; H3-V6 PolarHBondContact O-N 2.68Å; H3-L7 PolarHBondContact O-N 3.08Å; H3-L7 VanDerWaalsContact O-N 3.1Å
4	I	60.5	Low	70.7	Confident	133 Å²	133	122.3 Å²	122.3	68%	0.682	63%	0.63	S	S	*	*	H	α-helix	trans	-68.1	-34.5	179.3	-67.6	169.8	0	0	0	110.9	V2 R8	V2-I4 PolarHBondContact O-N 3.01Å; I4-R8 WeakPolarHBondContact O-CB 3.45Å; I4-R8 PolarHBondContact O-N 3.14Å
5	N	61.4	Low	71.9	Confident	100 Å²	100	119.6 Å²	119.6	54%	0.535	62%	0.621	S	S	.	*	H	α-helix	trans	-73.2	-32.5	-179.9	-118.1	-4.2	0	0	0	112.4	V2 H3 K9	V2-N5 PolarHBondContact O-N 3.33Å; H3-N5 VanDerWaalsContact C-N 3.31Å; H3-N5 PolarHBondContact O-N 2.83Å; N5-K9 VanDerWaalsContact O-CG 3.32Å; N5-K9 WeakPolarHBondContact O-CG 3.49Å; N5-K9 PolarHBondContact O-N 3.43Å
6	V	71.6	Confident	73	Confident	80 Å²	80	118.3 Å²	118.3	49%	0.485	62%	0.62	S	S	.	*	H	α-helix	trans	-71	-44.4	173.9	178.4	0	0	0	0	110.3	V2 H3 R8 K9 C10	V2-V6 PolarHBondContact O-N 3.19Å; H3-V6 PolarHBondContact O-N 2.68Å; V6-R8 VanDerWaalsContact C-N 3.33Å; V6-R8 PolarHBondContact O-N 3.49Å; V6-K9 PolarHBondContact O-N 3.29Å; V6-C10 PolarHBondContact O-N 3.08Å; V6-C10 PolarHBondContact O-SG 3.5Å; V6-C10 VanDerWaalsContact O-SG 3.35Å
7	L	72.6	Confident	74	Confident	127 Å²	127	117.1 Å²	117.1	67%	0.665	61%	0.614	S	S	*	*	H	α-helix	trans	-60.9	-42.8	178.3	-142.8	95.9	0	0	0	111.7	H3 K9 C10 M11	H3-L7 PolarHBondContact O-N 3.08Å; H3-L7 VanDerWaalsContact O-N 3.1Å; L7-K9 PolarHBondContact O-N 2.68Å; L7-C10 PolarHBondContact O-N 2.85Å; L7-M11 WeakPolarHBondContact O-CB 2.95Å; L7-M11 VanDerWaalsContact O-CG 3.28Å; L7-M11 WeakPolarHBondContact O-CG 3.42Å; L7-M11 PolarHBondContact O-N 2.84Å
8	R	70.7	Confident	74.9	Confident	178 Å²	178	116.4 Å²	116.4	67%	0.672	61%	0.61	S	S	*	*	H	α-helix	trans	-65.4	-38.3	178.1	-164.9	175	177.7	-177.8	-0.5	112.2	I4 V6 M11 C12	I4-R8 WeakPolarHBondContact O-CB 3.45Å; I4-R8 PolarHBondContact O-N 3.14Å; V6-R8 VanDerWaalsContact C-N 3.33Å; V6-R8 PolarHBondContact O-N 3.49Å; R8-M11 PolarHBondContact O-N 3.1Å; R8-C12 PolarHBondContact O-N 3.28Å; R8-C12 PolarHBondContact O-SG 2.82Å; R8-C12 VanDerWaalsContact O-SG 3.37Å
9	K	74.1	Confident	75.6	Confident	149 Å²	149	114.6 Å²	114.6	65%	0.648	60%	0.604	S	S	*	*	H	α-helix	trans	-66.5	-43.2	173.9	-75.9	179.8	179.2	-173.7	0	111.8	N5 V6 L7 M11 C12 V13	N5-K9 VanDerWaalsContact O-CG 3.32Å; N5-K9 WeakPolarHBondContact O-CG 3.49Å; N5-K9 PolarHBondContact O-N 3.43Å; V6-K9 PolarHBondContact O-N 3.29Å; L7-K9 PolarHBondContact O-N 2.68Å; K9-M11 VanDerWaalsContact C-N 3.34Å; K9-M11 PolarHBondContact O-N 2.92Å; K9-C12 PolarHBondContact O-N 2.88Å; K9-V13 WeakPolarHBondContact O-CG2 2.85Å; K9-V13 PolarHBondContact O-N 2.92Å
10	C	76.8	Confident	76.3	Confident	71 Å²	71	111.2 Å²	111.2	48%	0.48	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-40.5	175.7	-68.5	0	0	0	0	112.2	V6 L7 V13 L14	V6-C10 PolarHBondContact O-N 3.08Å; V6-C10 PolarHBondContact O-SG 3.5Å; V6-C10 VanDerWaalsContact O-SG 3.35Å; L7-C10 PolarHBondContact O-N 2.85Å; C10-V13 PolarHBondContact O-N 3.19Å; C10-L14 PolarHBondContact O-N 2.01Å
11	M	81.3	Confident	76.9	Confident	112 Å²	112	110.7 Å²	110.7	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-64.7	-41.6	175.8	-72.6	-63.2	-67.5	0	0	112.3	L7 R8 K9 V13 L14 V15	L7-M11 WeakPolarHBondContact O-CB 2.95Å; L7-M11 VanDerWaalsContact O-CG 3.28Å; L7-M11 WeakPolarHBondContact O-CG 3.42Å; L7-M11 PolarHBondContact O-N 2.84Å; R8-M11 PolarHBondContact O-N 3.1Å; K9-M11 VanDerWaalsContact C-N 3.34Å; K9-M11 PolarHBondContact O-N 2.92Å; M11-V13 VanDerWaalsContact C-N 3.34Å; M11-V13 PolarHBondContact O-N 2.57Å; M11-L14 PolarHBondContact O-N 3.23Å; M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 3.43Å
12	C	81.3	Confident	78.2	Confident	78 Å²	78	104.4 Å²	104.4	53%	0.527	56%	0.564	S	S	.	*	H	α-helix	trans	-61.9	-40.9	174.5	-73.6	0	0	0	0	112.2	R8 K9 V15 V16	R8-C12 PolarHBondContact O-N 3.28Å; R8-C12 PolarHBondContact O-SG 2.82Å; R8-C12 VanDerWaalsContact O-SG 3.37Å; K9-C12 PolarHBondContact O-N 2.88Å; C12-V15 PolarHBondContact O-N 2.87Å; C12-V16 WeakPolarHBondContact O-CG2 3.46Å; C12-V16 PolarHBondContact O-N 2.76Å
13	V	87.1	Confident	79.5	Confident	87 Å²	87	102.8 Å²	102.8	53%	0.527	55%	0.554	S	S	.	*	H	α-helix	trans	-64.2	-42.4	176.9	173.3	0	0	0	0	111.2	K9 C10 M11 V15 V16 L17	K9-V13 WeakPolarHBondContact O-CG2 2.85Å; K9-V13 PolarHBondContact O-N 2.92Å; C10-V13 PolarHBondContact O-N 3.19Å; M11-V13 VanDerWaalsContact C-N 3.34Å; M11-V13 PolarHBondContact O-N 2.57Å; V13-V15 PolarHBondContact O-N 3.28Å; V13-V16 PolarHBondContact O-N 3.2Å; V13-L17 HydrophobicContact CG1-CD1 4.05Å; V13-L17 WeakPolarHBondContact O-CG 3.37Å; V13-L17 PolarHBondContact O-N 3.35Å
14	L	88.4	Confident	80.5	Confident	95 Å²	95	98.5 Å²	98.5	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-61.1	-42.4	175.6	-94.2	158.8	0	0	0	112.6	C10 M11 L17 L18	C10-L14 PolarHBondContact O-N 2.01Å; M11-L14 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 2.97Å; L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CG 3.23Å; L14-L18 PolarHBondContact O-N 3.31Å
15	V	88.9	Confident	81.2	Confident	82 Å²	82	97.8 Å²	97.8	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-43.2	177.1	172.2	0	0	0	0	111	M11 C12 V13 L17 L18 V19	M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 3.43Å; C12-V15 PolarHBondContact O-N 2.87Å; V13-V15 PolarHBondContact O-N 3.28Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 3.23Å; V15-L18 PolarHBondContact O-N 3.31Å; V15-V19 HydrophobicContact CG1-CG2 4.47Å; V15-V19 WeakPolarHBondContact O-CG2 3.49Å; V15-V19 PolarHBondContact O-N 3.26Å
16	V	89.9	Confident	81.5	Confident	98 Å²	98	100.2 Å²	100.2	59%	0.594	54%	0.541	S	S	*	.	H	α-helix	trans	-62.5	-41.7	176.9	171.8	0	0	0	0	111.2	C12 V13 V19 A20	C12-V16 WeakPolarHBondContact O-CG2 3.46Å; C12-V16 PolarHBondContact O-N 2.76Å; V13-V16 PolarHBondContact O-N 3.2Å; V16-V19 PolarHBondContact O-N 3.31Å; V16-A20 WeakPolarHBondContact O-CB 3.49Å; V16-A20 PolarHBondContact O-N 3.24Å
17	L	90.1	Very high	81	Confident	99 Å²	99	104.8 Å²	104.8	52%	0.518	55%	0.549	S	S	.	.	H	α-helix	trans	-64.5	-41.1	176.1	-74.7	169.9	0	0	0	112.3	V13 L14 V15 A20 L21	V13-L17 HydrophobicContact CG1-CD1 4.05Å; V13-L17 WeakPolarHBondContact O-CG 3.37Å; V13-L17 PolarHBondContact O-N 3.35Å; L14-L17 PolarHBondContact O-N 2.97Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 3.23Å; L17-A20 PolarHBondContact O-N 2.62Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 VanDerWaalsContact O-CG 3.32Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 3.45Å
18	L	89.6	Confident	80.6	Confident	104 Å²	104	104 Å²	104	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-65.6	-39.7	176	-77.2	167.3	0	0	0	112.2	L14 V15 L21 T22	L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CG 3.23Å; L14-L18 PolarHBondContact O-N 3.31Å; V15-L18 PolarHBondContact O-N 3.31Å; L18-L21 PolarHBondContact O-N 3Å; L18-T22 WeakPolarHBondContact O-CB 3.41Å; L18-T22 WeakPolarHBondContact O-CG2 3.42Å; L18-T22 PolarHBondContact O-N 2.88Å; L18-T22 PolarHBondContact O-OG1 2.95Å
19	V	88.9	Confident	79.9	Confident	82 Å²	82	99.5 Å²	99.5	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-66.4	-42.7	174.4	174	0	0	0	0	110.7	V15 V16 L21 T22 V23	V15-V19 HydrophobicContact CG1-CG2 4.47Å; V15-V19 WeakPolarHBondContact O-CG2 3.49Å; V15-V19 PolarHBondContact O-N 3.26Å; V16-V19 PolarHBondContact O-N 3.31Å; V19-L21 PolarHBondContact O-N 3.23Å; V19-T22 WeakPolarHBondContact CA-OG1 3.36Å; V19-T22 PolarHBondContact O-N 3.04Å; V19-T22 PolarHBondContact O-OG1 3.16Å; V19-V23 HydrophobicContact CG1-CG2 4.46Å; V19-V23 WeakPolarHBondContact O-CB 3.35Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.5Å; V19-V23 PolarHBondContact O-N 2.71Å
20	A	88.4	Confident	78.6	Confident	47 Å²	47	99.3 Å²	99.3	39%	0.388	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-43.3	175.8	0	0	0	0	0	111.9	V16 L17 V23 C24	V16-A20 WeakPolarHBondContact O-CB 3.49Å; V16-A20 PolarHBondContact O-N 3.24Å; L17-A20 PolarHBondContact O-N 2.62Å; A20-V23 PolarHBondContact O-N 3.18Å; A20-C24 WeakPolarHBondContact O-CB 3.43Å; A20-C24 PolarHBondContact O-N 3.25Å; A20-C24 PolarHBondContact O-SG 3.46Å
21	L	88.9	Confident	77.1	Confident	101 Å²	101	101.2 Å²	101.2	53%	0.529	53%	0.53	S	S	.	.	H	α-helix	trans	-64.9	-42	177	-78.2	167.5	0	0	0	112.3	L17 L18 V19 C24 L25	L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 VanDerWaalsContact O-CG 3.32Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 3.45Å; L18-L21 PolarHBondContact O-N 3Å; V19-L21 PolarHBondContact O-N 3.23Å; L21-C24 PolarHBondContact O-N 3.06Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 VanDerWaalsContact O-CG 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.75Å
22	T	83.3	Confident	74.9	Confident	86 Å²	86	100.8 Å²	100.8	53%	0.528	54%	0.538	S	S	.	.	H	α-helix	trans	-66	-39.4	176.4	48.7	0	0	0	0	111.7	L18 V19 W26	L18-T22 WeakPolarHBondContact O-CB 3.41Å; L18-T22 WeakPolarHBondContact O-CG2 3.42Å; L18-T22 PolarHBondContact O-N 2.88Å; L18-T22 PolarHBondContact O-OG1 2.95Å; V19-T22 WeakPolarHBondContact CA-OG1 3.36Å; V19-T22 PolarHBondContact O-N 3.04Å; V19-T22 PolarHBondContact O-OG1 3.16Å; T22-W26 WeakPolarHBondContact O-CB 3.34Å; T22-W26 PolarHBondContact O-N 3.38Å
23	V	80.3	Confident	72.8	Confident	82 Å²	82	106.9 Å²	106.9	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-64.9	-41.7	172.8	171.6	0	0	0	0	111.7	V19 A20 W26 R27	V19-V23 HydrophobicContact CG1-CG2 4.46Å; V19-V23 WeakPolarHBondContact O-CB 3.35Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.5Å; V19-V23 PolarHBondContact O-N 2.71Å; A20-V23 PolarHBondContact O-N 3.18Å; V23-W26 PolarHBondContact O-N 2.98Å; V23-R27 VanDerWaalsContact O-CB 3.29Å; V23-R27 WeakPolarHBondContact O-CB 3.34Å; V23-R27 PolarHBondContact O-N 2.6Å
24	C	77.6	Confident	70.2	Confident	77 Å²	77	108.7 Å²	108.7	52%	0.52	55%	0.55	S	S	.	.	H	α-helix	trans	-64.7	-46.4	176.5	-75.1	0	0	0	0	111.9	A20 L21 W26 R27 E28	A20-C24 WeakPolarHBondContact O-CB 3.43Å; A20-C24 PolarHBondContact O-N 3.25Å; A20-C24 PolarHBondContact O-SG 3.46Å; L21-C24 PolarHBondContact O-N 3.06Å; C24-W26 VanDerWaalsContact C-N 3.33Å; C24-W26 PolarHBondContact O-N 2.7Å; C24-R27 PolarHBondContact O-N 3.07Å; C24-E28 WeakPolarHBondContact O-CB 3.42Å; C24-E28 PolarHBondContact O-N 3Å
25	L	74.9	Confident	67.5	Low	118 Å²	118	110.7 Å²	110.7	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-65.4	-36.4	176.6	-71.1	168.9	0	0	0	111.7	L21 E28 T29	L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 VanDerWaalsContact O-CG 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.75Å; L25-E28 PolarHBondContact O-N 2.82Å; L25-T29 WeakPolarHBondContact O-CB 3.48Å; L25-T29 WeakPolarHBondContact O-CG2 3.4Å; L25-T29 PolarHBondContact O-N 2.87Å; L25-T29 PolarHBondContact O-OG1 2.86Å
26	W	67.3	Low	64.7	Low	152 Å²	152	112.2 Å²	112.2	58%	0.576	58%	0.577	S	S	*	*	H	α-helix	trans	-66.6	-37.6	172.8	-174.1	72.1	0	0	0	112.5	T22 V23 C24 T29 R30	T22-W26 WeakPolarHBondContact O-CB 3.34Å; T22-W26 PolarHBondContact O-N 3.38Å; V23-W26 PolarHBondContact O-N 2.98Å; C24-W26 VanDerWaalsContact C-N 3.33Å; C24-W26 PolarHBondContact O-N 2.7Å; W26-T29 VanDerWaalsContact CA-OG1 3.31Å; W26-T29 WeakPolarHBondContact CA-OG1 3.37Å; W26-T29 PolarHBondContact O-OG1 2.9Å; W26-R30 VanDerWaalsContact CH2-NH2 3.34Å; W26-R30 PolarHBondContact O-N 3.01Å; W26-R30 VanDerWaalsContact O-N 3.14Å
27	R	60.8	Low	62	Low	176 Å²	176	116.2 Å²	116.2	66%	0.664	59%	0.587	S	S	*	*	H	α-helix	trans	-69.7	-39.3	175.3	-165	176.2	-173.2	-173.6	2.1	111.9	V23 C24 R30 K31	V23-R27 VanDerWaalsContact O-CB 3.29Å; V23-R27 WeakPolarHBondContact O-CB 3.34Å; V23-R27 PolarHBondContact O-N 2.6Å; C24-R27 PolarHBondContact O-N 3.07Å; R27-R30 PolarHBondContact O-N 2.87Å; R27-K31 PolarHBondContact O-N 2.87Å; R27-K31 VanDerWaalsContact O-N 3.07Å
28	E	64.4	Low	58.9	Low	110 Å²	110	120.9 Å²	120.9	51%	0.514	60%	0.603	S	S	.	*	H	α-helix	trans	-72.6	-38.4	179.3	-150.7	62.3	-155.9	0	0	111.9	C24 L25 R30 K31 S32	C24-E28 WeakPolarHBondContact O-CB 3.42Å; C24-E28 PolarHBondContact O-N 3Å; L25-E28 PolarHBondContact O-N 2.82Å; E28-R30 VanDerWaalsContact C-N 3.29Å; E28-R30 PolarHBondContact O-N 3.41Å; E28-K31 PolarHBondContact O-N 2.6Å; E28-K31 IonicContact OE1-NZ 3.37Å; E28-K31 IonicContact OE2-NZ 2.69Å; E28-K31 PolarHBondContact OE2-NZ 2.9Å; E28-S32 PolarHBondContact O-N 3.39Å
29	T	55.1	Low	56.1	Low	83 Å²	83	120.5 Å²	120.5	51%	0.509	61%	0.605	S	S	.	*	H	α-helix	trans	-64.1	-32.4	171.1	45.8	0	0	0	0	112.5	L25 W26 S32 Y33	L25-T29 WeakPolarHBondContact O-CB 3.48Å; L25-T29 WeakPolarHBondContact O-CG2 3.4Å; L25-T29 PolarHBondContact O-N 2.87Å; L25-T29 PolarHBondContact O-OG1 2.86Å; W26-T29 VanDerWaalsContact CA-OG1 3.31Å; W26-T29 WeakPolarHBondContact CA-OG1 3.37Å; W26-T29 PolarHBondContact O-OG1 2.9Å; T29-S32 PolarHBondContact O-N 3.35Å; T29-Y33 WeakPolarHBondContact O-CD2 3.4Å
30	R	48.6	Very low	53.2	Low	145 Å²	145	126.1 Å²	126.1	55%	0.547	63%	0.626	S	S	.	*	H	α-helix	trans	-70.5	-34.9	170.7	-85.2	-154.9	-170.1	-167.1	3.3	114.2	W26 R27 E28 S32 Y33 Y34	W26-R30 VanDerWaalsContact CH2-NH2 3.34Å; W26-R30 PolarHBondContact O-N 3.01Å; W26-R30 VanDerWaalsContact O-N 3.14Å; R27-R30 PolarHBondContact O-N 2.87Å; E28-R30 VanDerWaalsContact C-N 3.29Å; E28-R30 PolarHBondContact O-N 3.41Å; R30-S32 PolarHBondContact O-N 2.93Å; R30-Y33 PolarHBondContact O-N 3.38Å; R30-Y33 VanDerWaalsContact O-N 3.08Å; R30-Y34 PolarHBondContact O-N 3.22Å
31	K	43.8	Very low	50.4	Low	112 Å²	112	128.3 Å²	128.3	49%	0.487	64%	0.639	S	S	.	*	H	α-helix	trans	-62.8	-30	173.7	-75.3	-179.1	-170.5	158.6	0	112.5	R27 E28 Y33 Y34	R27-K31 PolarHBondContact O-N 2.87Å; R27-K31 VanDerWaalsContact O-N 3.07Å; E28-K31 PolarHBondContact O-N 2.6Å; E28-K31 IonicContact OE1-NZ 3.37Å; E28-K31 IonicContact OE2-NZ 2.69Å; E28-K31 PolarHBondContact OE2-NZ 2.9Å; K31-Y33 PolarHBondContact O-N 3.27Å; K31-Y34 CarbonylContact O-C 3.26Å; K31-Y34 VanDerWaalsContact O-C 3.26Å; K31-Y34 PolarHBondContact O-N 3.33Å
32	S	35.6	Very low	47.6	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-19.6	174.4	-155.8	0	0	0	0	113.3	E28 T29 R30	E28-S32 PolarHBondContact O-N 3.39Å; T29-S32 PolarHBondContact O-N 3.35Å; R30-S32 PolarHBondContact O-N 2.93Å
33	Y	36.7	Very low	44.9	Very low	206 Å²	206	134.4 Å²	134.4	81%	0.808	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-5.5	172.9	-70	-79.8	0	0	0	113.9	T29 R30 K31	T29-Y33 WeakPolarHBondContact O-CD2 3.4Å; R30-Y33 PolarHBondContact O-N 3.38Å; R30-Y33 VanDerWaalsContact O-N 3.08Å; K31-Y33 PolarHBondContact O-N 3.27Å
34	Y	32.2	Very low	42.2	Very low	124 Å²	124	138 Å²	138	49%	0.486	68%	0.684	S	S	.	*			trans	-138.3	101.5	-177.4	-85.6	-90	0	0	0	109.9	R30 K31 P36	R30-Y34 PolarHBondContact O-N 3.22Å; K31-Y34 CarbonylContact O-C 3.26Å; K31-Y34 VanDerWaalsContact O-C 3.26Å; K31-Y34 PolarHBondContact O-N 3.33Å; Y34-P36 WeakPolarHBondContact O-CD 3.44Å
35	V	32.7	Very low	39.7	Very low	138 Å²	138	143 Å²	143	84%	0.836	70%	0.7	S	S	*	*			trans	-97.3	109.3	164.6	-179.3	0	0	0	0	107.7
36	P	30.9	Very low	37.3	Very low	113 Å²	113	143 Å²	143	73%	0.734	70%	0.704	S	S	*	*			trans	-71.6	142.5	173.8	-11.9	28.2	0	0	0	110.5	Y34	Y34-P36 WeakPolarHBondContact O-CD 3.44Å
37	F	32.5	Very low	35.3	Very low	183 Å²	183	143.9 Å²	143.9	80%	0.803	71%	0.714	S	S	*	*			trans	-69.5	126.4	176	-157.8	-110	0	0	0	110.1	T39	F37-T39 HydrophobicContact CD1-CG2 4.04Å; F37-T39 HydrophobicContact CE1-CG2 3.27Å; F37-T39 HydrophobicContact CZ-CG2 3.8Å
38	K	25.6	Very low	33.6	Very low	197 Å²	197	146.9 Å²	146.9	86%	0.857	73%	0.726	S	S	*	*			trans	-123.7	105.2	160.9	-135.3	-176.2	-174.8	-169.5	0	107	E40	K38-E40 PolarHBondContact O-N 2.86Å
39	T	29.2	Very low	31.7	Very low	96 Å²	96	148.2 Å²	148.2	59%	0.589	74%	0.742	S	S	*	*			trans	-75.5	110.6	163.1	26.7	0	0	0	0	108.1	F37 S41	F37-T39 HydrophobicContact CD1-CG2 4.04Å; F37-T39 HydrophobicContact CE1-CG2 3.27Å; F37-T39 HydrophobicContact CZ-CG2 3.8Å; T39-S41 PolarHBondContact O-N 3.11Å
40	E	28.2	Very low	30.3	Very low	199 Å²	199	152.7 Å²	152.7	93%	0.93	76%	0.761	S	S	*	*			trans	-77.1	98.8	155.9	-83.7	178.3	161.4	0	0	107.6	K38	K38-E40 PolarHBondContact O-N 2.86Å
41	S	30.6	Very low	29.1	Very low	94 Å²	94	149.3 Å²	149.3	66%	0.657	77%	0.772	S	S	*	*			trans	-133.7	127.4	153.8	57.8	0	0	0	0	107	T39	T39-S41 PolarHBondContact O-N 3.11Å
42	D	30.3	Very low	28.1	Very low	160 Å²	160	153.1 Å²	153.1	86%	0.856	79%	0.788	S	S	*	*			trans	81.5	85.8	-179.7	-63.1	-14.4	0	0	0	117
43	D	26.2	Very low	27.5	Very low	154 Å²	154	160.6 Å²	160.6	82%	0.824	80%	0.801	S	S	*	*			trans	-151.7	98.3	130.2	-125.2	-11.2	0	0	0	110.7
44	L	24.1	Very low	26.8	Very low	157 Å²	157	157.9 Å²	157.9	82%	0.822	80%	0.8	S	S	*	*			trans	-158.6	65.7	158	-109.9	145.1	0	0	0	109.2	V46	L44-V46 HydrophobicContact CD2-CG2 3.46Å; L44-V46 VanDerWaalsContact CD2-CG2 3.46Å; L44-V46 PolarHBondContact O-N 2.78Å
45	Q	24.1	Very low	26.4	Very low	184 Å²	184	157.9 Å²	157.9	86%	0.86	81%	0.813	S	S	*	*			trans	-71	97.1	152.1	-76.6	-162.6	-4.6	0	0	108.3	H47	Q45-H47 PolarHBondContact O-N 2.82Å
46	V	25.2	Very low	25.9	Very low	117 Å²	117	159.8 Å²	159.8	71%	0.709	82%	0.818	S	S	*	*			trans	-77	110.5	167	176.8	0	0	0	0	108.4	L44 R48	L44-V46 HydrophobicContact CD2-CG2 3.46Å; L44-V46 VanDerWaalsContact CD2-CG2 3.46Å; L44-V46 PolarHBondContact O-N 2.78Å; V46-R48 PolarHBondContact O-N 3.46Å
47	H	24.8	Very low	25.6	Very low	171 Å²	171	163.8 Å²	163.8	79%	0.792	82%	0.824	S	S	*	*			trans	-53.4	124.7	163.9	-109.4	-84.6	0	0	0	110.3	Q45 T49	Q45-H47 PolarHBondContact O-N 2.82Å; H47-T49 PolarHBondContact O-N 2.94Å
48	R	25.1	Very low	25.1	Very low	238 Å²	238	159.9 Å²	159.9	90%	0.898	82%	0.819	S	S	*	*			trans	-60.9	122	165.7	-94.8	176.9	169.5	171.3	-2.6	109.9	V46	V46-R48 PolarHBondContact O-N 3.46Å
49	T	25	Very low	25	Very low	139 Å²	139	159.8 Å²	159.8	85%	0.853	82%	0.822	S	S	*	*			trans	-135.6	125.8	149.4	19.7	0	0	0	0	109.9	H47	H47-T49 PolarHBondContact O-N 2.94Å
50	L	24.2	Very low	24.6	Very low	176 Å²	176	158.1 Å²	158.1	92%	0.921	82%	0.823	S	S	*	*			trans	-67.4	132.4	178.4	-125.7	81	0	0	0	110.2
51	G	23.8	Very low	24.3	Very low	74 Å²	74	159 Å²	159	76%	0.763	83%	0.825	S	S	*	*			trans	-163	95.5	169.3	0	0	0	0	0	110.7
52	K	24	Very low	24	Very low	193 Å²	193	162.9 Å²	162.9	84%	0.839	83%	0.83	S	S	*	*			trans	-52.1	145.4	172.2	-70.2	171.4	172.9	176.2	0	110.6
53	W	22.6	Very low	23.7	Very low	260 Å²	260	162.6 Å²	162.6	99%	0.985	82%	0.823	S	S	*	*			trans	-157	140.3	132.9	-104.5	23.6	0	0	0	111.7
54	N	21.8	Very low	23.6	Very low	149 Å²	149	163 Å²	163	80%	0.797	82%	0.82	S	S	*	*			trans	-86.1	151	-173.3	-82.5	-21.3	0	0	0	112.2
55	T	24.1	Very low	23.6	Very low	123 Å²	123	160 Å²	160	76%	0.755	82%	0.818	S	S	*	*			trans	8.7	130.1	147.9	51.2	0	0	0	0	120.1
56	L	22.4	Very low	23.6	Very low	178 Å²	178	156.1 Å²	156.1	93%	0.932	82%	0.817	S	S	*	*				-158.2	147.7	121.3	-129.6	110.6	0	0	0	113.3
57	K	23.2	Very low	23.5	Very low	198 Å²	198	155.8 Å²	155.8	86%	0.861	82%	0.82	S	S	*	*			trans	-69.2	153.6	-176.2	-70.1	166.2	165.9	175.5	0	114.6
58	S	22.7	Very low	23.4	Very low	100 Å²	100	156.5 Å²	156.5	70%	0.699	82%	0.824	S	S	*	*				-174.6	120.1	107.9	70.5	0	0	0	0	110
59	Q	22.8	Very low	23.3	Very low	196 Å²	196	154.7 Å²	154.7	92%	0.916	83%	0.828	S	S	*	*				47.9	123.9	111.2	-71.1	178.5	-34.1	0	0	114.2
60	G	22.3	Very low	23.3	Very low	60 Å²	60	151.5 Å²	151.5	62%	0.619	82%	0.822	S	S	*	*			cis	156.2	143.2	7.3	0	0	0	0	0	107.1
61	F	21.6	Very low	23.3	Very low	219 Å²	219	152.5 Å²	152.5	96%	0.961	82%	0.822	S	S	*	*			trans	-170.9	91.2	144.6	-97.4	-68.1	0	0	0	107.7
62	F	22.8	Very low	23.4	Very low	175 Å²	175	155 Å²	155	77%	0.768	82%	0.823	S	S	*	*			trans	-78.4	163	153.2	-75.2	-96.1	0	0	0	107.6
63	H	25.5	Very low	23.6	Very low	154 Å²	154	151.7 Å²	151.7	71%	0.713	82%	0.821	S	S	*	*			cis	-150.6	146.3	29.1	-93.7	-77.1	0	0	0	107.2
64	E	24.6	Very low	23.7	Very low	163 Å²	163	149.1 Å²	149.1	76%	0.762	82%	0.817	S	S	*	*				70.8	127.4	63.7	-150.6	167.9	-155.4	0	0	114.5
65	A	23.8	Very low	23.9	Very low	94 Å²	94	146.8 Å²	146.8	78%	0.777	82%	0.818	S	S	*	*			trans	-85.6	146.9	-175.4	0	0	0	0	0	111.7
66	A	23.5	Very low	23.8	Very low	101 Å²	101	146.2 Å²	146.2	84%	0.835	82%	0.819	S	S	*	*				164.5	134.1	125	0	0	0	0	0	110.5
67	S	22.6	Very low	24	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	82%	0.817	S	S	*	*				144.8	147.5	123.6	-160.2	0	0	0	0	113.4
68	E	23.8	Very low	24	Very low	186 Å²	186	141.4 Å²	141.4	87%	0.869	81%	0.811	S	S	*	*			trans	109.9	120.4	151.1	-58	-160.3	152.3	0	0	121.1
69	M	22.4	Very low	24.2	Very low	199 Å²	199	144.3 Å²	144.3	98%	0.98	82%	0.819	S	S	*	*			trans	-49.6	155.4	165.6	-68.9	170.1	176.2	0	0	114.3
70	G	24	Very low	24.4	Very low	72 Å²	72	143.7 Å²	143.7	74%	0.742	82%	0.816	S	S	*	*			trans	175.5	87.8	163.3	0	0	0	0	0	115.8
71	Q	24.6	Very low	24.7	Very low	197 Å²	197	149 Å²	149	92%	0.921	83%	0.83	S	S	*	*			trans	51.5	126.3	139.1	-70	176	-7.9	0	0	123.1
72	V	26.5	Very low	25	Very low	127 Å²	127	147.7 Å²	147.7	77%	0.77	82%	0.824	S	S	*	*			trans	-69.4	149.1	162.9	173.7	0	0	0	0	111.9
73	P	27.8	Very low	25.2	Very low	124 Å²	124	145.3 Å²	145.3	81%	0.805	82%	0.824	S	S	*	*			trans	-109.6	125.8	148.8	9.8	10.2	0	0	0	111.9
74	K	25.4	Very low	25.3	Very low	206 Å²	206	147.7 Å²	147.7	90%	0.896	83%	0.832	S	S	*	*			trans	-76.8	132.2	159.3	-81.2	176.7	174.1	174.5	0	108.7
75	A	25.1	Very low	25.4	Very low	99 Å²	99	143.8 Å²	143.8	82%	0.818	84%	0.835	S	S	*	*			trans	-138.1	107.6	153.9	0	0	0	0	0	109
76	S	22.8	Very low	25.5	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	84%	0.836	S	S	*	*			trans	-78.6	130.7	166.9	50.1	0	0	0	0	109.7
77	L	25.4	Very low	25.9	Very low	170 Å²	170	146.5 Å²	146.5	89%	0.89	84%	0.837	S	S	*	*			trans	-141.3	103.6	158.5	-98.8	151.4	0	0	0	108.3
78	S	24.3	Very low	26.3	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	84%	0.836	S	S	*	*			trans	-69.9	134.3	161.5	51.4	0	0	0	0	109.6
79	N	25.7	Very low	26.9	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	84%	0.839	S	S	*	*			trans	-158.4	125.4	141	-104.7	-15.6	0	0	0	111.1
80	Q	28.3	Very low	27.4	Very low	183 Å²	183	139.4 Å²	139.4	86%	0.855	83%	0.825	S	S	*	*			trans	-68.2	139.4	164.9	-68.6	177.2	-12.7	0	0	109.1
81	N	28.2	Very low	27.7	Very low	172 Å²	172	145.1 Å²	145.1	92%	0.92	84%	0.835	S	S	*	*			trans	-155.4	151	142.7	-103.4	-25.4	0	0	0	112.7
82	K	27.2	Very low	28.1	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.826	83%	0.834	S	S	*	*			trans	-92.4	136.4	-155	-147.3	171.5	179.7	178.7	0	111.5
83	V	28.2	Very low	28.4	Very low	126 Å²	126	148.9 Å²	148.9	76%	0.764	84%	0.841	S	S	*	*			trans	47.7	121.4	140.1	-176	0	0	0	0	119.9
84	K	27.5	Very low	28.9	Very low	204 Å²	204	148.9 Å²	148.9	89%	0.887	84%	0.844	S	S	*	*				-171.2	139.5	116.9	-103.6	176.2	-176.3	179.8	0	111
85	G	26	Very low	29.5	Very low	81 Å²	81	149 Å²	149	84%	0.835	85%	0.845	S	S	*	*			trans	-76	161.3	-169.4	0	0	0	0	0	115.6
86	S	26.7	Very low	30.4	Very low	114 Å²	114	154.3 Å²	154.3	80%	0.797	85%	0.849	S	S	*	*			trans	-159	124.7	146.3	-173.9	0	0	0	0	108.1
87	T	32.4	Very low	31.3	Very low	137 Å²	137	153.2 Å²	153.2	84%	0.84	85%	0.847	S	S	*	*			trans	-49.4	127.3	169.3	25	0	0	0	0	112.2
88	S	29.2	Very low	32.3	Very low	109 Å²	109	151.7 Å²	151.7	76%	0.762	84%	0.844	S	S	*	*			trans	-147.9	117.3	148.1	61.3	0	0	0	0	111.6	A90	S88-A90 PolarHBondContact O-N 3.35Å
89	V	37.3	Very low	33.7	Very low	155 Å²	155	153.5 Å²	153.5	94%	0.939	85%	0.846	S	S	*	*			trans	-48.6	94.9	165.4	175.8	0	0	0	0	109.8
90	A	32.4	Very low	35.9	Very low	83 Å²	83	151.4 Å²	151.4	69%	0.686	84%	0.844	S	S	*	*			trans	-165.6	41.4	171.7	0	0	0	0	0	113.8	S88	S88-A90 PolarHBondContact O-N 3.35Å
91	M	30.4	Very low	38.7	Very low	193 Å²	193	145.1 Å²	145.1	95%	0.951	82%	0.818	S	S	*	*	S	Bend	trans	-130.5	56.6	169.4	-86.7	-176.8	77.3	0	0	111.2
92	E	33.1	Very low	41.8	Very low	191 Å²	191	146.1 Å²	146.1	89%	0.893	81%	0.814	S	S	*	*	S	Bend	trans	-148.2	25.3	166.6	-128.5	174.3	-162.5	0	0	113.4
93	K	33.6	Very low	45.1	Very low	212 Å²	212	138.4 Å²	138.4	92%	0.922	78%	0.783	S	S	*	*	S	Bend	trans	-129	26.1	175	-78.5	-170.8	178.4	177.4	0	114.3
94	S	38.2	Very low	48.5	Very low	123 Å²	123	133.4 Å²	133.4	86%	0.86	75%	0.75	S	S	*	*	S	Bend	trans	-127.1	53.9	169.4	-158.6	0	0	0	0	111.8
95	K	37.3	Very low	51.8	Low	210 Å²	210	127.5 Å²	127.5	91%	0.913	73%	0.728	S	S	*	*	S	Bend	trans	-137.2	30.4	163.4	-96.4	-170.1	179.1	179	0	111.1
96	K	43.4	Very low	55.1	Low	209 Å²	209	127.7 Å²	127.7	91%	0.909	71%	0.706	S	S	*	*			trans	-132.8	70.5	-179	-127.7	-176.1	-173.7	-177.3	0	111.3
97	A	41.8	Very low	58.4	Low	89 Å²	89	126.5 Å²	126.5	74%	0.736	69%	0.691	S	S	*	*			trans	-160.8	66.3	152.1	0	0	0	0	0	106.9	D99	A97-D99 PolarHBondContact O-N 3.12Å
98	V	47.7	Very low	61.4	Low	138 Å²	138	120.7 Å²	120.7	84%	0.836	66%	0.656	S	S	*	*			trans	-69	115.1	151.8	176.4	0	0	0	0	103.4	S100	V98-S100 PolarHBondContact O-N 3.05Å
99	D	53.6	Low	64.6	Low	142 Å²	142	117 Å²	117	76%	0.759	63%	0.63	S	S	*	*			trans	-45.4	101.8	174.6	-73.8	-39.7	0	0	0	109.3	A97 V101	A97-D99 PolarHBondContact O-N 3.12Å; D99-V101 VanDerWaalsContact C-N 3.26Å; D99-V101 PolarHBondContact O-N 3.47Å
100	S	72	Confident	67.4	Low	119 Å²	119	110.1 Å²	110.1	83%	0.832	59%	0.589	S	S	*	*			trans	-75.6	87.3	178.7	62.2	0	0	0	0	107.7	V98 K102	V98-S100 PolarHBondContact O-N 3.05Å; S100-K102 PolarHBondContact O-N 3.32Å
101	V	86.7	Confident	70.4	Confident	51 Å²	51	113.1 Å²	113.1	31%	0.309	59%	0.589	S	S	.	*			trans	-65.4	124.1	179.2	179.6	0	0	0	0	109.2	D99 V103 Y400	D99-V101 VanDerWaalsContact C-N 3.26Å; D99-V101 PolarHBondContact O-N 3.47Å; V101-V103 HydrophobicContact CG1-CG1 4.47Å; V101-V103 PolarHBondContact O-N 2.91Å; V101-Y400 HydrophobicContact CB-CG 4.42Å; V101-Y400 HydrophobicContact CG1-CD1 3.46Å; V101-Y400 VanDerWaalsContact CG1-CD1 3.46Å; V101-Y400 HydrophobicContact CG1-CD2 3.12Å; V101-Y400 HydrophobicContact CG1-CE1 4.03Å; V101-Y400 HydrophobicContact CG1-CE2 3.73Å; V101-Y400 HydrophobicContact CG1-CG 2.96Å
102	K	93.3	Very high	73.5	Confident	192 Å²	192	108.3 Å²	108.3	84%	0.835	57%	0.567	S	S	*	*			trans	-76	115.3	-179.9	-173.1	178.5	-179.5	178.3	0	110.4	S100	S100-K102 PolarHBondContact O-N 3.32Å
103	V	97.3	Very high	76.5	Confident	29 Å²	29	99.7 Å²	99.7	18%	0.176	53%	0.527	C	S	.	.			trans	-119	-178.1	172.7	-63	0	0	0	0	110.8	V101 D105 D396 I399	V101-V103 HydrophobicContact CG1-CG1 4.47Å; V101-V103 PolarHBondContact O-N 2.91Å; V103-D105 PolarHBondContact O-N 3.25Å; V103-D396 HydrophobicContact CG1-CB 4.05Å; V103-D396 VanDerWaalsContact CG1-O 3.24Å; V103-D396 WeakPolarHBondContact CG1-O 3.42Å; V103-D396 HydrophobicContact CG2-CB 4.1Å; V103-I399 HydrophobicContact CB-CB 4.37Å; V103-I399 HydrophobicContact CB-CG2 3.99Å; V103-I399 HydrophobicContact CG1-CB 3.96Å; V103-I399 HydrophobicContact CG1-CG2 3.94Å
104	W	97.9	Very high	79.5	Confident	21 Å²	21	92.4 Å²	92.4	8%	0.08	50%	0.498	C	S	.	.			trans	-55.6	130.3	177	-169	-89.7	0	0	0	111.6	L353 P354 M375 L382 K385 N386 K389	W104-L353 HydrophobicContact CB-CD1 4.25Å; W104-L353 HydrophobicContact CB-CD2 4.25Å; W104-L353 HydrophobicContact CD2-CD2 4.45Å; W104-L353 HydrophobicContact CG-CD2 4.06Å; W104-P354 HydrophobicContact CE3-CG 3.94Å; W104-P354 HydrophobicContact CZ3-CG 4.3Å; W104-M375 HydrophobicContact CH2-CE 3.78Å; W104-M375 HydrophobicContact CH2-SD 3.89Å; W104-M375 HydrophobicContact CZ3-CE 4.17Å; W104-M375 HydrophobicContact CZ3-SD 3.85Å; W104-L382 HydrophobicContact CH2-CD1 3.79Å; W104-L382 HydrophobicContact CZ2-CD1 3.57Å; W104-L382 HydrophobicContact CZ2-CG 4.33Å; W104-K385 HydrophobicContact CD2-CB 4Å; W104-K385 HydrophobicContact CD2-CD 4.28Å; W104-K385 HydrophobicContact CE3-CD 4.06Å; W104-K385 HydrophobicContact CG-CB 4.5Å; W104-K385 HydrophobicContact CH2-CB 4.14Å; W104-K385 HydrophobicContact CH2-CD 3.46Å; W104-K385 VanDerWaalsContact CH2-CD 3.46Å; W104-K385 HydrophobicContact CH2-CG 4.43Å; W104-K385 HydrophobicContact CZ2-CB 3.46Å; W104-K385 VanDerWaalsContact CZ2-CB 3.46Å; W104-K385 HydrophobicContact CZ2-CD 3.72Å; W104-K385 HydrophobicContact CZ2-CG 4.21Å; W104-K385 HydrophobicContact CZ3-CD 3.66Å; W104-N386 PolarHBondContact NE1-OD1 3.3Å; W104-K389 WeakPolarHBondContact O-CE 3.01Å
105	D	97.2	Very high	82.4	Confident	80 Å²	80	91.4 Å²	91.4	43%	0.428	49%	0.488	S	S	.	.			trans	-84.1	114.5	174.6	178.7	2.9	0	0	0	109.5	V103 D107 S108 N386	V103-D105 PolarHBondContact O-N 3.25Å; D105-D107 PolarHBondContact O-N 2.91Å; D105-D107 VanDerWaalsContact O-N 3.14Å; D105-D107 PolarHBondContact OD1-N 3.48Å; D105-S108 WeakPolarHBondContact O-CB 3.46Å; D105-S108 PolarHBondContact O-N 2.95Å; D105-S108 VanDerWaalsContact O-N 3.12Å; D105-S108 PolarHBondContact O-OG 2.92Å; D105-N386 PolarHBondContact O-OD1 2.99Å; D105-N386 VanDerWaalsContact O-OD1 3.13Å
106	K	95.7	Very high	85.3	Confident	85 Å²	85	87.2 Å²	87.2	37%	0.37	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.4	-179.9	68.3	179.4	-173.4	172.1	0	113.8	K142 N386 K389	K106-K142 PolarHBondContact O-NZ 3.39Å; K106-N386 VanDerWaalsContact O-CB 3.28Å; K106-N386 WeakPolarHBondContact O-CB 3.4Å; K106-N386 VanDerWaalsContact O-CG 3.26Å; K106-K389 HydrophobicContact CB-CB 4.07Å; K106-K389 HydrophobicContact CB-CG 3.75Å
107	D	95.3	Very high	87.9	Confident	88 Å²	88	77.4 Å²	77.4	47%	0.471	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.9	179.3	-61.4	-47.5	0	0	0	112.6	D105 S109 K142	D105-D107 PolarHBondContact O-N 2.91Å; D105-D107 VanDerWaalsContact O-N 3.14Å; D105-D107 PolarHBondContact OD1-N 3.48Å; D107-S109 PolarHBondContact O-N 2.97Å; D107-K142 IonicContact OD1-NZ 2.96Å; D107-K142 PolarHBondContact OD1-NZ 3.39Å
108	S	96.3	Very high	90.6	Very high	15 Å²	15	75.6 Å²	75.6	11%	0.105	40%	0.4	C	S	.	.			trans	-53.9	135.2	175	-61.6	0	0	0	0	112	D105 N386	D105-S108 WeakPolarHBondContact O-CB 3.46Å; D105-S108 PolarHBondContact O-N 2.95Å; D105-S108 VanDerWaalsContact O-N 3.12Å; D105-S108 PolarHBondContact O-OG 2.92Å; S108-N386 WeakPolarHBondContact CB-OD1 3.34Å; S108-N386 PolarHBondContact O-ND2 3.14Å
109	S	96.6	Very high	93	Very high	33 Å²	33	75.8 Å²	75.8	23%	0.231	39%	0.39	C	S	.	.			trans	-126.8	175.8	-179.3	71.4	0	0	0	0	111.1	D107 Q111 N112	D107-S109 PolarHBondContact O-N 2.97Å; S109-Q111 PolarHBondContact O-N 2.93Å; S109-Q111 VanDerWaalsContact O-N 3.1Å; S109-Q111 PolarHBondContact OG-N 2.79Å; S109-N112 PolarHBondContact N-OD1 3.43Å; S109-N112 WeakPolarHBondContact O-CB 3.09Å; S109-N112 PolarHBondContact O-N 2.98Å; S109-N112 PolarHBondContact O-OD1 2.92Å; S109-N112 PolarHBondContact OG-OD1 3.39Å
110	S	95.3	Very high	95.1	Very high	10 Å²	10	70.7 Å²	70.7	7%	0.07	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-55.3	-26.7	172	62.9	0	0	0	0	113.6	N112 L113 Q118 E323	S110-N112 PolarHBondContact O-N 2.83Å; S110-L113 WeakPolarHBondContact O-CB 3.35Å; S110-L113 PolarHBondContact O-N 3.26Å; S110-Q118 VanDerWaalsContact O-CG 3.31Å; S110-Q118 WeakPolarHBondContact O-CG 3.44Å; S110-Q118 PolarHBondContact O-NE2 3.38Å; S110-E323 WeakPolarHBondContact CA-OE1 3.39Å; S110-E323 WeakPolarHBondContact CB-OE1 3.23Å; S110-E323 PolarHBondContact N-OE1 2.68Å; S110-E323 VanDerWaalsContact OG-CD 3.32Å; S110-E323 PolarHBondContact OG-OE1 2.83Å; S110-E323 VanDerWaalsContact OG-OE1 3.13Å; S110-E323 PolarHBondContact OG-OE2 3.33Å
111	Q	96.1	Very high	96.3	Very high	145 Å²	145	65.9 Å²	65.9	68%	0.678	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-68.3	-23.6	176.6	-58.5	-57.4	-30.2	0	0	112.7	S109 L113	S109-Q111 PolarHBondContact O-N 2.93Å; S109-Q111 VanDerWaalsContact O-N 3.1Å; S109-Q111 PolarHBondContact OG-N 2.79Å; Q111-L113 VanDerWaalsContact C-N 3.32Å
112	N	95.7	Very high	96.8	Very high	92 Å²	92	70.1 Å²	70.1	49%	0.492	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-83.4	-8	177.3	-52.8	94.5	0	0	0	112.9	S109 S110	S109-N112 PolarHBondContact N-OD1 3.43Å; S109-N112 WeakPolarHBondContact O-CB 3.09Å; S109-N112 PolarHBondContact O-N 2.98Å; S109-N112 PolarHBondContact O-OD1 2.92Å; S109-N112 PolarHBondContact OG-OD1 3.39Å; S110-N112 PolarHBondContact O-N 2.83Å
113	L	96.3	Very high	97	Very high	10 Å²	10	65 Å²	65	5%	0.052	32%	0.323	C	S	.	.	S	Bend	trans	-79.3	151.5	176.8	-66.3	175	0	0	0	111.9	S110 Q111 L117 Q118 M375 L382	S110-L113 WeakPolarHBondContact O-CB 3.35Å; S110-L113 PolarHBondContact O-N 3.26Å; Q111-L113 VanDerWaalsContact C-N 3.32Å; L113-L117 HydrophobicContact CB-CB 4.22Å; L113-L117 HydrophobicContact CD1-CB 4.4Å; L113-L117 HydrophobicContact CD2-CB 4.49Å; L113-L117 HydrophobicContact CD2-CD1 4.4Å; L113-Q118 HydrophobicContact CB-CG 3.83Å; L113-Q118 PolarHBondContact O-NE2 3.11Å; L113-Q118 VanDerWaalsContact O-NE2 3.15Å; L113-M375 HydrophobicContact CD2-CB 3.96Å; L113-M375 HydrophobicContact CD2-CE 4.06Å; L113-L382 HydrophobicContact CD1-CD2 4.45Å; L113-L382 HydrophobicContact CD2-CD1 4.05Å; L113-L382 HydrophobicContact CD2-CD2 4.34Å; L113-L382 HydrophobicContact CG-CD2 4.27Å
114	I	96.9	Very high	97.1	Very high	60 Å²	60	66.5 Å²	66.5	31%	0.308	33%	0.326	S	S	.	.			trans	-62.9	150.2	169.8	63.8	172.1	0	0	0	110.8	R116 L117 Q118	I114-R116 HydrophobicContact CD1-CB 4.34Å; I114-R116 HydrophobicContact CG1-CB 4.47Å; I114-R116 PolarHBondContact O-N 2.67Å; I114-L117 HydrophobicContact CD1-CD1 4.26Å; I114-L117 HydrophobicContact CD1-CG 4.05Å; I114-L117 HydrophobicContact CG1-CB 4.02Å; I114-L117 HydrophobicContact CG1-CD1 3.92Å; I114-L117 HydrophobicContact CG1-CG 3.67Å; I114-L117 PolarHBondContact O-N 3.18Å; I114-Q118 PolarHBondContact O-N 2.83Å
115	P	98.1	Very high	97.1	Very high	101 Å²	101	68.1 Å²	68.1	66%	0.656	34%	0.336	S	S	*	.	H	α-helix	trans	-53.5	-36.8	-174.6	-30.1	35.7	0	0	0	114.6	L117 Q118 K119	P115-L117 PolarHBondContact O-N 3.24Å; P115-Q118 PolarHBondContact O-N 2.89Å; P115-K119 PolarHBondContact O-N 3.44Å
116	R	97.8	Very high	97.1	Very high	123 Å²	123	69.3 Å²	69.3	46%	0.464	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-48	174.6	-173.3	-174.8	70.9	102.1	-4.1	111.6	I114 K119 V120 D370	I114-R116 HydrophobicContact CD1-CB 4.34Å; I114-R116 HydrophobicContact CG1-CB 4.47Å; I114-R116 PolarHBondContact O-N 2.67Å; R116-K119 PolarHBondContact O-N 2.75Å; R116-V120 WeakPolarHBondContact O-CG2 3.26Å; R116-V120 PolarHBondContact O-N 3.45Å; R116-D370 IonicContact CZ-OD1 2.64Å; R116-D370 IonicContact NH1-OD1 2.82Å; R116-D370 IonicContact NH2-OD1 2.92Å; R116-D370 PolarHBondContact NH2-OD1 3.39Å
117	L	97.9	Very high	97.2	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-74.8	-31.1	-177.6	-65.5	-176.5	0	0	0	112.3	L113 I114 P115 K119 V120 R121 A372 M375	L113-L117 HydrophobicContact CB-CB 4.22Å; L113-L117 HydrophobicContact CD1-CB 4.4Å; L113-L117 HydrophobicContact CD2-CB 4.49Å; L113-L117 HydrophobicContact CD2-CD1 4.4Å; I114-L117 HydrophobicContact CD1-CD1 4.26Å; I114-L117 HydrophobicContact CD1-CG 4.05Å; I114-L117 HydrophobicContact CG1-CB 4.02Å; I114-L117 HydrophobicContact CG1-CD1 3.92Å; I114-L117 HydrophobicContact CG1-CG 3.67Å; I114-L117 PolarHBondContact O-N 3.18Å; P115-L117 PolarHBondContact O-N 3.24Å; L117-K119 VanDerWaalsContact C-N 3.31Å; L117-K119 PolarHBondContact O-N 2.93Å; L117-V120 PolarHBondContact O-N 2.95Å; L117-R121 WeakPolarHBondContact O-CB 3.18Å; L117-R121 PolarHBondContact O-N 3.29Å; L117-A372 HydrophobicContact CD2-CB 3.84Å; L117-M375 HydrophobicContact CD1-CB 3.68Å; L117-M375 HydrophobicContact CD1-CG 4.38Å
118	Q	98.1	Very high	97.3	Very high	51 Å²	51	68.7 Å²	68.7	24%	0.238	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-44.5	169.1	-66.5	179.6	-17.5	0	0	111.4	S110 L113 I114 P115 R121 K122	S110-Q118 VanDerWaalsContact O-CG 3.31Å; S110-Q118 WeakPolarHBondContact O-CG 3.44Å; S110-Q118 PolarHBondContact O-NE2 3.38Å; L113-Q118 HydrophobicContact CB-CG 3.83Å; L113-Q118 PolarHBondContact O-NE2 3.11Å; L113-Q118 VanDerWaalsContact O-NE2 3.15Å; I114-Q118 PolarHBondContact O-N 2.83Å; P115-Q118 PolarHBondContact O-N 2.89Å; Q118-R121 PolarHBondContact O-N 3.38Å; Q118-K122 WeakPolarHBondContact O-CG 3.23Å; Q118-K122 PolarHBondContact O-N 3.02Å
119	K	98.1	Very high	97.4	Very high	142 Å²	142	73.1 Å²	73.1	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-64.8	-45.6	175.6	-173.5	176.9	-178.7	178.5	0	111.8	P115 R116 L117 R121 K122 N123	P115-K119 PolarHBondContact O-N 3.44Å; R116-K119 PolarHBondContact O-N 2.75Å; L117-K119 VanDerWaalsContact C-N 3.31Å; L117-K119 PolarHBondContact O-N 2.93Å; K119-R121 VanDerWaalsContact C-N 3.32Å; K119-R121 PolarHBondContact O-N 2.9Å; K119-K122 PolarHBondContact O-N 2.87Å; K119-N123 VanDerWaalsContact O-CG 3.3Å; K119-N123 PolarHBondContact O-N 2.88Å; K119-N123 PolarHBondContact O-OD1 3.17Å
120	V	98.1	Very high	97.4	Very high	34 Å²	34	72 Å²	72	21%	0.206	36%	0.357	C	S	.	.	H	α-helix	trans	-57.6	-45.6	176.9	170.2	0	0	0	0	111.1	R116 L117 K122 N123 Y124 A377	R116-V120 WeakPolarHBondContact O-CG2 3.26Å; R116-V120 PolarHBondContact O-N 3.45Å; L117-V120 PolarHBondContact O-N 2.95Å; V120-K122 PolarHBondContact O-N 2.01Å; V120-N123 WeakPolarHBondContact O-CB 3.26Å; V120-N123 PolarHBondContact O-N 3.37Å; V120-Y124 HydrophobicContact CG1-CD2 3.75Å; V120-Y124 HydrophobicContact CG1-CE2 3.56Å; V120-Y124 WeakPolarHBondContact O-CD2 3.46Å; V120-Y124 PolarHBondContact O-N 2.69Å; V120-A377 HydrophobicContact CG1-CB 3.77Å
121	R	97.3	Very high	97.5	Very high	19 Å²	19	77.2 Å²	77.2	7%	0.072	38%	0.384	C	S	.	.	H	α-helix	trans	-59.9	-46.4	175.7	177	175.9	167.5	-92.8	15.2	112.1	L117 Q118 K119 N123 Y124 L125 E323 H324 Q326	L117-R121 WeakPolarHBondContact O-CB 3.18Å; L117-R121 PolarHBondContact O-N 3.29Å; Q118-R121 PolarHBondContact O-N 3.38Å; K119-R121 VanDerWaalsContact C-N 3.32Å; K119-R121 PolarHBondContact O-N 2.9Å; R121-N123 VanDerWaalsContact C-N 3.25Å; R121-N123 PolarHBondContact O-N 3.5Å; R121-Y124 PolarHBondContact O-N 3.49Å; R121-L125 HydrophobicContact CG-CD1 4.02Å; R121-L125 WeakPolarHBondContact O-CG 3.24Å; R121-L125 PolarHBondContact O-N 3.47Å; R121-E323 IonicContact CZ-OE1 3.69Å; R121-E323 IonicContact NE-OE1 3.82Å; R121-E323 IonicContact NH2-OE1 3.82Å; R121-E323 PolarHBondContact NH2-OE1 2.52Å; R121-E323 IonicContact NH2-OE2 2.68Å; R121-E323 PolarHBondContact NH2-OE2 3.24Å; R121-H324 VanDerWaalsContact CZ-O 3.3Å; R121-H324 PolarHBondContact NH2-O 3.4Å; R121-Q326 HydrophobicContact CG-CG 4.2Å
122	K	97.6	Very high	97.5	Very high	140 Å²	140	71 Å²	71	61%	0.609	36%	0.356	S	S	*	.	H	α-helix	trans	-57.7	-39.5	176	-73.7	177.8	-179	-178.2	0	111.8	Q118 K119 V120 L125 S126	Q118-K122 WeakPolarHBondContact O-CG 3.23Å; Q118-K122 PolarHBondContact O-N 3.02Å; K119-K122 PolarHBondContact O-N 2.87Å; V120-K122 PolarHBondContact O-N 2.01Å; K122-L125 PolarHBondContact O-N 3.35Å; K122-S126 WeakPolarHBondContact O-CB 3.44Å; K122-S126 PolarHBondContact O-N 2.88Å
123	N	98.3	Very high	97.4	Very high	83 Å²	83	71.7 Å²	71.7	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-45.5	176.3	-65.5	-7.4	0	0	0	111.6	K119 V120 R121 S126 M127	K119-N123 VanDerWaalsContact O-CG 3.3Å; K119-N123 PolarHBondContact O-N 2.88Å; K119-N123 PolarHBondContact O-OD1 3.17Å; V120-N123 WeakPolarHBondContact O-CB 3.26Å; V120-N123 PolarHBondContact O-N 3.37Å; R121-N123 VanDerWaalsContact C-N 3.25Å; R121-N123 PolarHBondContact O-N 3.5Å; N123-S126 PolarHBondContact O-N 2.83Å; N123-M127 WeakPolarHBondContact O-CB 3.36Å; N123-M127 VanDerWaalsContact O-CG 3.32Å; N123-M127 WeakPolarHBondContact O-CG 3.38Å; N123-M127 PolarHBondContact O-N 3.44Å
124	Y	98.3	Very high	97	Very high	61 Å²	61	73 Å²	73	24%	0.239	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-40.3	177.4	-79.7	-65.9	0	0	0	112.9	V120 R121 S126 M127 N128 P327 A377 Y378	V120-Y124 HydrophobicContact CG1-CD2 3.75Å; V120-Y124 HydrophobicContact CG1-CE2 3.56Å; V120-Y124 WeakPolarHBondContact O-CD2 3.46Å; V120-Y124 PolarHBondContact O-N 2.69Å; R121-Y124 PolarHBondContact O-N 3.49Å; Y124-S126 VanDerWaalsContact C-N 3.31Å; Y124-S126 PolarHBondContact O-N 2.98Å; Y124-M127 HydrophobicContact CD1-CE 3.22Å; Y124-M127 HydrophobicContact CE1-CE 3.46Å; Y124-M127 VanDerWaalsContact CE1-CE 3.46Å; Y124-M127 HydrophobicContact CG-CE 3.82Å; Y124-M127 PolarHBondContact O-N 3.39Å; Y124-N128 PolarHBondContact O-N 3.37Å; Y124-N128 VanDerWaalsContact O-N 3.14Å; Y124-P327 WeakPolarHBondContact O-CG 3.42Å; Y124-A377 WeakPolarHBondContact CD2-O 3.33Å; Y124-Y378 HydrophobicContact CD1-CD2 4.39Å; Y124-Y378 AromaticContact CE1-CD2 3.64Å; Y124-Y378 HydrophobicContact CE1-CD2 3.64Å; Y124-Y378 HydrophobicContact CE1-CE2 4.49Å; Y124-Y378 HydrophobicContact CE1-CG 4.35Å; Y124-Y378 AromaticContact CZ-CD2 3.96Å
125	L	97.3	Very high	95.8	Very high	55 Å²	55	75.7 Å²	75.7	29%	0.288	39%	0.392	S	S	.	.	H	α-helix	trans	-57.1	-44.9	171.6	-76.3	164	0	0	0	111.6	R121 K122 H324 I325	R121-L125 HydrophobicContact CG-CD1 4.02Å; R121-L125 WeakPolarHBondContact O-CG 3.24Å; R121-L125 PolarHBondContact O-N 3.47Å; K122-L125 PolarHBondContact O-N 3.35Å; L125-H324 HydrophobicContact CD2-CB 3.89Å; L125-I325 VanDerWaalsContact CD2-O 3.3Å; L125-I325 WeakPolarHBondContact CD2-O 3.11Å
126	S	97.8	Very high	94.6	Very high	105 Å²	105	76.1 Å²	76.1	73%	0.734	39%	0.386	S	S	*	.	H	α-helix	trans	-70.8	-34.8	179.3	-176.3	0	0	0	0	113.4	K122 N123 Y124	K122-S126 WeakPolarHBondContact O-CB 3.44Å; K122-S126 PolarHBondContact O-N 2.88Å; N123-S126 PolarHBondContact O-N 2.83Å; Y124-S126 VanDerWaalsContact C-N 3.31Å; Y124-S126 PolarHBondContact O-N 2.98Å
127	M	98.1	Very high	92.9	Very high	113 Å²	113	80.1 Å²	80.1	56%	0.557	41%	0.407	S	S	*	.	H	α-helix	trans	-71.1	-35.6	-178.7	-76.6	-175.4	-61.1	0	0	112.2	N123 Y124 K129	N123-M127 WeakPolarHBondContact O-CB 3.36Å; N123-M127 VanDerWaalsContact O-CG 3.32Å; N123-M127 WeakPolarHBondContact O-CG 3.38Å; N123-M127 PolarHBondContact O-N 3.44Å; Y124-M127 HydrophobicContact CD1-CE 3.22Å; Y124-M127 HydrophobicContact CE1-CE 3.46Å; Y124-M127 VanDerWaalsContact CE1-CE 3.46Å; Y124-M127 HydrophobicContact CG-CE 3.82Å; Y124-M127 PolarHBondContact O-N 3.39Å; M127-K129 PolarHBondContact O-N 2.8Å
128	N	97.6	Very high	91.3	Very high	47 Å²	47	85.7 Å²	85.7	25%	0.251	43%	0.427	S	S	.	.			trans	38.3	51.5	-178.6	-164.6	6.9	0	0	0	113.3	Y124 Y130 N131 V132 P327	Y124-N128 PolarHBondContact O-N 3.37Å; Y124-N128 VanDerWaalsContact O-N 3.14Å; N128-Y130 PolarHBondContact O-N 2.89Å; N128-N131 PolarHBondContact O-N 2.82Å; N128-V132 PolarHBondContact ND2-N 2.64Å; N128-V132 PolarHBondContact ND2-O 3.18Å; N128-V132 PolarHBondContact OD1-N 3.05Å; N128-P327 HydrophobicContact CB-CG 4.3Å; N128-P327 WeakPolarHBondContact OD1-CB 3.33Å
129	K	97.9	Very high	89.7	Confident	108 Å²	108	86.5 Å²	86.5	47%	0.47	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-33.4	-168.9	177.1	-178.4	171.5	-167.9	0	113.2	M127 D283	M127-K129 PolarHBondContact O-N 2.8Å; K129-D283 WeakPolarHBondContact CE-OD1 3.36Å; K129-D283 IonicContact NZ-OD1 3.61Å; K129-D283 PolarHBondContact NZ-OD1 2.97Å; K129-D283 IonicContact NZ-OD2 2.84Å; K129-D283 PolarHBondContact NZ-OD2 3.44Å
130	Y	97.3	Very high	88.3	Confident	10 Å²	10	84.8 Å²	84.8	4%	0.039	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	10.5	-174.4	-57.9	-77.1	0	0	0	113.5	N128 V132 P268 A269 Y271 D283 W311 P327 Y378	N128-Y130 PolarHBondContact O-N 2.89Å; Y130-V132 VanDerWaalsContact C-N 3.31Å; Y130-V132 PolarHBondContact O-N 3.3Å; Y130-P268 HydrophobicContact CD1-CB 4.35Å; Y130-P268 HydrophobicContact CE1-CB 3.44Å; Y130-P268 VanDerWaalsContact CE1-CB 3.44Å; Y130-P268 WeakPolarHBondContact OH-CB 3.34Å; Y130-A269 WeakPolarHBondContact CD1-O 3.19Å; Y130-Y271 VanDerWaalsContact O-CB 3.31Å; Y130-Y271 WeakPolarHBondContact O-CB 3.37Å; Y130-Y271 PolarHBondContact O-N 3.28Å; Y130-D283 PolarHBondContact OH-OD2 3.03Å; Y130-W311 HydrophobicContact CD1-CZ2 4.21Å; Y130-W311 HydrophobicContact CD2-CH2 4.02Å; Y130-W311 HydrophobicContact CD2-CZ2 4.17Å; Y130-W311 AromaticContact CG-CH2 3.95Å; Y130-W311 HydrophobicContact CG-CH2 3.95Å; Y130-W311 AromaticContact CG-CZ2 3.71Å; Y130-W311 HydrophobicContact CG-CZ2 3.71Å; Y130-P327 WeakPolarHBondContact CD2-O 3.37Å; Y130-Y378 HydrophobicContact CE2-CE2 4.41Å; Y130-Y378 WeakPolarHBondContact CE2-OH 3.49Å; Y130-Y378 PolarHBondContact OH-OH 2.78Å
131	N	96.8	Very high	87.4	Confident	120 Å²	120	86.2 Å²	86.2	64%	0.642	47%	0.466	S	S	*	.			trans	54.7	43.9	-179.4	-61.1	-22.5	0	0	0	113.2	N128 T133	N128-N131 PolarHBondContact O-N 2.82Å; N131-T133 PolarHBondContact O-N 3.04Å
132	V	96.9	Very high	86.8	Confident	13 Å²	13	88 Å²	88	8%	0.079	48%	0.475	C	S	.	.			trans	-66.6	123.5	177.9	-178.5	0	0	0	0	109.5	N128 Y130 Y271 W311 W314 P327	N128-V132 PolarHBondContact ND2-N 2.64Å; N128-V132 PolarHBondContact ND2-O 3.18Å; N128-V132 PolarHBondContact OD1-N 3.05Å; Y130-V132 VanDerWaalsContact C-N 3.31Å; Y130-V132 PolarHBondContact O-N 3.3Å; V132-Y271 HydrophobicContact CB-CD2 4.35Å; V132-Y271 HydrophobicContact CB-CG 4.22Å; V132-Y271 HydrophobicContact CG1-CD1 4.41Å; V132-Y271 HydrophobicContact CG1-CD2 4Å; V132-Y271 HydrophobicContact CG1-CE1 4.41Å; V132-Y271 HydrophobicContact CG1-CE2 4Å; V132-Y271 HydrophobicContact CG1-CG 4.2Å; V132-Y271 HydrophobicContact CG2-CD2 4.01Å; V132-Y271 HydrophobicContact CG2-CG 4.08Å; V132-W311 HydrophobicContact CG2-CE3 4.5Å; V132-W311 HydrophobicContact CG2-CH2 3.76Å; V132-W311 HydrophobicContact CG2-CZ3 3.68Å; V132-W314 HydrophobicContact CG1-CE3 4.26Å; V132-W314 HydrophobicContact CG1-CH2 3.41Å; V132-W314 VanDerWaalsContact CG1-CH2 3.41Å; V132-W314 HydrophobicContact CG1-CZ2 3.86Å; V132-W314 HydrophobicContact CG1-CZ3 3.62Å; V132-P327 HydrophobicContact CB-CB 3.76Å; V132-P327 HydrophobicContact CG1-CB 4.44Å; V132-P327 HydrophobicContact CG2-CB 3.69Å
133	T	93.4	Very high	86.6	Confident	107 Å²	107	83.9 Å²	83.9	66%	0.656	46%	0.459	S	S	*	.			trans	-123.5	89.4	175.7	55.7	0	0	0	0	109.1	N131	N131-T133 PolarHBondContact O-N 3.04Å
134	Y	88.1	Confident	86.5	Confident	37 Å²	37	81.9 Å²	81.9	15%	0.145	45%	0.451	C	S	.	.			trans	-96.2	113.6	176.8	-176.7	-89.6	0	0	0	109.7	E136 W314 Q318 E319	Y134-E136 HydrophobicContact CE1-CB 4.13Å; Y134-E136 WeakPolarHBondContact CE1-O 3.49Å; Y134-E136 HydrophobicContact CE2-CB 4.22Å; Y134-W314 AromaticContact CD2-CZ3 3.91Å; Y134-W314 HydrophobicContact CD2-CZ3 3.91Å; Y134-W314 HydrophobicContact CG-CH2 4.47Å; Y134-W314 HydrophobicContact CG-CZ3 4.2Å; Y134-Q318 HydrophobicContact CD1-CG 3.73Å; Y134-Q318 HydrophobicContact CD2-CB 4.39Å; Y134-Q318 HydrophobicContact CD2-CG 3.88Å; Y134-Q318 HydrophobicContact CE1-CG 3.79Å; Y134-Q318 HydrophobicContact CE2-CB 4.27Å; Y134-Q318 HydrophobicContact CE2-CG 3.91Å; Y134-Q318 HydrophobicContact CG-CG 3.77Å; Y134-E319 HydrophobicContact CE2-CG 4.18Å; Y134-E319 WeakPolarHBondContact OH-CG 3.45Å
135	S	71.6	Confident	86.4	Confident	117 Å²	117	81 Å²	81	82%	0.818	45%	0.453	S	S	*	.			trans	-114.9	-1.5	-174.3	56.3	0	0	0	0	114.1
136	E	71.5	Confident	86.5	Confident	111 Å²	111	83.8 Å²	83.8	52%	0.519	46%	0.464	S	S	.	.	S	Bend	trans	-71.4	147.8	-177.3	-64.8	-167.2	-178.7	0	0	112.6	Y134 R138	Y134-E136 HydrophobicContact CE1-CB 4.13Å; Y134-E136 WeakPolarHBondContact CE1-O 3.49Å; Y134-E136 HydrophobicContact CE2-CB 4.22Å; E136-R138 PolarHBondContact O-N 3.47Å; E136-R138 VanDerWaalsContact O-N 3.16Å
137	K	62.1	Low	86.4	Confident	207 Å²	207	83.2 Å²	83.2	90%	0.9	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-62.4	118.3	177.4	-75.4	-177.3	179.5	177.4	0	108.7	S139	K137-S139 PolarHBondContact O-N 3.01Å
138	R	65.5	Low	86.4	Confident	120 Å²	120	78 Å²	78	45%	0.453	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-56.7	126.1	173.2	-64.7	-171.1	-167.9	163.9	9.4	109.2	E136 A140 L322 H324	E136-R138 PolarHBondContact O-N 3.47Å; E136-R138 VanDerWaalsContact O-N 3.16Å; R138-A140 PolarHBondContact O-N 3.2Å; R138-L322 PolarHBondContact NH1-O 3.32Å; R138-H324 PolarHBondContact NH2-CD2 3.11Å; R138-H324 PolarHBondContact NH2-CE1 3.42Å; R138-H324 VanDerWaalsContact NH2-CE1 3.28Å; R138-H324 PolarHBondContact NH2-NE2 2.75Å
139	S	64.6	Low	86.4	Confident	68 Å²	68	76.4 Å²	76.4	48%	0.476	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-62.8	135	169.7	-173.6	0	0	0	0	108.8	K137 A141	K137-S139 PolarHBondContact O-N 3.01Å; S139-A141 WeakPolarHBondContact CB-O 3.34Å; S139-A141 PolarHBondContact O-N 3.12Å; S139-A141 PolarHBondContact OG-O 2.87Å
140	A	68.6	Low	86.4	Confident	106 Å²	106	71.9 Å²	71.9	88%	0.876	40%	0.401	S	S	*	.	S	Bend	trans	-67.8	-16.7	178.1	0	0	0	0	0	112.4	R138	R138-A140 PolarHBondContact O-N 3.2Å
141	A	79.1	Confident	86.4	Confident	63 Å²	63	72.9 Å²	72.9	52%	0.521	41%	0.406	S	S	.	.	S	Bend	trans	-138.3	149.7	-179.5	0	0	0	0	0	111.4	S139	S139-A141 WeakPolarHBondContact CB-O 3.34Å; S139-A141 PolarHBondContact O-N 3.12Å; S139-A141 PolarHBondContact OG-O 2.87Å
142	K	85.1	Confident	86.5	Confident	58 Å²	58	67.2 Å²	67.2	25%	0.252	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-65.7	145.7	170.2	-66.9	178.9	177.4	172.6	0	109.9	K106 D107	K106-K142 PolarHBondContact O-NZ 3.39Å; D107-K142 IonicContact OD1-NZ 2.96Å; D107-K142 PolarHBondContact OD1-NZ 3.39Å
143	L	93.3	Very high	86.5	Confident	52 Å²	52	70.4 Å²	70.4	27%	0.272	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-61.7	154.7	171.5	-66.6	177.7	0	0	0	111.1	N147 L148 Q151 N320 H390	L143-N147 HydrophobicContact CB-CB 4.22Å; L143-N147 HydrophobicContact CD2-CB 4.43Å; L143-L148 HydrophobicContact CB-CB 4.17Å; L143-L148 HydrophobicContact CD1-CD1 4.47Å; L143-Q151 HydrophobicContact CD1-CB 4.3Å; L143-N320 WeakPolarHBondContact CG-OD1 3.41Å; L143-N320 PolarHBondContact N-OD1 3.02Å; L143-H390 PolarHBondContact O-NE2 2.83Å
144	S	95.9	Very high	86.8	Confident	42 Å²	42	70.1 Å²	70.1	29%	0.294	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-62	155.8	166.3	82.6	0	0	0	0	109.8	E146 N147 L148	S144-E146 VanDerWaalsContact CB-OE2 3.23Å; S144-E146 WeakPolarHBondContact CB-OE2 3.48Å; S144-E146 PolarHBondContact O-N 3.15Å; S144-E146 PolarHBondContact OG-OE2 2.87Å; S144-N147 PolarHBondContact O-N 3.2Å; S144-N147 PolarHBondContact OG-N 3.46Å; S144-L148 WeakPolarHBondContact O-CB 3.49Å; S144-L148 PolarHBondContact O-N 2.91Å
145	P	97.1	Very high	87.2	Confident	42 Å²	42	72.8 Å²	72.8	27%	0.273	39%	0.391	S	S	.	.	H	α-helix	trans	-52.6	-39.8	178	-27.8	36.7	0	0	0	113.3	L148 L149 H390 I391	P145-L148 PolarHBondContact O-N 3.33Å; P145-L149 WeakPolarHBondContact O-CB 3.49Å; P145-L149 VanDerWaalsContact O-CG 3.26Å; P145-L149 WeakPolarHBondContact O-CG 3.39Å; P145-L149 PolarHBondContact O-N 2.86Å; P145-H390 WeakPolarHBondContact CG-O 3.38Å; P145-I391 HydrophobicContact CB-CG2 4.5Å
146	E	97.6	Very high	88.5	Confident	113 Å²	113	67.6 Å²	67.6	53%	0.528	35%	0.354	S	S	.	.	H	α-helix	trans	-66.3	-50.1	-179.7	-52.8	72.6	-156.2	0	0	111	S144 L148 L149 C150	S144-E146 VanDerWaalsContact CB-OE2 3.23Å; S144-E146 WeakPolarHBondContact CB-OE2 3.48Å; S144-E146 PolarHBondContact O-N 3.15Å; S144-E146 PolarHBondContact OG-OE2 2.87Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.11Å; E146-L149 WeakPolarHBondContact O-CB 3.33Å; E146-L149 PolarHBondContact O-N 3.43Å; E146-C150 PolarHBondContact O-N 3.46Å; E146-C150 PolarHBondContact O-SG 3.16Å
147	N	96.9	Very high	89.7	Confident	94 Å²	94	66.7 Å²	66.7	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-64.1	-33.9	178.1	-73.4	-13.9	0	0	0	112	L143 S144 C150 Q151	L143-N147 HydrophobicContact CB-CB 4.22Å; L143-N147 HydrophobicContact CD2-CB 4.43Å; S144-N147 PolarHBondContact O-N 3.2Å; S144-N147 PolarHBondContact OG-N 3.46Å; N147-C150 WeakPolarHBondContact O-CB 3.36Å; N147-C150 PolarHBondContact O-N 3.35Å; N147-Q151 WeakPolarHBondContact O-CB 3.35Å; N147-Q151 PolarHBondContact O-N 2.96Å
148	L	97.1	Very high	91.3	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-69.4	-40.3	175.5	-176	52.8	0	0	0	111.9	L143 S144 P145 E146 C150 Q151 L152 I316 N320 L387 I391	L143-L148 HydrophobicContact CB-CB 4.17Å; L143-L148 HydrophobicContact CD1-CD1 4.47Å; S144-L148 WeakPolarHBondContact O-CB 3.49Å; S144-L148 PolarHBondContact O-N 2.91Å; P145-L148 PolarHBondContact O-N 3.33Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.11Å; L148-C150 VanDerWaalsContact C-N 3.33Å; L148-Q151 PolarHBondContact O-N 3.29Å; L148-L152 HydrophobicContact CG-CD1 4.37Å; L148-L152 WeakPolarHBondContact O-CG 3.42Å; L148-L152 PolarHBondContact O-N 3.47Å; L148-I316 HydrophobicContact CD1-CG2 3.72Å; L148-N320 WeakPolarHBondContact CD1-ND2 3.28Å; L148-L387 HydrophobicContact CD1-CD1 4.33Å; L148-L387 HydrophobicContact CD2-CD1 4.14Å; L148-L387 HydrophobicContact CD2-CG 3.9Å; L148-I391 HydrophobicContact CB-CG2 4.31Å; L148-I391 HydrophobicContact CD2-CG2 3.91Å; L148-I391 HydrophobicContact CG-CG2 4.15Å
149	L	98.5	Very high	92.7	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-42	173.4	-74.6	167.7	0	0	0	111.4	P145 E146 L152 R153 M341 I391 P408 V413	P145-L149 WeakPolarHBondContact O-CB 3.49Å; P145-L149 VanDerWaalsContact O-CG 3.26Å; P145-L149 WeakPolarHBondContact O-CG 3.39Å; P145-L149 PolarHBondContact O-N 2.86Å; E146-L149 WeakPolarHBondContact O-CB 3.33Å; E146-L149 PolarHBondContact O-N 3.43Å; L149-L152 PolarHBondContact O-N 3.36Å; L149-R153 WeakPolarHBondContact O-CB 3.3Å; L149-R153 PolarHBondContact O-N 3.31Å; L149-M341 HydrophobicContact CD2-CE 3.57Å; L149-I391 HydrophobicContact CD2-CB 4.21Å; L149-I391 HydrophobicContact CD2-CD1 3.95Å; L149-I391 HydrophobicContact CD2-CG2 4.35Å; L149-I391 HydrophobicContact CG-CB 4.35Å; L149-I391 HydrophobicContact CG-CG2 4.15Å; L149-P408 HydrophobicContact CD1-CG 3.73Å; L149-P408 HydrophobicContact CD2-CG 4.01Å; L149-V413 HydrophobicContact CB-CG1 3.78Å; L149-V413 HydrophobicContact CB-CG2 4.05Å; L149-V413 HydrophobicContact CD1-CG2 4.45Å; L149-V413 HydrophobicContact CD2-CG2 4.44Å
150	C	98.1	Very high	94.3	Very high	14 Å²	14	51.5 Å²	51.5	10%	0.095	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-47.4	172.8	-69.5	0	0	0	0	112.3	E146 N147 L148 L152 R153 D154 H414 C415	E146-C150 PolarHBondContact O-N 3.46Å; E146-C150 PolarHBondContact O-SG 3.16Å; N147-C150 WeakPolarHBondContact O-CB 3.36Å; N147-C150 PolarHBondContact O-N 3.35Å; L148-C150 VanDerWaalsContact C-N 3.33Å; C150-L152 VanDerWaalsContact C-N 3.32Å; C150-L152 PolarHBondContact O-N 2.89Å; C150-R153 PolarHBondContact O-N 3.09Å; C150-D154 WeakPolarHBondContact O-CB 3.22Å; C150-D154 VanDerWaalsContact O-CG 3.29Å; C150-D154 PolarHBondContact O-N 3.49Å; C150-H414 PolarHBondContact SG-O 3.46Å; C150-C415 WeakPolarHBondContact CA-SG 3.32Å; C150-C415 HydrophobicContact CB-CB 3.78Å; C150-C415 WeakPolarHBondContact CB-SG 3.39Å; C150-C415 WeakPolarHBondContact SG-CB 3.28Å; C150-C415 CovalentContact SG-SG 2.01Å; C150-C415 PolarHBondContact SG-SG 3.33Å
151	Q	96.9	Very high	95.7	Very high	31 Å²	31	46.8 Å²	46.8	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-43.7	178	-166.6	-177.4	51.3	0	0	111.9	L143 N147 L148 R155 I316 E319 N320	L143-Q151 HydrophobicContact CD1-CB 4.3Å; N147-Q151 WeakPolarHBondContact O-CB 3.35Å; N147-Q151 PolarHBondContact O-N 2.96Å; L148-Q151 PolarHBondContact O-N 3.29Å; Q151-R155 VanDerWaalsContact O-CB 3.31Å; Q151-R155 WeakPolarHBondContact O-CB 3.42Å; Q151-R155 PolarHBondContact O-N 2.71Å; Q151-R155 VanDerWaalsContact O-N 3.09Å; Q151-I316 HydrophobicContact CG-CD1 4.04Å; Q151-I316 HydrophobicContact CG-CG1 4.08Å; Q151-I316 WeakPolarHBondContact O-CD1 3.06Å; Q151-E319 PolarHBondContact NE2-OE2 3.13Å; Q151-N320 PolarHBondContact OE1-ND2 2.98Å
152	L	98.3	Very high	96.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-48.2	175.9	-74	164.8	0	0	0	111.8	L148 L149 C150 D154 V156 L313 I316 L387 I391 F410	L148-L152 HydrophobicContact CG-CD1 4.37Å; L148-L152 WeakPolarHBondContact O-CG 3.42Å; L148-L152 PolarHBondContact O-N 3.47Å; L149-L152 PolarHBondContact O-N 3.36Å; C150-L152 VanDerWaalsContact C-N 3.32Å; C150-L152 PolarHBondContact O-N 2.89Å; L152-D154 PolarHBondContact O-N 2.8Å; L152-V156 HydrophobicContact CD2-CG2 4.28Å; L152-V156 WeakPolarHBondContact O-CB 3.02Å; L152-V156 WeakPolarHBondContact O-CG2 3.36Å; L152-V156 PolarHBondContact O-N 3.3Å; L152-V156 VanDerWaalsContact O-N 3.16Å; L152-L313 HydrophobicContact CD2-CD1 3.56Å; L152-I316 HydrophobicContact CD2-CD1 3.92Å; L152-I316 HydrophobicContact CD2-CG2 3.9Å; L152-I316 HydrophobicContact CG-CD1 4.38Å; L152-I316 HydrophobicContact CG-CG2 4.31Å; L152-L387 HydrophobicContact CD1-CD2 4.24Å; L152-I391 HydrophobicContact CD1-CD1 4.25Å; L152-F410 HydrophobicContact CB-CE1 3.79Å; L152-F410 HydrophobicContact CB-CZ 3.87Å
153	R	98.1	Very high	96.9	Very high	79 Å²	79	48 Å²	48	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-46.2	179.4	-179.2	-170.4	76.2	178.8	6.5	112	L149 C150 F410 V413 C415	L149-R153 WeakPolarHBondContact O-CB 3.3Å; L149-R153 PolarHBondContact O-N 3.31Å; C150-R153 PolarHBondContact O-N 3.09Å; R153-F410 HydrophobicContact CB-CB 4.37Å; R153-F410 HydrophobicContact CB-CD1 3.75Å; R153-F410 HydrophobicContact CB-CE1 4.22Å; R153-F410 HydrophobicContact CB-CG 4.06Å; R153-F410 HydrophobicContact CG-CB 3.99Å; R153-F410 HydrophobicContact CG-CD1 4.32Å; R153-F410 HydrophobicContact CG-CG 4.17Å; R153-V413 PolarHBondContact NH1-O 3.41Å; R153-C415 PolarHBondContact NH1-SG 3.06Å; R153-C415 VanDerWaalsContact NH2-CB 3.28Å; R153-C415 PolarHBondContact NH2-SG 3.41Å
154	D	97.9	Very high	96.9	Very high	102 Å²	102	49.5 Å²	49.5	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-85.6	-26.7	-167.7	-64.9	-18	0	0	0	112.9	C150 L152	C150-D154 WeakPolarHBondContact O-CB 3.22Å; C150-D154 VanDerWaalsContact O-CG 3.29Å; C150-D154 PolarHBondContact O-N 3.49Å; L152-D154 PolarHBondContact O-N 2.8Å
155	R	97.5	Very high	96.9	Very high	93 Å²	93	49.6 Å²	49.6	35%	0.351	27%	0.267	S	S	.	.	H	α-helix	trans	-109.1	-19.1	-173.4	-62.5	174.2	62.3	-163.9	2	114.8	Q151 I316 E319	Q151-R155 VanDerWaalsContact O-CB 3.31Å; Q151-R155 WeakPolarHBondContact O-CB 3.42Å; Q151-R155 PolarHBondContact O-N 2.71Å; Q151-R155 VanDerWaalsContact O-N 3.09Å; R155-I316 HydrophobicContact CB-CD1 4.24Å; R155-E319 IonicContact CZ-OE1 3.38Å; R155-E319 VanDerWaalsContact CZ-OE1 3.25Å; R155-E319 IonicContact CZ-OE2 2.6Å; R155-E319 IonicContact NH1-OE1 2.75Å; R155-E319 PolarHBondContact NH1-OE1 3.12Å; R155-E319 IonicContact NH1-OE2 3.06Å; R155-E319 PolarHBondContact NH1-OE2 2.91Å; R155-E319 IonicContact NH2-OE1 3.83Å; R155-E319 PolarHBondContact NH2-OE1 3.28Å; R155-E319 IonicContact NH2-OE2 3.67Å
156	V	98.1	Very high	96.6	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.042	26%	0.261	C	S	.	.			trans	-100	105.5	-180	-171.7	0	0	0	0	110.2	L152 T158 M309 Q312 L313 I316 V338	L152-V156 HydrophobicContact CD2-CG2 4.28Å; L152-V156 WeakPolarHBondContact O-CB 3.02Å; L152-V156 WeakPolarHBondContact O-CG2 3.36Å; L152-V156 PolarHBondContact O-N 3.3Å; L152-V156 VanDerWaalsContact O-N 3.16Å; V156-T158 PolarHBondContact O-N 2.9Å; V156-M309 HydrophobicContact CG1-CE 3.84Å; V156-M309 HydrophobicContact CG1-CG 3.9Å; V156-M309 HydrophobicContact CG1-SD 4.34Å; V156-Q312 HydrophobicContact CG2-CB 4.46Å; V156-L313 HydrophobicContact CG1-CB 4.25Å; V156-L313 HydrophobicContact CG2-CB 4.36Å; V156-L313 HydrophobicContact CG2-CD1 4.31Å; V156-I316 HydrophobicContact CG2-CD1 3.44Å; V156-I316 VanDerWaalsContact CG2-CD1 3.44Å; V156-V338 HydrophobicContact CB-CG1 4.43Å; V156-V338 HydrophobicContact CG1-CG1 3.95Å
157	N	96.7	Very high	96.5	Very high	92 Å²	92	44 Å²	44	49%	0.492	24%	0.244	S	C	.	.			trans	-87.8	106.4	-178.6	-160.7	3.9	0	0	0	110.8	T159 M309	N157-T159 PolarHBondContact O-N 3.14Å; N157-T159 VanDerWaalsContact OD1-CG2 3.25Å; N157-T159 WeakPolarHBondContact OD1-CG2 3.35Å; N157-M309 WeakPolarHBondContact O-CB 3.5Å
158	T	96	Very high	96.5	Very high	23 Å²	23	39.6 Å²	39.6	14%	0.141	22%	0.22	C	C	.	.			trans	-83.2	46	-177.2	48.2	0	0	0	0	113.1	V156 M309 V338 T342	V156-T158 PolarHBondContact O-N 2.9Å; T158-M309 HydrophobicContact CG2-CE 4.01Å; T158-M309 HydrophobicContact CG2-CG 4.45Å; T158-V338 HydrophobicContact CG2-CG1 3.8Å; T158-T342 WeakPolarHBondContact CG2-OG1 3.43Å; T158-T342 WeakPolarHBondContact OG1-CB 3.46Å; T158-T342 VanDerWaalsContact OG1-CG2 3.26Å; T158-T342 WeakPolarHBondContact OG1-CG2 3.37Å; T158-T342 PolarHBondContact OG1-OG1 3.49Å
159	T	95.6	Very high	96.4	Very high	41 Å²	41	44.2 Å²	44.2	25%	0.252	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-86.2	151.3	179.1	52	0	0	0	0	113.2	N157 N306	N157-T159 PolarHBondContact O-N 3.14Å; N157-T159 VanDerWaalsContact OD1-CG2 3.25Å; N157-T159 WeakPolarHBondContact OD1-CG2 3.35Å; T159-N306 WeakPolarHBondContact O-CB 3.33Å; T159-N306 PolarHBondContact O-N 2.73Å
160	M	97.9	Very high	96.3	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.064	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-94.7	157.6	167.5	-53.3	-56.3	145.5	0	0	109.7	Q162 L182 I264 Y303 I304 L305	M160-Q162 PolarHBondContact O-N 2.72Å; M160-L182 HydrophobicContact CE-CD2 3.43Å; M160-L182 VanDerWaalsContact CE-CD2 3.43Å; M160-L182 HydrophobicContact CG-CB 4.18Å; M160-I264 HydrophobicContact CE-CD1 4.2Å; M160-I264 HydrophobicContact CE-CG2 4.39Å; M160-I264 HydrophobicContact SD-CG2 3.96Å; M160-Y303 HydrophobicContact CB-CD1 3.92Å; M160-Y303 HydrophobicContact CB-CG 4.38Å; M160-Y303 HydrophobicContact CG-CD1 3.79Å; M160-Y303 HydrophobicContact CG-CG 3.92Å; M160-I304 CarbonylContact C-O 3.58Å; M160-I304 VanDerWaalsContact CA-O 3.3Å; M160-I304 WeakPolarHBondContact CA-O 3.47Å; M160-L305 HydrophobicContact CE-CD1 3.81Å; M160-L305 HydrophobicContact SD-CB 4.42Å; M160-L305 HydrophobicContact SD-CD1 4Å
161	V	97.8	Very high	96	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.036	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-61.5	129.3	168.3	174.5	0	0	0	0	109.2	F168 L177 I275 W278 I304	V161-F168 HydrophobicContact CG1-CB 4.01Å; V161-F168 HydrophobicContact CG1-CD1 3.83Å; V161-F168 HydrophobicContact CG1-CD2 3.35Å; V161-F168 HydrophobicContact CG1-CE1 4.1Å; V161-F168 HydrophobicContact CG1-CE2 3.67Å; V161-F168 HydrophobicContact CG1-CG 3.44Å; V161-F168 VanDerWaalsContact CG1-CG 3.44Å; V161-F168 HydrophobicContact CG1-CZ 4.02Å; V161-F168 HydrophobicContact CG2-CE2 4.48Å; V161-L177 HydrophobicContact CG1-CD1 4.2Å; V161-I275 HydrophobicContact CG1-CD1 4.27Å; V161-I275 HydrophobicContact CG2-CD1 4.16Å; V161-W278 HydrophobicContact CG2-CZ3 4.31Å; V161-I304 HydrophobicContact CB-CB 4.16Å; V161-I304 HydrophobicContact CG2-CB 4.15Å; V161-I304 HydrophobicContact CG2-CG2 3.99Å; V161-I304 PolarHBondContact N-O 2.99Å
162	Q	94.7	Very high	95.9	Very high	103 Å²	103	52 Å²	52	48%	0.481	31%	0.305	S	S	.	.			trans	-111.7	162.1	-179.7	-62.8	-175.4	61.8	0	0	111.2	M160 S164 D165	M160-Q162 PolarHBondContact O-N 2.72Å; Q162-S164 PolarHBondContact O-N 3.06Å; Q162-S164 VanDerWaalsContact O-N 3.1Å; Q162-D165 PolarHBondContact N-OD2 2.88Å; Q162-D165 WeakPolarHBondContact O-CB 2.96Å; Q162-D165 PolarHBondContact O-N 3.39Å
163	G	94.3	Very high	95.9	Very high	45 Å²	45	52 Å²	52	46%	0.464	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-6.7	174.2	0	0	0	0	0	114.2	N169	G163-N169 WeakPolarHBondContact O-CA 3.31Å; G163-N169 WeakPolarHBondContact O-CB 3.4Å
164	S	93.9	Very high	95.5	Very high	83 Å²	83	55.8 Å²	55.8	58%	0.58	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-19	170.4	51.7	0	0	0	0	113.1	Q162	Q162-S164 PolarHBondContact O-N 3.06Å; Q162-S164 VanDerWaalsContact O-N 3.1Å
165	D	94.9	Very high	95.2	Very high	44 Å²	44	59.8 Å²	59.8	24%	0.235	33%	0.333	C	S	.	.	S	Bend	trans	-81.4	123	-174.2	-57.5	-38.8	0	0	0	109.9	Q162 F168 N169 I275	Q162-D165 PolarHBondContact N-OD2 2.88Å; Q162-D165 WeakPolarHBondContact O-CB 2.96Å; Q162-D165 PolarHBondContact O-N 3.39Å; D165-F168 CarbonylContact O-C 3.09Å; D165-F168 VanDerWaalsContact O-CA 3.25Å; D165-F168 WeakPolarHBondContact O-CA 3.4Å; D165-F168 VanDerWaalsContact O-CB 3.24Å; D165-F168 WeakPolarHBondContact O-CB 3.26Å; D165-F168 PolarHBondContact O-N 3.41Å; D165-N169 PolarHBondContact O-N 3.23Å; D165-N169 VanDerWaalsContact O-N 3.11Å; D165-I275 HydrophobicContact CB-CD1 3.77Å
166	G	92.1	Very high	95.2	Very high	14 Å²	14	57.2 Å²	57.2	14%	0.144	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	139.8	171.1	0	0	0	0	0	110.8	I275	G166-I275 WeakPolarHBondContact O-CG2 3.12Å
167	P	95	Very high	95.2	Very high	24 Å²	24	57.5 Å²	57.5	16%	0.156	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.3	14.2	-0.1	36.2	-33.3	0	0	0	114.8	N169 T170 Y279	P167-N169 PolarHBondContact O-N 3.47Å; P167-T170 WeakPolarHBondContact O-CG2 3.39Å; P167-T170 PolarHBondContact O-OG1 3.08Å; P167-T170 VanDerWaalsContact O-OG1 3.06Å; P167-Y279 HydrophobicContact CB-CD1 4.45Å; P167-Y279 HydrophobicContact CG-CD1 3.39Å; P167-Y279 HydrophobicContact CG-CD2 3.73Å; P167-Y279 HydrophobicContact CG-CE1 3.8Å; P167-Y279 HydrophobicContact CG-CE2 4.1Å; P167-Y279 HydrophobicContact CG-CG 3.34Å
168	F	97.1	Very high	95.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.6	179.5	-59.5	-91.2	0	0	0	113.9	V161 D165 T170 W173 L177 I275 W278 Y279 F287 I304	V161-F168 HydrophobicContact CG1-CB 4.01Å; V161-F168 HydrophobicContact CG1-CD1 3.83Å; V161-F168 HydrophobicContact CG1-CD2 3.35Å; V161-F168 HydrophobicContact CG1-CE1 4.1Å; V161-F168 HydrophobicContact CG1-CE2 3.67Å; V161-F168 HydrophobicContact CG1-CG 3.44Å; V161-F168 VanDerWaalsContact CG1-CG 3.44Å; V161-F168 HydrophobicContact CG1-CZ 4.02Å; V161-F168 HydrophobicContact CG2-CE2 4.48Å; D165-F168 CarbonylContact O-C 3.09Å; D165-F168 VanDerWaalsContact O-CA 3.25Å; D165-F168 WeakPolarHBondContact O-CA 3.4Å; D165-F168 VanDerWaalsContact O-CB 3.24Å; D165-F168 WeakPolarHBondContact O-CB 3.26Å; D165-F168 PolarHBondContact O-N 3.41Å; F168-T170 PolarHBondContact O-N 2.74Å; F168-W173 HydrophobicContact CB-CB 4.37Å; F168-W173 HydrophobicContact CB-CG 4.34Å; F168-W173 AromaticContact CD1-CD2 3.53Å; F168-W173 HydrophobicContact CD1-CD2 3.53Å; F168-W173 AromaticContact CD1-CE2 3.72Å; F168-W173 AromaticContact CD1-CE3 3.77Å; F168-W173 HydrophobicContact CD1-CE3 3.77Å; F168-W173 AromaticContact CD1-CG 3.92Å; F168-W173 HydrophobicContact CD1-CG 3.92Å; F168-W173 HydrophobicContact CD1-CH2 4.38Å; F168-W173 HydrophobicContact CD1-CZ2 4.17Å; F168-W173 HydrophobicContact CD1-CZ3 4.18Å; F168-W173 HydrophobicContact CE1-CD2 4.05Å; F168-W173 AromaticContact CE1-CE2 3.84Å; F168-W173 HydrophobicContact CE1-CE3 4.17Å; F168-W173 AromaticContact CE1-CH2 3.96Å; F168-W173 HydrophobicContact CE1-CH2 3.96Å; F168-W173 AromaticContact CE1-CZ2 3.82Å; F168-W173 HydrophobicContact CE1-CZ2 3.82Å; F168-W173 HydrophobicContact CE1-CZ3 4.11Å; F168-W173 WeakPolarHBondContact O-CB 3.2Å; F168-L177 HydrophobicContact CB-CD1 3.82Å; F168-L177 HydrophobicContact CD1-CD1 4.18Å; F168-L177 HydrophobicContact CG-CD1 4.31Å; F168-I275 HydrophobicContact CD2-CD1 3.81Å; F168-I275 HydrophobicContact CD2-CG1 4.4Å; F168-I275 HydrophobicContact CE2-CD1 3.7Å; F168-I275 HydrophobicContact CE2-CG1 3.93Å; F168-W278 AromaticContact CE2-CZ3 3.91Å; F168-W278 HydrophobicContact CE2-CZ3 3.91Å; F168-W278 HydrophobicContact CZ-CH2 4.27Å; F168-W278 AromaticContact CZ-CZ3 3.8Å; F168-W278 HydrophobicContact CZ-CZ3 3.8Å; F168-Y279 HydrophobicContact CE1-CD2 4.22Å; F168-Y279 HydrophobicContact CE1-CE2 4.16Å; F168-Y279 HydrophobicContact CE2-CD2 4.01Å; F168-Y279 AromaticContact CZ-CD2 3.65Å; F168-Y279 HydrophobicContact CZ-CD2 3.65Å; F168-Y279 HydrophobicContact CZ-CE2 4.07Å; F168-F287 HydrophobicContact CE1-CD1 4.38Å; F168-F287 AromaticContact CE1-CE1 3.96Å; F168-F287 HydrophobicContact CE1-CE1 3.96Å; F168-F287 AromaticContact CZ-CE1 3.74Å; F168-F287 HydrophobicContact CZ-CE1 3.74Å; F168-F287 HydrophobicContact CZ-CZ 4.16Å; F168-I304 HydrophobicContact CE1-CD1 4.1Å
169	N	95.3	Very high	95.1	Very high	100 Å²	100	65.5 Å²	65.5	54%	0.535	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	3.9	172.9	68.1	-20.1	0	0	0	115.3	G163 D165 P167	G163-N169 WeakPolarHBondContact O-CA 3.31Å; G163-N169 WeakPolarHBondContact O-CB 3.4Å; D165-N169 PolarHBondContact O-N 3.23Å; D165-N169 VanDerWaalsContact O-N 3.11Å; P167-N169 PolarHBondContact O-N 3.47Å
170	T	95.5	Very high	95.1	Very high	61 Å²	61	69.9 Å²	69.9	37%	0.374	37%	0.365	S	S	.	.	S	Bend	trans	-83.3	156.5	178	58	0	0	0	0	112	P167 F168 A172 W173 Q174	P167-T170 WeakPolarHBondContact O-CG2 3.39Å; P167-T170 PolarHBondContact O-OG1 3.08Å; P167-T170 VanDerWaalsContact O-OG1 3.06Å; F168-T170 PolarHBondContact O-N 2.74Å; T170-A172 PolarHBondContact O-N 3.32Å; T170-A172 VanDerWaalsContact O-N 3.11Å; T170-W173 PolarHBondContact O-N 2.83Å; T170-Q174 PolarHBondContact O-N 3.13Å
171	S	93.1	Very high	95	Very high	106 Å²	106	71.4 Å²	71.4	74%	0.741	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.5	174.3	56	0	0	0	0	112.9	W173	S171-W173 PolarHBondContact O-N 3.15Å
172	A	94.6	Very high	95	Very high	56 Å²	56	71.6 Å²	71.6	46%	0.463	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.2	175	0	0	0	0	0	113.7	T170 Y176	T170-A172 PolarHBondContact O-N 3.32Å; T170-A172 VanDerWaalsContact O-N 3.11Å; A172-Y176 VanDerWaalsContact O-CD2 3.32Å; A172-Y176 WeakPolarHBondContact O-CD2 3.39Å; A172-Y176 WeakPolarHBondContact O-CE2 3.26Å
173	W	96.9	Very high	95	Very high	1 Å²	1	70.8 Å²	70.8	0%	0.004	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-23.4	-177.2	-83.8	106.5	0	0	0	114.1	F168 T170 S171 R175 Y176 L177 Y279 F287 Y290 K291 I304	F168-W173 HydrophobicContact CB-CB 4.37Å; F168-W173 HydrophobicContact CB-CG 4.34Å; F168-W173 AromaticContact CD1-CD2 3.53Å; F168-W173 HydrophobicContact CD1-CD2 3.53Å; F168-W173 AromaticContact CD1-CE2 3.72Å; F168-W173 AromaticContact CD1-CE3 3.77Å; F168-W173 HydrophobicContact CD1-CE3 3.77Å; F168-W173 AromaticContact CD1-CG 3.92Å; F168-W173 HydrophobicContact CD1-CG 3.92Å; F168-W173 HydrophobicContact CD1-CH2 4.38Å; F168-W173 HydrophobicContact CD1-CZ2 4.17Å; F168-W173 HydrophobicContact CD1-CZ3 4.18Å; F168-W173 HydrophobicContact CE1-CD2 4.05Å; F168-W173 AromaticContact CE1-CE2 3.84Å; F168-W173 HydrophobicContact CE1-CE3 4.17Å; F168-W173 AromaticContact CE1-CH2 3.96Å; F168-W173 HydrophobicContact CE1-CH2 3.96Å; F168-W173 AromaticContact CE1-CZ2 3.82Å; F168-W173 HydrophobicContact CE1-CZ2 3.82Å; F168-W173 HydrophobicContact CE1-CZ3 4.11Å; F168-W173 WeakPolarHBondContact O-CB 3.2Å; T170-W173 PolarHBondContact O-N 2.83Å; S171-W173 PolarHBondContact O-N 3.15Å; W173-R175 PolarHBondContact O-N 2.87Å; W173-Y176 PolarHBondContact O-N 3.01Å; W173-L177 HydrophobicContact CE3-CD2 4.35Å; W173-L177 HydrophobicContact CE3-CG 4.38Å; W173-Y279 AromaticContact CE2-CE2 3.92Å; W173-Y279 AromaticContact CZ2-CE2 3.76Å; W173-Y279 HydrophobicContact CZ2-CE2 3.76Å; W173-Y279 AromaticContact NE1-CE2 3.62Å; W173-Y279 AromaticContact NE1-CZ 3.68Å; W173-Y279 PolarHBondContact NE1-OH 2.86Å; W173-Y279 VanDerWaalsContact NE1-OH 3.07Å; W173-F287 HydrophobicContact CH2-CB 3.85Å; W173-F287 AromaticContact CH2-CD1 3.59Å; W173-F287 HydrophobicContact CH2-CD1 3.59Å; W173-F287 HydrophobicContact CH2-CE1 4.5Å; W173-F287 HydrophobicContact CH2-CG 4.02Å; W173-F287 HydrophobicContact CZ2-CB 3.93Å; W173-F287 AromaticContact CZ2-CD1 3.8Å; W173-F287 HydrophobicContact CZ2-CD1 3.8Å; W173-F287 AromaticContact CZ2-CG 3.97Å; W173-F287 HydrophobicContact CZ2-CG 3.97Å; W173-Y290 HydrophobicContact CH2-CD1 4.34Å; W173-Y290 AromaticContact CZ3-CD1 3.83Å; W173-Y290 HydrophobicContact CZ3-CD1 3.83Å; W173-Y290 AromaticContact CZ3-CE1 3.92Å; W173-Y290 HydrophobicContact CZ3-CE1 3.92Å; W173-K291 HydrophobicContact CH2-CG 4.34Å; W173-K291 HydrophobicContact CZ3-CG 4.28Å; W173-I304 HydrophobicContact CZ3-CD1 4.4Å
174	Q	89.8	Confident	95	Very high	157 Å²	157	74.8 Å²	74.8	73%	0.734	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-34.1	-171.1	-169.4	179.4	13.2	0	0	114.8	T170	T170-Q174 PolarHBondContact O-N 3.13Å
175	R	93.4	Very high	95.2	Very high	187 Å²	187	73.1 Å²	73.1	71%	0.706	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.1	-178.2	71.7	177.2	-64.8	175.2	0.9	115.2	W173	W173-R175 PolarHBondContact O-N 2.87Å
176	Y	97.3	Very high	95.2	Very high	38 Å²	38	72.2 Å²	72.2	15%	0.149	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-37	-170.8	-62	-68.4	0	0	0	113	A172 W173 Y290 K291 R294 I295	A172-Y176 VanDerWaalsContact O-CD2 3.32Å; A172-Y176 WeakPolarHBondContact O-CD2 3.39Å; A172-Y176 WeakPolarHBondContact O-CE2 3.26Å; W173-Y176 PolarHBondContact O-N 3.01Å; Y176-Y290 PolarHBondContact O-OH 2.89Å; Y176-K291 HydrophobicContact CD1-CB 3.94Å; Y176-K291 HydrophobicContact CD1-CG 3.95Å; Y176-K291 HydrophobicContact CD2-CD 4.16Å; Y176-K291 HydrophobicContact CD2-CG 3.8Å; Y176-K291 HydrophobicContact CE1-CB 3.79Å; Y176-K291 HydrophobicContact CE1-CG 4.06Å; Y176-K291 HydrophobicContact CE2-CB 4.45Å; Y176-K291 HydrophobicContact CE2-CD 3.89Å; Y176-K291 HydrophobicContact CE2-CG 3.91Å; Y176-K291 HydrophobicContact CG-CB 4.34Å; Y176-K291 HydrophobicContact CG-CG 3.82Å; Y176-R294 HydrophobicContact CD1-CB 4.01Å; Y176-R294 WeakPolarHBondContact O-CD 3.04Å; Y176-R294 PolarHBondContact O-NE 3.03Å; Y176-I295 HydrophobicContact CE1-CD1 4Å; Y176-I295 HydrophobicContact CE1-CG1 3.79Å
177	L	97.3	Very high	95.2	Very high	14 Å²	14	73.5 Å²	73.5	7%	0.073	38%	0.377	C	S	.	.	S	Bend	trans	-74.5	143.7	179.8	-62.7	-177.8	0	0	0	111.7	V161 F168 W173 Y290 I304	V161-L177 HydrophobicContact CG1-CD1 4.2Å; F168-L177 HydrophobicContact CB-CD1 3.82Å; F168-L177 HydrophobicContact CD1-CD1 4.18Å; F168-L177 HydrophobicContact CG-CD1 4.31Å; W173-L177 HydrophobicContact CE3-CD2 4.35Å; W173-L177 HydrophobicContact CE3-CG 4.38Å; L177-Y290 HydrophobicContact CD2-CE1 4.2Å; L177-I304 HydrophobicContact CD2-CD1 4.02Å; L177-I304 HydrophobicContact CD2-CG1 4.5Å
178	P	96.6	Very high	94.9	Very high	29 Å²	29	81 Å²	81	19%	0.188	40%	0.403	C	S	.	.			trans	-58	142.9	170.9	-24.4	35.2	0	0	0	111.9	F302 Y303	P178-F302 VanDerWaalsContact CD-O 3.31Å; P178-F302 WeakPolarHBondContact CD-O 3.47Å; P178-F302 VanDerWaalsContact CG-O 3.29Å; P178-F302 WeakPolarHBondContact CG-O 3.47Å; P178-Y303 HydrophobicContact CB-CD1 4.16Å; P178-Y303 HydrophobicContact CB-CE1 3.54Å; P178-Y303 HydrophobicContact CG-CD1 3.81Å; P178-Y303 HydrophobicContact CG-CE1 3.68Å; P178-Y303 HydrophobicContact CG-CE2 4.45Å; P178-Y303 HydrophobicContact CG-CG 4.25Å
179	R	93.7	Very high	94.8	Very high	254 Å²	254	82.1 Å²	82.1	96%	0.958	41%	0.408	S	S	*	.	S	Bend	trans	-79.4	-38.1	178.7	-66.8	-176.9	179.7	174.1	0.2	113.2
180	K	96.2	Very high	94.9	Very high	133 Å²	133	83.5 Å²	83.5	58%	0.578	41%	0.412	S	S	*	.	S	Bend	trans	-84.3	145.8	175.6	-67	-175.3	178.8	-176.3	0	108.9	E184 Y303	K180-E184 HydrophobicContact CB-CB 4.15Å; K180-Y303 WeakPolarHBondContact O-CE1 3.31Å; K180-Y303 PolarHBondContact O-OH 3.14Å; K180-Y303 VanDerWaalsContact O-OH 3.1Å
181	S	96.1	Very high	95.1	Very high	45 Å²	45	84.9 Å²	84.9	32%	0.315	41%	0.41	S	S	.	.			trans	-65	163.9	167.2	66	0	0	0	0	111.2	N183 E184 T185 Y303	S181-N183 VanDerWaalsContact C-N 3.3Å; S181-N183 PolarHBondContact O-N 3.49Å; S181-E184 WeakPolarHBondContact CB-OE2 3.33Å; S181-E184 PolarHBondContact N-OE2 2.89Å; S181-E184 PolarHBondContact O-N 2.69Å; S181-E184 WeakPolarHBondContact OG-CB 3.5Å; S181-E184 VanDerWaalsContact OG-CG 3.23Å; S181-E184 WeakPolarHBondContact OG-CG 3.32Å; S181-E184 PolarHBondContact OG-N 2.89Å; S181-E184 PolarHBondContact OG-OE2 3.29Å; S181-T185 PolarHBondContact O-N 2.93Å; S181-T185 PolarHBondContact O-OG1 3.03Å; S181-Y303 PolarHBondContact O-OH 2.84Å
182	L	96.4	Very high	95.4	Very high	9 Å²	9	79.8 Å²	79.8	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-59.6	-42.5	175	-179.7	60.7	0	0	0	111.5	M160 E184 T185 M186 I262 I264 Y303 I339 L343	M160-L182 HydrophobicContact CE-CD2 3.43Å; M160-L182 VanDerWaalsContact CE-CD2 3.43Å; M160-L182 HydrophobicContact CG-CB 4.18Å; L182-E184 PolarHBondContact O-N 2.85Å; L182-T185 PolarHBondContact O-N 2.8Å; L182-T185 VanDerWaalsContact O-N 3.17Å; L182-M186 HydrophobicContact CD1-CG 3.74Å; L182-M186 HydrophobicContact CG-CG 4.3Å; L182-M186 WeakPolarHBondContact O-CB 3.4Å; L182-M186 WeakPolarHBondContact O-CG 3.28Å; L182-M186 PolarHBondContact O-N 3.31Å; L182-I262 HydrophobicContact CD1-CD1 4.09Å; L182-I262 HydrophobicContact CD1-CG2 4.07Å; L182-I264 HydrophobicContact CD2-CD1 3.8Å; L182-Y303 HydrophobicContact CB-CE1 4.48Å; L182-Y303 HydrophobicContact CB-CE2 4.47Å; L182-Y303 HydrophobicContact CD1-CD2 4.07Å; L182-Y303 HydrophobicContact CD1-CE2 3.82Å; L182-I339 HydrophobicContact CD2-CG2 4.3Å; L182-L343 HydrophobicContact CD2-CD1 4.05Å; L182-L343 HydrophobicContact CG-CD1 4.27Å; L182-L343 HydrophobicContact CG-CD2 4.36Å
183	N	94.8	Very high	95.6	Very high	86 Å²	86	77.1 Å²	77.1	46%	0.46	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-41.9	178.7	-72.8	16.3	0	0	0	112	S181 T185 G187 L343	S181-N183 VanDerWaalsContact C-N 3.3Å; S181-N183 PolarHBondContact O-N 3.49Å; N183-T185 VanDerWaalsContact C-N 3.27Å; N183-T185 PolarHBondContact O-N 2.84Å; N183-G187 WeakPolarHBondContact O-CA 3.48Å; N183-G187 PolarHBondContact O-N 3.43Å; N183-L343 WeakPolarHBondContact OD1-CD2 3.24Å
184	E	95.8	Very high	95.7	Very high	129 Å²	129	77.1 Å²	77.1	60%	0.603	35%	0.353	S	S	*	.	H	α-helix	trans	-67.2	-29.1	175.8	-71.9	166.9	123.7	0	0	112.8	K180 S181 L182	K180-E184 HydrophobicContact CB-CB 4.15Å; S181-E184 WeakPolarHBondContact CB-OE2 3.33Å; S181-E184 PolarHBondContact N-OE2 2.89Å; S181-E184 PolarHBondContact O-N 2.69Å; S181-E184 WeakPolarHBondContact OG-CB 3.5Å; S181-E184 VanDerWaalsContact OG-CG 3.23Å; S181-E184 WeakPolarHBondContact OG-CG 3.32Å; S181-E184 PolarHBondContact OG-N 2.89Å; S181-E184 PolarHBondContact OG-OE2 3.29Å; L182-E184 PolarHBondContact O-N 2.85Å
185	T	96.4	Very high	96.1	Very high	49 Å²	49	69.8 Å²	69.8	30%	0.301	32%	0.319	S	S	.	.	H	α-helix	trans	-79.3	-40.2	179.6	-57.5	0	0	0	0	111.8	S181 L182 N183 I262 P301 Y303	S181-T185 PolarHBondContact O-N 2.93Å; S181-T185 PolarHBondContact O-OG1 3.03Å; L182-T185 PolarHBondContact O-N 2.8Å; L182-T185 VanDerWaalsContact O-N 3.17Å; N183-T185 VanDerWaalsContact C-N 3.27Å; N183-T185 PolarHBondContact O-N 2.84Å; T185-I262 HydrophobicContact CG2-CD1 3.59Å; T185-I262 HydrophobicContact CG2-CG1 4.46Å; T185-P301 HydrophobicContact CG2-CB 4.33Å; T185-P301 HydrophobicContact CG2-CG 3.95Å; T185-Y303 PolarHBondContact OG1-OH 3.19Å
186	M	95.6	Very high	96.3	Very high	24 Å²	24	61.4 Å²	61.4	12%	0.118	29%	0.289	C	S	.	.	H	α-helix	trans	-84.7	-28.1	-177.8	-72.4	-70.4	-78.6	0	0	112.8	L182 L189 A215 T236 V237 I262 L343	L182-M186 HydrophobicContact CD1-CG 3.74Å; L182-M186 HydrophobicContact CG-CG 4.3Å; L182-M186 WeakPolarHBondContact O-CB 3.4Å; L182-M186 WeakPolarHBondContact O-CG 3.28Å; L182-M186 PolarHBondContact O-N 3.31Å; M186-L189 HydrophobicContact CE-CD1 3.41Å; M186-L189 VanDerWaalsContact CE-CD1 3.41Å; M186-A215 HydrophobicContact CE-CB 4.14Å; M186-T236 HydrophobicContact CE-CG2 3.97Å; M186-T236 HydrophobicContact SD-CG2 4.1Å; M186-V237 HydrophobicContact CE-CG2 3.49Å; M186-V237 VanDerWaalsContact CE-CG2 3.49Å; M186-V237 HydrophobicContact SD-CG2 3.94Å; M186-I262 HydrophobicContact CG-CD1 3.76Å; M186-I262 HydrophobicContact SD-CD1 3.37Å; M186-I262 WeakPolarHBondContact SD-CD1 3.46Å; M186-I262 HydrophobicContact SD-CG1 4.47Å; M186-L343 HydrophobicContact CB-CD2 4.3Å; M186-L343 HydrophobicContact CE-CD1 4.33Å; M186-L343 HydrophobicContact CG-CD1 4.34Å
187	G	92.1	Very high	96.4	Very high	41 Å²	41	60.3 Å²	60.3	42%	0.423	29%	0.286	S	S	.	.			trans	63.9	-160.7	-171.9	0	0	0	0	0	112.3	N183	N183-G187 WeakPolarHBondContact O-CA 3.48Å; N183-G187 PolarHBondContact O-N 3.43Å
188	R	88.4	Confident	96.5	Very high	181 Å²	181	60.3 Å²	60.3	68%	0.683	29%	0.289	S	S	*	.			trans	-85.1	127.3	175.5	173	163	-174	179.5	5.9	109.7	D345 R411	R188-D345 IonicContact CZ-OD2 2.9Å; R188-D345 IonicContact NE-OD2 3.97Å; R188-D345 PolarHBondContact NE-OD2 3.16Å; R188-D345 IonicContact NH2-OD1 3.46Å; R188-D345 IonicContact NH2-OD2 2.73Å; R188-D345 PolarHBondContact NH2-OD2 3.16Å; R188-R411 VanDerWaalsContact CG-NH1 3.33Å; R188-R411 VanDerWaalsContact NE-NH1 3.1Å
189	L	96.4	Very high	96.6	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.126	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.1	173.7	-61.4	165.8	0	0	0	109.7	M186 D214 A215 C344 D345 R411	M186-L189 HydrophobicContact CE-CD1 3.41Å; M186-L189 VanDerWaalsContact CE-CD1 3.41Å; L189-D214 HydrophobicContact CD2-CB 3.87Å; L189-A215 HydrophobicContact CD1-CB 3.62Å; L189-A215 HydrophobicContact CD2-CB 4.3Å; L189-C344 HydrophobicContact CB-CB 4.39Å; L189-C344 CarbonylContact O-C 3.58Å; L189-C344 WeakPolarHBondContact O-CA 3.5Å; L189-D345 PolarHBondContact O-N 2.89Å; L189-D345 VanDerWaalsContact O-N 3.07Å; L189-R411 PolarHBondContact O-NH2 3.35Å
190	E	97.3	Very high	96.8	Very high	130 Å²	130	47.4 Å²	47.4	61%	0.607	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	-70.4	177.8	-63	-175.5	179	0	0	109.1	D214 D345 E346	E190-D214 WeakPolarHBondContact CA-OD2 3.4Å; E190-D214 WeakPolarHBondContact CB-OD2 3.32Å; E190-D214 PolarHBondContact N-OD2 3.42Å; E190-D345 CarbonylContact O-C 3.59Å; E190-D345 WeakPolarHBondContact O-CA 3.43Å; E190-D345 PolarHBondContact O-N 2.89Å; E190-E346 PolarHBondContact O-N 2.95Å
191	R	98.4	Very high	96.9	Very high	89 Å²	89	41 Å²	41	34%	0.336	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122	-174.6	-71.5	-177.5	57.6	-129.1	-12.7	111.1	H213 D214 E346	R191-H213 PolarHBondContact NH2-CE1 2.99Å; R191-H213 PolarHBondContact NH2-NE2 3.41Å; R191-H213 WeakPolarHBondContact O-CB 3.31Å; R191-D214 PolarHBondContact N-OD2 3.02Å; R191-D214 WeakPolarHBondContact O-CB 3.29Å; R191-D214 PolarHBondContact O-N 3.43Å; R191-E346 HydrophobicContact CG-CB 4.48Å; R191-E346 IonicContact NE-OE1 3.74Å
192	C	98.9	Very high	97	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.9	-179.5	-64.5	0	0	0	0	112.6	H213 A215 M340 C344 E346 V347 H348	C192-H213 VanDerWaalsContact C-CD2 3.44Å; C192-A215 CarbonylContact C-O 3.58Å; C192-A215 WeakPolarHBondContact CA-O 3.05Å; C192-M340 HydrophobicContact CB-CE 3.55Å; C192-C344 HydrophobicContact CB-CB 3.66Å; C192-C344 WeakPolarHBondContact CB-SG 3.17Å; C192-C344 WeakPolarHBondContact SG-CB 3.47Å; C192-C344 CovalentContact SG-SG 2.01Å; C192-C344 PolarHBondContact SG-SG 3.04Å; C192-E346 PolarHBondContact N-O 3.17Å; C192-V347 CarbonylContact O-C 3.54Å; C192-V347 WeakPolarHBondContact O-CA 3.25Å; C192-H348 PolarHBondContact O-N 2.89Å
193	A	98.9	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.7	172.5	0	0	0	0	0	111.3	I210 H213 A215 V216 L217 H348 Y350	A193-I210 HydrophobicContact CB-CG2 4.35Å; A193-H213 HydrophobicContact CB-CB 4.11Å; A193-A215 PolarHBondContact N-O 3.37Å; A193-V216 HydrophobicContact CB-CG2 4.23Å; A193-V216 CarbonylContact O-C 3.57Å; A193-V216 WeakPolarHBondContact O-CA 3.11Å; A193-L217 PolarHBondContact O-N 3.43Å; A193-H348 CarbonylContact C-O 3.59Å; A193-H348 VanDerWaalsContact CA-O 3.3Å; A193-H348 WeakPolarHBondContact CA-O 3.28Å; A193-Y350 HydrophobicContact CB-CD2 4.2Å; A193-Y350 HydrophobicContact CB-CE2 3.81Å
194	V	99	Very high	97.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.7	164.2	176	0	0	0	0	107.6	L217 F219 I337 M340 V347 H348 V349 Y350	V194-L217 HydrophobicContact CG1-CD2 4.21Å; V194-L217 HydrophobicContact CG2-CB 4.39Å; V194-F219 HydrophobicContact CG1-CE2 3.74Å; V194-F219 HydrophobicContact CG1-CZ 3.58Å; V194-I337 HydrophobicContact CG1-CG1 4.13Å; V194-M340 HydrophobicContact CG2-CB 3.88Å; V194-M340 HydrophobicContact CG2-CG 3.57Å; V194-V347 HydrophobicContact CG2-CG1 3.73Å; V194-H348 PolarHBondContact N-O 3.42Å; V194-V349 HydrophobicContact CB-CB 4.38Å; V194-V349 HydrophobicContact CB-CG1 4.03Å; V194-V349 HydrophobicContact CB-CG2 4.21Å; V194-V349 HydrophobicContact CG1-CG1 4.01Å; V194-V349 WeakPolarHBondContact O-CA 3.23Å; V194-Y350 PolarHBondContact O-N 3.39Å
195	V	98.9	Very high	97.4	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.9	-177.6	-173.6	0	0	0	0	108.3	L201 I210 V216 L217 F219	V195-L201 HydrophobicContact CG1-CD1 3.9Å; V195-L201 HydrophobicContact CG1-CD2 4.44Å; V195-I210 HydrophobicContact CG1-CD1 4.28Å; V195-I210 HydrophobicContact CG2-CD1 4.01Å; V195-I210 HydrophobicContact CG2-CG1 4.23Å; V195-I210 HydrophobicContact CG2-CG2 3.64Å; V195-V216 HydrophobicContact CG2-CG1 3.75Å; V195-L217 PolarHBondContact N-O 3.07Å; V195-F219 VanDerWaalsContact O-CD2 3.25Å; V195-F219 WeakPolarHBondContact O-CD2 3.34Å; V195-F219 VanDerWaalsContact O-CE2 3.28Å; V195-F219 WeakPolarHBondContact O-CE2 3.48Å
196	S	98.8	Very high	97.5	Very high	11 Å²	11	42.7 Å²	42.7	8%	0.077	22%	0.216	C	C	.	.			trans	-62.8	173.5	174.3	93	0	0	0	0	110.9	A198 L201 Y350 E351	S196-A198 WeakPolarHBondContact OG-CB 3.43Å; S196-A198 PolarHBondContact OG-N 2.83Å; S196-A198 VanDerWaalsContact OG-N 3.09Å; S196-L201 WeakPolarHBondContact O-CD1 3.47Å; S196-Y350 VanDerWaalsContact CB-O 3.25Å; S196-Y350 WeakPolarHBondContact CB-O 3.32Å; S196-Y350 PolarHBondContact N-O 3.01Å; S196-Y350 VanDerWaalsContact N-O 3.1Å; S196-Y350 PolarHBondContact OG-O 2.88Å; S196-E351 WeakPolarHBondContact CB-O 2.99Å; S196-E351 VanDerWaalsContact OG-C 3.26Å; S196-E351 PolarHBondContact OG-O 3.1Å
197	S	98.8	Very high	97.7	Very high	15 Å²	15	41.6 Å²	41.6	11%	0.105	21%	0.211	C	C	.	.			trans	-97.2	6.5	173.7	-60.5	0	0	0	0	113	H363 Y364	S197-H363 WeakPolarHBondContact O-CA 3.4Å; S197-H363 WeakPolarHBondContact O-CB 3.43Å; S197-H363 PolarHBondContact O-CD2 3.08Å; S197-Y364 WeakPolarHBondContact O-CD1 3.5Å; S197-Y364 PolarHBondContact O-N 2.87Å
198	A	98.7	Very high	98	Very high	15 Å²	15	44.4 Å²	44.4	12%	0.124	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-62.8	147.3	-166	0	0	0	0	0	113.6	S196 S200 L201 E351	S196-A198 WeakPolarHBondContact OG-CB 3.43Å; S196-A198 PolarHBondContact OG-N 2.83Å; S196-A198 VanDerWaalsContact OG-N 3.09Å; A198-S200 PolarHBondContact O-N 3.13Å; A198-S200 VanDerWaalsContact O-N 3.16Å; A198-L201 WeakPolarHBondContact O-CB 3.35Å; A198-L201 PolarHBondContact O-N 3.22Å; A198-E351 HydrophobicContact CB-CB 4.26Å
199	G	98.6	Very high	98.5	Very high	6 Å²	6	38.3 Å²	38.3	6%	0.062	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.4	174.5	0	0	0	0	0	114.4	L201 K202 V361 C362	G199-L201 PolarHBondContact O-N 3.2Å; G199-K202 WeakPolarHBondContact O-CB 3.24Å; G199-K202 PolarHBondContact O-N 2.73Å; G199-K202 VanDerWaalsContact O-N 3.13Å; G199-V361 WeakPolarHBondContact CA-O 3.34Å; G199-V361 PolarHBondContact N-O 2.94Å; G199-C362 PolarHBondContact N-O 2.68Å
200	S	98.6	Very high	98.6	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.035	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-69.6	-8.5	178.7	51.6	0	0	0	0	114.4	A198 K202 E351 R357	A198-S200 PolarHBondContact O-N 3.13Å; A198-S200 VanDerWaalsContact O-N 3.16Å; S200-K202 VanDerWaalsContact C-N 3.27Å; S200-E351 WeakPolarHBondContact CB-OE2 3.3Å; S200-E351 VanDerWaalsContact OG-CD 3.23Å; S200-E351 PolarHBondContact OG-OE2 3.29Å; S200-R357 VanDerWaalsContact CB-O 3.24Å; S200-R357 WeakPolarHBondContact CB-O 3.42Å; S200-R357 WeakPolarHBondContact O-CD 3.4Å; S200-R357 PolarHBondContact O-NE 2.94Å
201	L	98.8	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-70.2	-23	169	-77.1	164.2	0	0	0	112.8	V195 S196 A198 G199 S203 S204 L206 D230 V231 E351 Y364	V195-L201 HydrophobicContact CG1-CD1 3.9Å; V195-L201 HydrophobicContact CG1-CD2 4.44Å; S196-L201 WeakPolarHBondContact O-CD1 3.47Å; A198-L201 WeakPolarHBondContact O-CB 3.35Å; A198-L201 PolarHBondContact O-N 3.22Å; G199-L201 PolarHBondContact O-N 3.2Å; L201-S203 PolarHBondContact O-N 2.77Å; L201-S204 WeakPolarHBondContact O-CB 3.35Å; L201-S204 PolarHBondContact O-N 3.22Å; L201-S204 PolarHBondContact O-OG 3.34Å; L201-L206 HydrophobicContact CD2-CD1 4.12Å; L201-D230 VanDerWaalsContact O-CB 3.31Å; L201-D230 WeakPolarHBondContact O-CB 3.28Å; L201-V231 HydrophobicContact CB-CG1 4.1Å; L201-V231 HydrophobicContact CD1-CG1 4.18Å; L201-E351 HydrophobicContact CD2-CB 3.98Å; L201-E351 HydrophobicContact CD2-CG 3.61Å; L201-E351 HydrophobicContact CG-CB 3.81Å; L201-E351 HydrophobicContact CG-CG 3.74Å; L201-Y364 HydrophobicContact CB-CD1 4.23Å; L201-Y364 HydrophobicContact CB-CG 4.41Å; L201-Y364 HydrophobicContact CD1-CD1 3.65Å; L201-Y364 HydrophobicContact CD1-CE1 3.96Å
202	K	98.1	Very high	98.7	Very high	132 Å²	132	32.2 Å²	32.2	57%	0.574	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	132.5	-178.7	-170.7	176	-179.7	-179.5	0	111.2	G199 S200 S204 D230	G199-K202 WeakPolarHBondContact O-CB 3.24Å; G199-K202 PolarHBondContact O-N 2.73Å; G199-K202 VanDerWaalsContact O-N 3.13Å; S200-K202 VanDerWaalsContact C-N 3.27Å; K202-S204 PolarHBondContact O-N 3.49Å; K202-D230 WeakPolarHBondContact CA-OD2 3.5Å
203	S	98	Very high	98.7	Very high	81 Å²	81	32.2 Å²	32.2	57%	0.566	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	32	-175.5	-52	0	0	0	0	113.4	L201 D230	L201-S203 PolarHBondContact O-N 2.77Å; S203-D230 VanDerWaalsContact C-OD1 3.3Å; S203-D230 WeakPolarHBondContact CA-OD1 3.25Å; S203-D230 PolarHBondContact N-OD1 2.81Å; S203-D230 PolarHBondContact N-OD2 2.89Å
204	S	98.6	Very high	98.7	Very high	14 Å²	14	36 Å²	36	10%	0.098	21%	0.205	C	C	.	.			trans	-86.8	-23.7	176.3	68.3	0	0	0	0	112.4	L201 K202 L206 D230	L201-S204 WeakPolarHBondContact O-CB 3.35Å; L201-S204 PolarHBondContact O-N 3.22Å; L201-S204 PolarHBondContact O-OG 3.34Å; K202-S204 PolarHBondContact O-N 3.49Å; S204-L206 PolarHBondContact O-N 3.38Å; S204-L206 WeakPolarHBondContact OG-CD1 3.4Å; S204-L206 WeakPolarHBondContact OG-CG 3.41Å; S204-L206 PolarHBondContact OG-N 3.1Å; S204-D230 PolarHBondContact N-OD1 3.24Å; S204-D230 PolarHBondContact OG-O 2.84Å
205	H	98.6	Very high	98.7	Very high	122 Å²	122	36 Å²	36	57%	0.565	21%	0.205	S	C	*	.			trans	55.3	27.6	-174.7	-56.7	-73.2	0	0	0	114.2	G207 E229 D230	H205-G207 VanDerWaalsContact C-N 3.27Å; H205-G207 PolarHBondContact O-N 3.08Å; H205-E229 CarbonylContact C-O 3.51Å; H205-E229 VanDerWaalsContact C-O 3.24Å; H205-E229 VanDerWaalsContact CA-O 3.22Å; H205-E229 WeakPolarHBondContact CA-O 3.45Å; H205-D230 PolarHBondContact N-OD1 3.43Å
206	L	98.9	Very high	98.7	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	20%	0.204	C	C	.	.			trans	-80.1	-5.7	-178.6	-65.8	167.1	0	0	0	113.4	L201 S204 E209 I210 E229 D230 Y350 H402	L201-L206 HydrophobicContact CD2-CD1 4.12Å; S204-L206 PolarHBondContact O-N 3.38Å; S204-L206 WeakPolarHBondContact OG-CD1 3.4Å; S204-L206 WeakPolarHBondContact OG-CG 3.41Å; S204-L206 PolarHBondContact OG-N 3.1Å; L206-E209 PolarHBondContact O-N 3.19Å; L206-E209 VanDerWaalsContact O-N 3.11Å; L206-I210 HydrophobicContact CB-CD1 3.81Å; L206-I210 HydrophobicContact CB-CG1 4.28Å; L206-I210 WeakPolarHBondContact O-CG1 3.19Å; L206-I210 PolarHBondContact O-N 3.2Å; L206-E229 PolarHBondContact N-O 2.78Å; L206-D230 WeakPolarHBondContact CB-O 2.97Å; L206-D230 PolarHBondContact N-O 3.34Å; L206-Y350 HydrophobicContact CD1-CD1 3.99Å; L206-Y350 HydrophobicContact CD2-CD1 4.39Å; L206-Y350 HydrophobicContact CD2-CE1 4.35Å; L206-H402 WeakPolarHBondContact CD1-O 3.49Å; L206-H402 HydrophobicContact CD2-CB 3.92Å
207	G	98.9	Very high	98.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-53.8	-51.7	-172.7	0	0	0	0	0	114.6	H205 E209 I210 D211 K228 E229 D230 G232	H205-G207 VanDerWaalsContact C-N 3.27Å; H205-G207 PolarHBondContact O-N 3.08Å; G207-E209 VanDerWaalsContact C-N 3.32Å; G207-E209 PolarHBondContact O-N 2.95Å; G207-I210 PolarHBondContact O-N 2.96Å; G207-D211 PolarHBondContact O-N 3.31Å; G207-K228 WeakPolarHBondContact CA-O 3.19Å; G207-E229 WeakPolarHBondContact CA-O 3.48Å; G207-E229 PolarHBondContact N-O 3.09Å; G207-D230 PolarHBondContact N-O 2.6Å; G207-G232 VanDerWaalsContact CA-N 3.25Å
208	P	98.8	Very high	98.7	Very high	99 Å²	99	34.7 Å²	34.7	64%	0.643	20%	0.195	S	C	*	.	H	α-helix	trans	-60.6	-37.3	177	-25.8	35.6	0	0	0	113.8	S212	P208-S212 PolarHBondContact O-N 2.85Å
209	E	98.8	Very high	98.7	Very high	54 Å²	54	34.4 Å²	34.4	25%	0.252	19%	0.191	S	C	.	.	H	α-helix	trans	-67.9	-45.8	176.8	-172	-176.4	142.2	0	0	110.8	L206 G207 D211 S212 H213 Y350 K404	L206-E209 PolarHBondContact O-N 3.19Å; L206-E209 VanDerWaalsContact O-N 3.11Å; G207-E209 VanDerWaalsContact C-N 3.32Å; G207-E209 PolarHBondContact O-N 2.95Å; E209-D211 VanDerWaalsContact C-N 3.35Å; E209-D211 PolarHBondContact O-N 2.99Å; E209-S212 WeakPolarHBondContact O-CB 3.41Å; E209-S212 PolarHBondContact O-N 3.42Å; E209-S212 PolarHBondContact O-OG 3.38Å; E209-H213 PolarHBondContact O-CE1 3.49Å; E209-H213 VanDerWaalsContact O-CE1 3.23Å; E209-H213 PolarHBondContact O-ND1 3.34Å; E209-Y350 WeakPolarHBondContact CG-OH 3.49Å; E209-Y350 WeakPolarHBondContact OE1-CE1 3.13Å; E209-Y350 PolarHBondContact OE1-OH 2.91Å; E209-K404 VanDerWaalsContact OE1-CD 3.29Å; E209-K404 WeakPolarHBondContact OE1-CD 3.31Å; E209-K404 IonicContact OE1-NZ 3.19Å; E209-K404 PolarHBondContact OE1-NZ 3.47Å
210	I	98.9	Very high	98.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-48.6	176.8	-70.6	164.9	0	0	0	110.2	A193 V195 L206 G207 S212 H213 V216 Y350	A193-I210 HydrophobicContact CB-CG2 4.35Å; V195-I210 HydrophobicContact CG1-CD1 4.28Å; V195-I210 HydrophobicContact CG2-CD1 4.01Å; V195-I210 HydrophobicContact CG2-CG1 4.23Å; V195-I210 HydrophobicContact CG2-CG2 3.64Å; L206-I210 HydrophobicContact CB-CD1 3.81Å; L206-I210 HydrophobicContact CB-CG1 4.28Å; L206-I210 WeakPolarHBondContact O-CG1 3.19Å; L206-I210 PolarHBondContact O-N 3.2Å; G207-I210 PolarHBondContact O-N 2.96Å; I210-S212 PolarHBondContact O-N 2.72Å; I210-H213 WeakPolarHBondContact O-CB 3.37Å; I210-H213 PolarHBondContact O-N 2.99Å; I210-H213 PolarHBondContact O-ND1 3.36Å; I210-V216 HydrophobicContact CG2-CG1 3.98Å; I210-V216 HydrophobicContact CG2-CG2 4.01Å; I210-Y350 HydrophobicContact CD1-CG 4.47Å; I210-Y350 HydrophobicContact CG1-CD1 4.47Å; I210-Y350 HydrophobicContact CG1-CD2 3.95Å; I210-Y350 HydrophobicContact CG1-CE1 4.44Å; I210-Y350 HydrophobicContact CG1-CE2 3.94Å; I210-Y350 HydrophobicContact CG1-CG 4.22Å
211	D	98.9	Very high	98.7	Very high	48 Å²	48	36.2 Å²	36.2	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-69.6	-13.6	-177.4	-74.9	-17.6	0	0	0	113.3	G207 E209 H213 G232 E233 K234	G207-D211 PolarHBondContact O-N 3.31Å; E209-D211 VanDerWaalsContact C-N 3.35Å; E209-D211 PolarHBondContact O-N 2.99Å; D211-H213 PolarHBondContact O-N 3.28Å; D211-G232 WeakPolarHBondContact OD1-CA 3.18Å; D211-G232 WeakPolarHBondContact OD2-CA 3.47Å; D211-E233 PolarHBondContact OD1-N 3.35Å; D211-E233 VanDerWaalsContact OD1-N 3.08Å; D211-E233 PolarHBondContact OD2-N 2.69Å; D211-K234 PolarHBondContact O-NZ 3.2Å; D211-K234 WeakPolarHBondContact OD1-CB 3.48Å; D211-K234 PolarHBondContact OD1-N 3.16Å
212	S	98.8	Very high	98.7	Very high	66 Å²	66	36.2 Å²	36.2	46%	0.462	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.2	174.1	79.5	0	0	0	0	114.7	P208 E209 I210	P208-S212 PolarHBondContact O-N 2.85Å; E209-S212 WeakPolarHBondContact O-CB 3.41Å; E209-S212 PolarHBondContact O-N 3.42Å; E209-S212 PolarHBondContact O-OG 3.38Å; I210-S212 PolarHBondContact O-N 2.72Å
213	H	98.9	Very high	98.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.185	C	C	.	.	S	Bend	trans	-84	153.6	-179.5	-65	77.5	0	0	0	112.2	R191 C192 A193 E209 I210 D211 A215 K234 H348 Y350	R191-H213 PolarHBondContact NH2-CE1 2.99Å; R191-H213 PolarHBondContact NH2-NE2 3.41Å; R191-H213 WeakPolarHBondContact O-CB 3.31Å; C192-H213 VanDerWaalsContact C-CD2 3.44Å; A193-H213 HydrophobicContact CB-CB 4.11Å; E209-H213 PolarHBondContact O-CE1 3.49Å; E209-H213 VanDerWaalsContact O-CE1 3.23Å; E209-H213 PolarHBondContact O-ND1 3.34Å; I210-H213 WeakPolarHBondContact O-CB 3.37Å; I210-H213 PolarHBondContact O-N 2.99Å; I210-H213 PolarHBondContact O-ND1 3.36Å; D211-H213 PolarHBondContact O-N 3.28Å; H213-A215 VanDerWaalsContact C-N 3.32Å; H213-A215 PolarHBondContact O-N 3.5Å; H213-K234 PolarHBondContact O-NZ 2.97Å; H213-H348 AromaticContact CE1-ND1 3.91Å; H213-H348 AromaticContact NE2-CE1 3.89Å; H213-H348 AromaticContact NE2-CG 3.5Å; H213-H348 AromaticContact NE2-ND1 3.25Å; H213-H348 PolarHBondContact NE2-ND1 3.49Å; H213-Y350 PolarHBondContact CE1-OH 3.05Å
214	D	98.5	Very high	98.7	Very high	80 Å²	80	28.4 Å²	28.4	43%	0.428	16%	0.164	S	C	.	.	S	Bend	trans	-62.5	-42.7	177.9	-56.1	-38.9	0	0	0	111	L189 E190 R191	L189-D214 HydrophobicContact CD2-CB 3.87Å; E190-D214 WeakPolarHBondContact CA-OD2 3.4Å; E190-D214 WeakPolarHBondContact CB-OD2 3.32Å; E190-D214 PolarHBondContact N-OD2 3.42Å; R191-D214 PolarHBondContact N-OD2 3.02Å; R191-D214 WeakPolarHBondContact O-CB 3.29Å; R191-D214 PolarHBondContact O-N 3.43Å
215	A	98.8	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.1	177.7	0	0	0	0	0	112.7	M186 L189 C192 A193 H213 T236 M340	M186-A215 HydrophobicContact CE-CB 4.14Å; L189-A215 HydrophobicContact CD1-CB 3.62Å; L189-A215 HydrophobicContact CD2-CB 4.3Å; C192-A215 CarbonylContact C-O 3.58Å; C192-A215 WeakPolarHBondContact CA-O 3.05Å; A193-A215 PolarHBondContact N-O 3.37Å; H213-A215 VanDerWaalsContact C-N 3.32Å; H213-A215 PolarHBondContact O-N 3.5Å; A215-T236 WeakPolarHBondContact CA-OG1 3.41Å; A215-T236 HydrophobicContact CB-CG2 3.85Å; A215-M340 HydrophobicContact CB-CE 4.12Å
216	V	98.9	Very high	98.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.6	176.5	-179.2	0	0	0	0	109.8	A193 V195 I210 R218 K234 T236 V237	A193-V216 HydrophobicContact CB-CG2 4.23Å; A193-V216 CarbonylContact O-C 3.57Å; A193-V216 WeakPolarHBondContact O-CA 3.11Å; V195-V216 HydrophobicContact CG2-CG1 3.75Å; I210-V216 HydrophobicContact CG2-CG1 3.98Å; I210-V216 HydrophobicContact CG2-CG2 4.01Å; V216-R218 HydrophobicContact CG1-CG 4.18Å; V216-K234 HydrophobicContact CB-CB 4.43Å; V216-K234 HydrophobicContact CB-CG 4.27Å; V216-K234 WeakPolarHBondContact CG1-O 3.42Å; V216-K234 HydrophobicContact CG2-CB 3.95Å; V216-K234 HydrophobicContact CG2-CD 3.77Å; V216-K234 HydrophobicContact CG2-CG 3.9Å; V216-T236 PolarHBondContact N-OG1 3.13Å; V216-T236 VanDerWaalsContact N-OG1 3.13Å; V216-T236 PolarHBondContact O-N 2.88Å; V216-V237 PolarHBondContact O-N 3.05Å; V216-V237 VanDerWaalsContact O-N 3.08Å
217	L	98.9	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.4	172.6	-174.2	146.7	0	0	0	110.9	A193 V194 V195 F219 V237 M340	A193-L217 PolarHBondContact O-N 3.43Å; V194-L217 HydrophobicContact CG1-CD2 4.21Å; V194-L217 HydrophobicContact CG2-CB 4.39Å; V195-L217 PolarHBondContact N-O 3.07Å; L217-F219 HydrophobicContact CD2-CD1 4.02Å; L217-F219 HydrophobicContact CD2-CE1 3.27Å; L217-F219 HydrophobicContact CD2-CE2 3.9Å; L217-F219 HydrophobicContact CD2-CZ 3.21Å; L217-V237 CarbonylContact C-O 3.55Å; L217-V237 VanDerWaalsContact CA-O 3.29Å; L217-V237 WeakPolarHBondContact CA-O 3.49Å; L217-V237 HydrophobicContact CB-CB 4.34Å; L217-V237 HydrophobicContact CD1-CB 4.11Å; L217-V237 HydrophobicContact CD1-CG1 3.82Å; L217-V237 HydrophobicContact CG-CB 4.2Å; L217-V237 HydrophobicContact CG-CG1 4.27Å; L217-M340 HydrophobicContact CB-CE 4.28Å; L217-M340 HydrophobicContact CB-CG 3.86Å; L217-M340 HydrophobicContact CB-SD 3.84Å; L217-M340 HydrophobicContact CD1-CG 3.72Å; L217-M340 HydrophobicContact CD1-SD 3.64Å; L217-M340 HydrophobicContact CG-CG 4.34Å; L217-M340 HydrophobicContact CG-SD 4.36Å
218	R	98.9	Very high	98.6	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	168.4	176	-58.3	-172.8	-172.7	-89.7	-2.5	111.6	V216 T224 V231 G232 K234 T235 V237 R238 L239	V216-R218 HydrophobicContact CG1-CG 4.18Å; R218-T224 VanDerWaalsContact CZ-CG2 3.44Å; R218-V231 PolarHBondContact NH1-O 3.36Å; R218-V231 PolarHBondContact NH2-O 2.93Å; R218-G232 PolarHBondContact NH2-O 2.76Å; R218-K234 PolarHBondContact NE-O 2.66Å; R218-K234 PolarHBondContact NH2-O 3.49Å; R218-T235 HydrophobicContact CB-CG2 4.47Å; R218-T235 VanDerWaalsContact CD-OG1 3.32Å; R218-T235 WeakPolarHBondContact CD-OG1 3.28Å; R218-T235 HydrophobicContact CG-CG2 4.34Å; R218-T235 PolarHBondContact NE-OG1 3.31Å; R218-T235 VanDerWaalsContact NE-OG1 3.13Å; R218-V237 PolarHBondContact N-O 2.66Å; R218-R238 VanDerWaalsContact O-CA 3.31Å; R218-R238 WeakPolarHBondContact O-CA 3.47Å; R218-L239 PolarHBondContact O-N 2.93Å
219	F	98.9	Very high	98.6	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.2	-173.5	-56.2	-75.5	0	0	0	113.3	V194 V195 L217 G221 A222 R238 L239 S332	V194-F219 HydrophobicContact CG1-CE2 3.74Å; V194-F219 HydrophobicContact CG1-CZ 3.58Å; V195-F219 VanDerWaalsContact O-CD2 3.25Å; V195-F219 WeakPolarHBondContact O-CD2 3.34Å; V195-F219 VanDerWaalsContact O-CE2 3.28Å; V195-F219 WeakPolarHBondContact O-CE2 3.48Å; L217-F219 HydrophobicContact CD2-CD1 4.02Å; L217-F219 HydrophobicContact CD2-CE1 3.27Å; L217-F219 HydrophobicContact CD2-CE2 3.9Å; L217-F219 HydrophobicContact CD2-CZ 3.21Å; F219-G221 PolarHBondContact O-N 3.42Å; F219-A222 WeakPolarHBondContact O-CB 3.45Å; F219-A222 PolarHBondContact O-N 3.41Å; F219-R238 PolarHBondContact O-NH1 2.75Å; F219-L239 CarbonylContact C-O 3.51Å; F219-L239 WeakPolarHBondContact CA-O 3.41Å; F219-L239 HydrophobicContact CD1-CB 4.04Å; F219-L239 HydrophobicContact CD1-CD2 4.26Å; F219-L239 HydrophobicContact CE1-CB 4.28Å; F219-L239 HydrophobicContact CE1-CD2 4.04Å; F219-S332 VanDerWaalsContact CE1-C 3.47Å; F219-S332 WeakPolarHBondContact CE1-O 3.23Å
220	N	98.6	Very high	98.6	Very high	32 Å²	32	42.6 Å²	42.6	17%	0.171	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	-133.4	169.1	-63.8	-41.4	0	0	0	112.3	A222 R238 L239 V240 N241 L244	N220-A222 VanDerWaalsContact C-N 3.31Å; N220-A222 PolarHBondContact O-N 2.73Å; N220-R238 WeakPolarHBondContact O-CD 3.46Å; N220-R238 PolarHBondContact O-NH1 2.89Å; N220-L239 PolarHBondContact N-O 3.22Å; N220-V240 WeakPolarHBondContact OD1-CA 3.05Å; N220-N241 PolarHBondContact OD1-N 2.89Å; N220-L244 HydrophobicContact CB-CD1 3.57Å
221	G	97.9	Very high	98.6	Very high	17 Å²	17	42.6 Å²	42.6	18%	0.175	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	21.4	177.7	0	0	0	0	0	114.8	F219 P223 L257 Y258	F219-G221 PolarHBondContact O-N 3.42Å; G221-P223 WeakPolarHBondContact O-CD 3.44Å; G221-P223 VanDerWaalsContact O-N 3.17Å; G221-L257 WeakPolarHBondContact O-CD2 3.38Å; G221-Y258 WeakPolarHBondContact CA-OH 3.14Å
222	A	98.4	Very high	98.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	22%	0.216	C	C	.	.			trans	-65	112.3	-178.8	0	0	0	0	0	110.9	F219 N220 R238 Y364 Y365	F219-A222 WeakPolarHBondContact O-CB 3.45Å; F219-A222 PolarHBondContact O-N 3.41Å; N220-A222 VanDerWaalsContact C-N 3.31Å; N220-A222 PolarHBondContact O-N 2.73Å; A222-R238 PolarHBondContact O-NH1 2.8Å; A222-R238 PolarHBondContact O-NH2 2.84Å; A222-Y364 HydrophobicContact CB-CE1 4.26Å; A222-Y364 WeakPolarHBondContact CB-OH 3.43Å; A222-Y365 HydrophobicContact CB-CD1 4.44Å; A222-Y365 HydrophobicContact CB-CE1 3.8Å
223	P	98.3	Very high	98.6	Very high	28 Å²	28	42.2 Å²	42.2	18%	0.182	22%	0.218	C	C	.	.			trans	-86.9	157.1	-172.7	35.4	-33.4	0	0	0	112	G221 F227 Y364 Y365	G221-P223 WeakPolarHBondContact O-CD 3.44Å; G221-P223 VanDerWaalsContact O-N 3.17Å; P223-F227 HydrophobicContact CG-CD2 4.05Å; P223-F227 HydrophobicContact CG-CE2 3.99Å; P223-Y364 HydrophobicContact CG-CE2 4.33Å; P223-Y364 VanDerWaalsContact O-CE2 3.28Å; P223-Y364 WeakPolarHBondContact O-CE2 3.31Å; P223-Y364 PolarHBondContact O-OH 3.12Å; P223-Y365 VanDerWaalsContact CD-CD1 3.44Å; P223-Y365 HydrophobicContact CG-CD1 4.41Å; P223-Y365 HydrophobicContact CG-CD2 4.4Å; P223-Y365 HydrophobicContact CG-CG 3.92Å
224	T	98.4	Very high	98.6	Very high	21 Å²	21	45.9 Å²	45.9	13%	0.129	23%	0.234	C	C	.	.			trans	-102.8	-35.1	170.1	53.7	0	0	0	0	111.9	R218 G226 F227 K228 G232	R218-T224 VanDerWaalsContact CZ-CG2 3.44Å; T224-G226 PolarHBondContact O-N 3.48Å; T224-F227 CarbonylContact O-C 3.58Å; T224-F227 PolarHBondContact O-N 3.44Å; T224-K228 WeakPolarHBondContact O-CG 3.27Å; T224-K228 PolarHBondContact O-N 2.84Å; T224-G232 WeakPolarHBondContact CB-O 3.31Å; T224-G232 WeakPolarHBondContact CG2-O 3.41Å
225	R	97.6	Very high	98.6	Very high	218 Å²	218	43 Å²	43	82%	0.823	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	127.6	177	-173.8	178.3	179.9	-178.4	-0.1	110.4	F227	R225-F227 VanDerWaalsContact C-N 3.28Å; R225-F227 WeakPolarHBondContact O-CD2 3.25Å
226	G	97.9	Very high	98.6	Very high	72 Å²	72	44.7 Å²	44.7	74%	0.742	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	-5.1	-176.4	0	0	0	0	0	114.9	T224	T224-G226 PolarHBondContact O-N 3.48Å
227	F	98.6	Very high	98.6	Very high	53 Å²	53	44.7 Å²	44.7	23%	0.232	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	9.7	-177.5	-59.3	-81.7	0	0	0	113.2	P223 T224 R225 E229 D230 V231 Y364	P223-F227 HydrophobicContact CG-CD2 4.05Å; P223-F227 HydrophobicContact CG-CE2 3.99Å; T224-F227 CarbonylContact O-C 3.58Å; T224-F227 PolarHBondContact O-N 3.44Å; R225-F227 VanDerWaalsContact C-N 3.28Å; R225-F227 WeakPolarHBondContact O-CD2 3.25Å; F227-E229 VanDerWaalsContact C-N 3.27Å; F227-E229 PolarHBondContact O-N 3.22Å; F227-E229 VanDerWaalsContact O-N 3.15Å; F227-D230 PolarHBondContact O-N 3.23Å; F227-V231 HydrophobicContact CB-CG1 4.39Å; F227-V231 HydrophobicContact CB-CG2 3.74Å; F227-V231 WeakPolarHBondContact O-CG2 3.24Å; F227-V231 PolarHBondContact O-N 3.1Å; F227-Y364 HydrophobicContact CB-CD2 4.25Å; F227-Y364 HydrophobicContact CB-CE2 4.1Å; F227-Y364 AromaticContact CD1-CD2 3.74Å; F227-Y364 HydrophobicContact CD1-CD2 3.74Å; F227-Y364 HydrophobicContact CD1-CE2 4.31Å; F227-Y364 HydrophobicContact CD2-CD2 4.18Å; F227-Y364 AromaticContact CD2-CE2 3.99Å; F227-Y364 HydrophobicContact CD2-CE2 3.99Å; F227-Y364 HydrophobicContact CE1-CD2 4.12Å; F227-Y364 WeakPolarHBondContact CE1-O 3.32Å; F227-Y364 AromaticContact CG-CD2 3.78Å; F227-Y364 HydrophobicContact CG-CD2 3.78Å; F227-Y364 AromaticContact CG-CE2 3.86Å; F227-Y364 HydrophobicContact CG-CE2 3.86Å
228	K	98.4	Very high	98.6	Very high	92 Å²	92	44.7 Å²	44.7	40%	0.4	23%	0.229	S	C	.	.	H	α-helix	trans	-53.2	-39.7	-170.5	-63.2	-174.9	177.5	-165.8	0	113.9	G207 T224 D230 G232 E233	G207-K228 WeakPolarHBondContact CA-O 3.19Å; T224-K228 WeakPolarHBondContact O-CG 3.27Å; T224-K228 PolarHBondContact O-N 2.84Å; K228-D230 PolarHBondContact O-N 3.2Å; K228-G232 VanDerWaalsContact O-CA 3.24Å; K228-G232 WeakPolarHBondContact O-CA 3.24Å; K228-G232 PolarHBondContact O-N 2.66Å; K228-E233 HydrophobicContact CD-CB 4.37Å; K228-E233 VanDerWaalsContact CE-CD 3.43Å; K228-E233 VanDerWaalsContact CE-OE1 3.3Å; K228-E233 WeakPolarHBondContact CE-OE1 3.46Å; K228-E233 WeakPolarHBondContact CE-OE2 3.43Å; K228-E233 HydrophobicContact CG-CB 4.47Å; K228-E233 IonicContact NZ-OE1 3.42Å; K228-E233 PolarHBondContact NZ-OE1 3.09Å; K228-E233 IonicContact NZ-OE2 3.88Å; K228-E233 PolarHBondContact NZ-OE2 3.43Å
229	E	98.8	Very high	98.6	Very high	138 Å²	138	44.7 Å²	44.7	65%	0.645	23%	0.229	S	C	*	.	H	α-helix	trans	-60.4	-36	178.6	-64.9	-175.9	-176.9	0	0	112.3	H205 L206 G207 F227	H205-E229 CarbonylContact C-O 3.51Å; H205-E229 VanDerWaalsContact C-O 3.24Å; H205-E229 VanDerWaalsContact CA-O 3.22Å; H205-E229 WeakPolarHBondContact CA-O 3.45Å; L206-E229 PolarHBondContact N-O 2.78Å; G207-E229 WeakPolarHBondContact CA-O 3.48Å; G207-E229 PolarHBondContact N-O 3.09Å; F227-E229 VanDerWaalsContact C-N 3.27Å; F227-E229 PolarHBondContact O-N 3.22Å; F227-E229 VanDerWaalsContact O-N 3.15Å
230	D	98.9	Very high	98.6	Very high	18 Å²	18	44.3 Å²	44.3	10%	0.096	23%	0.228	C	C	.	.	H	α-helix	trans	-89.9	-40.3	-176.6	-75	-31.1	0	0	0	112.9	L201 K202 S203 S204 H205 L206 G207 F227 K228	L201-D230 VanDerWaalsContact O-CB 3.31Å; L201-D230 WeakPolarHBondContact O-CB 3.28Å; K202-D230 WeakPolarHBondContact CA-OD2 3.5Å; S203-D230 VanDerWaalsContact C-OD1 3.3Å; S203-D230 WeakPolarHBondContact CA-OD1 3.25Å; S203-D230 PolarHBondContact N-OD1 2.81Å; S203-D230 PolarHBondContact N-OD2 2.89Å; S204-D230 PolarHBondContact N-OD1 3.24Å; S204-D230 PolarHBondContact OG-O 2.84Å; H205-D230 PolarHBondContact N-OD1 3.43Å; L206-D230 WeakPolarHBondContact CB-O 2.97Å; L206-D230 PolarHBondContact N-O 3.34Å; G207-D230 PolarHBondContact N-O 2.6Å; F227-D230 PolarHBondContact O-N 3.23Å; K228-D230 PolarHBondContact O-N 3.2Å
231	V	98.8	Very high	98.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-118.7	-4.5	-168	-49.8	0	0	0	0	114.1	L201 R218 F227 Y364	L201-V231 HydrophobicContact CB-CG1 4.1Å; L201-V231 HydrophobicContact CD1-CG1 4.18Å; R218-V231 PolarHBondContact NH1-O 3.36Å; R218-V231 PolarHBondContact NH2-O 2.93Å; F227-V231 HydrophobicContact CB-CG1 4.39Å; F227-V231 HydrophobicContact CB-CG2 3.74Å; F227-V231 WeakPolarHBondContact O-CG2 3.24Å; F227-V231 PolarHBondContact O-N 3.1Å; V231-Y364 HydrophobicContact CG1-CD1 4.27Å; V231-Y364 HydrophobicContact CG1-CD2 4.19Å; V231-Y364 HydrophobicContact CG1-CE1 4.13Å; V231-Y364 HydrophobicContact CG1-CE2 4.06Å; V231-Y364 HydrophobicContact CG1-CG 4.29Å; V231-Y364 HydrophobicContact CG2-CE2 4.33Å
232	G	98.8	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.			trans	77.7	176	-175.9	0	0	0	0	0	113.1	G207 D211 R218 T224 K228	G207-G232 VanDerWaalsContact CA-N 3.25Å; D211-G232 WeakPolarHBondContact OD1-CA 3.18Å; D211-G232 WeakPolarHBondContact OD2-CA 3.47Å; R218-G232 PolarHBondContact NH2-O 2.76Å; T224-G232 WeakPolarHBondContact CB-O 3.31Å; T224-G232 WeakPolarHBondContact CG2-O 3.41Å; K228-G232 VanDerWaalsContact O-CA 3.24Å; K228-G232 WeakPolarHBondContact O-CA 3.24Å; K228-G232 PolarHBondContact O-N 2.66Å
233	E	98.4	Very high	98.6	Very high	107 Å²	107	47.1 Å²	47.1	50%	0.5	24%	0.236	S	C	.	.	S	Bend	trans	-105.7	-29.4	178.8	-177.6	158.9	-153	0	0	112.9	D211 K228 T235	D211-E233 PolarHBondContact OD1-N 3.35Å; D211-E233 VanDerWaalsContact OD1-N 3.08Å; D211-E233 PolarHBondContact OD2-N 2.69Å; K228-E233 HydrophobicContact CD-CB 4.37Å; K228-E233 VanDerWaalsContact CE-CD 3.43Å; K228-E233 VanDerWaalsContact CE-OE1 3.3Å; K228-E233 WeakPolarHBondContact CE-OE1 3.46Å; K228-E233 WeakPolarHBondContact CE-OE2 3.43Å; K228-E233 HydrophobicContact CG-CB 4.47Å; K228-E233 IonicContact NZ-OE1 3.42Å; K228-E233 PolarHBondContact NZ-OE1 3.09Å; K228-E233 IonicContact NZ-OE2 3.88Å; K228-E233 PolarHBondContact NZ-OE2 3.43Å; E233-T235 PolarHBondContact O-N 3.26Å
234	K	98.7	Very high	98.6	Very high	78 Å²	78	46.2 Å²	46.2	34%	0.339	23%	0.23	S	C	.	.			trans	-66.2	133.7	-174.4	-173.7	179.6	-73.9	170.3	0	111.2	D211 H213 V216 R218	D211-K234 PolarHBondContact O-NZ 3.2Å; D211-K234 WeakPolarHBondContact OD1-CB 3.48Å; D211-K234 PolarHBondContact OD1-N 3.16Å; H213-K234 PolarHBondContact O-NZ 2.97Å; V216-K234 HydrophobicContact CB-CB 4.43Å; V216-K234 HydrophobicContact CB-CG 4.27Å; V216-K234 WeakPolarHBondContact CG1-O 3.42Å; V216-K234 HydrophobicContact CG2-CB 3.95Å; V216-K234 HydrophobicContact CG2-CD 3.77Å; V216-K234 HydrophobicContact CG2-CG 3.9Å; R218-K234 PolarHBondContact NE-O 2.66Å; R218-K234 PolarHBondContact NH2-O 3.49Å
235	T	98.8	Very high	98.6	Very high	19 Å²	19	45.3 Å²	45.3	12%	0.117	22%	0.224	C	C	.	.			trans	-138.2	106.8	169.4	-56.1	0	0	0	0	108.1	R218 E233 R238	R218-T235 HydrophobicContact CB-CG2 4.47Å; R218-T235 VanDerWaalsContact CD-OG1 3.32Å; R218-T235 WeakPolarHBondContact CD-OG1 3.28Å; R218-T235 HydrophobicContact CG-CG2 4.34Å; R218-T235 PolarHBondContact NE-OG1 3.31Å; R218-T235 VanDerWaalsContact NE-OG1 3.13Å; E233-T235 PolarHBondContact O-N 3.26Å; T235-R238 HydrophobicContact CG2-CB 4.4Å
236	T	98.8	Very high	98.6	Very high	35 Å²	35	36.7 Å²	36.7	22%	0.215	20%	0.196	C	C	.	.	S	Bend	trans	-95.5	-41.2	179.5	-47.6	0	0	0	0	110.8	M186 A215 V216 G261 I262	M186-T236 HydrophobicContact CE-CG2 3.97Å; M186-T236 HydrophobicContact SD-CG2 4.1Å; A215-T236 WeakPolarHBondContact CA-OG1 3.41Å; A215-T236 HydrophobicContact CB-CG2 3.85Å; V216-T236 PolarHBondContact N-OG1 3.13Å; V216-T236 VanDerWaalsContact N-OG1 3.13Å; V216-T236 PolarHBondContact O-N 2.88Å; T236-G261 WeakPolarHBondContact O-CA 3.41Å; T236-I262 PolarHBondContact O-N 2.85Å
237	V	98.9	Very high	98.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.1	177.4	-175.4	0	0	0	0	109.4	M186 V216 L217 R218 I262 I264	M186-V237 HydrophobicContact CE-CG2 3.49Å; M186-V237 VanDerWaalsContact CE-CG2 3.49Å; M186-V237 HydrophobicContact SD-CG2 3.94Å; V216-V237 PolarHBondContact O-N 3.05Å; V216-V237 VanDerWaalsContact O-N 3.08Å; L217-V237 CarbonylContact C-O 3.55Å; L217-V237 VanDerWaalsContact CA-O 3.29Å; L217-V237 WeakPolarHBondContact CA-O 3.49Å; L217-V237 HydrophobicContact CB-CB 4.34Å; L217-V237 HydrophobicContact CD1-CB 4.11Å; L217-V237 HydrophobicContact CD1-CG1 3.82Å; L217-V237 HydrophobicContact CG-CB 4.2Å; L217-V237 HydrophobicContact CG-CG1 4.27Å; R218-V237 PolarHBondContact N-O 2.66Å; V237-I262 CarbonylContact C-O 3.52Å; V237-I262 WeakPolarHBondContact CA-O 3.33Å; V237-I262 HydrophobicContact CG2-CB 4.43Å; V237-I264 HydrophobicContact CG1-CD1 3.69Å; V237-I264 HydrophobicContact CG1-CG1 4.18Å
238	R	98.9	Very high	98	Very high	1 Å²	1	40 Å²	40	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116.1	170.3	178.6	176.7	-67.6	-77.5	-2.8	110.3	R218 F219 N220 A222 T235 V240 I262 L263 I264	R218-R238 VanDerWaalsContact O-CA 3.31Å; R218-R238 WeakPolarHBondContact O-CA 3.47Å; F219-R238 PolarHBondContact O-NH1 2.75Å; N220-R238 WeakPolarHBondContact O-CD 3.46Å; N220-R238 PolarHBondContact O-NH1 2.89Å; A222-R238 PolarHBondContact O-NH1 2.8Å; A222-R238 PolarHBondContact O-NH2 2.84Å; T235-R238 HydrophobicContact CG2-CB 4.4Å; R238-V240 HydrophobicContact CG-CG1 3.9Å; R238-I262 PolarHBondContact N-O 2.85Å; R238-L263 HydrophobicContact CB-CD2 3.89Å; R238-L263 HydrophobicContact CG-CD2 4.26Å; R238-L263 WeakPolarHBondContact O-CA 3.28Å; R238-I264 PolarHBondContact O-N 3.3Å
239	L	98.9	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.5	174.3	-179.4	65.9	0	0	0	109.2	R218 F219 N220 I264 W266 S332 L335 I339	R218-L239 PolarHBondContact O-N 2.93Å; F219-L239 CarbonylContact C-O 3.51Å; F219-L239 WeakPolarHBondContact CA-O 3.41Å; F219-L239 HydrophobicContact CD1-CB 4.04Å; F219-L239 HydrophobicContact CD1-CD2 4.26Å; F219-L239 HydrophobicContact CE1-CB 4.28Å; F219-L239 HydrophobicContact CE1-CD2 4.04Å; N220-L239 PolarHBondContact N-O 3.22Å; L239-I264 CarbonylContact C-O 3.59Å; L239-I264 WeakPolarHBondContact CA-O 3.27Å; L239-I264 HydrophobicContact CD1-CB 3.8Å; L239-I264 HydrophobicContact CD1-CG2 3.65Å; L239-W266 HydrophobicContact CD1-CG 4.39Å; L239-S332 WeakPolarHBondContact CD2-O 3.4Å; L239-L335 HydrophobicContact CD2-CB 3.99Å; L239-I339 HydrophobicContact CD1-CD1 4.5Å; L239-I339 HydrophobicContact CD2-CD1 4.45Å
240	V	98.9	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.8	179	-57.7	0	0	0	0	110.4	N220 R238 L244 V245 Y258 I264 V265 W266	N220-V240 WeakPolarHBondContact OD1-CA 3.05Å; R238-V240 HydrophobicContact CG-CG1 3.9Å; V240-L244 HydrophobicContact CB-CD2 4.22Å; V240-L244 HydrophobicContact CG1-CD2 4.25Å; V240-V245 HydrophobicContact CB-CG2 4.46Å; V240-V245 HydrophobicContact CG2-CG2 3.62Å; V240-Y258 HydrophobicContact CG1-CE1 4.35Å; V240-I264 WeakPolarHBondContact CG2-O 3.25Å; V240-I264 PolarHBondContact N-O 3.13Å; V240-V265 HydrophobicContact CG2-CB 3.9Å; V240-V265 HydrophobicContact CG2-CG2 4.18Å; V240-V265 VanDerWaalsContact O-CA 3.29Å; V240-V265 WeakPolarHBondContact O-CA 3.39Å; V240-W266 PolarHBondContact O-N 2.86Å
241	N	98.8	Very high	97.1	Very high	34 Å²	34	44.9 Å²	44.9	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	158.5	168.4	68	38.2	0	0	0	111	N220 Q243 L244 V245 W266	N220-N241 PolarHBondContact OD1-N 2.89Å; N241-Q243 VanDerWaalsContact C-N 3.29Å; N241-Q243 PolarHBondContact O-N 3.1Å; N241-Q243 WeakPolarHBondContact OD1-CB 3.45Å; N241-Q243 PolarHBondContact OD1-N 2.94Å; N241-L244 PolarHBondContact O-N 3.16Å; N241-L244 WeakPolarHBondContact OD1-CB 3.27Å; N241-L244 PolarHBondContact OD1-N 3.34Å; N241-V245 PolarHBondContact O-N 3.43Å; N241-W266 CarbonylContact C-O 3.57Å; N241-W266 HydrophobicContact CB-CZ2 4.29Å
242	S	98.7	Very high	97.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-33.3	179.4	56.4	0	0	0	0	113.3	L244 V245 T246 W266 D267	S242-L244 VanDerWaalsContact C-N 3.3Å; S242-L244 PolarHBondContact O-N 3.18Å; S242-V245 PolarHBondContact O-N 2.85Å; S242-V245 VanDerWaalsContact O-N 3.16Å; S242-T246 WeakPolarHBondContact O-CB 3.32Å; S242-T246 PolarHBondContact O-N 3.25Å; S242-T246 PolarHBondContact O-OG1 3.35Å; S242-T246 VanDerWaalsContact O-OG1 3.09Å; S242-W266 WeakPolarHBondContact CB-O 3.1Å; S242-W266 PolarHBondContact N-O 3.15Å; S242-D267 WeakPolarHBondContact CB-OD1 3.3Å; S242-D267 PolarHBondContact OG-OD1 3.44Å
243	Q	98.4	Very high	97	Very high	75 Å²	75	47.1 Å²	47.1	35%	0.35	23%	0.229	S	C	.	.	H	α-helix	trans	-55.3	-46.4	174.8	-178.1	178.6	22.3	0	0	111.3	N241 V245 T246 V247 Y284	N241-Q243 VanDerWaalsContact C-N 3.29Å; N241-Q243 PolarHBondContact O-N 3.1Å; N241-Q243 WeakPolarHBondContact OD1-CB 3.45Å; N241-Q243 PolarHBondContact OD1-N 2.94Å; Q243-V245 VanDerWaalsContact C-N 3.3Å; Q243-V245 PolarHBondContact O-N 3.48Å; Q243-T246 PolarHBondContact O-N 3.03Å; Q243-V247 HydrophobicContact CG-CG2 3.96Å; Q243-V247 WeakPolarHBondContact O-CB 3.28Å; Q243-V247 VanDerWaalsContact O-CG2 3.29Å; Q243-V247 WeakPolarHBondContact O-CG2 3.49Å; Q243-V247 PolarHBondContact O-N 3.12Å; Q243-Y284 HydrophobicContact CB-CD1 4.06Å; Q243-Y284 HydrophobicContact CB-CD2 3.85Å; Q243-Y284 HydrophobicContact CB-CE1 3.86Å; Q243-Y284 HydrophobicContact CB-CE2 3.65Å; Q243-Y284 HydrophobicContact CB-CG 4.06Å; Q243-Y284 HydrophobicContact CG-CD1 4.15Å; Q243-Y284 HydrophobicContact CG-CE1 3.58Å; Q243-Y284 HydrophobicContact CG-CE2 4.11Å; Q243-Y284 PolarHBondContact NE2-OH 3.38Å
244	L	98.1	Very high	97	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-39.5	179.2	-178.2	149.5	0	0	0	112	N220 V240 N241 S242 T246 Q250 F252 Y258	N220-L244 HydrophobicContact CB-CD1 3.57Å; V240-L244 HydrophobicContact CB-CD2 4.22Å; V240-L244 HydrophobicContact CG1-CD2 4.25Å; N241-L244 PolarHBondContact O-N 3.16Å; N241-L244 WeakPolarHBondContact OD1-CB 3.27Å; N241-L244 PolarHBondContact OD1-N 3.34Å; S242-L244 VanDerWaalsContact C-N 3.3Å; S242-L244 PolarHBondContact O-N 3.18Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-Q250 HydrophobicContact CG-CB 4.15Å; L244-Q250 HydrophobicContact CG-CG 4.46Å; L244-Q250 WeakPolarHBondContact O-CB 3.43Å; L244-F252 HydrophobicContact CD2-CB 4.1Å; L244-F252 HydrophobicContact CD2-CD2 3.52Å; L244-F252 HydrophobicContact CD2-CE2 4.34Å; L244-F252 HydrophobicContact CD2-CG 4.09Å; L244-Y258 HydrophobicContact CD2-CE1 3.86Å
245	V	98.4	Very high	96.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-29.1	178.7	178.9	0	0	0	0	111.4	V240 N241 S242 Q243 F252 V265 F286 N289 F302	V240-V245 HydrophobicContact CB-CG2 4.46Å; V240-V245 HydrophobicContact CG2-CG2 3.62Å; N241-V245 PolarHBondContact O-N 3.43Å; S242-V245 PolarHBondContact O-N 2.85Å; S242-V245 VanDerWaalsContact O-N 3.16Å; Q243-V245 VanDerWaalsContact C-N 3.3Å; Q243-V245 PolarHBondContact O-N 3.48Å; V245-F252 HydrophobicContact CB-CD1 4.29Å; V245-F252 HydrophobicContact CB-CE1 4.45Å; V245-F252 HydrophobicContact CG1-CD1 3.88Å; V245-F252 HydrophobicContact CG1-CE1 3.85Å; V245-F252 HydrophobicContact CG2-CD1 4.23Å; V245-F252 HydrophobicContact CG2-CD2 4.31Å; V245-F252 HydrophobicContact CG2-CE1 4.1Å; V245-F252 HydrophobicContact CG2-CE2 4.17Å; V245-F252 HydrophobicContact CG2-CG 4.34Å; V245-F252 HydrophobicContact CG2-CZ 4.07Å; V245-V265 HydrophobicContact CG2-CB 4.41Å; V245-V265 HydrophobicContact CG2-CG2 3.86Å; V245-F286 HydrophobicContact CB-CB 4.12Å; V245-F286 HydrophobicContact CG1-CB 3.97Å; V245-N289 HydrophobicContact CG1-CB 3.94Å; V245-N289 WeakPolarHBondContact O-CB 3.49Å; V245-N289 PolarHBondContact O-ND2 3.42Å; V245-F302 HydrophobicContact CG2-CZ 4.48Å
246	T	97.9	Very high	96.8	Very high	38 Å²	38	48.4 Å²	48.4	23%	0.233	26%	0.256	C	S	.	.	H	α-helix	trans	-87.2	-39.2	-176.6	-64.5	0	0	0	0	114.2	S242 Q243 L244 Y284 F286 N289	S242-T246 WeakPolarHBondContact O-CB 3.32Å; S242-T246 PolarHBondContact O-N 3.25Å; S242-T246 PolarHBondContact O-OG1 3.35Å; S242-T246 VanDerWaalsContact O-OG1 3.09Å; Q243-T246 PolarHBondContact O-N 3.03Å; L244-T246 VanDerWaalsContact C-N 3.32Å; T246-Y284 HydrophobicContact CG2-CD1 4.39Å; T246-F286 VanDerWaalsContact OG1-CA 3.28Å; T246-F286 WeakPolarHBondContact OG1-CA 3.23Å; T246-F286 WeakPolarHBondContact OG1-CB 3.45Å; T246-F286 PolarHBondContact OG1-N 3.41Å; T246-N289 PolarHBondContact O-ND2 2.88Å
247	V	95.6	Very high	96.8	Very high	22 Å²	22	48.4 Å²	48.4	13%	0.133	25%	0.254	C	S	.	.			trans	-81.7	120.7	-171.2	174.5	0	0	0	0	110.7	Q243 E249 Q250	Q243-V247 HydrophobicContact CG-CG2 3.96Å; Q243-V247 WeakPolarHBondContact O-CB 3.28Å; Q243-V247 VanDerWaalsContact O-CG2 3.29Å; Q243-V247 WeakPolarHBondContact O-CG2 3.49Å; Q243-V247 PolarHBondContact O-N 3.12Å; V247-E249 VanDerWaalsContact C-N 3.3Å; V247-E249 HydrophobicContact CG1-CB 4.26Å; V247-E249 WeakPolarHBondContact CG1-OE2 3.36Å; V247-E249 PolarHBondContact O-N 3.33Å; V247-Q250 HydrophobicContact CB-CG 4.03Å; V247-Q250 HydrophobicContact CG1-CG 4.1Å; V247-Q250 WeakPolarHBondContact O-CB 3.44Å; V247-Q250 PolarHBondContact O-N 3.2Å; V247-Q250 VanDerWaalsContact O-N 3.1Å
248	E	87.9	Confident	96.7	Very high	171 Å²	171	48.7 Å²	48.7	80%	0.799	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-61	-35.7	-173.8	-69.9	-175.7	177.7	0	0	113.3	Q250 Q251	E248-Q250 PolarHBondContact O-N 3.06Å; E248-Q251 PolarHBondContact O-N 3.04Å
249	E	91.8	Very high	96.7	Very high	138 Å²	138	51.8 Å²	51.8	65%	0.645	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62	-16.6	179.1	-63.7	85.4	166.9	0	0	113.1	V247 Q251	V247-E249 VanDerWaalsContact C-N 3.3Å; V247-E249 HydrophobicContact CG1-CB 4.26Å; V247-E249 WeakPolarHBondContact CG1-OE2 3.36Å; V247-E249 PolarHBondContact O-N 3.33Å; E249-Q251 VanDerWaalsContact C-N 3.29Å
250	Q	91.9	Very high	96.5	Very high	94 Å²	94	55.3 Å²	55.3	44%	0.439	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-83.3	-6.7	175.6	-57.1	-62.1	-47.5	0	0	113	L244 V247 E248 F252	L244-Q250 HydrophobicContact CG-CB 4.15Å; L244-Q250 HydrophobicContact CG-CG 4.46Å; L244-Q250 WeakPolarHBondContact O-CB 3.43Å; V247-Q250 HydrophobicContact CB-CG 4.03Å; V247-Q250 HydrophobicContact CG1-CG 4.1Å; V247-Q250 WeakPolarHBondContact O-CB 3.44Å; V247-Q250 PolarHBondContact O-N 3.2Å; V247-Q250 VanDerWaalsContact O-N 3.1Å; E248-Q250 PolarHBondContact O-N 3.06Å; Q250-F252 PolarHBondContact O-N 3.39Å
251	Q	94.5	Very high	96.5	Very high	120 Å²	120	56.8 Å²	56.8	56%	0.561	31%	0.309	S	S	*	.			trans	53	27.4	173.2	-60.9	-171.4	-43.4	0	0	114.7	E248 E249 L253 T254 D255	E248-Q251 PolarHBondContact O-N 3.04Å; E249-Q251 VanDerWaalsContact C-N 3.29Å; Q251-L253 VanDerWaalsContact C-N 3.26Å; Q251-L253 PolarHBondContact O-N 2.55Å; Q251-L253 VanDerWaalsContact O-N 3.16Å; Q251-T254 PolarHBondContact O-N 2.8Å; Q251-T254 PolarHBondContact O-OG1 3.42Å; Q251-D255 WeakPolarHBondContact O-CB 3.31Å; Q251-D255 PolarHBondContact O-N 3.01Å
252	F	97.8	Very high	96.5	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.022	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.9	-175.2	176.1	-102.8	0	0	0	113.6	L244 V245 Q250 T254 Y258 L263 Y293 F302	L244-F252 HydrophobicContact CD2-CB 4.1Å; L244-F252 HydrophobicContact CD2-CD2 3.52Å; L244-F252 HydrophobicContact CD2-CE2 4.34Å; L244-F252 HydrophobicContact CD2-CG 4.09Å; V245-F252 HydrophobicContact CB-CD1 4.29Å; V245-F252 HydrophobicContact CB-CE1 4.45Å; V245-F252 HydrophobicContact CG1-CD1 3.88Å; V245-F252 HydrophobicContact CG1-CE1 3.85Å; V245-F252 HydrophobicContact CG2-CD1 4.23Å; V245-F252 HydrophobicContact CG2-CD2 4.31Å; V245-F252 HydrophobicContact CG2-CE1 4.1Å; V245-F252 HydrophobicContact CG2-CE2 4.17Å; V245-F252 HydrophobicContact CG2-CG 4.34Å; V245-F252 HydrophobicContact CG2-CZ 4.07Å; Q250-F252 PolarHBondContact O-N 3.39Å; F252-T254 VanDerWaalsContact C-N 3.28Å; F252-T254 PolarHBondContact O-N 2.93Å; F252-Y258 HydrophobicContact CB-CE2 4.42Å; F252-Y258 AromaticContact CD2-CD1 3.7Å; F252-Y258 HydrophobicContact CD2-CD1 3.7Å; F252-Y258 AromaticContact CD2-CD2 3.8Å; F252-Y258 HydrophobicContact CD2-CD2 3.8Å; F252-Y258 AromaticContact CD2-CE1 3.95Å; F252-Y258 HydrophobicContact CD2-CE1 3.95Å; F252-Y258 HydrophobicContact CD2-CE2 4.05Å; F252-Y258 AromaticContact CD2-CG 3.63Å; F252-Y258 HydrophobicContact CD2-CG 3.63Å; F252-Y258 AromaticContact CE2-CD1 3.76Å; F252-Y258 HydrophobicContact CE2-CD1 3.76Å; F252-Y258 HydrophobicContact CE2-CD2 4.41Å; F252-Y258 HydrophobicContact CE2-CE1 4.36Å; F252-Y258 AromaticContact CE2-CG 3.8Å; F252-Y258 HydrophobicContact CE2-CG 3.8Å; F252-L263 HydrophobicContact CE2-CD1 4.26Å; F252-L263 HydrophobicContact CZ-CD1 4.02Å; F252-Y293 HydrophobicContact CD1-CD2 4.12Å; F252-Y293 AromaticContact CE1-CD2 3.48Å; F252-Y293 HydrophobicContact CE1-CD2 3.48Å; F252-Y293 VanDerWaalsContact CE1-CD2 3.48Å; F252-Y293 HydrophobicContact CE1-CE2 4.17Å; F252-Y293 AromaticContact CE1-CG 3.8Å; F252-Y293 HydrophobicContact CE1-CG 3.8Å; F252-Y293 AromaticContact CZ-CD2 3.79Å; F252-Y293 HydrophobicContact CZ-CD2 3.79Å; F252-Y293 HydrophobicContact CZ-CE2 4.07Å; F252-Y293 HydrophobicContact CZ-CG 4.11Å; F252-F302 AromaticContact CE1-CE1 3.94Å; F252-F302 HydrophobicContact CE1-CE1 3.94Å; F252-F302 HydrophobicContact CE1-CZ 4.18Å; F252-F302 AromaticContact CZ-CE1 3.65Å; F252-F302 HydrophobicContact CZ-CE1 3.65Å; F252-F302 AromaticContact CZ-CZ 3.64Å; F252-F302 HydrophobicContact CZ-CZ 3.64Å
253	L	97.6	Very high	96.5	Very high	41 Å²	41	55.7 Å²	55.7	22%	0.215	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.8	-177.8	-64.3	179.9	0	0	0	114.7	Q251 N289 L292 Y293 K296	Q251-L253 VanDerWaalsContact C-N 3.26Å; Q251-L253 PolarHBondContact O-N 2.55Å; Q251-L253 VanDerWaalsContact O-N 3.16Å; L253-N289 HydrophobicContact CD2-CB 4.45Å; L253-N289 WeakPolarHBondContact CD2-O 3.14Å; L253-L292 HydrophobicContact CD1-CB 4.4Å; L253-L292 HydrophobicContact CD1-CD1 4.18Å; L253-L292 HydrophobicContact CD2-CB 4.26Å; L253-Y293 HydrophobicContact CD2-CD2 4.23Å; L253-K296 PolarHBondContact O-NZ 2.82Å
254	T	97.1	Very high	96.5	Very high	101 Å²	101	52.1 Å²	52.1	62%	0.62	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	-29.3	-171.3	51.6	0	0	0	0	113.8	Q251 F252 A256	Q251-T254 PolarHBondContact O-N 2.8Å; Q251-T254 PolarHBondContact O-OG1 3.42Å; F252-T254 VanDerWaalsContact C-N 3.28Å; F252-T254 PolarHBondContact O-N 2.93Å; T254-A256 PolarHBondContact O-N 3.33Å
255	D	97.5	Very high	96.6	Very high	63 Å²	63	51.7 Å²	51.7	34%	0.337	28%	0.284	S	S	.	.			trans	-71.8	126.2	-179.8	-169.6	-22.9	0	0	0	111	Q251 L257 Y258	Q251-D255 WeakPolarHBondContact O-CB 3.31Å; Q251-D255 PolarHBondContact O-N 3.01Å; D255-L257 PolarHBondContact O-N 2.97Å; D255-L257 VanDerWaalsContact OD1-CB 3.31Å; D255-L257 WeakPolarHBondContact OD1-CB 3.41Å; D255-L257 PolarHBondContact OD1-N 3.14Å; D255-Y258 HydrophobicContact CB-CD2 3.93Å; D255-Y258 HydrophobicContact CB-CE2 3.89Å; D255-Y258 PolarHBondContact O-N 3.12Å
256	A	97.2	Very high	96.6	Very high	67 Å²	67	52 Å²	52	55%	0.554	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-63.5	-18.4	179.3	0	0	0	0	0	113.5	T254 Y258 N259	T254-A256 PolarHBondContact O-N 3.33Å; A256-Y258 PolarHBondContact O-N 3.12Å; A256-N259 WeakPolarHBondContact O-CB 3.36Å; A256-N259 PolarHBondContact O-N 3.27Å; A256-N259 VanDerWaalsContact O-N 3.07Å
257	L	97.2	Very high	96.6	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.188	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-51.2	-37.3	174.7	177.9	65.4	0	0	0	112.5	G221 D255 N259	G221-L257 WeakPolarHBondContact O-CD2 3.38Å; D255-L257 PolarHBondContact O-N 2.97Å; D255-L257 VanDerWaalsContact OD1-CB 3.31Å; D255-L257 WeakPolarHBondContact OD1-CB 3.41Å; D255-L257 PolarHBondContact OD1-N 3.14Å; L257-N259 VanDerWaalsContact C-N 3.33Å
258	Y	98.4	Very high	96.8	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.02	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-81.8	-13.1	-175.2	-57.5	-70	0	0	0	113	G221 V240 L244 F252 D255 A256 T260 Y293 Q300	G221-Y258 WeakPolarHBondContact CA-OH 3.14Å; V240-Y258 HydrophobicContact CG1-CE1 4.35Å; L244-Y258 HydrophobicContact CD2-CE1 3.86Å; F252-Y258 HydrophobicContact CB-CE2 4.42Å; F252-Y258 AromaticContact CD2-CD1 3.7Å; F252-Y258 HydrophobicContact CD2-CD1 3.7Å; F252-Y258 AromaticContact CD2-CD2 3.8Å; F252-Y258 HydrophobicContact CD2-CD2 3.8Å; F252-Y258 AromaticContact CD2-CE1 3.95Å; F252-Y258 HydrophobicContact CD2-CE1 3.95Å; F252-Y258 HydrophobicContact CD2-CE2 4.05Å; F252-Y258 AromaticContact CD2-CG 3.63Å; F252-Y258 HydrophobicContact CD2-CG 3.63Å; F252-Y258 AromaticContact CE2-CD1 3.76Å; F252-Y258 HydrophobicContact CE2-CD1 3.76Å; F252-Y258 HydrophobicContact CE2-CD2 4.41Å; F252-Y258 HydrophobicContact CE2-CE1 4.36Å; F252-Y258 AromaticContact CE2-CG 3.8Å; F252-Y258 HydrophobicContact CE2-CG 3.8Å; D255-Y258 HydrophobicContact CB-CD2 3.93Å; D255-Y258 HydrophobicContact CB-CE2 3.89Å; D255-Y258 PolarHBondContact O-N 3.12Å; A256-Y258 PolarHBondContact O-N 3.12Å; Y258-T260 PolarHBondContact O-N 2.96Å; Y258-T260 VanDerWaalsContact O-N 3.13Å; Y258-Y293 PolarHBondContact O-OH 2.84Å; Y258-Q300 PolarHBondContact O-NE2 2.88Å
259	N	97.7	Very high	97.2	Very high	66 Å²	66	41.7 Å²	41.7	35%	0.353	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-82.1	12.9	-174.1	-57.6	-9.8	0	0	0	113.6	A256 L257 Y293 H297	A256-N259 WeakPolarHBondContact O-CB 3.36Å; A256-N259 PolarHBondContact O-N 3.27Å; A256-N259 VanDerWaalsContact O-N 3.07Å; L257-N259 VanDerWaalsContact C-N 3.33Å; N259-Y293 WeakPolarHBondContact CA-OH 3.36Å; N259-Y293 PolarHBondContact OD1-OH 2.02Å; N259-H297 VanDerWaalsContact CG-CE1 3.46Å; N259-H297 PolarHBondContact ND2-CE1 3.2Å; N259-H297 PolarHBondContact OD1-CE1 2.7Å; N259-H297 VanDerWaalsContact OD1-CE1 3.27Å; N259-H297 PolarHBondContact OD1-NE2 3.11Å
260	T	96.1	Very high	97.4	Very high	75 Å²	75	36.6 Å²	36.6	46%	0.46	21%	0.213	S	C	.	.	S	Bend	trans	-120.1	135.6	-176.2	-57.2	0	0	0	0	110.9	Y258	Y258-T260 PolarHBondContact O-N 2.96Å; Y258-T260 VanDerWaalsContact O-N 3.13Å
261	G	97.7	Very high	97.6	Very high	30 Å²	30	33.6 Å²	33.6	31%	0.309	20%	0.198	S	C	.	.	S	Bend	trans	68.8	-164.6	176.1	0	0	0	0	0	113.3	T236 Q300	T236-G261 WeakPolarHBondContact O-CA 3.41Å; G261-Q300 VanDerWaalsContact O-CG 3.27Å; G261-Q300 WeakPolarHBondContact O-CG 3.01Å; G261-Q300 PolarHBondContact O-NE2 2.89Å
262	I	98.8	Very high	97.5	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.067	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.4	177.3	-60.3	-178.3	0	0	0	109.6	L182 T185 M186 T236 V237 R238 I264 P301 Y303	L182-I262 HydrophobicContact CD1-CD1 4.09Å; L182-I262 HydrophobicContact CD1-CG2 4.07Å; T185-I262 HydrophobicContact CG2-CD1 3.59Å; T185-I262 HydrophobicContact CG2-CG1 4.46Å; M186-I262 HydrophobicContact CG-CD1 3.76Å; M186-I262 HydrophobicContact SD-CD1 3.37Å; M186-I262 WeakPolarHBondContact SD-CD1 3.46Å; M186-I262 HydrophobicContact SD-CG1 4.47Å; T236-I262 PolarHBondContact O-N 2.85Å; V237-I262 CarbonylContact C-O 3.52Å; V237-I262 WeakPolarHBondContact CA-O 3.33Å; V237-I262 HydrophobicContact CG2-CB 4.43Å; R238-I262 PolarHBondContact N-O 2.85Å; I262-I264 HydrophobicContact CG2-CG1 4.43Å; I262-P301 HydrophobicContact CG1-CB 4.15Å; I262-P301 HydrophobicContact CG1-CG 4.26Å; I262-P301 HydrophobicContact CG2-CB 4.22Å; I262-Y303 HydrophobicContact CG2-CD2 3.62Å; I262-Y303 HydrophobicContact CG2-CE2 3.64Å
263	L	98.9	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.4	170.9	-62.7	-179.6	0	0	0	110.8	R238 F252 Y293 P301 F302 Y303	R238-L263 HydrophobicContact CB-CD2 3.89Å; R238-L263 HydrophobicContact CG-CD2 4.26Å; R238-L263 WeakPolarHBondContact O-CA 3.28Å; F252-L263 HydrophobicContact CE2-CD1 4.26Å; F252-L263 HydrophobicContact CZ-CD1 4.02Å; L263-Y293 HydrophobicContact CD1-CD1 4.25Å; L263-Y293 HydrophobicContact CD1-CE1 3.5Å; L263-Y293 HydrophobicContact CD1-CE2 4.4Å; L263-P301 PolarHBondContact N-O 2.88Å; L263-F302 HydrophobicContact CB-CB 4.02Å; L263-F302 HydrophobicContact CB-CD1 4.47Å; L263-F302 HydrophobicContact CB-CD2 3.23Å; L263-F302 HydrophobicContact CB-CE2 3.66Å; L263-F302 HydrophobicContact CB-CG 3.68Å; L263-F302 HydrophobicContact CB-CZ 4.44Å; L263-F302 HydrophobicContact CD1-CD1 4.2Å; L263-F302 HydrophobicContact CD1-CD2 4.33Å; L263-F302 HydrophobicContact CD1-CE1 4.35Å; L263-F302 HydrophobicContact CD1-CE2 4.46Å; L263-F302 HydrophobicContact CD1-CG 4.18Å; L263-F302 HydrophobicContact CD1-CZ 4.46Å; L263-F302 HydrophobicContact CG-CD2 4.43Å; L263-F302 CarbonylContact O-C 3.54Å; L263-F302 VanDerWaalsContact O-CA 3.31Å; L263-F302 WeakPolarHBondContact O-CA 3.38Å; L263-Y303 PolarHBondContact O-N 3.07Å
264	I	98.9	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.8	168.3	-54.6	171.9	0	0	0	107	M160 L182 V237 R238 L239 V240 I262 Y303 L305 I339	M160-I264 HydrophobicContact CE-CD1 4.2Å; M160-I264 HydrophobicContact CE-CG2 4.39Å; M160-I264 HydrophobicContact SD-CG2 3.96Å; L182-I264 HydrophobicContact CD2-CD1 3.8Å; V237-I264 HydrophobicContact CG1-CD1 3.69Å; V237-I264 HydrophobicContact CG1-CG1 4.18Å; R238-I264 PolarHBondContact O-N 3.3Å; L239-I264 CarbonylContact C-O 3.59Å; L239-I264 WeakPolarHBondContact CA-O 3.27Å; L239-I264 HydrophobicContact CD1-CB 3.8Å; L239-I264 HydrophobicContact CD1-CG2 3.65Å; V240-I264 WeakPolarHBondContact CG2-O 3.25Å; V240-I264 PolarHBondContact N-O 3.13Å; I262-I264 HydrophobicContact CG2-CG1 4.43Å; I264-Y303 CarbonylContact C-O 3.24Å; I264-Y303 WeakPolarHBondContact CA-O 3.22Å; I264-L305 HydrophobicContact CG2-CB 4.15Å; I264-I339 HydrophobicContact CD1-CG2 4.41Å
265	V	98.9	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.5	170.7	60.8	0	0	0	0	110.2	V240 V245 F286 Y290 F302 Y303 I304 L305	V240-V265 HydrophobicContact CG2-CB 3.9Å; V240-V265 HydrophobicContact CG2-CG2 4.18Å; V240-V265 VanDerWaalsContact O-CA 3.29Å; V240-V265 WeakPolarHBondContact O-CA 3.39Å; V245-V265 HydrophobicContact CG2-CB 4.41Å; V245-V265 HydrophobicContact CG2-CG2 3.86Å; V265-F286 HydrophobicContact CG1-CD2 3.95Å; V265-F286 HydrophobicContact CG1-CE2 3.56Å; V265-F286 HydrophobicContact CG1-CZ 4.38Å; V265-F286 HydrophobicContact CG2-CD2 3.94Å; V265-F286 HydrophobicContact CG2-CE2 4.12Å; V265-F286 HydrophobicContact CG2-CG 4.33Å; V265-Y290 HydrophobicContact CG1-CD2 4.03Å; V265-Y290 HydrophobicContact CG1-CE2 4.41Å; V265-F302 HydrophobicContact CB-CE2 3.69Å; V265-F302 HydrophobicContact CB-CZ 4.02Å; V265-F302 HydrophobicContact CG1-CE2 3.71Å; V265-F302 HydrophobicContact CG1-CZ 4.03Å; V265-Y303 PolarHBondContact N-O 3.04Å; V265-I304 HydrophobicContact CG1-CB 4.27Å; V265-I304 HydrophobicContact CG1-CG1 3.85Å; V265-I304 HydrophobicContact CG1-CG2 4.33Å; V265-I304 CarbonylContact O-C 3.39Å; V265-I304 WeakPolarHBondContact O-CA 3.49Å; V265-L305 PolarHBondContact O-N 3.02Å
266	W	98.9	Very high	97	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.027	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.5	171.8	75.4	-77.2	0	0	0	111.1	L239 V240 N241 S242 P268 L305 Q310 P329 S332 L335 H379	L239-W266 HydrophobicContact CD1-CG 4.39Å; V240-W266 PolarHBondContact O-N 2.86Å; N241-W266 CarbonylContact C-O 3.57Å; N241-W266 HydrophobicContact CB-CZ2 4.29Å; S242-W266 WeakPolarHBondContact CB-O 3.1Å; S242-W266 PolarHBondContact N-O 3.15Å; W266-P268 HydrophobicContact CH2-CG 4.47Å; W266-P268 HydrophobicContact CZ3-CG 4.05Å; W266-L305 HydrophobicContact CB-CB 3.78Å; W266-L305 HydrophobicContact CB-CD2 3.71Å; W266-L305 HydrophobicContact CB-CG 4.35Å; W266-L305 HydrophobicContact CG-CD2 4.49Å; W266-Q310 VanDerWaalsContact CZ3-OE1 3.24Å; W266-P329 HydrophobicContact CH2-CB 4.41Å; W266-P329 HydrophobicContact CH2-CG 4.11Å; W266-P329 HydrophobicContact CZ3-CB 3.95Å; W266-P329 HydrophobicContact CZ3-CG 3.83Å; W266-S332 VanDerWaalsContact CZ2-OG 3.28Å; W266-S332 WeakPolarHBondContact CZ2-OG 3.3Å; W266-S332 PolarHBondContact NE1-OG 3Å; W266-L335 HydrophobicContact CD2-CD1 3.42Å; W266-L335 VanDerWaalsContact CD2-CD1 3.42Å; W266-L335 HydrophobicContact CE3-CD1 3.54Å; W266-L335 HydrophobicContact CG-CD1 3.94Å; W266-L335 HydrophobicContact CH2-CD1 4Å; W266-L335 HydrophobicContact CZ2-CD1 3.94Å; W266-L335 HydrophobicContact CZ3-CD1 3.82Å; W266-H379 AromaticContact CH2-CE1 3.99Å
267	D	98.8	Very high	96.9	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.178	C	C	.	.			trans	-134.8	135	-178.5	-176.5	65.8	0	0	0	110.3	S242 A269 W278 P282 D283 Y284 F286 Q310	S242-D267 WeakPolarHBondContact CB-OD1 3.3Å; S242-D267 PolarHBondContact OG-OD1 3.44Å; D267-A269 PolarHBondContact O-N 3Å; D267-W278 HydrophobicContact CB-CZ2 4.02Å; D267-W278 PolarHBondContact OD2-NE1 2.76Å; D267-P282 VanDerWaalsContact OD2-CA 3.32Å; D267-P282 WeakPolarHBondContact OD2-CA 3.38Å; D267-P282 VanDerWaalsContact OD2-CB 3.23Å; D267-P282 WeakPolarHBondContact OD2-CB 3.3Å; D267-D283 PolarHBondContact OD1-N 3.49Å; D267-D283 PolarHBondContact OD2-N 2.78Å; D267-Y284 PolarHBondContact OD1-N 2.65Å; D267-F286 HydrophobicContact CB-CD1 4.18Å; D267-F286 HydrophobicContact CB-CE1 3.67Å; D267-Q310 PolarHBondContact O-NE2 2.66Å
268	P	98.3	Very high	97	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.065	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-58.1	120.1	170.1	-26.4	36.3	0	0	0	112.2	Y130 W266 D283 P329	Y130-P268 HydrophobicContact CD1-CB 4.35Å; Y130-P268 HydrophobicContact CE1-CB 3.44Å; Y130-P268 VanDerWaalsContact CE1-CB 3.44Å; Y130-P268 WeakPolarHBondContact OH-CB 3.34Å; W266-P268 HydrophobicContact CH2-CG 4.47Å; W266-P268 HydrophobicContact CZ3-CG 4.05Å; P268-D283 HydrophobicContact CB-CB 4.04Å; P268-D283 HydrophobicContact CG-CB 4.34Å; P268-D283 WeakPolarHBondContact O-CB 3.21Å; P268-P329 HydrophobicContact CB-CG 3.94Å; P268-P329 HydrophobicContact CG-CG 3.95Å
269	A	96.6	Very high	96.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-97.9	159.1	172.2	0	0	0	0	0	110.5	Y130 D267 W278 P307 W311	Y130-A269 WeakPolarHBondContact CD1-O 3.19Å; D267-A269 PolarHBondContact O-N 3Å; A269-W278 HydrophobicContact CB-CB 4.08Å; A269-W278 HydrophobicContact CB-CG 3.93Å; A269-P307 HydrophobicContact CB-CB 3.58Å; A269-W311 VanDerWaalsContact O-CE2 3.31Å; A269-W311 VanDerWaalsContact O-CZ2 3.23Å; A269-W311 WeakPolarHBondContact O-CZ2 3.4Å; A269-W311 PolarHBondContact O-NE1 3.49Å
270	P	96.2	Very high	96.8	Very high	32 Å²	32	40.4 Å²	40.4	21%	0.208	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-54.8	150.5	163.2	-15.5	27.7	0	0	0	110.7	H272 A273 W311	P270-H272 PolarHBondContact O-N 2.93Å; P270-A273 HydrophobicContact CB-CB 3.96Å; P270-A273 HydrophobicContact CG-CB 4.16Å; P270-A273 VanDerWaalsContact O-CB 3.3Å; P270-A273 WeakPolarHBondContact O-CB 3.36Å; P270-A273 PolarHBondContact O-N 3.17Å; P270-A273 VanDerWaalsContact O-N 3.14Å; P270-W311 PolarHBondContact O-NE1 3.41Å
271	Y	96.6	Very high	96.8	Very high	31 Å²	31	44.7 Å²	44.7	12%	0.122	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	126.3	-175	-177.4	-113.1	0	0	0	111.3	Y130 V132 A273 W311 W314 D315	Y130-Y271 VanDerWaalsContact O-CB 3.31Å; Y130-Y271 WeakPolarHBondContact O-CB 3.37Å; Y130-Y271 PolarHBondContact O-N 3.28Å; V132-Y271 HydrophobicContact CB-CD2 4.35Å; V132-Y271 HydrophobicContact CB-CG 4.22Å; V132-Y271 HydrophobicContact CG1-CD1 4.41Å; V132-Y271 HydrophobicContact CG1-CD2 4Å; V132-Y271 HydrophobicContact CG1-CE1 4.41Å; V132-Y271 HydrophobicContact CG1-CE2 4Å; V132-Y271 HydrophobicContact CG1-CG 4.2Å; V132-Y271 HydrophobicContact CG2-CD2 4.01Å; V132-Y271 HydrophobicContact CG2-CG 4.08Å; Y271-A273 PolarHBondContact O-N 3.07Å; Y271-W311 HydrophobicContact CD2-CB 4.24Å; Y271-W311 AromaticContact CD2-CD2 3.69Å; Y271-W311 HydrophobicContact CD2-CD2 3.69Å; Y271-W311 AromaticContact CD2-CE3 3.56Å; Y271-W311 HydrophobicContact CD2-CE3 3.56Å; Y271-W311 AromaticContact CD2-CG 3.99Å; Y271-W311 HydrophobicContact CD2-CG 3.99Å; Y271-W311 HydrophobicContact CD2-CZ3 4.15Å; Y271-W311 HydrophobicContact CE2-CB 4.39Å; Y271-W311 HydrophobicContact CE2-CD2 4.45Å; Y271-W311 HydrophobicContact CE2-CE3 4.1Å; Y271-W314 HydrophobicContact CE2-CE3 4.09Å; Y271-W314 HydrophobicContact CE2-CZ3 4.35Å; Y271-D315 WeakPolarHBondContact CE2-OD1 3.2Å; Y271-D315 PolarHBondContact OH-OD1 3.29Å
272	H	93.1	Very high	96.8	Very high	114 Å²	114	44.1 Å²	44.1	53%	0.528	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	19	-176.8	-65.7	175.2	0	0	0	115.6	P270 D315	P270-H272 PolarHBondContact O-N 2.93Å; H272-D315 IonicContact CE1-OD2 3.49Å; H272-D315 IonicContact NE2-OD1 2.7Å; H272-D315 IonicContact NE2-OD2 2.86Å; H272-D315 PolarHBondContact NE2-OD2 2.94Å
273	A	94	Very high	96.7	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.041	21%	0.209	C	C	.	.			trans	-59.4	143.3	174.5	0	0	0	0	0	111.7	P270 Y271 E277	P270-A273 HydrophobicContact CB-CB 3.96Å; P270-A273 HydrophobicContact CG-CB 4.16Å; P270-A273 VanDerWaalsContact O-CB 3.3Å; P270-A273 WeakPolarHBondContact O-CB 3.36Å; P270-A273 PolarHBondContact O-N 3.17Å; P270-A273 VanDerWaalsContact O-N 3.14Å; Y271-A273 PolarHBondContact O-N 3.07Å; A273-E277 HydrophobicContact CB-CB 4.22Å; A273-E277 HydrophobicContact CB-CG 4.19Å
274	D	93.6	Very high	96.7	Very high	77 Å²	77	48.8 Å²	48.8	41%	0.412	22%	0.221	S	C	.	.			trans	-71.8	165	167.1	76.4	51.6	0	0	0	111.2	H276 E277 W278	D274-H276 VanDerWaalsContact C-N 3.26Å; D274-H276 PolarHBondContact O-N 2.82Å; D274-H276 VanDerWaalsContact OD1-CA 3.3Å; D274-H276 WeakPolarHBondContact OD1-CA 3.35Å; D274-H276 VanDerWaalsContact OD1-CB 3.25Å; D274-H276 WeakPolarHBondContact OD1-CB 3.2Å; D274-H276 PolarHBondContact OD1-N 2.95Å; D274-E277 PolarHBondContact O-N 3.18Å; D274-E277 PolarHBondContact OD1-N 3.13Å; D274-W278 PolarHBondContact O-N 2.93Å
275	I	95.3	Very high	96.6	Very high	25 Å²	25	57 Å²	57	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-28.5	-176.1	-169.8	172.7	0	0	0	112.8	V161 D165 G166 F168 W278 Y279	V161-I275 HydrophobicContact CG1-CD1 4.27Å; V161-I275 HydrophobicContact CG2-CD1 4.16Å; D165-I275 HydrophobicContact CB-CD1 3.77Å; G166-I275 WeakPolarHBondContact O-CG2 3.12Å; F168-I275 HydrophobicContact CD2-CD1 3.81Å; F168-I275 HydrophobicContact CD2-CG1 4.4Å; F168-I275 HydrophobicContact CE2-CD1 3.7Å; F168-I275 HydrophobicContact CE2-CG1 3.93Å; I275-W278 HydrophobicContact CG1-CE3 3.92Å; I275-W278 HydrophobicContact CG1-CZ3 4.11Å; I275-Y279 WeakPolarHBondContact O-CB 3.43Å; I275-Y279 PolarHBondContact O-N 3.21Å
276	H	95.9	Very high	96.6	Very high	82 Å²	82	57 Å²	57	38%	0.38	26%	0.257	S	S	.	.	H	α-helix	trans	-73.8	-42.4	176.2	-70	-83.4	0	0	0	111.3	D274 Y279 R280	D274-H276 VanDerWaalsContact C-N 3.26Å; D274-H276 PolarHBondContact O-N 2.82Å; D274-H276 VanDerWaalsContact OD1-CA 3.3Å; D274-H276 WeakPolarHBondContact OD1-CA 3.35Å; D274-H276 VanDerWaalsContact OD1-CB 3.25Å; D274-H276 WeakPolarHBondContact OD1-CB 3.2Å; D274-H276 PolarHBondContact OD1-N 2.95Å; H276-Y279 PolarHBondContact O-N 2.84Å; H276-R280 WeakPolarHBondContact O-CG 3.49Å; H276-R280 PolarHBondContact O-N 2.84Å
277	E	95.9	Very high	96.6	Very high	88 Å²	88	57.5 Å²	57.5	41%	0.411	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-49.5	174.7	-176.6	-179.1	179.7	0	0	110.8	A273 D274 Y279 R280 K281	A273-E277 HydrophobicContact CB-CB 4.22Å; A273-E277 HydrophobicContact CB-CG 4.19Å; D274-E277 PolarHBondContact O-N 3.18Å; D274-E277 PolarHBondContact OD1-N 3.13Å; E277-Y279 PolarHBondContact O-N 3.25Å; E277-R280 PolarHBondContact O-N 2.94Å; E277-K281 PolarHBondContact O-N 2.71Å
278	W	97.6	Very high	96.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-46.2	175.3	166.5	64.4	0	0	0	112.1	V161 F168 D267 A269 D274 I275 R280 K281 P282 F286 F287 I304 P307	V161-W278 HydrophobicContact CG2-CZ3 4.31Å; F168-W278 AromaticContact CE2-CZ3 3.91Å; F168-W278 HydrophobicContact CE2-CZ3 3.91Å; F168-W278 HydrophobicContact CZ-CH2 4.27Å; F168-W278 AromaticContact CZ-CZ3 3.8Å; F168-W278 HydrophobicContact CZ-CZ3 3.8Å; D267-W278 HydrophobicContact CB-CZ2 4.02Å; D267-W278 PolarHBondContact OD2-NE1 2.76Å; A269-W278 HydrophobicContact CB-CB 4.08Å; A269-W278 HydrophobicContact CB-CG 3.93Å; D274-W278 PolarHBondContact O-N 2.93Å; I275-W278 HydrophobicContact CG1-CE3 3.92Å; I275-W278 HydrophobicContact CG1-CZ3 4.11Å; W278-R280 VanDerWaalsContact C-N 3.27Å; W278-R280 PolarHBondContact O-N 2.88Å; W278-K281 CarbonylContact O-C 3.59Å; W278-K281 PolarHBondContact O-N 3.42Å; W278-P282 WeakPolarHBondContact O-CD 3.43Å; W278-F286 HydrophobicContact CH2-CZ 4.12Å; W278-F286 AromaticContact CZ2-CE1 3.83Å; W278-F286 HydrophobicContact CZ2-CE1 3.83Å; W278-F286 AromaticContact CZ2-CZ 3.85Å; W278-F286 HydrophobicContact CZ2-CZ 3.85Å; W278-F287 HydrophobicContact CH2-CE1 4Å; W278-F287 AromaticContact CH2-CZ 3.96Å; W278-F287 HydrophobicContact CH2-CZ 3.96Å; W278-F287 HydrophobicContact CZ2-CE1 4.35Å; W278-F287 HydrophobicContact CZ2-CZ 4.07Å; W278-F287 HydrophobicContact CZ3-CZ 4.27Å; W278-I304 HydrophobicContact CH2-CG2 3.75Å; W278-I304 HydrophobicContact CZ2-CG2 4.44Å; W278-P307 HydrophobicContact CB-CB 4.47Å; W278-P307 HydrophobicContact CB-CG 4.33Å; W278-P307 HydrophobicContact CD2-CB 3.91Å; W278-P307 HydrophobicContact CD2-CG 3.76Å; W278-P307 HydrophobicContact CE3-CB 4.28Å; W278-P307 HydrophobicContact CE3-CG 3.62Å; W278-P307 HydrophobicContact CG-CB 3.99Å; W278-P307 HydrophobicContact CG-CG 4.08Å; W278-P307 HydrophobicContact CZ3-CG 4.14Å
279	Y	97.4	Very high	96.5	Very high	69 Å²	69	64 Å²	64	27%	0.271	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-35.9	179.5	-177.8	-92.8	0	0	0	113	P167 F168 W173 I275 H276 E277 K281 F287	P167-Y279 HydrophobicContact CB-CD1 4.45Å; P167-Y279 HydrophobicContact CG-CD1 3.39Å; P167-Y279 HydrophobicContact CG-CD2 3.73Å; P167-Y279 HydrophobicContact CG-CE1 3.8Å; P167-Y279 HydrophobicContact CG-CE2 4.1Å; P167-Y279 HydrophobicContact CG-CG 3.34Å; F168-Y279 HydrophobicContact CE1-CD2 4.22Å; F168-Y279 HydrophobicContact CE1-CE2 4.16Å; F168-Y279 HydrophobicContact CE2-CD2 4.01Å; F168-Y279 AromaticContact CZ-CD2 3.65Å; F168-Y279 HydrophobicContact CZ-CD2 3.65Å; F168-Y279 HydrophobicContact CZ-CE2 4.07Å; W173-Y279 AromaticContact CE2-CE2 3.92Å; W173-Y279 AromaticContact CZ2-CE2 3.76Å; W173-Y279 HydrophobicContact CZ2-CE2 3.76Å; W173-Y279 AromaticContact NE1-CE2 3.62Å; W173-Y279 AromaticContact NE1-CZ 3.68Å; W173-Y279 PolarHBondContact NE1-OH 2.86Å; W173-Y279 VanDerWaalsContact NE1-OH 3.07Å; I275-Y279 WeakPolarHBondContact O-CB 3.43Å; I275-Y279 PolarHBondContact O-N 3.21Å; H276-Y279 PolarHBondContact O-N 2.84Å; E277-Y279 PolarHBondContact O-N 3.25Å; Y279-K281 VanDerWaalsContact C-N 3.33Å; Y279-F287 HydrophobicContact CD2-CD2 4.25Å; Y279-F287 HydrophobicContact CD2-CE1 4.12Å; Y279-F287 AromaticContact CD2-CE2 3.61Å; Y279-F287 HydrophobicContact CD2-CE2 3.61Å; Y279-F287 AromaticContact CD2-CZ 3.54Å; Y279-F287 HydrophobicContact CD2-CZ 3.54Å; Y279-F287 HydrophobicContact CE2-CD1 4.45Å; Y279-F287 HydrophobicContact CE2-CD2 4.05Å; Y279-F287 HydrophobicContact CE2-CE1 4.3Å; Y279-F287 AromaticContact CE2-CE2 3.89Å; Y279-F287 HydrophobicContact CE2-CE2 3.89Å; Y279-F287 HydrophobicContact CE2-CG 4.34Å; Y279-F287 HydrophobicContact CE2-CZ 4.02Å; Y279-F287 HydrophobicContact CG-CE2 4.28Å; Y279-F287 HydrophobicContact CG-CZ 4.41Å
280	R	96.1	Very high	96.6	Very high	186 Å²	186	64 Å²	64	70%	0.702	29%	0.29	S	S	*	.	H	α-helix	trans	-68.7	-33.1	176.7	-71.3	-179.6	-142.4	125.4	2.6	112.3	H276 E277 W278	H276-R280 WeakPolarHBondContact O-CG 3.49Å; H276-R280 PolarHBondContact O-N 2.84Å; E277-R280 PolarHBondContact O-N 2.94Å; W278-R280 VanDerWaalsContact C-N 3.27Å; W278-R280 PolarHBondContact O-N 2.88Å
281	K	94.6	Very high	96.7	Very high	166 Å²	166	63.7 Å²	63.7	72%	0.722	29%	0.285	S	S	*	.	S	Bend	trans	-142	69.3	-174.6	-165.4	-176.5	177.6	-174.7	0	111.3	E277 W278 Y279	E277-K281 PolarHBondContact O-N 2.71Å; W278-K281 CarbonylContact O-C 3.59Å; W278-K281 PolarHBondContact O-N 3.42Å; Y279-K281 VanDerWaalsContact C-N 3.33Å
282	P	97.3	Very high	96.8	Very high	17 Å²	17	66.1 Å²	66.1	11%	0.11	30%	0.3	C	S	.	.			trans	-68.5	158.2	172.5	32.5	-37.3	0	0	0	109.7	D267 W278 Y284 K285 F287	D267-P282 VanDerWaalsContact OD2-CA 3.32Å; D267-P282 WeakPolarHBondContact OD2-CA 3.38Å; D267-P282 VanDerWaalsContact OD2-CB 3.23Å; D267-P282 WeakPolarHBondContact OD2-CB 3.3Å; W278-P282 WeakPolarHBondContact O-CD 3.43Å; P282-Y284 VanDerWaalsContact C-N 3.3Å; P282-Y284 WeakPolarHBondContact CB-O 3.28Å; P282-K285 HydrophobicContact CG-CG 4.33Å; P282-F287 HydrophobicContact CB-CE2 4.3Å; P282-F287 HydrophobicContact CG-CE2 3.97Å
283	D	97.9	Very high	97.1	Very high	44 Å²	44	60.7 Å²	60.7	24%	0.235	28%	0.275	C	S	.	.	S	Bend	trans	-66.1	-39	177.1	-159.9	20.2	0	0	0	110.7	K129 Y130 D267 P268	K129-D283 WeakPolarHBondContact CE-OD1 3.36Å; K129-D283 IonicContact NZ-OD1 3.61Å; K129-D283 PolarHBondContact NZ-OD1 2.97Å; K129-D283 IonicContact NZ-OD2 2.84Å; K129-D283 PolarHBondContact NZ-OD2 3.44Å; Y130-D283 PolarHBondContact OH-OD2 3.03Å; D267-D283 PolarHBondContact OD1-N 3.49Å; D267-D283 PolarHBondContact OD2-N 2.78Å; P268-D283 HydrophobicContact CB-CB 4.04Å; P268-D283 HydrophobicContact CG-CB 4.34Å; P268-D283 WeakPolarHBondContact O-CB 3.21Å
284	Y	98.3	Very high	97.3	Very high	67 Å²	67	61.8 Å²	61.8	26%	0.263	28%	0.278	S	S	.	.	S	Bend	trans	-125.9	138.4	168.6	-67.8	-93.3	0	0	0	111.3	Q243 T246 D267 P282 F286	Q243-Y284 HydrophobicContact CB-CD1 4.06Å; Q243-Y284 HydrophobicContact CB-CD2 3.85Å; Q243-Y284 HydrophobicContact CB-CE1 3.86Å; Q243-Y284 HydrophobicContact CB-CE2 3.65Å; Q243-Y284 HydrophobicContact CB-CG 4.06Å; Q243-Y284 HydrophobicContact CG-CD1 4.15Å; Q243-Y284 HydrophobicContact CG-CE1 3.58Å; Q243-Y284 HydrophobicContact CG-CE2 4.11Å; Q243-Y284 PolarHBondContact NE2-OH 3.38Å; T246-Y284 HydrophobicContact CG2-CD1 4.39Å; D267-Y284 PolarHBondContact OD1-N 2.65Å; P282-Y284 VanDerWaalsContact C-N 3.3Å; P282-Y284 WeakPolarHBondContact CB-O 3.28Å; Y284-F286 WeakPolarHBondContact O-CD1 3.44Å; Y284-F286 PolarHBondContact O-N 3.05Å
285	K	97.4	Very high	97.5	Very high	174 Å²	174	62.5 Å²	62.5	76%	0.757	28%	0.281	S	S	*	.			trans	-79.2	66.5	-178.7	-64.9	-177.8	178.6	-178.7	0	111.5	P282	P282-K285 HydrophobicContact CG-CG 4.33Å
286	F	98.5	Very high	97.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	30%	0.299	C	S	.	.			trans	-81.5	-13.2	-174	73.5	-86.7	0	0	0	114.7	V245 T246 V265 D267 W278 Y284 E288 N289 Y290 I304	V245-F286 HydrophobicContact CB-CB 4.12Å; V245-F286 HydrophobicContact CG1-CB 3.97Å; T246-F286 VanDerWaalsContact OG1-CA 3.28Å; T246-F286 WeakPolarHBondContact OG1-CA 3.23Å; T246-F286 WeakPolarHBondContact OG1-CB 3.45Å; T246-F286 PolarHBondContact OG1-N 3.41Å; V265-F286 HydrophobicContact CG1-CD2 3.95Å; V265-F286 HydrophobicContact CG1-CE2 3.56Å; V265-F286 HydrophobicContact CG1-CZ 4.38Å; V265-F286 HydrophobicContact CG2-CD2 3.94Å; V265-F286 HydrophobicContact CG2-CE2 4.12Å; V265-F286 HydrophobicContact CG2-CG 4.33Å; D267-F286 HydrophobicContact CB-CD1 4.18Å; D267-F286 HydrophobicContact CB-CE1 3.67Å; W278-F286 HydrophobicContact CH2-CZ 4.12Å; W278-F286 AromaticContact CZ2-CE1 3.83Å; W278-F286 HydrophobicContact CZ2-CE1 3.83Å; W278-F286 AromaticContact CZ2-CZ 3.85Å; W278-F286 HydrophobicContact CZ2-CZ 3.85Å; Y284-F286 WeakPolarHBondContact O-CD1 3.44Å; Y284-F286 PolarHBondContact O-N 3.05Å; F286-E288 VanDerWaalsContact C-N 3.35Å; F286-E288 PolarHBondContact O-N 3.12Å; F286-N289 PolarHBondContact O-N 2.61Å; F286-Y290 WeakPolarHBondContact O-CB 3.5Å; F286-Y290 PolarHBondContact O-N 2.84Å; F286-I304 HydrophobicContact CE2-CD1 4.08Å; F286-I304 HydrophobicContact CE2-CG1 4.22Å; F286-I304 HydrophobicContact CE2-CG2 4.15Å; F286-I304 HydrophobicContact CZ-CG2 3.86Å
287	F	98.4	Very high	97.7	Very high	17 Å²	17	65 Å²	65	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-57.8	-39.7	-171.3	-64.1	-54.8	0	0	0	114.5	F168 W173 W278 Y279 P282 Y290 K291	F168-F287 HydrophobicContact CE1-CD1 4.38Å; F168-F287 AromaticContact CE1-CE1 3.96Å; F168-F287 HydrophobicContact CE1-CE1 3.96Å; F168-F287 AromaticContact CZ-CE1 3.74Å; F168-F287 HydrophobicContact CZ-CE1 3.74Å; F168-F287 HydrophobicContact CZ-CZ 4.16Å; W173-F287 HydrophobicContact CH2-CB 3.85Å; W173-F287 AromaticContact CH2-CD1 3.59Å; W173-F287 HydrophobicContact CH2-CD1 3.59Å; W173-F287 HydrophobicContact CH2-CE1 4.5Å; W173-F287 HydrophobicContact CH2-CG 4.02Å; W173-F287 HydrophobicContact CZ2-CB 3.93Å; W173-F287 AromaticContact CZ2-CD1 3.8Å; W173-F287 HydrophobicContact CZ2-CD1 3.8Å; W173-F287 AromaticContact CZ2-CG 3.97Å; W173-F287 HydrophobicContact CZ2-CG 3.97Å; W278-F287 HydrophobicContact CH2-CE1 4Å; W278-F287 AromaticContact CH2-CZ 3.96Å; W278-F287 HydrophobicContact CH2-CZ 3.96Å; W278-F287 HydrophobicContact CZ2-CE1 4.35Å; W278-F287 HydrophobicContact CZ2-CZ 4.07Å; W278-F287 HydrophobicContact CZ3-CZ 4.27Å; Y279-F287 HydrophobicContact CD2-CD2 4.25Å; Y279-F287 HydrophobicContact CD2-CE1 4.12Å; Y279-F287 AromaticContact CD2-CE2 3.61Å; Y279-F287 HydrophobicContact CD2-CE2 3.61Å; Y279-F287 AromaticContact CD2-CZ 3.54Å; Y279-F287 HydrophobicContact CD2-CZ 3.54Å; Y279-F287 HydrophobicContact CE2-CD1 4.45Å; Y279-F287 HydrophobicContact CE2-CD2 4.05Å; Y279-F287 HydrophobicContact CE2-CE1 4.3Å; Y279-F287 AromaticContact CE2-CE2 3.89Å; Y279-F287 HydrophobicContact CE2-CE2 3.89Å; Y279-F287 HydrophobicContact CE2-CG 4.34Å; Y279-F287 HydrophobicContact CE2-CZ 4.02Å; Y279-F287 HydrophobicContact CG-CE2 4.28Å; Y279-F287 HydrophobicContact CG-CZ 4.41Å; P282-F287 HydrophobicContact CB-CE2 4.3Å; P282-F287 HydrophobicContact CG-CE2 3.97Å; F287-Y290 WeakPolarHBondContact O-CB 3.36Å; F287-Y290 PolarHBondContact O-N 2.81Å; F287-K291 WeakPolarHBondContact O-CG 3.41Å; F287-K291 PolarHBondContact O-N 2.97Å
288	E	97.8	Very high	97.8	Very high	113 Å²	113	64.1 Å²	64.1	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-70.7	-43.4	179.3	-65.8	-52.8	122.9	0	0	111.6	F286 Y290 K291 L292	F286-E288 VanDerWaalsContact C-N 3.35Å; F286-E288 PolarHBondContact O-N 3.12Å; E288-Y290 VanDerWaalsContact C-N 3.3Å; E288-Y290 PolarHBondContact O-N 2.95Å; E288-K291 PolarHBondContact O-N 2.69Å; E288-K291 IonicContact OE1-NZ 3.39Å; E288-K291 PolarHBondContact OE1-NZ 3.11Å; E288-L292 WeakPolarHBondContact O-CG 3.46Å; E288-L292 PolarHBondContact O-N 3.1Å
289	N	98.6	Very high	97.7	Very high	36 Å²	36	72.3 Å²	72.3	19%	0.193	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-35.9	174.5	-70.7	0.4	0	0	0	111.8	V245 T246 L253 F286 L292 Y293	V245-N289 HydrophobicContact CG1-CB 3.94Å; V245-N289 WeakPolarHBondContact O-CB 3.49Å; V245-N289 PolarHBondContact O-ND2 3.42Å; T246-N289 PolarHBondContact O-ND2 2.88Å; L253-N289 HydrophobicContact CD2-CB 4.45Å; L253-N289 WeakPolarHBondContact CD2-O 3.14Å; F286-N289 PolarHBondContact O-N 2.61Å; N289-L292 PolarHBondContact O-N 3.01Å; N289-Y293 WeakPolarHBondContact O-CB 3.46Å; N289-Y293 PolarHBondContact O-N 2.8Å
290	Y	98.8	Very high	97.8	Very high	0 Å²	0	70 Å²	70	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-49.5	171.2	174.7	-86.3	0	0	0	111.4	W173 Y176 L177 V265 F286 F287 E288 L292 Y293 R294 F302 I304	W173-Y290 HydrophobicContact CH2-CD1 4.34Å; W173-Y290 AromaticContact CZ3-CD1 3.83Å; W173-Y290 HydrophobicContact CZ3-CD1 3.83Å; W173-Y290 AromaticContact CZ3-CE1 3.92Å; W173-Y290 HydrophobicContact CZ3-CE1 3.92Å; Y176-Y290 PolarHBondContact O-OH 2.89Å; L177-Y290 HydrophobicContact CD2-CE1 4.2Å; V265-Y290 HydrophobicContact CG1-CD2 4.03Å; V265-Y290 HydrophobicContact CG1-CE2 4.41Å; F286-Y290 WeakPolarHBondContact O-CB 3.5Å; F286-Y290 PolarHBondContact O-N 2.84Å; F287-Y290 WeakPolarHBondContact O-CB 3.36Å; F287-Y290 PolarHBondContact O-N 2.81Å; E288-Y290 VanDerWaalsContact C-N 3.3Å; E288-Y290 PolarHBondContact O-N 2.95Å; Y290-L292 PolarHBondContact O-N 2.78Å; Y290-Y293 PolarHBondContact O-N 2.82Å; Y290-R294 HydrophobicContact CD1-CG 4.18Å; Y290-R294 HydrophobicContact CE1-CG 3.75Å; Y290-R294 HydrophobicContact CE2-CG 4.43Å; Y290-R294 WeakPolarHBondContact O-CG 3.17Å; Y290-R294 PolarHBondContact O-N 2.98Å; Y290-F302 AromaticContact CD2-CD1 3.66Å; Y290-F302 HydrophobicContact CD2-CD1 3.66Å; Y290-F302 HydrophobicContact CD2-CD2 4.21Å; Y290-F302 AromaticContact CD2-CE1 3.45Å; Y290-F302 HydrophobicContact CD2-CE1 3.45Å; Y290-F302 VanDerWaalsContact CD2-CE1 3.45Å; Y290-F302 HydrophobicContact CD2-CE2 4.06Å; Y290-F302 HydrophobicContact CD2-CG 4.06Å; Y290-F302 AromaticContact CD2-CZ 3.69Å; Y290-F302 HydrophobicContact CD2-CZ 3.69Å; Y290-F302 HydrophobicContact CE2-CB 4.27Å; Y290-F302 AromaticContact CE2-CD1 3.62Å; Y290-F302 HydrophobicContact CE2-CD1 3.62Å; Y290-F302 AromaticContact CE2-CD2 3.81Å; Y290-F302 HydrophobicContact CE2-CD2 3.81Å; Y290-F302 AromaticContact CE2-CE1 3.9Å; Y290-F302 HydrophobicContact CE2-CE1 3.9Å; Y290-F302 HydrophobicContact CE2-CE2 4.1Å; Y290-F302 AromaticContact CE2-CG 3.59Å; Y290-F302 HydrophobicContact CE2-CG 3.59Å; Y290-F302 HydrophobicContact CE2-CZ 4.14Å; Y290-F302 WeakPolarHBondContact CE2-O 3.19Å; Y290-F302 HydrophobicContact CG-CE1 4.33Å; Y290-F302 PolarHBondContact OH-O 3.45Å; Y290-I304 HydrophobicContact CD1-CD1 4.26Å; Y290-I304 HydrophobicContact CD2-CD1 4.24Å; Y290-I304 HydrophobicContact CD2-CG1 4Å; Y290-I304 HydrophobicContact CE1-CD1 4.07Å; Y290-I304 HydrophobicContact CE1-CG1 4.47Å; Y290-I304 HydrophobicContact CE2-CD1 4.05Å; Y290-I304 HydrophobicContact CE2-CG1 3.6Å; Y290-I304 HydrophobicContact CG-CD1 4.35Å
291	K	98.6	Very high	97.9	Very high	26 Å²	26	62.9 Å²	62.9	11%	0.113	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-44.7	176.8	-69.7	172.9	-171.7	162.3	0	111.7	W173 Y176 F287 E288 Y293 R294 I295	W173-K291 HydrophobicContact CH2-CG 4.34Å; W173-K291 HydrophobicContact CZ3-CG 4.28Å; Y176-K291 HydrophobicContact CD1-CB 3.94Å; Y176-K291 HydrophobicContact CD1-CG 3.95Å; Y176-K291 HydrophobicContact CD2-CD 4.16Å; Y176-K291 HydrophobicContact CD2-CG 3.8Å; Y176-K291 HydrophobicContact CE1-CB 3.79Å; Y176-K291 HydrophobicContact CE1-CG 4.06Å; Y176-K291 HydrophobicContact CE2-CB 4.45Å; Y176-K291 HydrophobicContact CE2-CD 3.89Å; Y176-K291 HydrophobicContact CE2-CG 3.91Å; Y176-K291 HydrophobicContact CG-CB 4.34Å; Y176-K291 HydrophobicContact CG-CG 3.82Å; F287-K291 WeakPolarHBondContact O-CG 3.41Å; F287-K291 PolarHBondContact O-N 2.97Å; E288-K291 PolarHBondContact O-N 2.69Å; E288-K291 IonicContact OE1-NZ 3.39Å; E288-K291 PolarHBondContact OE1-NZ 3.11Å; K291-Y293 VanDerWaalsContact C-N 3.32Å; K291-Y293 PolarHBondContact O-N 3.13Å; K291-R294 PolarHBondContact O-N 3.35Å; K291-I295 WeakPolarHBondContact O-CG1 3.46Å; K291-I295 PolarHBondContact O-N 2.76Å
292	L	98.3	Very high	98.1	Very high	82 Å²	82	55 Å²	55	43%	0.429	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-42.6	177.1	-71.2	174.1	0	0	0	111.8	L253 E288 N289 Y290 I295 K296	L253-L292 HydrophobicContact CD1-CB 4.4Å; L253-L292 HydrophobicContact CD1-CD1 4.18Å; L253-L292 HydrophobicContact CD2-CB 4.26Å; E288-L292 WeakPolarHBondContact O-CG 3.46Å; E288-L292 PolarHBondContact O-N 3.1Å; N289-L292 PolarHBondContact O-N 3.01Å; Y290-L292 PolarHBondContact O-N 2.78Å; L292-I295 PolarHBondContact O-N 3.02Å; L292-K296 PolarHBondContact O-N 3.12Å
293	Y	98.6	Very high	98.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-47.5	174.9	-167.6	-84.7	0	0	0	111.4	F252 L253 Y258 N259 L263 N289 Y290 K291 I295 K296 H297 Q300 F302	F252-Y293 HydrophobicContact CD1-CD2 4.12Å; F252-Y293 AromaticContact CE1-CD2 3.48Å; F252-Y293 HydrophobicContact CE1-CD2 3.48Å; F252-Y293 VanDerWaalsContact CE1-CD2 3.48Å; F252-Y293 HydrophobicContact CE1-CE2 4.17Å; F252-Y293 AromaticContact CE1-CG 3.8Å; F252-Y293 HydrophobicContact CE1-CG 3.8Å; F252-Y293 AromaticContact CZ-CD2 3.79Å; F252-Y293 HydrophobicContact CZ-CD2 3.79Å; F252-Y293 HydrophobicContact CZ-CE2 4.07Å; F252-Y293 HydrophobicContact CZ-CG 4.11Å; L253-Y293 HydrophobicContact CD2-CD2 4.23Å; Y258-Y293 PolarHBondContact O-OH 2.84Å; N259-Y293 WeakPolarHBondContact CA-OH 3.36Å; N259-Y293 PolarHBondContact OD1-OH 2.02Å; L263-Y293 HydrophobicContact CD1-CD1 4.25Å; L263-Y293 HydrophobicContact CD1-CE1 3.5Å; L263-Y293 HydrophobicContact CD1-CE2 4.4Å; N289-Y293 WeakPolarHBondContact O-CB 3.46Å; N289-Y293 PolarHBondContact O-N 2.8Å; Y290-Y293 PolarHBondContact O-N 2.82Å; K291-Y293 VanDerWaalsContact C-N 3.32Å; K291-Y293 PolarHBondContact O-N 3.13Å; Y293-I295 VanDerWaalsContact C-N 3.26Å; Y293-I295 PolarHBondContact O-N 3.05Å; Y293-K296 PolarHBondContact O-N 2.91Å; Y293-K296 VanDerWaalsContact O-N 3.08Å; Y293-H297 HydrophobicContact CD1-CB 4.21Å; Y293-H297 AromaticContact CD1-CD2 3.91Å; Y293-H297 AromaticContact CD2-CD2 3.88Å; Y293-H297 HydrophobicContact CE1-CB 3.78Å; Y293-H297 AromaticContact CE1-CD2 3.61Å; Y293-H297 AromaticContact CE1-CG 3.84Å; Y293-H297 AromaticContact CE2-CD2 3.56Å; Y293-H297 AromaticContact CE2-NE2 3.92Å; Y293-H297 AromaticContact CZ-CD2 3.4Å; Y293-H297 VanDerWaalsContact CZ-CD2 3.4Å; Y293-H297 AromaticContact CZ-CG 3.85Å; Y293-H297 PolarHBondContact O-CD2 2.91Å; Y293-H297 PolarHBondContact O-N 3.44Å; Y293-Q300 PolarHBondContact OH-OE1 3.46Å; Y293-F302 AromaticContact CD1-CD1 3.61Å; Y293-F302 HydrophobicContact CD1-CD1 3.61Å; Y293-F302 AromaticContact CD1-CE1 3.97Å; Y293-F302 HydrophobicContact CD1-CE1 3.97Å; Y293-F302 HydrophobicContact CE1-CD1 4.26Å; Y293-F302 HydrophobicContact CG-CD1 4.22Å; Y293-F302 HydrophobicContact CG-CE1 4.14Å
294	R	98.3	Very high	98.2	Very high	28 Å²	28	52.4 Å²	52.4	11%	0.106	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-30.6	178.3	-71.1	-64.2	-56.4	127	3.5	113.4	Y176 Y290 K291 H297 P298 Q300 F302	Y176-R294 HydrophobicContact CD1-CB 4.01Å; Y176-R294 WeakPolarHBondContact O-CD 3.04Å; Y176-R294 PolarHBondContact O-NE 3.03Å; Y290-R294 HydrophobicContact CD1-CG 4.18Å; Y290-R294 HydrophobicContact CE1-CG 3.75Å; Y290-R294 HydrophobicContact CE2-CG 4.43Å; Y290-R294 WeakPolarHBondContact O-CG 3.17Å; Y290-R294 PolarHBondContact O-N 2.98Å; K291-R294 PolarHBondContact O-N 3.35Å; R294-H297 PolarHBondContact NH1-O 2.81Å; R294-H297 CarbonylContact O-C 3.53Å; R294-P298 PolarHBondContact NH1-O 2.84Å; R294-P298 PolarHBondContact NH2-O 3.35Å; R294-P298 WeakPolarHBondContact O-CA 3.31Å; R294-Q300 PolarHBondContact NH1-O 3.21Å; R294-F302 HydrophobicContact CG-CD1 4.48Å
295	I	98	Very high	98.2	Very high	93 Å²	93	49.5 Å²	49.5	48%	0.477	24%	0.239	S	C	.	.	H	α-helix	trans	-67.8	-43.1	173.6	-68.9	164.8	0	0	0	110.8	Y176 K291 L292 Y293	Y176-I295 HydrophobicContact CE1-CD1 4Å; Y176-I295 HydrophobicContact CE1-CG1 3.79Å; K291-I295 WeakPolarHBondContact O-CG1 3.46Å; K291-I295 PolarHBondContact O-N 2.76Å; L292-I295 PolarHBondContact O-N 3.02Å; Y293-I295 VanDerWaalsContact C-N 3.26Å; Y293-I295 PolarHBondContact O-N 3.05Å
296	K	97.9	Very high	98.2	Very high	117 Å²	117	42.2 Å²	42.2	51%	0.509	21%	0.209	S	C	.	.	H	α-helix	trans	-74	-31.8	-179.6	-68	-177.1	-176.4	-175.3	0	113.1	L253 L292 Y293 P298	L253-K296 PolarHBondContact O-NZ 2.82Å; L292-K296 PolarHBondContact O-N 3.12Å; Y293-K296 PolarHBondContact O-N 2.91Å; Y293-K296 VanDerWaalsContact O-N 3.08Å; K296-P298 VanDerWaalsContact C-CD 3.44Å; K296-P298 WeakPolarHBondContact O-CD 3.47Å
297	H	98.1	Very high	98.2	Very high	42 Å²	42	42.5 Å²	42.5	19%	0.194	21%	0.211	C	C	.	.			trans	-126.4	59.3	-173.7	-55.3	-77.8	0	0	0	111.7	N259 Y293 R294 E299 Q300	N259-H297 VanDerWaalsContact CG-CE1 3.46Å; N259-H297 PolarHBondContact ND2-CE1 3.2Å; N259-H297 PolarHBondContact OD1-CE1 2.7Å; N259-H297 VanDerWaalsContact OD1-CE1 3.27Å; N259-H297 PolarHBondContact OD1-NE2 3.11Å; Y293-H297 HydrophobicContact CD1-CB 4.21Å; Y293-H297 AromaticContact CD1-CD2 3.91Å; Y293-H297 AromaticContact CD2-CD2 3.88Å; Y293-H297 HydrophobicContact CE1-CB 3.78Å; Y293-H297 AromaticContact CE1-CD2 3.61Å; Y293-H297 AromaticContact CE1-CG 3.84Å; Y293-H297 AromaticContact CE2-CD2 3.56Å; Y293-H297 AromaticContact CE2-NE2 3.92Å; Y293-H297 AromaticContact CZ-CD2 3.4Å; Y293-H297 VanDerWaalsContact CZ-CD2 3.4Å; Y293-H297 AromaticContact CZ-CG 3.85Å; Y293-H297 PolarHBondContact O-CD2 2.91Å; Y293-H297 PolarHBondContact O-N 3.44Å; R294-H297 PolarHBondContact NH1-O 2.81Å; R294-H297 CarbonylContact O-C 3.53Å; H297-E299 VanDerWaalsContact C-N 3.27Å; H297-E299 PolarHBondContact O-N 3.04Å; H297-Q300 HydrophobicContact CB-CB 4.15Å; H297-Q300 PolarHBondContact O-N 3.32Å
298	P	97	Very high	98.1	Very high	70 Å²	70	47 Å²	47	46%	0.455	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-34	-170.2	24.2	-34.3	0	0	0	113.4	R294 K296	R294-P298 PolarHBondContact NH1-O 2.84Å; R294-P298 PolarHBondContact NH2-O 3.35Å; R294-P298 WeakPolarHBondContact O-CA 3.31Å; K296-P298 VanDerWaalsContact C-CD 3.44Å; K296-P298 WeakPolarHBondContact O-CD 3.47Å
299	E	96.7	Very high	98.1	Very high	172 Å²	172	41.6 Å²	41.6	80%	0.804	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.4	-178.1	-57.5	-50.7	128.2	0	0	114	H297 P301	H297-E299 VanDerWaalsContact C-N 3.27Å; H297-E299 PolarHBondContact O-N 3.04Å; E299-P301 WeakPolarHBondContact O-CD 3.36Å
300	Q	98.3	Very high	98	Very high	21 Å²	21	40 Å²	40	10%	0.098	20%	0.196	C	C	.	.	S	Bend	trans	-81.4	121.5	-178.2	-172.5	-178.2	3.7	0	0	110.9	Y258 G261 Y293 R294 H297 F302	Y258-Q300 PolarHBondContact O-NE2 2.88Å; G261-Q300 VanDerWaalsContact O-CG 3.27Å; G261-Q300 WeakPolarHBondContact O-CG 3.01Å; G261-Q300 PolarHBondContact O-NE2 2.89Å; Y293-Q300 PolarHBondContact OH-OE1 3.46Å; R294-Q300 PolarHBondContact NH1-O 3.21Å; H297-Q300 HydrophobicContact CB-CB 4.15Å; H297-Q300 PolarHBondContact O-N 3.32Å; Q300-F302 PolarHBondContact O-N 3.33Å
301	P	98.4	Very high	98	Very high	36 Å²	36	40.1 Å²	40.1	23%	0.234	20%	0.197	C	C	.	.			trans	-63	125.2	176.9	-21.2	33.4	0	0	0	111.2	T185 I262 L263 E299 Y303	T185-P301 HydrophobicContact CG2-CB 4.33Å; T185-P301 HydrophobicContact CG2-CG 3.95Å; I262-P301 HydrophobicContact CG1-CB 4.15Å; I262-P301 HydrophobicContact CG1-CG 4.26Å; I262-P301 HydrophobicContact CG2-CB 4.22Å; L263-P301 PolarHBondContact N-O 2.88Å; E299-P301 WeakPolarHBondContact O-CD 3.36Å; P301-Y303 HydrophobicContact CB-CE2 3.69Å
302	F	98.8	Very high	97.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	108.2	176.6	-176.1	-170.5	0	0	0	109.9	P178 V245 F252 L263 V265 Y290 Y293 R294 Q300	P178-F302 VanDerWaalsContact CD-O 3.31Å; P178-F302 WeakPolarHBondContact CD-O 3.47Å; P178-F302 VanDerWaalsContact CG-O 3.29Å; P178-F302 WeakPolarHBondContact CG-O 3.47Å; V245-F302 HydrophobicContact CG2-CZ 4.48Å; F252-F302 AromaticContact CE1-CE1 3.94Å; F252-F302 HydrophobicContact CE1-CE1 3.94Å; F252-F302 HydrophobicContact CE1-CZ 4.18Å; F252-F302 AromaticContact CZ-CE1 3.65Å; F252-F302 HydrophobicContact CZ-CE1 3.65Å; F252-F302 AromaticContact CZ-CZ 3.64Å; F252-F302 HydrophobicContact CZ-CZ 3.64Å; L263-F302 HydrophobicContact CB-CB 4.02Å; L263-F302 HydrophobicContact CB-CD1 4.47Å; L263-F302 HydrophobicContact CB-CD2 3.23Å; L263-F302 HydrophobicContact CB-CE2 3.66Å; L263-F302 HydrophobicContact CB-CG 3.68Å; L263-F302 HydrophobicContact CB-CZ 4.44Å; L263-F302 HydrophobicContact CD1-CD1 4.2Å; L263-F302 HydrophobicContact CD1-CD2 4.33Å; L263-F302 HydrophobicContact CD1-CE1 4.35Å; L263-F302 HydrophobicContact CD1-CE2 4.46Å; L263-F302 HydrophobicContact CD1-CG 4.18Å; L263-F302 HydrophobicContact CD1-CZ 4.46Å; L263-F302 HydrophobicContact CG-CD2 4.43Å; L263-F302 CarbonylContact O-C 3.54Å; L263-F302 VanDerWaalsContact O-CA 3.31Å; L263-F302 WeakPolarHBondContact O-CA 3.38Å; V265-F302 HydrophobicContact CB-CE2 3.69Å; V265-F302 HydrophobicContact CB-CZ 4.02Å; V265-F302 HydrophobicContact CG1-CE2 3.71Å; V265-F302 HydrophobicContact CG1-CZ 4.03Å; Y290-F302 AromaticContact CD2-CD1 3.66Å; Y290-F302 HydrophobicContact CD2-CD1 3.66Å; Y290-F302 HydrophobicContact CD2-CD2 4.21Å; Y290-F302 AromaticContact CD2-CE1 3.45Å; Y290-F302 HydrophobicContact CD2-CE1 3.45Å; Y290-F302 VanDerWaalsContact CD2-CE1 3.45Å; Y290-F302 HydrophobicContact CD2-CE2 4.06Å; Y290-F302 HydrophobicContact CD2-CG 4.06Å; Y290-F302 AromaticContact CD2-CZ 3.69Å; Y290-F302 HydrophobicContact CD2-CZ 3.69Å; Y290-F302 HydrophobicContact CE2-CB 4.27Å; Y290-F302 AromaticContact CE2-CD1 3.62Å; Y290-F302 HydrophobicContact CE2-CD1 3.62Å; Y290-F302 AromaticContact CE2-CD2 3.81Å; Y290-F302 HydrophobicContact CE2-CD2 3.81Å; Y290-F302 AromaticContact CE2-CE1 3.9Å; Y290-F302 HydrophobicContact CE2-CE1 3.9Å; Y290-F302 HydrophobicContact CE2-CE2 4.1Å; Y290-F302 AromaticContact CE2-CG 3.59Å; Y290-F302 HydrophobicContact CE2-CG 3.59Å; Y290-F302 HydrophobicContact CE2-CZ 4.14Å; Y290-F302 WeakPolarHBondContact CE2-O 3.19Å; Y290-F302 HydrophobicContact CG-CE1 4.33Å; Y290-F302 PolarHBondContact OH-O 3.45Å; Y293-F302 AromaticContact CD1-CD1 3.61Å; Y293-F302 HydrophobicContact CD1-CD1 3.61Å; Y293-F302 AromaticContact CD1-CE1 3.97Å; Y293-F302 HydrophobicContact CD1-CE1 3.97Å; Y293-F302 HydrophobicContact CE1-CD1 4.26Å; Y293-F302 HydrophobicContact CG-CD1 4.22Å; Y293-F302 HydrophobicContact CG-CE1 4.14Å; R294-F302 HydrophobicContact CG-CD1 4.48Å; Q300-F302 PolarHBondContact O-N 3.33Å
303	Y	98.9	Very high	98	Very high	6 Å²	6	37.6 Å²	37.6	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	158.7	-175.7	-61.7	-85.6	0	0	0	112.2	M160 P178 K180 S181 L182 T185 I262 L263 I264 V265 P301	M160-Y303 HydrophobicContact CB-CD1 3.92Å; M160-Y303 HydrophobicContact CB-CG 4.38Å; M160-Y303 HydrophobicContact CG-CD1 3.79Å; M160-Y303 HydrophobicContact CG-CG 3.92Å; P178-Y303 HydrophobicContact CB-CD1 4.16Å; P178-Y303 HydrophobicContact CB-CE1 3.54Å; P178-Y303 HydrophobicContact CG-CD1 3.81Å; P178-Y303 HydrophobicContact CG-CE1 3.68Å; P178-Y303 HydrophobicContact CG-CE2 4.45Å; P178-Y303 HydrophobicContact CG-CG 4.25Å; K180-Y303 WeakPolarHBondContact O-CE1 3.31Å; K180-Y303 PolarHBondContact O-OH 3.14Å; K180-Y303 VanDerWaalsContact O-OH 3.1Å; S181-Y303 PolarHBondContact O-OH 2.84Å; L182-Y303 HydrophobicContact CB-CE1 4.48Å; L182-Y303 HydrophobicContact CB-CE2 4.47Å; L182-Y303 HydrophobicContact CD1-CD2 4.07Å; L182-Y303 HydrophobicContact CD1-CE2 3.82Å; T185-Y303 PolarHBondContact OG1-OH 3.19Å; I262-Y303 HydrophobicContact CG2-CD2 3.62Å; I262-Y303 HydrophobicContact CG2-CE2 3.64Å; L263-Y303 PolarHBondContact O-N 3.07Å; I264-Y303 CarbonylContact C-O 3.24Å; I264-Y303 WeakPolarHBondContact CA-O 3.22Å; V265-Y303 PolarHBondContact N-O 3.04Å; P301-Y303 HydrophobicContact CB-CE2 3.69Å
304	I	98.9	Very high	97.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.7	168.6	-54.3	175.8	0	0	0	107	M160 V161 F168 W173 L177 V265 W278 F286 Y290	M160-I304 CarbonylContact C-O 3.58Å; M160-I304 VanDerWaalsContact CA-O 3.3Å; M160-I304 WeakPolarHBondContact CA-O 3.47Å; V161-I304 HydrophobicContact CB-CB 4.16Å; V161-I304 HydrophobicContact CG2-CB 4.15Å; V161-I304 HydrophobicContact CG2-CG2 3.99Å; V161-I304 PolarHBondContact N-O 2.99Å; F168-I304 HydrophobicContact CE1-CD1 4.1Å; W173-I304 HydrophobicContact CZ3-CD1 4.4Å; L177-I304 HydrophobicContact CD2-CD1 4.02Å; L177-I304 HydrophobicContact CD2-CG1 4.5Å; V265-I304 HydrophobicContact CG1-CB 4.27Å; V265-I304 HydrophobicContact CG1-CG1 3.85Å; V265-I304 HydrophobicContact CG1-CG2 4.33Å; V265-I304 CarbonylContact O-C 3.39Å; V265-I304 WeakPolarHBondContact O-CA 3.49Å; W278-I304 HydrophobicContact CH2-CG2 3.75Å; W278-I304 HydrophobicContact CZ2-CG2 4.44Å; F286-I304 HydrophobicContact CE2-CD1 4.08Å; F286-I304 HydrophobicContact CE2-CG1 4.22Å; F286-I304 HydrophobicContact CE2-CG2 4.15Å; F286-I304 HydrophobicContact CZ-CG2 3.86Å; Y290-I304 HydrophobicContact CD1-CD1 4.26Å; Y290-I304 HydrophobicContact CD2-CD1 4.24Å; Y290-I304 HydrophobicContact CD2-CG1 4Å; Y290-I304 HydrophobicContact CE1-CD1 4.07Å; Y290-I304 HydrophobicContact CE1-CG1 4.47Å; Y290-I304 HydrophobicContact CE2-CD1 4.05Å; Y290-I304 HydrophobicContact CE2-CG1 3.6Å; Y290-I304 HydrophobicContact CG-CD1 4.35Å
305	L	98.7	Very high	97.9	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-65.2	135.7	177.3	-175.8	64.7	0	0	0	109.9	M160 I264 V265 W266 M309 L335 I339	M160-L305 HydrophobicContact CE-CD1 3.81Å; M160-L305 HydrophobicContact SD-CB 4.42Å; M160-L305 HydrophobicContact SD-CD1 4Å; I264-L305 HydrophobicContact CG2-CB 4.15Å; V265-L305 PolarHBondContact O-N 3.02Å; W266-L305 HydrophobicContact CB-CB 3.78Å; W266-L305 HydrophobicContact CB-CD2 3.71Å; W266-L305 HydrophobicContact CB-CG 4.35Å; W266-L305 HydrophobicContact CG-CD2 4.49Å; L305-M309 HydrophobicContact CD1-CB 4.33Å; L305-M309 HydrophobicContact CD1-CG 4.33Å; L305-M309 HydrophobicContact CD2-SD 4.14Å; L305-M309 HydrophobicContact CG-CB 4.45Å; L305-L335 HydrophobicContact CD2-CD1 4.37Å; L305-I339 HydrophobicContact CD1-CD1 4.27Å
306	N	97.6	Very high	97.8	Very high	22 Å²	22	32.9 Å²	32.9	12%	0.118	16%	0.161	C	C	.	.			trans	-63	127.4	176.2	-170.9	-50.2	0	0	0	110.1	T159 K308 M309	T159-N306 WeakPolarHBondContact O-CB 3.33Å; T159-N306 PolarHBondContact O-N 2.73Å; N306-K308 PolarHBondContact O-N 3.29Å; N306-K308 WeakPolarHBondContact OD1-CB 3.1Å; N306-K308 PolarHBondContact OD1-N 2.95Å; N306-K308 VanDerWaalsContact OD1-N 3.11Å; N306-M309 WeakPolarHBondContact O-CB 3.37Å; N306-M309 PolarHBondContact O-N 2.82Å; N306-M309 VanDerWaalsContact O-N 3.12Å
307	P	96.8	Very high	97.7	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.039	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17	-173.6	25.5	-37.7	0	0	0	114.4	A269 W278 Q310	A269-P307 HydrophobicContact CB-CB 3.58Å; W278-P307 HydrophobicContact CB-CB 4.47Å; W278-P307 HydrophobicContact CB-CG 4.33Å; W278-P307 HydrophobicContact CD2-CB 3.91Å; W278-P307 HydrophobicContact CD2-CG 3.76Å; W278-P307 HydrophobicContact CE3-CB 4.28Å; W278-P307 HydrophobicContact CE3-CG 3.62Å; W278-P307 HydrophobicContact CG-CB 3.99Å; W278-P307 HydrophobicContact CG-CG 4.08Å; W278-P307 HydrophobicContact CZ3-CG 4.14Å; P307-Q310 WeakPolarHBondContact O-CG 3.29Å; P307-Q310 PolarHBondContact O-NE2 3.35Å
308	K	96.8	Very high	97.6	Very high	110 Å²	110	25.4 Å²	25.4	48%	0.478	13%	0.128	S	C	.	.	H	α-helix	trans	-70.7	-32.9	177.3	-65.8	-176.1	178.4	-175.7	0	113	N306 Q310 W311 Q312	N306-K308 PolarHBondContact O-N 3.29Å; N306-K308 WeakPolarHBondContact OD1-CB 3.1Å; N306-K308 PolarHBondContact OD1-N 2.95Å; N306-K308 VanDerWaalsContact OD1-N 3.11Å; K308-Q310 VanDerWaalsContact C-N 3.3Å; K308-Q310 PolarHBondContact O-N 3.2Å; K308-W311 PolarHBondContact O-N 3.07Å; K308-W311 VanDerWaalsContact O-N 3.12Å; K308-Q312 WeakPolarHBondContact O-CG 3.49Å; K308-Q312 PolarHBondContact O-N 3.06Å
309	M	97.6	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57	-43.2	-172.6	-178.2	-81.6	179.7	0	0	112	V156 N157 T158 L305 N306 W311 Q312 L313 L335 V338	V156-M309 HydrophobicContact CG1-CE 3.84Å; V156-M309 HydrophobicContact CG1-CG 3.9Å; V156-M309 HydrophobicContact CG1-SD 4.34Å; N157-M309 WeakPolarHBondContact O-CB 3.5Å; T158-M309 HydrophobicContact CG2-CE 4.01Å; T158-M309 HydrophobicContact CG2-CG 4.45Å; L305-M309 HydrophobicContact CD1-CB 4.33Å; L305-M309 HydrophobicContact CD1-CG 4.33Å; L305-M309 HydrophobicContact CD2-SD 4.14Å; L305-M309 HydrophobicContact CG-CB 4.45Å; N306-M309 WeakPolarHBondContact O-CB 3.37Å; N306-M309 PolarHBondContact O-N 2.82Å; N306-M309 VanDerWaalsContact O-N 3.12Å; M309-W311 VanDerWaalsContact C-N 3.29Å; M309-W311 PolarHBondContact O-N 3.49Å; M309-Q312 PolarHBondContact O-N 3.38Å; M309-L313 HydrophobicContact CE-CD2 4.09Å; M309-L313 WeakPolarHBondContact O-CB 3.43Å; M309-L313 PolarHBondContact O-N 2.95Å; M309-L335 HydrophobicContact CE-CD2 4.05Å; M309-L335 HydrophobicContact SD-CD2 3.43Å; M309-L335 WeakPolarHBondContact SD-CD2 3.43Å; M309-V338 HydrophobicContact CE-CB 3.8Å; M309-V338 HydrophobicContact CE-CG1 3.74Å
310	Q	97.4	Very high	97.3	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-63	-34.7	-178.4	74	-163.9	-41.8	0	0	112.9	W266 D267 P307 K308 W314 P329 P330 L335	W266-Q310 VanDerWaalsContact CZ3-OE1 3.24Å; D267-Q310 PolarHBondContact O-NE2 2.66Å; P307-Q310 WeakPolarHBondContact O-CG 3.29Å; P307-Q310 PolarHBondContact O-NE2 3.35Å; K308-Q310 VanDerWaalsContact C-N 3.3Å; K308-Q310 PolarHBondContact O-N 3.2Å; Q310-W314 WeakPolarHBondContact O-CB 3.31Å; Q310-W314 PolarHBondContact O-N 3.48Å; Q310-P329 HydrophobicContact CB-CB 4.07Å; Q310-P329 HydrophobicContact CG-CB 4.04Å; Q310-P329 VanDerWaalsContact OE1-CB 3.23Å; Q310-P330 WeakPolarHBondContact O-CD 3.32Å; Q310-P330 WeakPolarHBondContact O-CG 3.31Å; Q310-L335 HydrophobicContact CB-CD2 4Å
311	W	97.9	Very high	97	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.011	8%	0.077	C	C	.	.	H	α-helix	trans	-84.9	-34.7	-178.6	-65.9	122.7	0	0	0	112	Y130 V132 A269 P270 Y271 K308 M309 L313 W314 D315	Y130-W311 HydrophobicContact CD1-CZ2 4.21Å; Y130-W311 HydrophobicContact CD2-CH2 4.02Å; Y130-W311 HydrophobicContact CD2-CZ2 4.17Å; Y130-W311 AromaticContact CG-CH2 3.95Å; Y130-W311 HydrophobicContact CG-CH2 3.95Å; Y130-W311 AromaticContact CG-CZ2 3.71Å; Y130-W311 HydrophobicContact CG-CZ2 3.71Å; V132-W311 HydrophobicContact CG2-CE3 4.5Å; V132-W311 HydrophobicContact CG2-CH2 3.76Å; V132-W311 HydrophobicContact CG2-CZ3 3.68Å; A269-W311 VanDerWaalsContact O-CE2 3.31Å; A269-W311 VanDerWaalsContact O-CZ2 3.23Å; A269-W311 WeakPolarHBondContact O-CZ2 3.4Å; A269-W311 PolarHBondContact O-NE1 3.49Å; P270-W311 PolarHBondContact O-NE1 3.41Å; Y271-W311 HydrophobicContact CD2-CB 4.24Å; Y271-W311 AromaticContact CD2-CD2 3.69Å; Y271-W311 HydrophobicContact CD2-CD2 3.69Å; Y271-W311 AromaticContact CD2-CE3 3.56Å; Y271-W311 HydrophobicContact CD2-CE3 3.56Å; Y271-W311 AromaticContact CD2-CG 3.99Å; Y271-W311 HydrophobicContact CD2-CG 3.99Å; Y271-W311 HydrophobicContact CD2-CZ3 4.15Å; Y271-W311 HydrophobicContact CE2-CB 4.39Å; Y271-W311 HydrophobicContact CE2-CD2 4.45Å; Y271-W311 HydrophobicContact CE2-CE3 4.1Å; K308-W311 PolarHBondContact O-N 3.07Å; K308-W311 VanDerWaalsContact O-N 3.12Å; M309-W311 VanDerWaalsContact C-N 3.29Å; M309-W311 PolarHBondContact O-N 3.49Å; W311-L313 PolarHBondContact O-N 3.49Å; W311-W314 HydrophobicContact CE3-CB 3.75Å; W311-W314 HydrophobicContact CE3-CD2 4.21Å; W311-W314 AromaticContact CE3-CG 3.8Å; W311-W314 HydrophobicContact CE3-CG 3.8Å; W311-W314 HydrophobicContact CZ3-CB 4.29Å; W311-W314 AromaticContact CZ3-CD1 3.94Å; W311-W314 HydrophobicContact CZ3-CD2 4.2Å; W311-W314 AromaticContact CZ3-CG 3.88Å; W311-W314 HydrophobicContact CZ3-CG 3.88Å; W311-W314 WeakPolarHBondContact O-CB 3.49Å; W311-W314 PolarHBondContact O-N 3.27Å; W311-W314 VanDerWaalsContact O-N 3.14Å; W311-D315 PolarHBondContact O-N 3.2Å
312	Q	98	Very high	96.6	Very high	55 Å²	55	19.4 Å²	19.4	26%	0.257	10%	0.095	S	C	.	.	H	α-helix	trans	-57.1	-42	168	-69.9	172.2	-28.3	0	0	111.5	V156 K308 M309 I316	V156-Q312 HydrophobicContact CG2-CB 4.46Å; K308-Q312 WeakPolarHBondContact O-CG 3.49Å; K308-Q312 PolarHBondContact O-N 3.06Å; M309-Q312 PolarHBondContact O-N 3.38Å; Q312-I316 PolarHBondContact O-N 3.3Å
313	L	98.4	Very high	96.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71	-37.2	175.5	-176.9	55.9	0	0	0	112.4	L152 V156 M309 W311 D315 I316 L317 P330 M334 L335 V338	L152-L313 HydrophobicContact CD2-CD1 3.56Å; V156-L313 HydrophobicContact CG1-CB 4.25Å; V156-L313 HydrophobicContact CG2-CB 4.36Å; V156-L313 HydrophobicContact CG2-CD1 4.31Å; M309-L313 HydrophobicContact CE-CD2 4.09Å; M309-L313 WeakPolarHBondContact O-CB 3.43Å; M309-L313 PolarHBondContact O-N 2.95Å; W311-L313 PolarHBondContact O-N 3.49Å; L313-D315 VanDerWaalsContact C-N 3.34Å; L313-I316 PolarHBondContact O-N 3.44Å; L313-L317 HydrophobicContact CG-CD1 4.42Å; L313-L317 WeakPolarHBondContact O-CG 3.06Å; L313-L317 PolarHBondContact O-N 2.81Å; L313-P330 HydrophobicContact CB-CG 4.2Å; L313-P330 HydrophobicContact CD2-CB 4.19Å; L313-P330 HydrophobicContact CD2-CG 4.11Å; L313-P330 HydrophobicContact CG-CG 3.98Å; L313-M334 HydrophobicContact CD1-CE 4.16Å; L313-M334 HydrophobicContact CD2-CG 3.89Å; L313-L335 HydrophobicContact CD2-CD2 4Å; L313-V338 HydrophobicContact CD1-CG2 3.98Å; L313-V338 HydrophobicContact CD2-CB 4.49Å; L313-V338 HydrophobicContact CD2-CG2 3.88Å
314	W	98.4	Very high	96	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-61.8	-41.1	174.6	-171.8	94	0	0	0	112	V132 Y134 Y271 Q310 W311 I316 L317 Q318 I325 Q326 N328 P330	V132-W314 HydrophobicContact CG1-CE3 4.26Å; V132-W314 HydrophobicContact CG1-CH2 3.41Å; V132-W314 VanDerWaalsContact CG1-CH2 3.41Å; V132-W314 HydrophobicContact CG1-CZ2 3.86Å; V132-W314 HydrophobicContact CG1-CZ3 3.62Å; Y134-W314 AromaticContact CD2-CZ3 3.91Å; Y134-W314 HydrophobicContact CD2-CZ3 3.91Å; Y134-W314 HydrophobicContact CG-CH2 4.47Å; Y134-W314 HydrophobicContact CG-CZ3 4.2Å; Y271-W314 HydrophobicContact CE2-CE3 4.09Å; Y271-W314 HydrophobicContact CE2-CZ3 4.35Å; Q310-W314 WeakPolarHBondContact O-CB 3.31Å; Q310-W314 PolarHBondContact O-N 3.48Å; W311-W314 HydrophobicContact CE3-CB 3.75Å; W311-W314 HydrophobicContact CE3-CD2 4.21Å; W311-W314 AromaticContact CE3-CG 3.8Å; W311-W314 HydrophobicContact CE3-CG 3.8Å; W311-W314 HydrophobicContact CZ3-CB 4.29Å; W311-W314 AromaticContact CZ3-CD1 3.94Å; W311-W314 HydrophobicContact CZ3-CD2 4.2Å; W311-W314 AromaticContact CZ3-CG 3.88Å; W311-W314 HydrophobicContact CZ3-CG 3.88Å; W311-W314 WeakPolarHBondContact O-CB 3.49Å; W311-W314 PolarHBondContact O-N 3.27Å; W311-W314 VanDerWaalsContact O-N 3.14Å; W314-I316 VanDerWaalsContact C-N 3.34Å; W314-I316 PolarHBondContact O-N 3.33Å; W314-L317 WeakPolarHBondContact O-CB 3.48Å; W314-L317 PolarHBondContact O-N 3.17Å; W314-L317 VanDerWaalsContact O-N 3.12Å; W314-Q318 HydrophobicContact CE3-CB 4.11Å; W314-Q318 HydrophobicContact CH2-CB 3.8Å; W314-Q318 HydrophobicContact CH2-CG 3.72Å; W314-Q318 HydrophobicContact CZ2-CB 4.28Å; W314-Q318 HydrophobicContact CZ2-CG 4.45Å; W314-Q318 HydrophobicContact CZ3-CB 3.72Å; W314-Q318 HydrophobicContact CZ3-CG 3.94Å; W314-Q318 PolarHBondContact O-N 2.96Å; W314-I325 HydrophobicContact CD2-CD1 4.28Å; W314-I325 HydrophobicContact CG-CD1 4.4Å; W314-I325 HydrophobicContact CH2-CG1 4.49Å; W314-I325 HydrophobicContact CZ2-CD1 4.13Å; W314-I325 HydrophobicContact CZ2-CG1 3.59Å; W314-Q326 PolarHBondContact NE1-O 3.43Å; W314-N328 PolarHBondContact NE1-O 3.05Å; W314-P330 HydrophobicContact CB-CG 4.31Å
315	D	96.9	Very high	95.9	Very high	18 Å²	18	25.1 Å²	25.1	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-58.4	-47.5	178.2	-67.2	-20.4	0	0	0	110.3	Y271 H272 W311 L313 L317 Q318 E319	Y271-D315 WeakPolarHBondContact CE2-OD1 3.2Å; Y271-D315 PolarHBondContact OH-OD1 3.29Å; H272-D315 IonicContact CE1-OD2 3.49Å; H272-D315 IonicContact NE2-OD1 2.7Å; H272-D315 IonicContact NE2-OD2 2.86Å; H272-D315 PolarHBondContact NE2-OD2 2.94Å; W311-D315 PolarHBondContact O-N 3.2Å; L313-D315 VanDerWaalsContact C-N 3.34Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 PolarHBondContact O-N 2.82Å; D315-Q318 PolarHBondContact O-N 2.87Å; D315-E319 WeakPolarHBondContact O-CB 3.18Å; D315-E319 VanDerWaalsContact O-CG 3.28Å; D315-E319 WeakPolarHBondContact O-CG 3.37Å; D315-E319 PolarHBondContact O-N 3.08Å
316	I	96.4	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-41.7	175.2	-67.2	175.8	0	0	0	111.9	L148 Q151 L152 R155 V156 Q312 L313 W314 E319 N320 L387	L148-I316 HydrophobicContact CD1-CG2 3.72Å; Q151-I316 HydrophobicContact CG-CD1 4.04Å; Q151-I316 HydrophobicContact CG-CG1 4.08Å; Q151-I316 WeakPolarHBondContact O-CD1 3.06Å; L152-I316 HydrophobicContact CD2-CD1 3.92Å; L152-I316 HydrophobicContact CD2-CG2 3.9Å; L152-I316 HydrophobicContact CG-CD1 4.38Å; L152-I316 HydrophobicContact CG-CG2 4.31Å; R155-I316 HydrophobicContact CB-CD1 4.24Å; V156-I316 HydrophobicContact CG2-CD1 3.44Å; V156-I316 VanDerWaalsContact CG2-CD1 3.44Å; Q312-I316 PolarHBondContact O-N 3.3Å; L313-I316 PolarHBondContact O-N 3.44Å; W314-I316 VanDerWaalsContact C-N 3.34Å; W314-I316 PolarHBondContact O-N 3.33Å; I316-E319 PolarHBondContact O-N 2.88Å; I316-N320 WeakPolarHBondContact O-CB 3.29Å; I316-N320 PolarHBondContact O-N 3.43Å; I316-N320 PolarHBondContact O-ND2 3.22Å; I316-L387 HydrophobicContact CG2-CD1 4.32Å
317	L	96.8	Very high	95.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-42.4	176.5	-74.4	165	0	0	0	111.5	L313 W314 D315 S321 I325 P330 P380 E384 L387	L313-L317 HydrophobicContact CG-CD1 4.42Å; L313-L317 WeakPolarHBondContact O-CG 3.06Å; L313-L317 PolarHBondContact O-N 2.81Å; W314-L317 WeakPolarHBondContact O-CB 3.48Å; W314-L317 PolarHBondContact O-N 3.17Å; W314-L317 VanDerWaalsContact O-N 3.12Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 PolarHBondContact O-N 2.82Å; L317-S321 VanDerWaalsContact O-CB 3.27Å; L317-S321 WeakPolarHBondContact O-CB 3.43Å; L317-S321 PolarHBondContact O-N 3.47Å; L317-S321 PolarHBondContact O-OG 3.28Å; L317-I325 HydrophobicContact CB-CD1 3.68Å; L317-P330 HydrophobicContact CD1-CB 4.08Å; L317-P330 HydrophobicContact CD1-CG 3.74Å; L317-P380 HydrophobicContact CD1-CG 4.48Å; L317-E384 HydrophobicContact CD1-CG 3.87Å; L317-E384 HydrophobicContact CD2-CG 4.18Å; L317-L387 HydrophobicContact CD2-CB 4.1Å; L317-L387 HydrophobicContact CD2-CD1 3.71Å; L317-L387 HydrophobicContact CD2-CG 4.5Å; L317-L387 HydrophobicContact CG-CD1 4.46Å
318	Q	95.6	Very high	96	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-68.9	-42	178.7	179.1	57.3	92	0	0	111.3	Y134 W314 D315 N320 S321 E323 I325	Y134-Q318 HydrophobicContact CD1-CG 3.73Å; Y134-Q318 HydrophobicContact CD2-CB 4.39Å; Y134-Q318 HydrophobicContact CD2-CG 3.88Å; Y134-Q318 HydrophobicContact CE1-CG 3.79Å; Y134-Q318 HydrophobicContact CE2-CB 4.27Å; Y134-Q318 HydrophobicContact CE2-CG 3.91Å; Y134-Q318 HydrophobicContact CG-CG 3.77Å; W314-Q318 HydrophobicContact CE3-CB 4.11Å; W314-Q318 HydrophobicContact CH2-CB 3.8Å; W314-Q318 HydrophobicContact CH2-CG 3.72Å; W314-Q318 HydrophobicContact CZ2-CB 4.28Å; W314-Q318 HydrophobicContact CZ2-CG 4.45Å; W314-Q318 HydrophobicContact CZ3-CB 3.72Å; W314-Q318 HydrophobicContact CZ3-CG 3.94Å; W314-Q318 PolarHBondContact O-N 2.96Å; D315-Q318 PolarHBondContact O-N 2.87Å; Q318-N320 VanDerWaalsContact C-N 3.28Å; Q318-N320 PolarHBondContact O-N 2.93Å; Q318-S321 PolarHBondContact O-N 3.37Å; Q318-E323 PolarHBondContact NE2-O 3.21Å; Q318-E323 VanDerWaalsContact NE2-O 3.09Å; Q318-I325 HydrophobicContact CB-CD1 4.02Å; Q318-I325 HydrophobicContact CB-CG1 4.22Å
319	E	93.9	Very high	96.1	Very high	28 Å²	28	19 Å²	19	13%	0.131	9%	0.094	C	C	.	.	H	α-helix	trans	-60.1	-36.9	176.3	-77.2	170.9	-143.1	0	0	112.7	Y134 Q151 R155 D315 I316	Y134-E319 HydrophobicContact CE2-CG 4.18Å; Y134-E319 WeakPolarHBondContact OH-CG 3.45Å; Q151-E319 PolarHBondContact NE2-OE2 3.13Å; R155-E319 IonicContact CZ-OE1 3.38Å; R155-E319 VanDerWaalsContact CZ-OE1 3.25Å; R155-E319 IonicContact CZ-OE2 2.6Å; R155-E319 IonicContact NH1-OE1 2.75Å; R155-E319 PolarHBondContact NH1-OE1 3.12Å; R155-E319 IonicContact NH1-OE2 3.06Å; R155-E319 PolarHBondContact NH1-OE2 2.91Å; R155-E319 IonicContact NH2-OE1 3.83Å; R155-E319 PolarHBondContact NH2-OE1 3.28Å; R155-E319 IonicContact NH2-OE2 3.67Å; D315-E319 WeakPolarHBondContact O-CB 3.18Å; D315-E319 VanDerWaalsContact O-CG 3.28Å; D315-E319 WeakPolarHBondContact O-CG 3.37Å; D315-E319 PolarHBondContact O-N 3.08Å; I316-E319 PolarHBondContact O-N 2.88Å
320	N	92.7	Very high	96.1	Very high	18 Å²	18	19 Å²	19	10%	0.096	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	13.8	-178.6	-69.5	-86.7	0	0	0	113.3	L143 L148 Q151 I316 Q318	L143-N320 WeakPolarHBondContact CG-OD1 3.41Å; L143-N320 PolarHBondContact N-OD1 3.02Å; L148-N320 WeakPolarHBondContact CD1-ND2 3.28Å; Q151-N320 PolarHBondContact OE1-ND2 2.98Å; I316-N320 WeakPolarHBondContact O-CB 3.29Å; I316-N320 PolarHBondContact O-N 3.43Å; I316-N320 PolarHBondContact O-ND2 3.22Å; Q318-N320 VanDerWaalsContact C-N 3.28Å; Q318-N320 PolarHBondContact O-N 2.93Å
321	S	92.3	Very high	96.2	Very high	10 Å²	10	19.3 Å²	19.3	7%	0.07	10%	0.097	C	C	.	.			trans	-113.9	134.7	175.3	-66.7	0	0	0	0	111.4	L317 Q318 E323 I325 F383	L317-S321 VanDerWaalsContact O-CB 3.27Å; L317-S321 WeakPolarHBondContact O-CB 3.43Å; L317-S321 PolarHBondContact O-N 3.47Å; L317-S321 PolarHBondContact O-OG 3.28Å; Q318-S321 PolarHBondContact O-N 3.37Å; S321-E323 PolarHBondContact O-N 2.83Å; S321-I325 WeakPolarHBondContact OG-CG2 2.99Å; S321-F383 WeakPolarHBondContact OG-CD1 3.14Å
322	L	90.1	Very high	96.3	Very high	116 Å²	116	19.6 Å²	19.6	61%	0.607	10%	0.1	S	C	*	.	S	Bend	trans	-74.3	-10	-178.5	-60.8	178.7	0	0	0	113.6	R138	R138-L322 PolarHBondContact NH1-O 3.32Å
323	E	92.1	Very high	96.3	Very high	38 Å²	38	17.6 Å²	17.6	18%	0.178	9%	0.094	C	C	.	.	S	Bend	trans	-135.9	164.5	-179.9	53.4	172.1	-141.3	0	0	111.1	S110 R121 Q318 S321 I325 F383	S110-E323 WeakPolarHBondContact CA-OE1 3.39Å; S110-E323 WeakPolarHBondContact CB-OE1 3.23Å; S110-E323 PolarHBondContact N-OE1 2.68Å; S110-E323 VanDerWaalsContact OG-CD 3.32Å; S110-E323 PolarHBondContact OG-OE1 2.83Å; S110-E323 VanDerWaalsContact OG-OE1 3.13Å; S110-E323 PolarHBondContact OG-OE2 3.33Å; R121-E323 IonicContact CZ-OE1 3.69Å; R121-E323 IonicContact NE-OE1 3.82Å; R121-E323 IonicContact NH2-OE1 3.82Å; R121-E323 PolarHBondContact NH2-OE1 2.52Å; R121-E323 IonicContact NH2-OE2 2.68Å; R121-E323 PolarHBondContact NH2-OE2 3.24Å; Q318-E323 PolarHBondContact NE2-O 3.21Å; Q318-E323 VanDerWaalsContact NE2-O 3.09Å; S321-E323 PolarHBondContact O-N 2.83Å; E323-I325 PolarHBondContact O-N 2.79Å; E323-F383 HydrophobicContact CG-CE1 3.84Å; E323-F383 HydrophobicContact CG-CZ 4.08Å; E323-F383 WeakPolarHBondContact OE1-CZ 3.33Å
324	H	93.8	Very high	96.3	Very high	88 Å²	88	17.7 Å²	17.7	41%	0.407	9%	0.094	S	C	.	.	P	Polyproline II helix	trans	-64.2	124.7	176.7	-77.5	-56.4	0	0	0	110.8	R121 L125 R138	R121-H324 VanDerWaalsContact CZ-O 3.3Å; R121-H324 PolarHBondContact NH2-O 3.4Å; L125-H324 HydrophobicContact CD2-CB 3.89Å; R138-H324 PolarHBondContact NH2-CD2 3.11Å; R138-H324 PolarHBondContact NH2-CE1 3.42Å; R138-H324 VanDerWaalsContact NH2-CE1 3.28Å; R138-H324 PolarHBondContact NH2-NE2 2.75Å
325	I	96.5	Very high	96.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-87.2	166.6	176.9	69.8	176.9	0	0	0	110	L125 W314 L317 Q318 S321 E323 P380 F383	L125-I325 VanDerWaalsContact CD2-O 3.3Å; L125-I325 WeakPolarHBondContact CD2-O 3.11Å; W314-I325 HydrophobicContact CD2-CD1 4.28Å; W314-I325 HydrophobicContact CG-CD1 4.4Å; W314-I325 HydrophobicContact CH2-CG1 4.49Å; W314-I325 HydrophobicContact CZ2-CD1 4.13Å; W314-I325 HydrophobicContact CZ2-CG1 3.59Å; L317-I325 HydrophobicContact CB-CD1 3.68Å; Q318-I325 HydrophobicContact CB-CD1 4.02Å; Q318-I325 HydrophobicContact CB-CG1 4.22Å; S321-I325 WeakPolarHBondContact OG-CG2 2.99Å; E323-I325 PolarHBondContact O-N 2.79Å; I325-P380 HydrophobicContact CB-CB 3.95Å; I325-P380 HydrophobicContact CD1-CB 3.97Å; I325-P380 HydrophobicContact CD1-CG 4.23Å; I325-P380 HydrophobicContact CG1-CB 4.24Å; I325-F383 HydrophobicContact CB-CD2 3.8Å; I325-F383 HydrophobicContact CB-CE2 3.98Å; I325-F383 HydrophobicContact CB-CG 4.32Å; I325-F383 HydrophobicContact CG2-CB 4.09Å; I325-F383 HydrophobicContact CG2-CD1 3.77Å; I325-F383 HydrophobicContact CG2-CD2 3.41Å; I325-F383 VanDerWaalsContact CG2-CD2 3.41Å; I325-F383 HydrophobicContact CG2-CE1 4.02Å; I325-F383 HydrophobicContact CG2-CE2 3.68Å; I325-F383 HydrophobicContact CG2-CG 3.46Å; I325-F383 VanDerWaalsContact CG2-CG 3.46Å; I325-F383 HydrophobicContact CG2-CZ 3.98Å
326	Q	98.1	Very high	96.4	Very high	3 Å²	3	16.6 Å²	16.6	1%	0.014	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-54.2	130.6	176	-71.1	87.9	-34.3	0	0	110.1	R121 W314 N328 A377	R121-Q326 HydrophobicContact CG-CG 4.2Å; W314-Q326 PolarHBondContact NE1-O 3.43Å; Q326-N328 HydrophobicContact CB-CB 4.34Å; Q326-N328 PolarHBondContact O-N 2.91Å; Q326-A377 PolarHBondContact NE2-O 3.48Å
327	P	98	Very high	96.6	Very high	9 Å²	9	16.6 Å²	16.6	6%	0.058	9%	0.089	C	C	.	.	S	Bend	trans	-79.5	51.9	179.8	35.3	-36.3	0	0	0	110.7	Y124 N128 Y130 V132	Y124-P327 WeakPolarHBondContact O-CG 3.42Å; N128-P327 HydrophobicContact CB-CG 4.3Å; N128-P327 WeakPolarHBondContact OD1-CB 3.33Å; Y130-P327 WeakPolarHBondContact CD2-O 3.37Å; V132-P327 HydrophobicContact CB-CB 3.76Å; V132-P327 HydrophobicContact CG1-CB 4.44Å; V132-P327 HydrophobicContact CG2-CB 3.69Å
328	N	98.6	Very high	96.7	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.089	C	C	.	.	S	Bend	trans	-134.4	147.9	-175.1	-66.3	75.4	0	0	0	106.8	W314 Q326 Y378	W314-N328 PolarHBondContact NE1-O 3.05Å; Q326-N328 HydrophobicContact CB-CB 4.34Å; Q326-N328 PolarHBondContact O-N 2.91Å; N328-Y378 HydrophobicContact CB-CD1 4.18Å; N328-Y378 HydrophobicContact CB-CE1 3.92Å; N328-Y378 WeakPolarHBondContact CB-O 3.37Å; N328-Y378 WeakPolarHBondContact ND2-CD2 3.41Å; N328-Y378 WeakPolarHBondContact ND2-CE2 3.47Å; N328-Y378 VanDerWaalsContact ND2-CZ 3.3Å
329	P	98.4	Very high	96.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-62.8	157.7	-176	27	-35.9	0	0	0	111.9	W266 P268 Q310 Y378 H379	W266-P329 HydrophobicContact CH2-CB 4.41Å; W266-P329 HydrophobicContact CH2-CG 4.11Å; W266-P329 HydrophobicContact CZ3-CB 3.95Å; W266-P329 HydrophobicContact CZ3-CG 3.83Å; P268-P329 HydrophobicContact CB-CG 3.94Å; P268-P329 HydrophobicContact CG-CG 3.95Å; Q310-P329 HydrophobicContact CB-CB 4.07Å; Q310-P329 HydrophobicContact CG-CB 4.04Å; Q310-P329 VanDerWaalsContact OE1-CB 3.23Å; P329-Y378 HydrophobicContact CG-CE1 4.34Å; P329-H379 PolarHBondContact O-ND1 3.3Å
330	P	98.8	Very high	97	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-54.6	154.6	173.4	-23.8	35.1	0	0	0	112.1	Q310 L313 W314 L317 M334 L335 H379 E384	Q310-P330 WeakPolarHBondContact O-CD 3.32Å; Q310-P330 WeakPolarHBondContact O-CG 3.31Å; L313-P330 HydrophobicContact CB-CG 4.2Å; L313-P330 HydrophobicContact CD2-CB 4.19Å; L313-P330 HydrophobicContact CD2-CG 4.11Å; L313-P330 HydrophobicContact CG-CG 3.98Å; W314-P330 HydrophobicContact CB-CG 4.31Å; L317-P330 HydrophobicContact CD1-CB 4.08Å; L317-P330 HydrophobicContact CD1-CG 3.74Å; P330-M334 HydrophobicContact CB-CB 4.15Å; P330-M334 HydrophobicContact CB-CG 4.34Å; P330-L335 HydrophobicContact CB-CD2 4.28Å; P330-H379 PolarHBondContact O-ND1 3.43Å; P330-E384 VanDerWaalsContact CA-OE1 3.28Å; P330-E384 WeakPolarHBondContact CA-OE1 3.43Å
331	S	98.9	Very high	97.3	Very high	11 Å²	11	14.5 Å²	14.5	8%	0.077	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-62.6	156.1	176.9	77	0	0	0	0	111.7	G333 M334 L335 E384	S331-G333 PolarHBondContact O-N 2.78Å; S331-G333 VanDerWaalsContact O-N 3.12Å; S331-G333 PolarHBondContact OG-N 3.31Å; S331-M334 PolarHBondContact O-N 3.02Å; S331-M334 PolarHBondContact OG-N 3.28Å; S331-L335 WeakPolarHBondContact O-CG 3.45Å; S331-L335 PolarHBondContact O-N 2.62Å; S331-E384 WeakPolarHBondContact CB-OE2 3.28Å; S331-E384 PolarHBondContact N-OE1 3.48Å; S331-E384 PolarHBondContact N-OE2 3.38Å; S331-E384 PolarHBondContact OG-OE2 3.35Å
332	S	98.9	Very high	97.6	Very high	9 Å²	9	15.3 Å²	15.3	6%	0.063	8%	0.083	C	C	.	.	H	α-helix	trans	-53.4	-34.1	171.2	-53.4	0	0	0	0	111.7	F219 L239 W266 L335 G336	F219-S332 VanDerWaalsContact CE1-C 3.47Å; F219-S332 WeakPolarHBondContact CE1-O 3.23Å; L239-S332 WeakPolarHBondContact CD2-O 3.4Å; W266-S332 VanDerWaalsContact CZ2-OG 3.28Å; W266-S332 WeakPolarHBondContact CZ2-OG 3.3Å; W266-S332 PolarHBondContact NE1-OG 3Å; S332-L335 PolarHBondContact O-N 3.24Å; S332-G336 PolarHBondContact O-N 2.92Å
333	G	98.9	Very high	97.9	Very high	13 Å²	13	10 Å²	10	13%	0.134	6%	0.055	C	C	.	.	H	α-helix	trans	-54.6	-54.2	173.9	0	0	0	0	0	112.3	S331 G336 I337	S331-G333 PolarHBondContact O-N 2.78Å; S331-G333 VanDerWaalsContact O-N 3.12Å; S331-G333 PolarHBondContact OG-N 3.31Å; G333-G336 PolarHBondContact O-N 2.93Å; G333-I337 VanDerWaalsContact O-CG1 3.28Å; G333-I337 WeakPolarHBondContact O-CG1 3.46Å; G333-I337 PolarHBondContact O-N 3.4Å
334	M	98.9	Very high	98.2	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-67.6	-39	-179.3	-170.2	66.6	-154.5	0	0	112.7	L313 P330 S331 G336 I337 V338 E384 L387 V388	L313-M334 HydrophobicContact CD1-CE 4.16Å; L313-M334 HydrophobicContact CD2-CG 3.89Å; P330-M334 HydrophobicContact CB-CB 4.15Å; P330-M334 HydrophobicContact CB-CG 4.34Å; S331-M334 PolarHBondContact O-N 3.02Å; S331-M334 PolarHBondContact OG-N 3.28Å; M334-G336 VanDerWaalsContact C-N 3.34Å; M334-G336 PolarHBondContact O-N 2.96Å; M334-I337 PolarHBondContact O-N 2.99Å; M334-I337 HydrophobicContact SD-CD1 4.46Å; M334-V338 HydrophobicContact CE-CG2 3.83Å; M334-V338 PolarHBondContact O-N 3.32Å; M334-E384 HydrophobicContact CB-CB 4.17Å; M334-E384 HydrophobicContact CB-CG 3.89Å; M334-E384 VanDerWaalsContact CB-OE2 3.24Å; M334-E384 WeakPolarHBondContact CB-OE2 3.4Å; M334-E384 HydrophobicContact CG-CB 4.12Å; M334-E384 HydrophobicContact CG-CG 3.9Å; M334-E384 HydrophobicContact SD-CB 4.08Å; M334-E384 HydrophobicContact SD-CG 4.49Å; M334-L387 HydrophobicContact CE-CD2 3.58Å; M334-V388 HydrophobicContact CE-CG2 4.48Å; M334-V388 HydrophobicContact SD-CG2 3.83Å
335	L	98.9	Very high	98.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.8	-45.9	173.4	-59.9	174	0	0	0	111	L239 W266 L305 M309 Q310 L313 P330 S331 S332 I337 V338 I339	L239-L335 HydrophobicContact CD2-CB 3.99Å; W266-L335 HydrophobicContact CD2-CD1 3.42Å; W266-L335 VanDerWaalsContact CD2-CD1 3.42Å; W266-L335 HydrophobicContact CE3-CD1 3.54Å; W266-L335 HydrophobicContact CG-CD1 3.94Å; W266-L335 HydrophobicContact CH2-CD1 4Å; W266-L335 HydrophobicContact CZ2-CD1 3.94Å; W266-L335 HydrophobicContact CZ3-CD1 3.82Å; L305-L335 HydrophobicContact CD2-CD1 4.37Å; M309-L335 HydrophobicContact CE-CD2 4.05Å; M309-L335 HydrophobicContact SD-CD2 3.43Å; M309-L335 WeakPolarHBondContact SD-CD2 3.43Å; Q310-L335 HydrophobicContact CB-CD2 4Å; L313-L335 HydrophobicContact CD2-CD2 4Å; P330-L335 HydrophobicContact CB-CD2 4.28Å; S331-L335 WeakPolarHBondContact O-CG 3.45Å; S331-L335 PolarHBondContact O-N 2.62Å; S332-L335 PolarHBondContact O-N 3.24Å; L335-I337 PolarHBondContact O-N 3.33Å; L335-V338 PolarHBondContact O-N 3.01Å; L335-I339 VanDerWaalsContact O-CG1 3.27Å; L335-I339 WeakPolarHBondContact O-CG1 3.35Å; L335-I339 PolarHBondContact O-N 3.44Å
336	G	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.7	-39.8	178.1	0	0	0	0	0	113	S332 G333 M334 I339 M340	S332-G336 PolarHBondContact O-N 2.92Å; G333-G336 PolarHBondContact O-N 2.93Å; M334-G336 VanDerWaalsContact C-N 3.34Å; M334-G336 PolarHBondContact O-N 2.96Å; G336-I339 PolarHBondContact O-N 3.14Å; G336-M340 VanDerWaalsContact O-CG 3.31Å; G336-M340 WeakPolarHBondContact O-CG 3.31Å; G336-M340 PolarHBondContact O-N 3.04Å
337	I	98.9	Very high	98.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57.4	-51.5	174.6	-70.3	167.3	0	0	0	110.5	V194 G333 M334 L335 I339 M340 M341 V349 F352 V388 L407	V194-I337 HydrophobicContact CG1-CG1 4.13Å; G333-I337 VanDerWaalsContact O-CG1 3.28Å; G333-I337 WeakPolarHBondContact O-CG1 3.46Å; G333-I337 PolarHBondContact O-N 3.4Å; M334-I337 PolarHBondContact O-N 2.99Å; M334-I337 HydrophobicContact SD-CD1 4.46Å; L335-I337 PolarHBondContact O-N 3.33Å; I337-I339 PolarHBondContact O-N 3.07Å; I337-M340 PolarHBondContact O-N 3.49Å; I337-M341 HydrophobicContact CG2-CG 4.4Å; I337-M341 HydrophobicContact CG2-SD 3.86Å; I337-M341 WeakPolarHBondContact O-CG 3.45Å; I337-M341 PolarHBondContact O-N 2.87Å; I337-V349 HydrophobicContact CD1-CG1 3.82Å; I337-V349 HydrophobicContact CD1-CG2 4.15Å; I337-V349 HydrophobicContact CG1-CG1 3.97Å; I337-V349 HydrophobicContact CG1-CG2 3.86Å; I337-V349 HydrophobicContact CG2-CG2 4.49Å; I337-F352 HydrophobicContact CD1-CD1 4.05Å; I337-F352 HydrophobicContact CD1-CD2 4.21Å; I337-F352 HydrophobicContact CD1-CE1 4.15Å; I337-F352 HydrophobicContact CD1-CE2 4.31Å; I337-F352 HydrophobicContact CD1-CG 4.08Å; I337-F352 HydrophobicContact CD1-CZ 4.28Å; I337-V388 HydrophobicContact CD1-CG2 3.93Å; I337-L407 HydrophobicContact CG2-CD1 3.47Å; I337-L407 VanDerWaalsContact CG2-CD1 3.47Å
338	V	98.8	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.5	-36.2	-177.5	177.8	0	0	0	0	112	V156 T158 M309 L313 M334 L335 M341 T342 F410	V156-V338 HydrophobicContact CB-CG1 4.43Å; V156-V338 HydrophobicContact CG1-CG1 3.95Å; T158-V338 HydrophobicContact CG2-CG1 3.8Å; M309-V338 HydrophobicContact CE-CB 3.8Å; M309-V338 HydrophobicContact CE-CG1 3.74Å; L313-V338 HydrophobicContact CD1-CG2 3.98Å; L313-V338 HydrophobicContact CD2-CB 4.49Å; L313-V338 HydrophobicContact CD2-CG2 3.88Å; M334-V338 HydrophobicContact CE-CG2 3.83Å; M334-V338 PolarHBondContact O-N 3.32Å; L335-V338 PolarHBondContact O-N 3.01Å; V338-M341 PolarHBondContact O-N 3.21Å; V338-T342 PolarHBondContact O-N 3.19Å; V338-T342 VanDerWaalsContact O-N 3.15Å; V338-T342 PolarHBondContact O-OG1 2.99Å; V338-F410 HydrophobicContact CG1-CE2 3.92Å; V338-F410 HydrophobicContact CG1-CZ 4.04Å
339	I	98.7	Very high	98.7	Very high	2 Å²	2	8 Å²	8	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-59.3	-49.5	171.5	-70.4	164.8	0	0	0	110.1	L182 L239 I264 L305 L335 G336 I337 M341 T342 L343	L182-I339 HydrophobicContact CD2-CG2 4.3Å; L239-I339 HydrophobicContact CD1-CD1 4.5Å; L239-I339 HydrophobicContact CD2-CD1 4.45Å; I264-I339 HydrophobicContact CD1-CG2 4.41Å; L305-I339 HydrophobicContact CD1-CD1 4.27Å; L335-I339 VanDerWaalsContact O-CG1 3.27Å; L335-I339 WeakPolarHBondContact O-CG1 3.35Å; L335-I339 PolarHBondContact O-N 3.44Å; G336-I339 PolarHBondContact O-N 3.14Å; I337-I339 PolarHBondContact O-N 3.07Å; I339-M341 PolarHBondContact O-N 3.33Å; I339-T342 WeakPolarHBondContact O-CB 3.34Å; I339-T342 PolarHBondContact O-N 2.97Å; I339-T342 VanDerWaalsContact O-N 3.11Å; I339-L343 HydrophobicContact CG2-CD1 3.92Å; I339-L343 WeakPolarHBondContact O-CG 3.16Å; I339-L343 PolarHBondContact O-N 3.25Å
340	M	98.8	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-68.9	-32.5	-179.3	-63.6	-53.1	-74.6	0	0	112.7	C192 V194 A215 L217 G336 I337 T342 L343 C344 V347	C192-M340 HydrophobicContact CB-CE 3.55Å; V194-M340 HydrophobicContact CG2-CB 3.88Å; V194-M340 HydrophobicContact CG2-CG 3.57Å; A215-M340 HydrophobicContact CB-CE 4.12Å; L217-M340 HydrophobicContact CB-CE 4.28Å; L217-M340 HydrophobicContact CB-CG 3.86Å; L217-M340 HydrophobicContact CB-SD 3.84Å; L217-M340 HydrophobicContact CD1-CG 3.72Å; L217-M340 HydrophobicContact CD1-SD 3.64Å; L217-M340 HydrophobicContact CG-CG 4.34Å; L217-M340 HydrophobicContact CG-SD 4.36Å; G336-M340 VanDerWaalsContact O-CG 3.31Å; G336-M340 WeakPolarHBondContact O-CG 3.31Å; G336-M340 PolarHBondContact O-N 3.04Å; I337-M340 PolarHBondContact O-N 3.49Å; M340-T342 PolarHBondContact O-N 2.83Å; M340-L343 PolarHBondContact O-N 3.39Å; M340-L343 VanDerWaalsContact O-N 3.12Å; M340-L343 HydrophobicContact SD-CD1 4.22Å; M340-C344 VanDerWaalsContact O-CB 3.31Å; M340-C344 WeakPolarHBondContact O-CB 3.49Å; M340-C344 PolarHBondContact O-N 3.04Å; M340-C344 PolarHBondContact O-SG 3.17Å; M340-C344 VanDerWaalsContact O-SG 3.35Å; M340-V347 HydrophobicContact CB-CG1 4.01Å; M340-V347 HydrophobicContact CB-CG2 3.98Å
341	M	98.6	Very high	98.7	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-64	-27.6	172.3	-71.4	173.8	75.4	0	0	112.1	L149 I337 V338 I339 V347 I391 L407 P408 G409 F410	L149-M341 HydrophobicContact CD2-CE 3.57Å; I337-M341 HydrophobicContact CG2-CG 4.4Å; I337-M341 HydrophobicContact CG2-SD 3.86Å; I337-M341 WeakPolarHBondContact O-CG 3.45Å; I337-M341 PolarHBondContact O-N 2.87Å; V338-M341 PolarHBondContact O-N 3.21Å; I339-M341 PolarHBondContact O-N 3.33Å; M341-V347 HydrophobicContact CG-CB 4.5Å; M341-V347 HydrophobicContact CG-CG2 4.01Å; M341-I391 HydrophobicContact CE-CD1 4.28Å; M341-L407 HydrophobicContact CE-CB 4.4Å; M341-L407 HydrophobicContact CG-CB 4.48Å; M341-L407 HydrophobicContact SD-CB 4.32Å; M341-L407 HydrophobicContact SD-CD1 4.07Å; M341-P408 WeakPolarHBondContact CE-O 3.39Å; M341-G409 CarbonylContact O-C 3.51Å; M341-G409 WeakPolarHBondContact O-CA 3.35Å; M341-F410 HydrophobicContact CB-CD1 4.46Å; M341-F410 HydrophobicContact CB-CD2 4.04Å; M341-F410 HydrophobicContact CB-CE1 4.29Å; M341-F410 HydrophobicContact CB-CE2 3.85Å; M341-F410 HydrophobicContact CB-CG 4.32Å; M341-F410 HydrophobicContact CB-CZ 3.97Å; M341-F410 HydrophobicContact CE-CD1 4.17Å; M341-F410 HydrophobicContact CE-CE1 3.64Å; M341-F410 HydrophobicContact CE-CZ 4.14Å; M341-F410 PolarHBondContact O-N 3.33Å; M341-F410 HydrophobicContact SD-CE1 4.45Å; M341-F410 HydrophobicContact SD-CZ 4.37Å
342	T	97.6	Very high	98.7	Very high	28 Å²	28	8.2 Å²	8.2	17%	0.172	5%	0.045	C	C	.	.	H	α-helix	trans	-72.2	-39.7	172.1	-52	0	0	0	0	111.4	T158 V338 I339 M340	T158-T342 WeakPolarHBondContact CG2-OG1 3.43Å; T158-T342 WeakPolarHBondContact OG1-CB 3.46Å; T158-T342 VanDerWaalsContact OG1-CG2 3.26Å; T158-T342 WeakPolarHBondContact OG1-CG2 3.37Å; T158-T342 PolarHBondContact OG1-OG1 3.49Å; V338-T342 PolarHBondContact O-N 3.19Å; V338-T342 VanDerWaalsContact O-N 3.15Å; V338-T342 PolarHBondContact O-OG1 2.99Å; I339-T342 WeakPolarHBondContact O-CB 3.34Å; I339-T342 PolarHBondContact O-N 2.97Å; I339-T342 VanDerWaalsContact O-N 3.11Å; M340-T342 PolarHBondContact O-N 2.83Å
343	L	97.7	Very high	98.7	Very high	5 Å²	5	7.8 Å²	7.8	3%	0.026	4%	0.042	C	C	.	.	H	α-helix	trans	-87.5	-22.3	-170.3	-66.4	173.3	0	0	0	114.4	L182 N183 M186 I339 M340 R411	L182-L343 HydrophobicContact CD2-CD1 4.05Å; L182-L343 HydrophobicContact CG-CD1 4.27Å; L182-L343 HydrophobicContact CG-CD2 4.36Å; N183-L343 WeakPolarHBondContact OD1-CD2 3.24Å; M186-L343 HydrophobicContact CB-CD2 4.3Å; M186-L343 HydrophobicContact CE-CD1 4.33Å; M186-L343 HydrophobicContact CG-CD1 4.34Å; I339-L343 HydrophobicContact CG2-CD1 3.92Å; I339-L343 WeakPolarHBondContact O-CG 3.16Å; I339-L343 PolarHBondContact O-N 3.25Å; M340-L343 PolarHBondContact O-N 3.39Å; M340-L343 VanDerWaalsContact O-N 3.12Å; M340-L343 HydrophobicContact SD-CD1 4.22Å; L343-R411 VanDerWaalsContact C-NH2 3.32Å; L343-R411 PolarHBondContact O-NH2 3.23Å
344	C	98.5	Very high	98.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	159.8	-169.1	-49.5	0	0	0	0	111.9	L189 C192 M340 V347 G409	L189-C344 HydrophobicContact CB-CB 4.39Å; L189-C344 CarbonylContact O-C 3.58Å; L189-C344 WeakPolarHBondContact O-CA 3.5Å; C192-C344 HydrophobicContact CB-CB 3.66Å; C192-C344 WeakPolarHBondContact CB-SG 3.17Å; C192-C344 WeakPolarHBondContact SG-CB 3.47Å; C192-C344 CovalentContact SG-SG 2.01Å; C192-C344 PolarHBondContact SG-SG 3.04Å; M340-C344 VanDerWaalsContact O-CB 3.31Å; M340-C344 WeakPolarHBondContact O-CB 3.49Å; M340-C344 PolarHBondContact O-N 3.04Å; M340-C344 PolarHBondContact O-SG 3.17Å; M340-C344 VanDerWaalsContact O-SG 3.35Å; C344-V347 HydrophobicContact CB-CG2 4.06Å; C344-G409 WeakPolarHBondContact O-CA 3.35Å
345	D	98.4	Very high	98.6	Very high	20 Å²	20	7.9 Å²	7.9	11%	0.107	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-29.7	174.4	-70.8	-20.3	0	0	0	111.5	R188 L189 E190 G409 R411 N412	R188-D345 IonicContact CZ-OD2 2.9Å; R188-D345 IonicContact NE-OD2 3.97Å; R188-D345 PolarHBondContact NE-OD2 3.16Å; R188-D345 IonicContact NH2-OD1 3.46Å; R188-D345 IonicContact NH2-OD2 2.73Å; R188-D345 PolarHBondContact NH2-OD2 3.16Å; L189-D345 PolarHBondContact O-N 2.89Å; L189-D345 VanDerWaalsContact O-N 3.07Å; E190-D345 CarbonylContact O-C 3.59Å; E190-D345 WeakPolarHBondContact O-CA 3.43Å; E190-D345 PolarHBondContact O-N 2.89Å; D345-G409 WeakPolarHBondContact O-CA 3.49Å; D345-G409 PolarHBondContact O-N 2.92Å; D345-R411 IonicContact OD1-CZ 3.65Å; D345-R411 IonicContact OD1-NE 2.66Å; D345-R411 IonicContact OD1-NH1 2.68Å; D345-R411 PolarHBondContact OD1-NH1 3.5Å; D345-R411 IonicContact OD1-NH2 3.8Å; D345-R411 PolarHBondContact OD1-NH2 3.18Å; D345-R411 IonicContact OD2-NH1 2.74Å; D345-N412 WeakPolarHBondContact CB-ND2 3.49Å; D345-N412 PolarHBondContact O-ND2 3.1Å
346	E	98.8	Very high	98.6	Very high	65 Å²	65	13.9 Å²	13.9	30%	0.304	7%	0.067	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.4	175.7	-174.6	179.6	89.8	0	0	110.5	E190 R191 C192 H348 T406	E190-E346 PolarHBondContact O-N 2.95Å; R191-E346 HydrophobicContact CG-CB 4.48Å; R191-E346 IonicContact NE-OE1 3.74Å; C192-E346 PolarHBondContact N-O 3.17Å; E346-H348 IonicContact OE1-CD2 3.8Å; E346-H348 IonicContact OE1-CE1 2.83Å; E346-H348 IonicContact OE1-NE2 3.25Å; E346-H348 PolarHBondContact OE1-NE2 3.39Å; E346-T406 HydrophobicContact CG-CG2 3.78Å
347	V	98.9	Very high	98.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.7	-179.7	-174.4	0	0	0	0	110.3	C192 V194 M340 M341 C344 V349 L407	C192-V347 CarbonylContact O-C 3.54Å; C192-V347 WeakPolarHBondContact O-CA 3.25Å; V194-V347 HydrophobicContact CG2-CG1 3.73Å; M340-V347 HydrophobicContact CB-CG1 4.01Å; M340-V347 HydrophobicContact CB-CG2 3.98Å; M341-V347 HydrophobicContact CG-CB 4.5Å; M341-V347 HydrophobicContact CG-CG2 4.01Å; C344-V347 HydrophobicContact CB-CG2 4.06Å; V347-V349 HydrophobicContact CG1-CG2 4.05Å; V347-L407 HydrophobicContact CB-CB 4.46Å; V347-L407 PolarHBondContact N-O 3.42Å; V347-L407 PolarHBondContact O-N 3.3Å
348	H	98.9	Very high	98.5	Very high	13 Å²	13	20.7 Å²	20.7	6%	0.06	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.7	170.3	-69.6	-165	0	0	0	108.6	C192 A193 V194 H213 E346 Y350 K404 V405	C192-H348 PolarHBondContact O-N 2.89Å; A193-H348 CarbonylContact C-O 3.59Å; A193-H348 VanDerWaalsContact CA-O 3.3Å; A193-H348 WeakPolarHBondContact CA-O 3.28Å; V194-H348 PolarHBondContact N-O 3.42Å; H213-H348 AromaticContact CE1-ND1 3.91Å; H213-H348 AromaticContact NE2-CE1 3.89Å; H213-H348 AromaticContact NE2-CG 3.5Å; H213-H348 AromaticContact NE2-ND1 3.25Å; H213-H348 PolarHBondContact NE2-ND1 3.49Å; E346-H348 IonicContact OE1-CD2 3.8Å; E346-H348 IonicContact OE1-CE1 2.83Å; E346-H348 IonicContact OE1-NE2 3.25Å; E346-H348 PolarHBondContact OE1-NE2 3.39Å; H348-Y350 HydrophobicContact CB-CE2 3.66Å; H348-K404 HydrophobicContact CB-CD 4.36Å; H348-K404 HydrophobicContact CB-CG 4.49Å; H348-V405 CarbonylContact C-O 3.59Å; H348-V405 WeakPolarHBondContact CA-O 3.33Å
349	V	98.9	Very high	98.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.9	179	-168.2	0	0	0	0	109	V194 I337 V347 F352 K404 V405 L407	V194-V349 HydrophobicContact CB-CB 4.38Å; V194-V349 HydrophobicContact CB-CG1 4.03Å; V194-V349 HydrophobicContact CB-CG2 4.21Å; V194-V349 HydrophobicContact CG1-CG1 4.01Å; V194-V349 WeakPolarHBondContact O-CA 3.23Å; I337-V349 HydrophobicContact CD1-CG1 3.82Å; I337-V349 HydrophobicContact CD1-CG2 4.15Å; I337-V349 HydrophobicContact CG1-CG1 3.97Å; I337-V349 HydrophobicContact CG1-CG2 3.86Å; I337-V349 HydrophobicContact CG2-CG2 4.49Å; V347-V349 HydrophobicContact CG1-CG2 4.05Å; V349-F352 HydrophobicContact CG1-CB 3.5Å; V349-F352 HydrophobicContact CG1-CG 4.24Å; V349-K404 WeakPolarHBondContact O-CA 3.37Å; V349-V405 HydrophobicContact CB-CG2 3.5Å; V349-V405 VanDerWaalsContact CB-CG2 3.5Å; V349-V405 HydrophobicContact CG1-CG2 4.48Å; V349-V405 HydrophobicContact CG2-CG2 3.93Å; V349-V405 PolarHBondContact N-O 3.37Å; V349-V405 PolarHBondContact O-N 3.32Å; V349-L407 HydrophobicContact CG2-CD1 3.93Å
350	Y	98.9	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.8	-173.7	-64.9	-85.8	0	0	0	111.7	A193 V194 S196 L206 E209 I210 H213 H348 F352 G403 K404	A193-Y350 HydrophobicContact CB-CD2 4.2Å; A193-Y350 HydrophobicContact CB-CE2 3.81Å; V194-Y350 PolarHBondContact O-N 3.39Å; S196-Y350 VanDerWaalsContact CB-O 3.25Å; S196-Y350 WeakPolarHBondContact CB-O 3.32Å; S196-Y350 PolarHBondContact N-O 3.01Å; S196-Y350 VanDerWaalsContact N-O 3.1Å; S196-Y350 PolarHBondContact OG-O 2.88Å; L206-Y350 HydrophobicContact CD1-CD1 3.99Å; L206-Y350 HydrophobicContact CD2-CD1 4.39Å; L206-Y350 HydrophobicContact CD2-CE1 4.35Å; E209-Y350 WeakPolarHBondContact CG-OH 3.49Å; E209-Y350 WeakPolarHBondContact OE1-CE1 3.13Å; E209-Y350 PolarHBondContact OE1-OH 2.91Å; I210-Y350 HydrophobicContact CD1-CG 4.47Å; I210-Y350 HydrophobicContact CG1-CD1 4.47Å; I210-Y350 HydrophobicContact CG1-CD2 3.95Å; I210-Y350 HydrophobicContact CG1-CE1 4.44Å; I210-Y350 HydrophobicContact CG1-CE2 3.94Å; I210-Y350 HydrophobicContact CG1-CG 4.22Å; H213-Y350 PolarHBondContact CE1-OH 3.05Å; H348-Y350 HydrophobicContact CB-CE2 3.66Å; Y350-F352 PolarHBondContact O-N 3Å; Y350-F352 VanDerWaalsContact O-N 3.08Å; Y350-G403 CarbonylContact C-O 3.59Å; Y350-K404 HydrophobicContact CD1-CB 4.19Å; Y350-K404 HydrophobicContact CD1-CG 4.41Å; Y350-K404 HydrophobicContact CE1-CB 4.1Å; Y350-K404 HydrophobicContact CE1-CD 3.74Å; Y350-K404 HydrophobicContact CE1-CG 4.01Å
351	E	98.8	Very high	98.3	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.014	14%	0.135	C	C	.	.	S	Bend	trans	53.5	27.6	176.7	-65.8	-70.5	175.5	0	0	113.7	S196 A198 S200 L201 S355 R357 G403	S196-E351 WeakPolarHBondContact CB-O 2.99Å; S196-E351 VanDerWaalsContact OG-C 3.26Å; S196-E351 PolarHBondContact OG-O 3.1Å; A198-E351 HydrophobicContact CB-CB 4.26Å; S200-E351 WeakPolarHBondContact CB-OE2 3.3Å; S200-E351 VanDerWaalsContact OG-CD 3.23Å; S200-E351 PolarHBondContact OG-OE2 3.29Å; L201-E351 HydrophobicContact CD2-CB 3.98Å; L201-E351 HydrophobicContact CD2-CG 3.61Å; L201-E351 HydrophobicContact CG-CB 3.81Å; L201-E351 HydrophobicContact CG-CG 3.74Å; E351-S355 WeakPolarHBondContact OE1-CB 3.48Å; E351-S355 PolarHBondContact OE1-OG 2.85Å; E351-S355 PolarHBondContact OE2-N 3.18Å; E351-R357 IonicContact OE1-CZ 3.5Å; E351-R357 IonicContact OE1-NE 3.64Å; E351-R357 PolarHBondContact OE1-NE 3.2Å; E351-R357 IonicContact OE1-NH2 2.57Å; E351-R357 PolarHBondContact OE1-NH2 3.43Å; E351-G403 PolarHBondContact N-O 3.46Å
352	F	98.8	Very high	98.2	Very high	11 Å²	11	27.4 Å²	27.4	5%	0.048	14%	0.136	C	C	.	.	S	Bend	trans	-80.8	-53.7	162.8	-172.1	-98.3	0	0	0	109.4	I337 V349 Y350 L381 E384 K385 V388	I337-F352 HydrophobicContact CD1-CD1 4.05Å; I337-F352 HydrophobicContact CD1-CD2 4.21Å; I337-F352 HydrophobicContact CD1-CE1 4.15Å; I337-F352 HydrophobicContact CD1-CE2 4.31Å; I337-F352 HydrophobicContact CD1-CG 4.08Å; I337-F352 HydrophobicContact CD1-CZ 4.28Å; V349-F352 HydrophobicContact CG1-CB 3.5Å; V349-F352 HydrophobicContact CG1-CG 4.24Å; Y350-F352 PolarHBondContact O-N 3Å; Y350-F352 VanDerWaalsContact O-N 3.08Å; F352-L381 HydrophobicContact CE2-CD1 3.72Å; F352-L381 HydrophobicContact CZ-CD1 3.8Å; F352-E384 HydrophobicContact CE1-CB 4.39Å; F352-E384 HydrophobicContact CZ-CB 3.9Å; F352-K385 HydrophobicContact CD1-CG 3.99Å; F352-K385 HydrophobicContact CE1-CB 4.36Å; F352-K385 HydrophobicContact CE1-CG 3.6Å; F352-K385 HydrophobicContact CZ-CG 4.11Å; F352-K385 WeakPolarHBondContact O-CE 3.38Å; F352-K385 PolarHBondContact O-NZ 3.02Å; F352-V388 HydrophobicContact CD1-CB 4.18Å; F352-V388 HydrophobicContact CD1-CG1 4.09Å; F352-V388 HydrophobicContact CD1-CG2 4.02Å; F352-V388 HydrophobicContact CE1-CB 4.07Å; F352-V388 HydrophobicContact CE1-CG1 4.48Å; F352-V388 HydrophobicContact CE1-CG2 3.65Å
353	L	98.8	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-81.2	122.7	158.9	-58.4	-163.8	0	0	0	108.1	W104 K385 V388 K389 I399 V405	W104-L353 HydrophobicContact CB-CD1 4.25Å; W104-L353 HydrophobicContact CB-CD2 4.25Å; W104-L353 HydrophobicContact CD2-CD2 4.45Å; W104-L353 HydrophobicContact CG-CD2 4.06Å; L353-K385 HydrophobicContact CD2-CB 3.6Å; L353-K385 HydrophobicContact CD2-CD 4.42Å; L353-K385 HydrophobicContact CD2-CG 3.85Å; L353-K385 WeakPolarHBondContact CD2-O 3.45Å; L353-V388 HydrophobicContact CD1-CG1 4.41Å; L353-V388 HydrophobicContact CD2-CG1 4.35Å; L353-V388 HydrophobicContact CG-CG1 4.16Å; L353-K389 HydrophobicContact CD1-CB 3.7Å; L353-K389 HydrophobicContact CD1-CD 3.73Å; L353-K389 HydrophobicContact CD1-CG 4.25Å; L353-I399 HydrophobicContact CB-CG2 4.05Å; L353-I399 HydrophobicContact CD1-CD1 4.03Å; L353-V405 HydrophobicContact CB-CG1 4.17Å; L353-V405 HydrophobicContact CD1-CG1 3.41Å; L353-V405 VanDerWaalsContact CD1-CG1 3.41Å; L353-V405 HydrophobicContact CG-CG1 3.77Å
354	P	97.9	Very high	98.3	Very high	10 Å²	10	28.6 Å²	28.6	7%	0.065	14%	0.139	C	C	.	.			trans	-70.4	140.5	-172.3	29.6	-34.7	0	0	0	111.1	W104 Q358 T374	W104-P354 HydrophobicContact CE3-CG 3.94Å; W104-P354 HydrophobicContact CZ3-CG 4.3Å; P354-Q358 HydrophobicContact CB-CB 3.95Å; P354-Q358 HydrophobicContact CB-CG 3.9Å; P354-Q358 HydrophobicContact CG-CG 4.31Å; P354-T374 HydrophobicContact CB-CG2 4.47Å; P354-T374 HydrophobicContact CG-CG2 4.43Å
355	S	98.6	Very high	98.2	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.042	15%	0.15	C	C	.	.			trans	-78.7	-171.2	170.5	71.6	0	0	0	0	112.6	E351 R357 Q358 I399 Y400	E351-S355 WeakPolarHBondContact OE1-CB 3.48Å; E351-S355 PolarHBondContact OE1-OG 2.85Å; E351-S355 PolarHBondContact OE2-N 3.18Å; S355-R357 PolarHBondContact O-N 3.27Å; S355-R357 WeakPolarHBondContact OG-CB 3.19Å; S355-R357 VanDerWaalsContact OG-CZ 3.27Å; S355-R357 PolarHBondContact OG-N 3.4Å; S355-R357 PolarHBondContact OG-NE 2.93Å; S355-R357 PolarHBondContact OG-NH2 3.16Å; S355-Q358 PolarHBondContact O-N 3.47Å; S355-I399 VanDerWaalsContact CA-O 3.26Å; S355-I399 WeakPolarHBondContact CA-O 3.27Å; S355-I399 WeakPolarHBondContact CB-O 3.35Å; S355-Y400 WeakPolarHBondContact CB-O 3.24Å
356	K	97.8	Very high	98	Very high	127 Å²	127	34 Å²	34	55%	0.552	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.1	166.3	71.8	-175.9	-179.9	176.6	0	113.8	Q358 Y400	K356-Q358 VanDerWaalsContact C-N 3.25Å; K356-Q358 PolarHBondContact O-N 3.23Å; K356-Y400 HydrophobicContact CB-CD1 4.42Å; K356-Y400 HydrophobicContact CB-CD2 3.87Å; K356-Y400 HydrophobicContact CB-CE1 4.12Å; K356-Y400 HydrophobicContact CB-CE2 3.54Å; K356-Y400 HydrophobicContact CB-CG 4.3Å; K356-Y400 WeakPolarHBondContact CB-O 3.33Å; K356-Y400 HydrophobicContact CD-CD1 4.3Å; K356-Y400 HydrophobicContact CD-CE1 3.81Å; K356-Y400 WeakPolarHBondContact CG-O 3.33Å; K356-Y400 PolarHBondContact N-O 2.94Å
357	R	98.3	Very high	97.8	Very high	52 Å²	52	40.3 Å²	40.3	20%	0.196	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	12	174.9	-61.3	175.3	-68.2	-81	-5.8	113.2	S200 E351 S355 T359 T401 H402	S200-R357 VanDerWaalsContact CB-O 3.24Å; S200-R357 WeakPolarHBondContact CB-O 3.42Å; S200-R357 WeakPolarHBondContact O-CD 3.4Å; S200-R357 PolarHBondContact O-NE 2.94Å; E351-R357 IonicContact OE1-CZ 3.5Å; E351-R357 IonicContact OE1-NE 3.64Å; E351-R357 PolarHBondContact OE1-NE 3.2Å; E351-R357 IonicContact OE1-NH2 2.57Å; E351-R357 PolarHBondContact OE1-NH2 3.43Å; S355-R357 PolarHBondContact O-N 3.27Å; S355-R357 WeakPolarHBondContact OG-CB 3.19Å; S355-R357 VanDerWaalsContact OG-CZ 3.27Å; S355-R357 PolarHBondContact OG-N 3.4Å; S355-R357 PolarHBondContact OG-NE 2.93Å; S355-R357 PolarHBondContact OG-NH2 3.16Å; R357-T359 PolarHBondContact O-N 2.78Å; R357-T401 PolarHBondContact NH1-O 3.37Å; R357-T401 PolarHBondContact NH2-O 2.99Å; R357-H402 PolarHBondContact NH2-O 3.46Å
358	Q	97.6	Very high	97.6	Very high	90 Å²	90	44.9 Å²	44.9	42%	0.421	21%	0.208	S	C	.	.			trans	-46.9	127.1	176.9	-172.1	176.5	6	0	0	110.9	P354 S355 K356 T374	P354-Q358 HydrophobicContact CB-CB 3.95Å; P354-Q358 HydrophobicContact CB-CG 3.9Å; P354-Q358 HydrophobicContact CG-CG 4.31Å; S355-Q358 PolarHBondContact O-N 3.47Å; K356-Q358 VanDerWaalsContact C-N 3.25Å; K356-Q358 PolarHBondContact O-N 3.23Å; Q358-T374 HydrophobicContact CG-CG2 4.45Å
359	T	97.5	Very high	97.6	Very high	44 Å²	44	50.6 Å²	50.6	27%	0.27	23%	0.234	S	C	.	.			trans	-141.6	160.6	-175.9	-178.7	0	0	0	0	110.5	R357 V361	R357-T359 PolarHBondContact O-N 2.78Å; T359-V361 VanDerWaalsContact C-N 3.32Å; T359-V361 HydrophobicContact CG2-CB 3.9Å; T359-V361 PolarHBondContact OG1-N 3.11Å
360	D	97.4	Very high	97.4	Very high	67 Å²	67	52.9 Å²	52.9	36%	0.358	25%	0.246	S	C	.	.	S	Bend	trans	-83.7	-10.3	170.9	-73.6	-12.7	0	0	0	111.8	C362 H369 D370 R371	D360-C362 PolarHBondContact O-N 3.06Å; D360-C362 VanDerWaalsContact O-N 3.13Å; D360-H369 HydrophobicContact CB-CB 4.28Å; D360-H369 CarbonylContact O-C 3.6Å; D360-H369 WeakPolarHBondContact O-CA 3.32Å; D360-D370 CarbonylContact O-C 3.46Å; D360-D370 PolarHBondContact O-N 2.82Å; D360-R371 WeakPolarHBondContact OD1-CB 3.49Å; D360-R371 WeakPolarHBondContact OD1-CD 3.25Å; D360-R371 WeakPolarHBondContact OD1-CG 2.98Å
361	V	97.8	Very high	97.2	Very high	31 Å²	31	57.4 Å²	57.4	19%	0.188	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-59	118.1	169.5	177.7	0	0	0	0	108.8	G199 T359 H363 H369	G199-V361 WeakPolarHBondContact CA-O 3.34Å; G199-V361 PolarHBondContact N-O 2.94Å; T359-V361 VanDerWaalsContact C-N 3.32Å; T359-V361 HydrophobicContact CG2-CB 3.9Å; T359-V361 PolarHBondContact OG1-N 3.11Å; V361-H363 WeakPolarHBondContact CG1-O 3.32Å; V361-H369 WeakPolarHBondContact CG2-NE2 3.34Å
362	C	96.5	Very high	97.1	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.02	27%	0.267	C	S	.	.			trans	-66.9	-47.3	-169.8	179	0	0	0	0	112	G199 D360 F368 C373	G199-C362 PolarHBondContact N-O 2.68Å; D360-C362 PolarHBondContact O-N 3.06Å; D360-C362 VanDerWaalsContact O-N 3.13Å; C362-F368 HydrophobicContact CB-CD2 3.84Å; C362-F368 HydrophobicContact CB-CE1 4.32Å; C362-F368 HydrophobicContact CB-CE2 3.21Å; C362-F368 HydrophobicContact CB-CZ 3.5Å; C362-F368 VanDerWaalsContact CB-CZ 3.5Å; C362-F368 PolarHBondContact N-O 3.07Å; C362-F368 VanDerWaalsContact N-O 3.11Å; C362-F368 VanDerWaalsContact SG-CE2 3.55Å; C362-F368 WeakPolarHBondContact SG-CZ 3.49Å; C362-C373 HydrophobicContact CB-CB 3.76Å; C362-C373 WeakPolarHBondContact CB-SG 3.3Å; C362-C373 WeakPolarHBondContact SG-CB 3.21Å; C362-C373 CovalentContact SG-SG 2.02Å; C362-C373 PolarHBondContact SG-SG 3.29Å
363	H	98.2	Very high	96.9	Very high	49 Å²	49	59.3 Å²	59.3	23%	0.227	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-133	146.4	-178.7	-53.8	120.5	0	0	0	112.9	S197 V361 Y365 Q366	S197-H363 WeakPolarHBondContact O-CA 3.4Å; S197-H363 WeakPolarHBondContact O-CB 3.43Å; S197-H363 PolarHBondContact O-CD2 3.08Å; V361-H363 WeakPolarHBondContact CG1-O 3.32Å; H363-Y365 HydrophobicContact CB-CD1 3.95Å; H363-Y365 HydrophobicContact CB-CE1 3.66Å; H363-Y365 HydrophobicContact CB-CE2 4.44Å; H363-Y365 HydrophobicContact CB-CG 4.47Å; H363-Y365 PolarHBondContact O-N 3.09Å; H363-Y365 VanDerWaalsContact O-N 3.12Å; H363-Q366 HydrophobicContact CB-CB 4.25Å; H363-Q366 HydrophobicContact CB-CG 4.4Å; H363-Q366 PolarHBondContact ND1-OE1 3.3Å; H363-Q366 PolarHBondContact O-N 3.27Å; H363-Q366 VanDerWaalsContact O-O 3.14Å
364	Y	98.5	Very high	96.8	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.035	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24	-177.7	64	-101	0	0	0	113.6	S197 L201 A222 P223 F227 V231	S197-Y364 WeakPolarHBondContact O-CD1 3.5Å; S197-Y364 PolarHBondContact O-N 2.87Å; L201-Y364 HydrophobicContact CB-CD1 4.23Å; L201-Y364 HydrophobicContact CB-CG 4.41Å; L201-Y364 HydrophobicContact CD1-CD1 3.65Å; L201-Y364 HydrophobicContact CD1-CE1 3.96Å; A222-Y364 HydrophobicContact CB-CE1 4.26Å; A222-Y364 WeakPolarHBondContact CB-OH 3.43Å; P223-Y364 HydrophobicContact CG-CE2 4.33Å; P223-Y364 VanDerWaalsContact O-CE2 3.28Å; P223-Y364 WeakPolarHBondContact O-CE2 3.31Å; P223-Y364 PolarHBondContact O-OH 3.12Å; F227-Y364 HydrophobicContact CB-CD2 4.25Å; F227-Y364 HydrophobicContact CB-CE2 4.1Å; F227-Y364 AromaticContact CD1-CD2 3.74Å; F227-Y364 HydrophobicContact CD1-CD2 3.74Å; F227-Y364 HydrophobicContact CD1-CE2 4.31Å; F227-Y364 HydrophobicContact CD2-CD2 4.18Å; F227-Y364 AromaticContact CD2-CE2 3.99Å; F227-Y364 HydrophobicContact CD2-CE2 3.99Å; F227-Y364 HydrophobicContact CE1-CD2 4.12Å; F227-Y364 WeakPolarHBondContact CE1-O 3.32Å; F227-Y364 AromaticContact CG-CD2 3.78Å; F227-Y364 HydrophobicContact CG-CD2 3.78Å; F227-Y364 AromaticContact CG-CE2 3.86Å; F227-Y364 HydrophobicContact CG-CE2 3.86Å; V231-Y364 HydrophobicContact CG1-CD1 4.27Å; V231-Y364 HydrophobicContact CG1-CD2 4.19Å; V231-Y364 HydrophobicContact CG1-CE1 4.13Å; V231-Y364 HydrophobicContact CG1-CE2 4.06Å; V231-Y364 HydrophobicContact CG1-CG 4.29Å; V231-Y364 HydrophobicContact CG2-CE2 4.33Å
365	Y	97.5	Very high	96.8	Very high	61 Å²	61	60.3 Å²	60.3	24%	0.239	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	8.6	-179.3	59.5	-86.9	0	0	0	113.5	A222 P223 H363	A222-Y365 HydrophobicContact CB-CD1 4.44Å; A222-Y365 HydrophobicContact CB-CE1 3.8Å; P223-Y365 VanDerWaalsContact CD-CD1 3.44Å; P223-Y365 HydrophobicContact CG-CD1 4.41Å; P223-Y365 HydrophobicContact CG-CD2 4.4Å; P223-Y365 HydrophobicContact CG-CG 3.92Å; H363-Y365 HydrophobicContact CB-CD1 3.95Å; H363-Y365 HydrophobicContact CB-CE1 3.66Å; H363-Y365 HydrophobicContact CB-CE2 4.44Å; H363-Y365 HydrophobicContact CB-CG 4.47Å; H363-Y365 PolarHBondContact O-N 3.09Å; H363-Y365 VanDerWaalsContact O-N 3.12Å
366	Q	94.6	Very high	96.6	Very high	72 Å²	72	60.1 Å²	60.1	34%	0.336	28%	0.282	S	S	.	.			trans	-130.5	166.4	179.1	-67.8	178.7	-31.8	0	0	111.2	H363 F368	H363-Q366 HydrophobicContact CB-CB 4.25Å; H363-Q366 HydrophobicContact CB-CG 4.4Å; H363-Q366 PolarHBondContact ND1-OE1 3.3Å; H363-Q366 PolarHBondContact O-N 3.27Å; H363-Q366 VanDerWaalsContact O-O 3.14Å; Q366-F368 HydrophobicContact CB-CD1 4.17Å; Q366-F368 HydrophobicContact CB-CE1 4.39Å
367	K	93.9	Very high	96.6	Very high	198 Å²	198	55.2 Å²	55.2	86%	0.861	27%	0.265	S	S	*	.			trans	-111.1	-5.5	-176.2	-61.7	-177.2	-178.2	177.4	0	114	H369	K367-H369 PolarHBondContact O-CE1 2.64Å; K367-H369 PolarHBondContact O-ND1 2.92Å
368	F	95.3	Very high	96.6	Very high	96 Å²	96	55.1 Å²	55.1	42%	0.421	27%	0.265	S	S	.	.			trans	-82.1	151.7	-178.5	80	-102	0	0	0	111.7	C362 Q366 D370	C362-F368 HydrophobicContact CB-CD2 3.84Å; C362-F368 HydrophobicContact CB-CE1 4.32Å; C362-F368 HydrophobicContact CB-CE2 3.21Å; C362-F368 HydrophobicContact CB-CZ 3.5Å; C362-F368 VanDerWaalsContact CB-CZ 3.5Å; C362-F368 PolarHBondContact N-O 3.07Å; C362-F368 VanDerWaalsContact N-O 3.11Å; C362-F368 VanDerWaalsContact SG-CE2 3.55Å; C362-F368 WeakPolarHBondContact SG-CZ 3.49Å; Q366-F368 HydrophobicContact CB-CD1 4.17Å; Q366-F368 HydrophobicContact CB-CE1 4.39Å; F368-D370 HydrophobicContact CD2-CB 4.28Å; F368-D370 HydrophobicContact CE2-CB 4.04Å
369	H	97	Very high	96.6	Very high	133 Å²	133	53.2 Å²	53.2	62%	0.616	26%	0.256	S	S	*	.	B	Isolated β-bridge	trans	-110.1	121.4	-177.2	-62.1	73.1	0	0	0	109.6	D360 V361 K367	D360-H369 HydrophobicContact CB-CB 4.28Å; D360-H369 CarbonylContact O-C 3.6Å; D360-H369 WeakPolarHBondContact O-CA 3.32Å; V361-H369 WeakPolarHBondContact CG2-NE2 3.34Å; K367-H369 PolarHBondContact O-CE1 2.64Å; K367-H369 PolarHBondContact O-ND1 2.92Å
370	D	95.6	Very high	96.7	Very high	49 Å²	49	51.1 Å²	51.1	26%	0.262	24%	0.243	S	C	.	.			trans	-150.7	109.3	168.5	-169.2	-3.4	0	0	0	110.8	R116 D360 F368 A372 C373	R116-D370 IonicContact CZ-OD1 2.64Å; R116-D370 IonicContact NH1-OD1 2.82Å; R116-D370 IonicContact NH2-OD1 2.92Å; R116-D370 PolarHBondContact NH2-OD1 3.39Å; D360-D370 CarbonylContact O-C 3.46Å; D360-D370 PolarHBondContact O-N 2.82Å; F368-D370 HydrophobicContact CD2-CB 4.28Å; F368-D370 HydrophobicContact CE2-CB 4.04Å; D370-A372 PolarHBondContact O-N 3.07Å; D370-A372 WeakPolarHBondContact OD1-CB 3.45Å; D370-A372 PolarHBondContact OD1-N 3.06Å; D370-A372 WeakPolarHBondContact OD2-CB 3.42Å; D370-C373 WeakPolarHBondContact O-CB 3.32Å; D370-C373 PolarHBondContact O-N 3.26Å
371	R	95.2	Very high	96.7	Very high	95 Å²	95	48.8 Å²	48.8	36%	0.358	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-20	175	-165	161.5	-172.5	161.6	3.4	113.4	D360 C373 T374 M375	D360-R371 WeakPolarHBondContact OD1-CB 3.49Å; D360-R371 WeakPolarHBondContact OD1-CD 3.25Å; D360-R371 WeakPolarHBondContact OD1-CG 2.98Å; R371-C373 PolarHBondContact O-N 3.26Å; R371-T374 PolarHBondContact O-N 3.48Å; R371-M375 HydrophobicContact CG-CG 3.76Å; R371-M375 WeakPolarHBondContact O-CB 3.48Å; R371-M375 PolarHBondContact O-N 3.17Å
372	A	95.8	Very high	96.7	Very high	10 Å²	10	47.4 Å²	47.4	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-30.9	173.2	0	0	0	0	0	112.9	L117 D370 T374 G376 A377	L117-A372 HydrophobicContact CD2-CB 3.84Å; D370-A372 PolarHBondContact O-N 3.07Å; D370-A372 WeakPolarHBondContact OD1-CB 3.45Å; D370-A372 PolarHBondContact OD1-N 3.06Å; D370-A372 WeakPolarHBondContact OD2-CB 3.42Å; A372-T374 PolarHBondContact O-N 2.64Å; A372-G376 CarbonylContact O-C 3.46Å; A372-G376 VanDerWaalsContact O-CA 3.23Å; A372-G376 WeakPolarHBondContact O-CA 3.43Å; A372-G376 PolarHBondContact O-N 3.31Å; A372-A377 HydrophobicContact CB-CB 3.72Å
373	C	95.9	Very high	96.8	Very high	44 Å²	44	47.5 Å²	47.5	30%	0.297	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-28.1	178.4	-58.5	0	0	0	0	112.4	C362 D370 R371 L381	C362-C373 HydrophobicContact CB-CB 3.76Å; C362-C373 WeakPolarHBondContact CB-SG 3.3Å; C362-C373 WeakPolarHBondContact SG-CB 3.21Å; C362-C373 CovalentContact SG-SG 2.02Å; C362-C373 PolarHBondContact SG-SG 3.29Å; D370-C373 WeakPolarHBondContact O-CB 3.32Å; D370-C373 PolarHBondContact O-N 3.26Å; R371-C373 PolarHBondContact O-N 3.26Å; C373-L381 WeakPolarHBondContact O-CD2 3.36Å
374	T	96.1	Very high	96.9	Very high	8 Å²	8	45.2 Å²	45.2	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-95.9	-34.5	178.4	-56.7	0	0	0	0	112.2	P354 Q358 R371 A372 K385	P354-T374 HydrophobicContact CB-CG2 4.47Å; P354-T374 HydrophobicContact CG-CG2 4.43Å; Q358-T374 HydrophobicContact CG-CG2 4.45Å; R371-T374 PolarHBondContact O-N 3.48Å; A372-T374 PolarHBondContact O-N 2.64Å; T374-K385 WeakPolarHBondContact O-CE 3.37Å; T374-K385 PolarHBondContact O-NZ 3.21Å
375	M	97	Very high	96.9	Very high	22 Å²	22	45.2 Å²	45.2	11%	0.108	21%	0.212	C	C	.	.	H	α-helix	trans	-103.8	-12.1	-172	-59.6	-56.8	-61.2	0	0	114.3	W104 L113 L117 R371 L382	W104-M375 HydrophobicContact CH2-CE 3.78Å; W104-M375 HydrophobicContact CH2-SD 3.89Å; W104-M375 HydrophobicContact CZ3-CE 4.17Å; W104-M375 HydrophobicContact CZ3-SD 3.85Å; L113-M375 HydrophobicContact CD2-CB 3.96Å; L113-M375 HydrophobicContact CD2-CE 4.06Å; L117-M375 HydrophobicContact CD1-CB 3.68Å; L117-M375 HydrophobicContact CD1-CG 4.38Å; R371-M375 HydrophobicContact CG-CG 3.76Å; R371-M375 WeakPolarHBondContact O-CB 3.48Å; R371-M375 PolarHBondContact O-N 3.17Å; M375-L382 HydrophobicContact CE-CD1 3.78Å
376	G	96.2	Very high	96.9	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.031	20%	0.203	C	C	.	.			trans	93.6	143.7	-175.7	0	0	0	0	0	113.9	A372	A372-G376 CarbonylContact O-C 3.46Å; A372-G376 VanDerWaalsContact O-CA 3.23Å; A372-G376 WeakPolarHBondContact O-CA 3.43Å; A372-G376 PolarHBondContact O-N 3.31Å
377	A	96.5	Very high	97.1	Very high	23 Å²	23	39.9 Å²	39.9	19%	0.19	19%	0.19	C	C	.	.	S	Bend	trans	-137.4	-79.3	168.6	0	0	0	0	0	109	V120 Y124 Q326 A372	V120-A377 HydrophobicContact CG1-CB 3.77Å; Y124-A377 WeakPolarHBondContact CD2-O 3.33Å; Q326-A377 PolarHBondContact NE2-O 3.48Å; A372-A377 HydrophobicContact CB-CB 3.72Å
378	Y	98.1	Very high	97.3	Very high	51 Å²	51	30.4 Å²	30.4	20%	0.2	15%	0.149	C	C	.	.	S	Bend	trans	-66.5	-53.2	175.8	173.7	-82.3	0	0	0	111.3	Y124 Y130 N328 P329	Y124-Y378 HydrophobicContact CD1-CD2 4.39Å; Y124-Y378 AromaticContact CE1-CD2 3.64Å; Y124-Y378 HydrophobicContact CE1-CD2 3.64Å; Y124-Y378 HydrophobicContact CE1-CE2 4.49Å; Y124-Y378 HydrophobicContact CE1-CG 4.35Å; Y124-Y378 AromaticContact CZ-CD2 3.96Å; Y130-Y378 HydrophobicContact CE2-CE2 4.41Å; Y130-Y378 WeakPolarHBondContact CE2-OH 3.49Å; Y130-Y378 PolarHBondContact OH-OH 2.78Å; N328-Y378 HydrophobicContact CB-CD1 4.18Å; N328-Y378 HydrophobicContact CB-CE1 3.92Å; N328-Y378 WeakPolarHBondContact CB-O 3.37Å; N328-Y378 WeakPolarHBondContact ND2-CD2 3.41Å; N328-Y378 WeakPolarHBondContact ND2-CE2 3.47Å; N328-Y378 VanDerWaalsContact ND2-CZ 3.3Å; P329-Y378 HydrophobicContact CG-CE1 4.34Å
379	H	98.5	Very high	97.5	Very high	49 Å²	49	27.3 Å²	27.3	23%	0.227	14%	0.135	C	C	.	.	S	Bend	trans	-78.9	153.2	178.6	-59.8	-68.1	0	0	0	111.6	W266 P329 P330 L381	W266-H379 AromaticContact CH2-CE1 3.99Å; P329-H379 PolarHBondContact O-ND1 3.3Å; P330-H379 PolarHBondContact O-ND1 3.43Å; H379-L381 HydrophobicContact CB-CB 4.47Å; H379-L381 PolarHBondContact O-N 3.46Å
380	P	98.4	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.			trans	-72.6	39.6	170.4	33.9	-36.5	0	0	0	113	L317 I325 L382 F383 E384	L317-P380 HydrophobicContact CD1-CG 4.48Å; I325-P380 HydrophobicContact CB-CB 3.95Å; I325-P380 HydrophobicContact CD1-CB 3.97Å; I325-P380 HydrophobicContact CD1-CG 4.23Å; I325-P380 HydrophobicContact CG1-CB 4.24Å; P380-L382 VanDerWaalsContact C-N 3.26Å; P380-L382 PolarHBondContact O-N 3.26Å; P380-L382 VanDerWaalsContact O-N 3.12Å; P380-F383 HydrophobicContact CB-CD2 3.96Å; P380-F383 WeakPolarHBondContact O-CB 3.29Å; P380-F383 PolarHBondContact O-N 3.21Å; P380-E384 PolarHBondContact O-N 3.08Å
381	L	98.6	Very high	97.7	Very high	19 Å²	19	20.2 Å²	20.2	10%	0.099	10%	0.101	C	C	.	.	H	α-helix	trans	-57.6	-33.1	-170	-173.8	64.5	0	0	0	113.8	F352 C373 H379 F383 E384 K385	F352-L381 HydrophobicContact CE2-CD1 3.72Å; F352-L381 HydrophobicContact CZ-CD1 3.8Å; C373-L381 WeakPolarHBondContact O-CD2 3.36Å; H379-L381 HydrophobicContact CB-CB 4.47Å; H379-L381 PolarHBondContact O-N 3.46Å; L381-F383 VanDerWaalsContact C-N 3.3Å; L381-F383 PolarHBondContact O-N 2.82Å; L381-E384 WeakPolarHBondContact CD1-OE2 3.43Å; L381-E384 PolarHBondContact O-N 3.06Å; L381-K385 VanDerWaalsContact O-CG 3.31Å; L381-K385 WeakPolarHBondContact O-CG 3.21Å; L381-K385 PolarHBondContact O-N 3.34Å
382	L	98.5	Very high	97.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-55.8	-47.2	172.9	-174.3	79.4	0	0	0	111.2	W104 L113 M375 P380 K385 N386	W104-L382 HydrophobicContact CH2-CD1 3.79Å; W104-L382 HydrophobicContact CZ2-CD1 3.57Å; W104-L382 HydrophobicContact CZ2-CG 4.33Å; L113-L382 HydrophobicContact CD1-CD2 4.45Å; L113-L382 HydrophobicContact CD2-CD1 4.05Å; L113-L382 HydrophobicContact CD2-CD2 4.34Å; L113-L382 HydrophobicContact CG-CD2 4.27Å; M375-L382 HydrophobicContact CE-CD1 3.78Å; P380-L382 VanDerWaalsContact C-N 3.26Å; P380-L382 PolarHBondContact O-N 3.26Å; P380-L382 VanDerWaalsContact O-N 3.12Å; L382-K385 PolarHBondContact O-N 3.07Å; L382-N386 VanDerWaalsContact O-CG 3.3Å; L382-N386 PolarHBondContact O-N 3.35Å; L382-N386 PolarHBondContact O-OD1 2.76Å
383	F	98.2	Very high	98	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-77	-32.4	-176.5	-51.5	-80.4	0	0	0	111.6	S321 E323 I325 P380 L381 K385 N386 L387	S321-F383 WeakPolarHBondContact OG-CD1 3.14Å; E323-F383 HydrophobicContact CG-CE1 3.84Å; E323-F383 HydrophobicContact CG-CZ 4.08Å; E323-F383 WeakPolarHBondContact OE1-CZ 3.33Å; I325-F383 HydrophobicContact CB-CD2 3.8Å; I325-F383 HydrophobicContact CB-CE2 3.98Å; I325-F383 HydrophobicContact CB-CG 4.32Å; I325-F383 HydrophobicContact CG2-CB 4.09Å; I325-F383 HydrophobicContact CG2-CD1 3.77Å; I325-F383 HydrophobicContact CG2-CD2 3.41Å; I325-F383 VanDerWaalsContact CG2-CD2 3.41Å; I325-F383 HydrophobicContact CG2-CE1 4.02Å; I325-F383 HydrophobicContact CG2-CE2 3.68Å; I325-F383 HydrophobicContact CG2-CG 3.46Å; I325-F383 VanDerWaalsContact CG2-CG 3.46Å; I325-F383 HydrophobicContact CG2-CZ 3.98Å; P380-F383 HydrophobicContact CB-CD2 3.96Å; P380-F383 WeakPolarHBondContact O-CB 3.29Å; P380-F383 PolarHBondContact O-N 3.21Å; L381-F383 VanDerWaalsContact C-N 3.3Å; L381-F383 PolarHBondContact O-N 2.82Å; F383-K385 VanDerWaalsContact C-N 3.33Å; F383-N386 WeakPolarHBondContact O-CB 3.44Å; F383-N386 PolarHBondContact O-N 3.41Å; F383-L387 PolarHBondContact O-N 2.93Å
384	E	98.8	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-45.7	169.6	-61.6	167.2	-153	0	0	110.9	L317 P330 S331 M334 F352 P380 L381 N386 L387 V388	L317-E384 HydrophobicContact CD1-CG 3.87Å; L317-E384 HydrophobicContact CD2-CG 4.18Å; P330-E384 VanDerWaalsContact CA-OE1 3.28Å; P330-E384 WeakPolarHBondContact CA-OE1 3.43Å; S331-E384 WeakPolarHBondContact CB-OE2 3.28Å; S331-E384 PolarHBondContact N-OE1 3.48Å; S331-E384 PolarHBondContact N-OE2 3.38Å; S331-E384 PolarHBondContact OG-OE2 3.35Å; M334-E384 HydrophobicContact CB-CB 4.17Å; M334-E384 HydrophobicContact CB-CG 3.89Å; M334-E384 VanDerWaalsContact CB-OE2 3.24Å; M334-E384 WeakPolarHBondContact CB-OE2 3.4Å; M334-E384 HydrophobicContact CG-CB 4.12Å; M334-E384 HydrophobicContact CG-CG 3.9Å; M334-E384 HydrophobicContact SD-CB 4.08Å; M334-E384 HydrophobicContact SD-CG 4.49Å; F352-E384 HydrophobicContact CE1-CB 4.39Å; F352-E384 HydrophobicContact CZ-CB 3.9Å; P380-E384 PolarHBondContact O-N 3.08Å; L381-E384 WeakPolarHBondContact CD1-OE2 3.43Å; L381-E384 PolarHBondContact O-N 3.06Å; E384-N386 PolarHBondContact O-N 3.37Å; E384-L387 PolarHBondContact O-N 3.27Å; E384-V388 WeakPolarHBondContact O-CG2 3.33Å; E384-V388 PolarHBondContact O-N 2.84Å
385	K	98.8	Very high	98.2	Very high	9 Å²	9	24.2 Å²	24.2	4%	0.039	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-36.7	176.7	-70.7	-178.9	-177.3	-153.4	0	112.7	W104 F352 L353 T374 L381 L382 F383 V388 K389	W104-K385 HydrophobicContact CD2-CB 4Å; W104-K385 HydrophobicContact CD2-CD 4.28Å; W104-K385 HydrophobicContact CE3-CD 4.06Å; W104-K385 HydrophobicContact CG-CB 4.5Å; W104-K385 HydrophobicContact CH2-CB 4.14Å; W104-K385 HydrophobicContact CH2-CD 3.46Å; W104-K385 VanDerWaalsContact CH2-CD 3.46Å; W104-K385 HydrophobicContact CH2-CG 4.43Å; W104-K385 HydrophobicContact CZ2-CB 3.46Å; W104-K385 VanDerWaalsContact CZ2-CB 3.46Å; W104-K385 HydrophobicContact CZ2-CD 3.72Å; W104-K385 HydrophobicContact CZ2-CG 4.21Å; W104-K385 HydrophobicContact CZ3-CD 3.66Å; F352-K385 HydrophobicContact CD1-CG 3.99Å; F352-K385 HydrophobicContact CE1-CB 4.36Å; F352-K385 HydrophobicContact CE1-CG 3.6Å; F352-K385 HydrophobicContact CZ-CG 4.11Å; F352-K385 WeakPolarHBondContact O-CE 3.38Å; F352-K385 PolarHBondContact O-NZ 3.02Å; L353-K385 HydrophobicContact CD2-CB 3.6Å; L353-K385 HydrophobicContact CD2-CD 4.42Å; L353-K385 HydrophobicContact CD2-CG 3.85Å; L353-K385 WeakPolarHBondContact CD2-O 3.45Å; T374-K385 WeakPolarHBondContact O-CE 3.37Å; T374-K385 PolarHBondContact O-NZ 3.21Å; L381-K385 VanDerWaalsContact O-CG 3.31Å; L381-K385 WeakPolarHBondContact O-CG 3.21Å; L381-K385 PolarHBondContact O-N 3.34Å; L382-K385 PolarHBondContact O-N 3.07Å; F383-K385 VanDerWaalsContact C-N 3.33Å; K385-V388 PolarHBondContact O-N 3.49Å; K385-K389 VanDerWaalsContact O-CB 3.28Å; K385-K389 WeakPolarHBondContact O-CB 3.33Å; K385-K389 PolarHBondContact O-N 3.21Å
386	N	98.6	Very high	98.2	Very high	11 Å²	11	27 Å²	27	6%	0.059	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-47.8	172.3	-70.2	-8.8	0	0	0	111.7	W104 D105 K106 S108 L382 F383 E384 K389 H390	W104-N386 PolarHBondContact NE1-OD1 3.3Å; D105-N386 PolarHBondContact O-OD1 2.99Å; D105-N386 VanDerWaalsContact O-OD1 3.13Å; K106-N386 VanDerWaalsContact O-CB 3.28Å; K106-N386 WeakPolarHBondContact O-CB 3.4Å; K106-N386 VanDerWaalsContact O-CG 3.26Å; S108-N386 WeakPolarHBondContact CB-OD1 3.34Å; S108-N386 PolarHBondContact O-ND2 3.14Å; L382-N386 VanDerWaalsContact O-CG 3.3Å; L382-N386 PolarHBondContact O-N 3.35Å; L382-N386 PolarHBondContact O-OD1 2.76Å; F383-N386 WeakPolarHBondContact O-CB 3.44Å; F383-N386 PolarHBondContact O-N 3.41Å; E384-N386 PolarHBondContact O-N 3.37Å; N386-K389 PolarHBondContact O-N 2.85Å; N386-H390 WeakPolarHBondContact O-CB 3.35Å; N386-H390 PolarHBondContact O-N 3.43Å
387	L	98.4	Very high	98.3	Very high	10 Å²	10	34 Å²	34	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-52.2	177.5	-178.9	154	0	0	0	110.1	L148 L152 I316 L317 M334 F383 E384 K389 H390 I391	L148-L387 HydrophobicContact CD1-CD1 4.33Å; L148-L387 HydrophobicContact CD2-CD1 4.14Å; L148-L387 HydrophobicContact CD2-CG 3.9Å; L152-L387 HydrophobicContact CD1-CD2 4.24Å; I316-L387 HydrophobicContact CG2-CD1 4.32Å; L317-L387 HydrophobicContact CD2-CB 4.1Å; L317-L387 HydrophobicContact CD2-CD1 3.71Å; L317-L387 HydrophobicContact CD2-CG 4.5Å; L317-L387 HydrophobicContact CG-CD1 4.46Å; M334-L387 HydrophobicContact CE-CD2 3.58Å; F383-L387 PolarHBondContact O-N 2.93Å; E384-L387 PolarHBondContact O-N 3.27Å; L387-K389 VanDerWaalsContact C-N 3.3Å; L387-K389 PolarHBondContact O-N 3.48Å; L387-H390 WeakPolarHBondContact O-CA 3.43Å; L387-H390 WeakPolarHBondContact O-CB 3.31Å; L387-H390 PolarHBondContact O-N 2.85Å; L387-I391 HydrophobicContact CD2-CD1 3.88Å; L387-I391 HydrophobicContact CD2-CG1 4.21Å; L387-I391 WeakPolarHBondContact O-CG1 3.36Å; L387-I391 PolarHBondContact O-N 3.24Å
388	V	98.8	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-41	178.7	169.3	0	0	0	0	111.9	M334 I337 F352 L353 E384 K385 H390 N392 V405 L407	M334-V388 HydrophobicContact CE-CG2 4.48Å; M334-V388 HydrophobicContact SD-CG2 3.83Å; I337-V388 HydrophobicContact CD1-CG2 3.93Å; F352-V388 HydrophobicContact CD1-CB 4.18Å; F352-V388 HydrophobicContact CD1-CG1 4.09Å; F352-V388 HydrophobicContact CD1-CG2 4.02Å; F352-V388 HydrophobicContact CE1-CB 4.07Å; F352-V388 HydrophobicContact CE1-CG1 4.48Å; F352-V388 HydrophobicContact CE1-CG2 3.65Å; L353-V388 HydrophobicContact CD1-CG1 4.41Å; L353-V388 HydrophobicContact CD2-CG1 4.35Å; L353-V388 HydrophobicContact CG-CG1 4.16Å; E384-V388 WeakPolarHBondContact O-CG2 3.33Å; E384-V388 PolarHBondContact O-N 2.84Å; K385-V388 PolarHBondContact O-N 3.49Å; V388-H390 VanDerWaalsContact C-N 3.31Å; V388-H390 PolarHBondContact O-N 2.87Å; V388-N392 WeakPolarHBondContact O-CB 3.25Å; V388-N392 PolarHBondContact O-N 2.85Å; V388-N392 VanDerWaalsContact O-N 3.12Å; V388-V405 HydrophobicContact CG1-CB 4.44Å; V388-V405 HydrophobicContact CG1-CG1 4.38Å; V388-V405 HydrophobicContact CG1-CG2 3.75Å; V388-L407 HydrophobicContact CG1-CD1 4.5Å
389	K	98.6	Very high	98.4	Very high	30 Å²	30	32.3 Å²	32.3	13%	0.13	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-36.6	175.3	-179.3	59.3	-176.5	152.9	0	112.1	W104 K106 L353 K385 N386 L387 D396 I399	W104-K389 WeakPolarHBondContact O-CE 3.01Å; K106-K389 HydrophobicContact CB-CB 4.07Å; K106-K389 HydrophobicContact CB-CG 3.75Å; L353-K389 HydrophobicContact CD1-CB 3.7Å; L353-K389 HydrophobicContact CD1-CD 3.73Å; L353-K389 HydrophobicContact CD1-CG 4.25Å; K385-K389 VanDerWaalsContact O-CB 3.28Å; K385-K389 WeakPolarHBondContact O-CB 3.33Å; K385-K389 PolarHBondContact O-N 3.21Å; N386-K389 PolarHBondContact O-N 2.85Å; L387-K389 VanDerWaalsContact C-N 3.3Å; L387-K389 PolarHBondContact O-N 3.48Å; K389-D396 IonicContact NZ-OD1 2.69Å; K389-D396 PolarHBondContact NZ-OD1 2.94Å; K389-I399 HydrophobicContact CD-CD1 3.79Å
390	H	98.1	Very high	98.4	Very high	30 Å²	30	34.2 Å²	34.2	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-70.9	-34.2	-178.8	-174.3	71.3	0	0	0	112.9	L143 P145 N386 L387 V388	L143-H390 PolarHBondContact O-NE2 2.83Å; P145-H390 WeakPolarHBondContact CG-O 3.38Å; N386-H390 WeakPolarHBondContact O-CB 3.35Å; N386-H390 PolarHBondContact O-N 3.43Å; L387-H390 WeakPolarHBondContact O-CA 3.43Å; L387-H390 WeakPolarHBondContact O-CB 3.31Å; L387-H390 PolarHBondContact O-N 2.85Å; V388-H390 VanDerWaalsContact C-N 3.31Å; V388-H390 PolarHBondContact O-N 2.87Å
391	I	98.3	Very high	98.4	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	-97.3	5	178.1	61.4	162.7	0	0	0	114.4	P145 L148 L149 L152 M341 L387 Q393 L407	P145-I391 HydrophobicContact CB-CG2 4.5Å; L148-I391 HydrophobicContact CB-CG2 4.31Å; L148-I391 HydrophobicContact CD2-CG2 3.91Å; L148-I391 HydrophobicContact CG-CG2 4.15Å; L149-I391 HydrophobicContact CD2-CB 4.21Å; L149-I391 HydrophobicContact CD2-CD1 3.95Å; L149-I391 HydrophobicContact CD2-CG2 4.35Å; L149-I391 HydrophobicContact CG-CB 4.35Å; L149-I391 HydrophobicContact CG-CG2 4.15Å; L152-I391 HydrophobicContact CD1-CD1 4.25Å; M341-I391 HydrophobicContact CE-CD1 4.28Å; L387-I391 HydrophobicContact CD2-CD1 3.88Å; L387-I391 HydrophobicContact CD2-CG1 4.21Å; L387-I391 WeakPolarHBondContact O-CG1 3.36Å; L387-I391 PolarHBondContact O-N 3.24Å; I391-Q393 PolarHBondContact O-N 3.33Å; I391-L407 HydrophobicContact CB-CD2 4.5Å; I391-L407 HydrophobicContact CD1-CD1 4.44Å; I391-L407 HydrophobicContact CD1-CD2 3.88Å; I391-L407 HydrophobicContact CG1-CD2 3.7Å
392	N	98.7	Very high	98.4	Very high	23 Å²	23	38 Å²	38	12%	0.123	19%	0.189	C	C	.	.			trans	-70	128.4	178.8	167.6	65.7	0	0	0	112	V388 G394 V405 T406	V388-N392 WeakPolarHBondContact O-CB 3.25Å; V388-N392 PolarHBondContact O-N 2.85Å; V388-N392 VanDerWaalsContact O-N 3.12Å; N392-G394 PolarHBondContact ND2-O 2.86Å; N392-G394 PolarHBondContact OD1-N 3.46Å; N392-G394 VanDerWaalsContact OD1-N 3.08Å; N392-V405 HydrophobicContact CB-CB 4.21Å; N392-V405 HydrophobicContact CB-CG1 4.17Å; N392-V405 VanDerWaalsContact OD1-CA 3.26Å; N392-V405 WeakPolarHBondContact OD1-CA 3.38Å; N392-V405 VanDerWaalsContact OD1-CB 3.23Å; N392-V405 WeakPolarHBondContact OD1-CB 3.48Å; N392-T406 PolarHBondContact OD1-N 3.04Å; N392-T406 PolarHBondContact OD1-O 3.49Å
393	Q	98.4	Very high	98.4	Very high	125 Å²	125	38 Å²	38	58%	0.584	19%	0.189	S	C	*	.			trans	-94.9	-11.9	175.7	-65.5	179.3	-29.8	0	0	113.3	I391 T406	I391-Q393 PolarHBondContact O-N 3.33Å; Q393-T406 PolarHBondContact N-O 3.47Å
394	G	98	Very high	98.4	Very high	19 Å²	19	39.1 Å²	39.1	20%	0.196	19%	0.194	C	C	.	.	S	Bend	trans	-78.5	176.6	175.6	0	0	0	0	0	113.7	N392	N392-G394 PolarHBondContact ND2-O 2.86Å; N392-G394 PolarHBondContact OD1-N 3.46Å; N392-G394 VanDerWaalsContact OD1-N 3.08Å
395	T	98.1	Very high	98.4	Very high	74 Å²	74	39.1 Å²	39.1	45%	0.454	19%	0.194	S	C	.	.			trans	-89.2	158.8	-176.9	71.6	0	0	0	0	113.4	K397 D398 I399	T395-K397 PolarHBondContact O-N 2.88Å; T395-K397 PolarHBondContact OG1-N 3.39Å; T395-D398 WeakPolarHBondContact CB-OD2 3.13Å; T395-D398 PolarHBondContact N-OD2 3.39Å; T395-D398 VanDerWaalsContact N-OD2 3.08Å; T395-D398 WeakPolarHBondContact O-CB 3.29Å; T395-D398 PolarHBondContact O-N 2.9Å; T395-D398 VanDerWaalsContact O-N 3.1Å; T395-D398 PolarHBondContact OG1-N 3.38Å; T395-D398 VanDerWaalsContact OG1-N 3.14Å; T395-D398 PolarHBondContact OG1-OD2 2.93Å; T395-I399 PolarHBondContact O-N 3.46Å
396	D	98.3	Very high	98.4	Very high	80 Å²	80	39.5 Å²	39.5	43%	0.428	20%	0.197	S	C	.	.	H	α-helix	trans	-60	-31	169.7	-73.4	-8.6	0	0	0	112.1	V103 K389 D398 I399 Y400	V103-D396 HydrophobicContact CG1-CB 4.05Å; V103-D396 VanDerWaalsContact CG1-O 3.24Å; V103-D396 WeakPolarHBondContact CG1-O 3.42Å; V103-D396 HydrophobicContact CG2-CB 4.1Å; K389-D396 IonicContact NZ-OD1 2.69Å; K389-D396 PolarHBondContact NZ-OD1 2.94Å; D396-D398 VanDerWaalsContact C-N 3.33Å; D396-D398 PolarHBondContact O-N 2.92Å; D396-I399 PolarHBondContact O-N 2.96Å; D396-Y400 WeakPolarHBondContact O-CB 3.46Å; D396-Y400 PolarHBondContact O-N 3.37Å
397	K	98	Very high	98.5	Very high	149 Å²	149	39 Å²	39	65%	0.648	19%	0.194	S	C	*	.	H	α-helix	trans	-63	-41.3	174.9	-172.2	177.5	179.2	-178.4	0	111	T395 Y400 T401	T395-K397 PolarHBondContact O-N 2.88Å; T395-K397 PolarHBondContact OG1-N 3.39Å; K397-Y400 PolarHBondContact O-N 3.29Å; K397-T401 HydrophobicContact CG-CG2 4.22Å; K397-T401 WeakPolarHBondContact O-CB 3.33Å; K397-T401 WeakPolarHBondContact O-CG2 3.44Å; K397-T401 PolarHBondContact O-N 3.03Å; K397-T401 PolarHBondContact O-OG1 3.32Å
398	D	98.4	Very high	98.5	Very high	40 Å²	40	38.9 Å²	38.9	21%	0.214	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-41.3	178.1	-61.5	-45.7	0	0	0	111.9	T395 D396 H402 G403 K404	T395-D398 WeakPolarHBondContact CB-OD2 3.13Å; T395-D398 PolarHBondContact N-OD2 3.39Å; T395-D398 VanDerWaalsContact N-OD2 3.08Å; T395-D398 WeakPolarHBondContact O-CB 3.29Å; T395-D398 PolarHBondContact O-N 2.9Å; T395-D398 VanDerWaalsContact O-N 3.1Å; T395-D398 PolarHBondContact OG1-N 3.38Å; T395-D398 VanDerWaalsContact OG1-N 3.14Å; T395-D398 PolarHBondContact OG1-OD2 2.93Å; D396-D398 VanDerWaalsContact C-N 3.33Å; D396-D398 PolarHBondContact O-N 2.92Å; D398-H402 WeakPolarHBondContact O-CA 3.48Å; D398-H402 WeakPolarHBondContact O-CB 3.32Å; D398-H402 PolarHBondContact O-N 3.48Å; D398-G403 PolarHBondContact O-N 2.88Å; D398-K404 CarbonylContact C-O 3.59Å; D398-K404 PolarHBondContact O-N 3.37Å
399	I	98.8	Very high	98.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-51.6	174.5	-62.3	166.6	0	0	0	109.7	V103 L353 S355 K389 T395 D396 T401 G403 K404 V405	V103-I399 HydrophobicContact CB-CB 4.37Å; V103-I399 HydrophobicContact CB-CG2 3.99Å; V103-I399 HydrophobicContact CG1-CB 3.96Å; V103-I399 HydrophobicContact CG1-CG2 3.94Å; L353-I399 HydrophobicContact CB-CG2 4.05Å; L353-I399 HydrophobicContact CD1-CD1 4.03Å; S355-I399 VanDerWaalsContact CA-O 3.26Å; S355-I399 WeakPolarHBondContact CA-O 3.27Å; S355-I399 WeakPolarHBondContact CB-O 3.35Å; K389-I399 HydrophobicContact CD-CD1 3.79Å; T395-I399 PolarHBondContact O-N 3.46Å; D396-I399 PolarHBondContact O-N 2.96Å; I399-T401 PolarHBondContact O-N 3.33Å; I399-G403 WeakPolarHBondContact O-CA 3.37Å; I399-G403 PolarHBondContact O-N 3Å; I399-K404 WeakPolarHBondContact CG1-O 3.33Å; I399-K404 PolarHBondContact N-O 3.06Å; I399-V405 HydrophobicContact CD1-CG1 4.04Å; I399-V405 HydrophobicContact CG1-CG1 3.83Å
400	Y	98.6	Very high	98.4	Very high	89 Å²	89	38.3 Å²	38.3	35%	0.349	19%	0.192	S	C	.	.	H	α-helix	trans	-63.9	-39.7	-176.6	178.5	-104.2	0	0	0	113.7	V101 S355 K356 D396 K397	V101-Y400 HydrophobicContact CB-CG 4.42Å; V101-Y400 HydrophobicContact CG1-CD1 3.46Å; V101-Y400 VanDerWaalsContact CG1-CD1 3.46Å; V101-Y400 HydrophobicContact CG1-CD2 3.12Å; V101-Y400 HydrophobicContact CG1-CE1 4.03Å; V101-Y400 HydrophobicContact CG1-CE2 3.73Å; V101-Y400 HydrophobicContact CG1-CG 2.96Å; S355-Y400 WeakPolarHBondContact CB-O 3.24Å; K356-Y400 HydrophobicContact CB-CD1 4.42Å; K356-Y400 HydrophobicContact CB-CD2 3.87Å; K356-Y400 HydrophobicContact CB-CE1 4.12Å; K356-Y400 HydrophobicContact CB-CE2 3.54Å; K356-Y400 HydrophobicContact CB-CG 4.3Å; K356-Y400 WeakPolarHBondContact CB-O 3.33Å; K356-Y400 HydrophobicContact CD-CD1 4.3Å; K356-Y400 HydrophobicContact CD-CE1 3.81Å; K356-Y400 WeakPolarHBondContact CG-O 3.33Å; K356-Y400 PolarHBondContact N-O 2.94Å; D396-Y400 WeakPolarHBondContact O-CB 3.46Å; D396-Y400 PolarHBondContact O-N 3.37Å; K397-Y400 PolarHBondContact O-N 3.29Å
401	T	98	Very high	98.3	Very high	32 Å²	32	41.7 Å²	41.7	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-85.4	-44.2	-174.5	52	0	0	0	0	112.6	R357 K397 I399	R357-T401 PolarHBondContact NH1-O 3.37Å; R357-T401 PolarHBondContact NH2-O 2.99Å; K397-T401 HydrophobicContact CG-CG2 4.22Å; K397-T401 WeakPolarHBondContact O-CB 3.33Å; K397-T401 WeakPolarHBondContact O-CG2 3.44Å; K397-T401 PolarHBondContact O-N 3.03Å; K397-T401 PolarHBondContact O-OG1 3.32Å; I399-T401 PolarHBondContact O-N 3.33Å
402	H	98.4	Very high	98.1	Very high	67 Å²	67	45.3 Å²	45.3	31%	0.31	22%	0.223	S	C	.	.	H	α-helix	trans	-113.9	-9.3	-171.1	-54.9	107.7	0	0	0	113.1	L206 R357 D398 K404	L206-H402 WeakPolarHBondContact CD1-O 3.49Å; L206-H402 HydrophobicContact CD2-CB 3.92Å; R357-H402 PolarHBondContact NH2-O 3.46Å; D398-H402 WeakPolarHBondContact O-CA 3.48Å; D398-H402 WeakPolarHBondContact O-CB 3.32Å; D398-H402 PolarHBondContact O-N 3.48Å; H402-K404 HydrophobicContact CB-CB 3.9Å; H402-K404 PolarHBondContact O-N 3.32Å
403	G	98.7	Very high	98	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.			trans	64.2	23.7	-171.1	0	0	0	0	0	111.2	Y350 E351 D398 I399	Y350-G403 CarbonylContact C-O 3.59Å; E351-G403 PolarHBondContact N-O 3.46Å; D398-G403 PolarHBondContact O-N 2.88Å; I399-G403 WeakPolarHBondContact O-CA 3.37Å; I399-G403 PolarHBondContact O-N 3Å
404	K	98.8	Very high	97.8	Very high	29 Å²	29	47 Å²	47	13%	0.126	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.6	-172.5	-179.8	172.6	66.3	-176	0	110.4	E209 H348 V349 Y350 D398 I399 H402	E209-K404 VanDerWaalsContact OE1-CD 3.29Å; E209-K404 WeakPolarHBondContact OE1-CD 3.31Å; E209-K404 IonicContact OE1-NZ 3.19Å; E209-K404 PolarHBondContact OE1-NZ 3.47Å; H348-K404 HydrophobicContact CB-CD 4.36Å; H348-K404 HydrophobicContact CB-CG 4.49Å; V349-K404 WeakPolarHBondContact O-CA 3.37Å; Y350-K404 HydrophobicContact CD1-CB 4.19Å; Y350-K404 HydrophobicContact CD1-CG 4.41Å; Y350-K404 HydrophobicContact CE1-CB 4.1Å; Y350-K404 HydrophobicContact CE1-CD 3.74Å; Y350-K404 HydrophobicContact CE1-CG 4.01Å; D398-K404 CarbonylContact C-O 3.59Å; D398-K404 PolarHBondContact O-N 3.37Å; I399-K404 WeakPolarHBondContact CG1-O 3.33Å; I399-K404 PolarHBondContact N-O 3.06Å; H402-K404 HydrophobicContact CB-CB 3.9Å; H402-K404 PolarHBondContact O-N 3.32Å
405	V	98.7	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152.6	161.9	-65.2	0	0	0	0	109.9	H348 V349 L353 V388 N392 I399	H348-V405 CarbonylContact C-O 3.59Å; H348-V405 WeakPolarHBondContact CA-O 3.33Å; V349-V405 HydrophobicContact CB-CG2 3.5Å; V349-V405 VanDerWaalsContact CB-CG2 3.5Å; V349-V405 HydrophobicContact CG1-CG2 4.48Å; V349-V405 HydrophobicContact CG2-CG2 3.93Å; V349-V405 PolarHBondContact N-O 3.37Å; V349-V405 PolarHBondContact O-N 3.32Å; L353-V405 HydrophobicContact CB-CG1 4.17Å; L353-V405 HydrophobicContact CD1-CG1 3.41Å; L353-V405 VanDerWaalsContact CD1-CG1 3.41Å; L353-V405 HydrophobicContact CG-CG1 3.77Å; V388-V405 HydrophobicContact CG1-CB 4.44Å; V388-V405 HydrophobicContact CG1-CG1 4.38Å; V388-V405 HydrophobicContact CG1-CG2 3.75Å; N392-V405 HydrophobicContact CB-CB 4.21Å; N392-V405 HydrophobicContact CB-CG1 4.17Å; N392-V405 VanDerWaalsContact OD1-CA 3.26Å; N392-V405 WeakPolarHBondContact OD1-CA 3.38Å; N392-V405 VanDerWaalsContact OD1-CB 3.23Å; N392-V405 WeakPolarHBondContact OD1-CB 3.48Å; I399-V405 HydrophobicContact CD1-CG1 4.04Å; I399-V405 HydrophobicContact CG1-CG1 3.83Å
406	T	98.9	Very high	97.5	Very high	17 Å²	17	50.4 Å²	50.4	10%	0.104	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.2	178.4	-57.1	0	0	0	0	108.2	E346 N392 Q393	E346-T406 HydrophobicContact CG-CG2 3.78Å; N392-T406 PolarHBondContact OD1-N 3.04Å; N392-T406 PolarHBondContact OD1-O 3.49Å; Q393-T406 PolarHBondContact N-O 3.47Å
407	L	98.9	Very high	97.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.8	-178.1	-57.9	178.6	0	0	0	109.6	I337 M341 V347 V349 V388 I391	I337-L407 HydrophobicContact CG2-CD1 3.47Å; I337-L407 VanDerWaalsContact CG2-CD1 3.47Å; M341-L407 HydrophobicContact CE-CB 4.4Å; M341-L407 HydrophobicContact CG-CB 4.48Å; M341-L407 HydrophobicContact SD-CB 4.32Å; M341-L407 HydrophobicContact SD-CD1 4.07Å; V347-L407 HydrophobicContact CB-CB 4.46Å; V347-L407 PolarHBondContact N-O 3.42Å; V347-L407 PolarHBondContact O-N 3.3Å; V349-L407 HydrophobicContact CG2-CD1 3.93Å; V388-L407 HydrophobicContact CG1-CD1 4.5Å; I391-L407 HydrophobicContact CB-CD2 4.5Å; I391-L407 HydrophobicContact CD1-CD1 4.44Å; I391-L407 HydrophobicContact CD1-CD2 3.88Å; I391-L407 HydrophobicContact CG1-CD2 3.7Å
408	P	98.6	Very high	97.4	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	143.5	175.2	31	-33.6	0	0	0	110.2	L149 M341 V413	L149-P408 HydrophobicContact CD1-CG 3.73Å; L149-P408 HydrophobicContact CD2-CG 4.01Å; M341-P408 WeakPolarHBondContact CE-O 3.39Å; P408-V413 HydrophobicContact CG-CG2 4.32Å
409	G	98.3	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.			trans	-61.9	146.2	162	0	0	0	0	0	111.7	M341 C344 D345 R411 N412	M341-G409 CarbonylContact O-C 3.51Å; M341-G409 WeakPolarHBondContact O-CA 3.35Å; C344-G409 WeakPolarHBondContact O-CA 3.35Å; D345-G409 WeakPolarHBondContact O-CA 3.49Å; D345-G409 PolarHBondContact O-N 2.92Å; G409-R411 PolarHBondContact O-N 2.92Å; G409-R411 VanDerWaalsContact O-N 3.11Å; G409-N412 PolarHBondContact O-N 3.4Å
410	F	97.8	Very high	97.3	Very high	17 Å²	17	46.1 Å²	46.1	8%	0.075	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24.6	178.1	-70.7	-38.6	0	0	0	113.4	L152 R153 V338 M341 N412 V413	L152-F410 HydrophobicContact CB-CE1 3.79Å; L152-F410 HydrophobicContact CB-CZ 3.87Å; R153-F410 HydrophobicContact CB-CB 4.37Å; R153-F410 HydrophobicContact CB-CD1 3.75Å; R153-F410 HydrophobicContact CB-CE1 4.22Å; R153-F410 HydrophobicContact CB-CG 4.06Å; R153-F410 HydrophobicContact CG-CB 3.99Å; R153-F410 HydrophobicContact CG-CD1 4.32Å; R153-F410 HydrophobicContact CG-CG 4.17Å; V338-F410 HydrophobicContact CG1-CE2 3.92Å; V338-F410 HydrophobicContact CG1-CZ 4.04Å; M341-F410 HydrophobicContact CB-CD1 4.46Å; M341-F410 HydrophobicContact CB-CD2 4.04Å; M341-F410 HydrophobicContact CB-CE1 4.29Å; M341-F410 HydrophobicContact CB-CE2 3.85Å; M341-F410 HydrophobicContact CB-CG 4.32Å; M341-F410 HydrophobicContact CB-CZ 3.97Å; M341-F410 HydrophobicContact CE-CD1 4.17Å; M341-F410 HydrophobicContact CE-CE1 3.64Å; M341-F410 HydrophobicContact CE-CZ 4.14Å; M341-F410 PolarHBondContact O-N 3.33Å; M341-F410 HydrophobicContact SD-CE1 4.45Å; M341-F410 HydrophobicContact SD-CZ 4.37Å; F410-N412 PolarHBondContact O-N 3.04Å; F410-V413 HydrophobicContact CD1-CG2 4.32Å; F410-V413 PolarHBondContact O-N 3.42Å
411	R	95.3	Very high	97.2	Very high	101 Å²	101	43.3 Å²	43.3	38%	0.381	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-64.8	-22	174.5	-66.5	-172.7	-87.3	121.1	-0.5	113	R188 L189 L343 D345 G409	R188-R411 VanDerWaalsContact CG-NH1 3.33Å; R188-R411 VanDerWaalsContact NE-NH1 3.1Å; L189-R411 PolarHBondContact O-NH2 3.35Å; L343-R411 VanDerWaalsContact C-NH2 3.32Å; L343-R411 PolarHBondContact O-NH2 3.23Å; D345-R411 IonicContact OD1-CZ 3.65Å; D345-R411 IonicContact OD1-NE 2.66Å; D345-R411 IonicContact OD1-NH1 2.68Å; D345-R411 PolarHBondContact OD1-NH1 3.5Å; D345-R411 IonicContact OD1-NH2 3.8Å; D345-R411 PolarHBondContact OD1-NH2 3.18Å; D345-R411 IonicContact OD2-NH1 2.74Å; G409-R411 PolarHBondContact O-N 2.92Å; G409-R411 VanDerWaalsContact O-N 3.11Å
412	N	95.3	Very high	97.1	Very high	80 Å²	80	44.1 Å²	44.1	43%	0.428	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-103.7	6	178.1	-63.9	-32.8	0	0	0	112.9	D345 G409 F410	D345-N412 WeakPolarHBondContact CB-ND2 3.49Å; D345-N412 PolarHBondContact O-ND2 3.1Å; G409-N412 PolarHBondContact O-N 3.4Å; F410-N412 PolarHBondContact O-N 3.04Å
413	V	96.1	Very high	97	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.073	22%	0.216	C	C	.	.			trans	-90.3	123.9	179	174.5	0	0	0	0	109.9	L149 R153 P408 F410	L149-V413 HydrophobicContact CB-CG1 3.78Å; L149-V413 HydrophobicContact CB-CG2 4.05Å; L149-V413 HydrophobicContact CD1-CG2 4.45Å; L149-V413 HydrophobicContact CD2-CG2 4.44Å; R153-V413 PolarHBondContact NH1-O 3.41Å; P408-V413 HydrophobicContact CG-CG2 4.32Å; F410-V413 HydrophobicContact CD1-CG2 4.32Å; F410-V413 PolarHBondContact O-N 3.42Å
414	H	93.9	Very high	96.9	Very high	172 Å²	172	45.8 Å²	45.8	80%	0.796	23%	0.234	S	C	*	.			trans	-98.9	121.9	178.3	-62.2	-61.9	0	0	0	111.7	C150	C150-H414 PolarHBondContact SG-O 3.46Å
415	C	92.4	Very high	96.7	Very high	113 Å²	113	47.4 Å²	47.4	76%	0.764	24%	0.244	S	C	*	.			trans	-138.5	0	170.9	-30.7	0	0	0	0	104.9	C150 R153	C150-C415 WeakPolarHBondContact CA-SG 3.32Å; C150-C415 HydrophobicContact CB-CB 3.78Å; C150-C415 WeakPolarHBondContact CB-SG 3.39Å; C150-C415 WeakPolarHBondContact SG-CB 3.28Å; C150-C415 CovalentContact SG-SG 2.01Å; C150-C415 PolarHBondContact SG-SG 3.33Å; R153-C415 PolarHBondContact NH1-SG 3.06Å; R153-C415 VanDerWaalsContact NH2-CB 3.28Å; R153-C415 PolarHBondContact NH2-SG 3.41Å

Retrieved 415 of 415 residues in 245.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).