A0A087WWI4_HUMAN Loading...

Hypoxia up-regulated protein 1

AlphaFold DB , UniProt , Accession A0A087WWI4, Species HUMAN (Homo sapiens, Human), Gene HYOU1, Length 677 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	46	Very low	49	Very low	253 Å²	253	182 Å²	182	100%	1.246	85%	0.852	S	S	*	*				0	108.6	0	-78.1	178.8	167.2	0	0	109
2	A	45.2	Very low	49.6	Very low	105 Å²	105	183.3 Å²	183.3	87%	0.868	84%	0.843	S	S	*	*			trans	-152.9	51.9	-173.8	0	0	0	0	0	113.6
3	D	48.1	Very low	50.6	Low	155 Å²	155	185.2 Å²	185.2	83%	0.829	84%	0.839	S	S	*	*			trans	-149.3	38.1	-172.9	-147.6	-1.3	0	0	0	116.1
4	K	45.3	Very low	52.2	Low	206 Å²	206	178.1 Å²	178.1	90%	0.896	82%	0.816	S	S	*	*	S	Bend	trans	-124.7	-0.5	-179.7	-103.9	-177.1	177.8	179.7	0	117
5	V	50.3	Low	53.7	Low	139 Å²	139	171.1 Å²	171.1	84%	0.842	80%	0.795	S	S	*	*	S	Bend	trans	-95.6	-17.4	-172.6	-174.6	0	0	0	0	113.7	R7	V5-R7 PolarHBondContact O-N 3.45Å
6	R	48.4	Very low	55.4	Low	229 Å²	229	171.9 Å²	171.9	86%	0.864	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-10	-165.1	-130.8	176.1	-173.9	-172.9	0.7	116.6
7	R	48.7	Very low	56.8	Low	239 Å²	239	165.2 Å²	165.2	90%	0.902	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-10.5	-169.5	-78.3	-171.5	175	-170.2	-1.4	117.7	V5	V5-R7 PolarHBondContact O-N 3.45Å
8	Q	49.1	Very low	58.2	Low	174 Å²	174	161.6 Å²	161.6	81%	0.813	76%	0.756	S	S	*	*	S	Bend	trans	-89.7	-12.3	-177.2	-76.4	-171.5	-11.3	0	0	115.9	P10	Q8-P10 VanDerWaalsContact C-CD 3.49Å
9	R	51.1	Low	59.5	Low	209 Å²	209	156.6 Å²	156.6	79%	0.789	74%	0.738	S	S	*	*	H	α-helix	trans	-64.7	-34	-175.4	-69	-171.1	177.4	-164.4	-1.6	117
10	P	52.2	Low	60.5	Low	81 Å²	81	151.7 Å²	151.7	53%	0.526	73%	0.725	S	S	.	*	H	α-helix	trans	-70.9	-40.6	-175.3	25.7	-32.5	0	0	0	113	Q8 R12 R13 V14	Q8-P10 VanDerWaalsContact C-CD 3.49Å; P10-R12 VanDerWaalsContact C-N 3.34Å; P10-R12 PolarHBondContact O-N 3.03Å; P10-R13 PolarHBondContact O-N 3.06Å; P10-V14 PolarHBondContact O-N 3.31Å
11	R	55	Low	61.4	Low	212 Å²	212	148.3 Å²	148.3	80%	0.8	71%	0.714	S	S	*	*	H	α-helix	trans	-56.3	-44.3	-179.5	-83.8	-174.4	170	178.4	-4.1	112.5	R13 V14 C15	R11-R13 VanDerWaalsContact C-N 3.34Å; R11-R13 PolarHBondContact O-N 2.92Å; R11-V14 PolarHBondContact O-N 3.38Å; R11-C15 PolarHBondContact O-N 3.05Å; R11-C15 PolarHBondContact O-SG 3.48Å
12	R	56.3	Low	62.8	Low	198 Å²	198	141 Å²	141	75%	0.747	68%	0.68	S	S	*	*	H	α-helix	trans	-60.3	-39.5	176.5	-103.3	-174.3	173.1	-170.4	-2.1	112.8	P10 W16	P10-R12 VanDerWaalsContact C-N 3.34Å; P10-R12 PolarHBondContact O-N 3.03Å; R12-W16 PolarHBondContact O-N 3.29Å
13	R	62.4	Low	64	Low	208 Å²	208	140.9 Å²	140.9	79%	0.785	66%	0.664	S	S	*	*	H	α-helix	trans	-68.6	-39.5	177	-74.9	-172.5	170.5	-169.4	-5.2	112.4	P10 R11 W16 A17	P10-R13 PolarHBondContact O-N 3.06Å; R11-R13 VanDerWaalsContact C-N 3.34Å; R11-R13 PolarHBondContact O-N 2.92Å; R13-W16 PolarHBondContact O-N 3.26Å; R13-A17 WeakPolarHBondContact O-CB 3.47Å; R13-A17 PolarHBondContact O-N 2.89Å
14	V	72.7	Confident	64.8	Low	85 Å²	85	136.1 Å²	136.1	52%	0.515	65%	0.646	S	S	.	*	H	α-helix	trans	-65.3	-41.2	175.2	175.6	0	0	0	0	111.3	P10 R11 A17 L18	P10-V14 PolarHBondContact O-N 3.31Å; R11-V14 PolarHBondContact O-N 3.38Å; V14-A17 PolarHBondContact O-N 3.4Å; V14-L18 HydrophobicContact CG1-CD1 4.01Å; V14-L18 WeakPolarHBondContact O-CB 3.44Å; V14-L18 PolarHBondContact O-N 3.34Å
15	C	74.4	Confident	65.5	Low	74 Å²	74	130.3 Å²	130.3	50%	0.5	63%	0.625	S	S	.	*	H	α-helix	trans	-62.6	-44.1	173.9	-65.9	0	0	0	0	112.5	R11 A17 L18 V19	R11-C15 PolarHBondContact O-N 3.05Å; R11-C15 PolarHBondContact O-SG 3.48Å; C15-A17 VanDerWaalsContact C-N 3.34Å; C15-A17 PolarHBondContact O-N 2.93Å; C15-L18 PolarHBondContact O-N 2.87Å; C15-V19 WeakPolarHBondContact O-CB 3.25Å; C15-V19 VanDerWaalsContact O-CG2 3.31Å; C15-V19 WeakPolarHBondContact O-CG2 3.37Å; C15-V19 PolarHBondContact O-N 2.94Å
16	W	81.4	Confident	65.8	Low	184 Å²	184	129.2 Å²	129.2	70%	0.697	61%	0.613	S	S	*	*	H	α-helix	trans	-65.4	-35.2	175.7	-78.9	116.2	0	0	0	112.9	R12 R13 A20	R12-W16 PolarHBondContact O-N 3.29Å; R13-W16 PolarHBondContact O-N 3.26Å; W16-A20 VanDerWaalsContact O-CB 3.3Å; W16-A20 WeakPolarHBondContact O-CB 3.31Å; W16-A20 PolarHBondContact O-N 2.86Å
17	A	79.4	Confident	66.1	Low	57 Å²	57	124.6 Å²	124.6	47%	0.471	61%	0.605	S	S	.	*	H	α-helix	trans	-66.5	-44.8	173.3	0	0	0	0	0	111.9	R13 V14 C15 A20 V21	R13-A17 WeakPolarHBondContact O-CB 3.47Å; R13-A17 PolarHBondContact O-N 2.89Å; V14-A17 PolarHBondContact O-N 3.4Å; C15-A17 VanDerWaalsContact C-N 3.34Å; C15-A17 PolarHBondContact O-N 2.93Å; A17-A20 PolarHBondContact O-N 3.42Å; A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 3.27Å
18	L	81.1	Confident	66.2	Low	100 Å²	100	117 Å²	117	52%	0.524	59%	0.594	S	S	.	*	H	α-helix	trans	-62.6	-41.3	174.9	-81.6	164.1	0	0	0	112.3	V14 C15 V21 L22	V14-L18 HydrophobicContact CG1-CD1 4.01Å; V14-L18 WeakPolarHBondContact O-CB 3.44Å; V14-L18 PolarHBondContact O-N 3.34Å; C15-L18 PolarHBondContact O-N 2.87Å; L18-V21 PolarHBondContact O-N 3.36Å; L18-L22 WeakPolarHBondContact O-CB 3.3Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.28Å; L18-L22 PolarHBondContact O-N 3Å
19	V	84.4	Confident	66.2	Low	67 Å²	67	115.1 Å²	115.1	41%	0.406	59%	0.589	S	S	.	*	H	α-helix	trans	-66.1	-37.4	175.1	168.2	0	0	0	0	111.4	C15 L23	C15-V19 WeakPolarHBondContact O-CB 3.25Å; C15-V19 VanDerWaalsContact O-CG2 3.31Å; C15-V19 WeakPolarHBondContact O-CG2 3.37Å; C15-V19 PolarHBondContact O-N 2.94Å; V19-L23 HydrophobicContact CG1-CD1 3.9Å; V19-L23 VanDerWaalsContact O-CB 3.31Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.04Å
20	A	79.2	Confident	66.3	Low	59 Å²	59	108.7 Å²	108.7	49%	0.488	58%	0.575	S	S	.	*	H	α-helix	trans	-68.4	-39.3	175.1	0	0	0	0	0	112.7	W16 A17 L23 A24	W16-A20 VanDerWaalsContact O-CB 3.3Å; W16-A20 WeakPolarHBondContact O-CB 3.31Å; W16-A20 PolarHBondContact O-N 2.86Å; A17-A20 PolarHBondContact O-N 3.42Å; A20-L23 PolarHBondContact O-N 2.89Å; A20-A24 WeakPolarHBondContact O-CB 3.42Å; A20-A24 PolarHBondContact O-N 2.95Å
21	V	78.8	Confident	66.7	Low	81 Å²	81	111.3 Å²	111.3	49%	0.491	59%	0.585	S	S	.	*	H	α-helix	trans	-64.7	-49.9	172.9	170.2	0	0	0	0	110.4	A17 L18 L23 A24 D25	A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 3.27Å; L18-V21 PolarHBondContact O-N 3.36Å; V21-L23 VanDerWaalsContact C-N 3.28Å; V21-L23 PolarHBondContact O-N 3.5Å; V21-A24 CarbonylContact O-C 3.59Å; V21-A24 WeakPolarHBondContact O-CB 3.35Å; V21-A24 PolarHBondContact O-N 2.9Å; V21-D25 WeakPolarHBondContact CG1-OD2 3.43Å; V21-D25 PolarHBondContact O-N 3.46Å
22	L	75.2	Confident	67.5	Low	100 Å²	100	103 Å²	103	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-61.2	-33.7	177.4	-72.6	166.9	0	0	0	113	L18 L26	L18-L22 WeakPolarHBondContact O-CB 3.3Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.28Å; L18-L22 PolarHBondContact O-N 3Å; L22-L26 WeakPolarHBondContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CD1 3.28Å; L22-L26 PolarHBondContact O-N 2.81Å
23	L	70.3	Confident	68.9	Low	101 Å²	101	96.9 Å²	96.9	53%	0.529	54%	0.54	S	S	.	.	H	α-helix	trans	-71.6	-37.5	172.5	-82.2	165	0	0	0	112.5	V19 A20 V21 L26 L27	V19-L23 HydrophobicContact CG1-CD1 3.9Å; V19-L23 VanDerWaalsContact O-CB 3.31Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.04Å; A20-L23 PolarHBondContact O-N 2.89Å; V21-L23 VanDerWaalsContact C-N 3.28Å; V21-L23 PolarHBondContact O-N 3.5Å; L23-L26 PolarHBondContact O-N 3.28Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 2.89Å
24	A	65.3	Low	70.4	Confident	55 Å²	55	87 Å²	87	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-65.9	-41.2	173.3	0	0	0	0	0	111.5	A20 V21 L27 A28	A20-A24 WeakPolarHBondContact O-CB 3.42Å; A20-A24 PolarHBondContact O-N 2.95Å; V21-A24 CarbonylContact O-C 3.59Å; V21-A24 WeakPolarHBondContact O-CB 3.35Å; V21-A24 PolarHBondContact O-N 2.9Å; A24-L27 PolarHBondContact O-N 2.85Å; A24-A28 WeakPolarHBondContact O-CB 3.39Å; A24-A28 PolarHBondContact O-N 3.25Å
25	D	59.5	Low	71.4	Confident	84 Å²	84	83 Å²	83	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-39.9	174.8	-67.1	-29.9	0	0	0	111.4	V21 L27 A28 L29	V21-D25 WeakPolarHBondContact CG1-OD2 3.43Å; V21-D25 PolarHBondContact O-N 3.46Å; D25-L27 VanDerWaalsContact C-N 3.32Å; D25-L27 PolarHBondContact O-N 3.45Å; D25-A28 CarbonylContact O-C 3.56Å; D25-A28 PolarHBondContact O-N 2.88Å; D25-L29 WeakPolarHBondContact O-CB 3.21Å; D25-L29 VanDerWaalsContact O-CG 3.28Å; D25-L29 WeakPolarHBondContact O-CG 3.39Å; D25-L29 PolarHBondContact O-N 3.28Å
26	L	56.7	Low	72.6	Confident	116 Å²	116	79.5 Å²	79.5	61%	0.607	46%	0.455	S	S	*	.	H	α-helix	trans	-63.1	-35.6	172.4	-104.9	82.9	0	0	0	112.7	L22 L23 L29	L22-L26 WeakPolarHBondContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CD1 3.28Å; L22-L26 PolarHBondContact O-N 2.81Å; L23-L26 PolarHBondContact O-N 3.28Å; L26-L29 PolarHBondContact O-N 3.42Å
27	L	54.5	Low	73.4	Confident	133 Å²	133	70.8 Å²	70.8	70%	0.696	42%	0.422	S	S	*	.	H	α-helix	trans	-72.2	-35.9	174.6	-72	166.7	0	0	0	111.6	L23 A24 D25 L29 S30	L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 2.89Å; A24-L27 PolarHBondContact O-N 2.85Å; D25-L27 VanDerWaalsContact C-N 3.32Å; D25-L27 PolarHBondContact O-N 3.45Å; L27-L29 VanDerWaalsContact C-N 3.28Å; L27-L29 PolarHBondContact O-N 2.69Å; L27-S30 WeakPolarHBondContact O-CB 3.34Å; L27-S30 PolarHBondContact O-N 3.23Å; L27-S30 PolarHBondContact O-OG 3.42Å
28	A	51.4	Low	74.3	Confident	80 Å²	80	68 Å²	68	66%	0.661	40%	0.399	S	S	*	.	H	α-helix	trans	-70.3	-22.6	172.4	0	0	0	0	0	113.3	A24 D25 S30	A24-A28 WeakPolarHBondContact O-CB 3.39Å; A24-A28 PolarHBondContact O-N 3.25Å; D25-A28 CarbonylContact O-C 3.56Å; D25-A28 PolarHBondContact O-N 2.88Å; A28-S30 PolarHBondContact O-N 3.37Å
29	L	48.2	Very low	75.1	Confident	134 Å²	134	64 Å²	64	70%	0.702	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	14.2	170.5	-76.1	165.6	0	0	0	113.6	D25 L26 L27 D31	D25-L29 WeakPolarHBondContact O-CB 3.21Å; D25-L29 VanDerWaalsContact O-CG 3.28Å; D25-L29 WeakPolarHBondContact O-CG 3.39Å; D25-L29 PolarHBondContact O-N 3.28Å; L26-L29 PolarHBondContact O-N 3.42Å; L27-L29 VanDerWaalsContact C-N 3.28Å; L27-L29 PolarHBondContact O-N 2.69Å; L29-D31 PolarHBondContact O-N 3.49Å; L29-D31 VanDerWaalsContact O-N 3.13Å
30	S	54.8	Low	75.7	Confident	73 Å²	73	61.5 Å²	61.5	51%	0.51	36%	0.362	S	S	.	.			trans	-65	111.3	164	49.8	0	0	0	0	109.6	L27 A28 T32	L27-S30 WeakPolarHBondContact O-CB 3.34Å; L27-S30 PolarHBondContact O-N 3.23Å; L27-S30 PolarHBondContact O-OG 3.42Å; A28-S30 PolarHBondContact O-N 3.37Å; S30-T32 PolarHBondContact O-N 3.3Å; S30-T32 VanDerWaalsContact O-N 3.16Å
31	D	60.7	Low	76.5	Confident	137 Å²	137	59.6 Å²	59.6	73%	0.733	35%	0.348	S	S	*	.			trans	-56.9	121.8	172.9	-88.5	-43.7	0	0	0	109.3	L29 L33	L29-D31 PolarHBondContact O-N 3.49Å; L29-D31 VanDerWaalsContact O-N 3.13Å; D31-L33 HydrophobicContact CB-CD2 3.95Å; D31-L33 HydrophobicContact CB-CG 4.06Å; D31-L33 PolarHBondContact O-N 3.01Å
32	T	70.4	Confident	77.3	Confident	36 Å²	36	56.7 Å²	56.7	22%	0.221	33%	0.331	C	S	.	.			trans	-76.4	79.9	175.2	48.2	0	0	0	0	108.2	S30 P168 K170	S30-T32 PolarHBondContact O-N 3.3Å; S30-T32 VanDerWaalsContact O-N 3.16Å; T32-P168 WeakPolarHBondContact CB-O 3.28Å; T32-P168 HydrophobicContact CG2-CB 4.08Å; T32-P168 HydrophobicContact CG2-CG 4.42Å; T32-P168 WeakPolarHBondContact CG2-O 3.31Å; T32-K170 HydrophobicContact CG2-CD 4.44Å; T32-K170 VanDerWaalsContact CG2-NZ 3.33Å; T32-K170 WeakPolarHBondContact OG1-CD 3.21Å; T32-K170 PolarHBondContact OG1-NZ 2.91Å
33	L	85.9	Confident	78.3	Confident	71 Å²	71	55 Å²	55	37%	0.372	32%	0.321	S	S	.	.			trans	-74.9	-24.8	-173.8	-65.7	174.4	0	0	0	112.7	D31 P52 A429 F430	D31-L33 HydrophobicContact CB-CD2 3.95Å; D31-L33 HydrophobicContact CB-CG 4.06Å; D31-L33 PolarHBondContact O-N 3.01Å; L33-P52 HydrophobicContact CB-CG 3.7Å; L33-P52 HydrophobicContact CD1-CG 3.78Å; L33-P52 HydrophobicContact CG-CG 4.4Å; L33-A429 HydrophobicContact CB-CB 4.09Å; L33-A429 HydrophobicContact CD2-CB 3.66Å; L33-A429 HydrophobicContact CG-CB 4.48Å; L33-A429 WeakPolarHBondContact O-CB 3.4Å; L33-F430 WeakPolarHBondContact O-CE2 3.38Å; L33-F430 VanDerWaalsContact O-CZ 3.23Å; L33-F430 WeakPolarHBondContact O-CZ 3.38Å
34	A	93	Very high	79.6	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.008	30%	0.303	C	S	.	.			trans	-71.5	138.4	177.3	0	0	0	0	0	112.3	I49 V50 K51 A165 Q167 I169	A34-I49 HydrophobicContact CB-CD1 4.41Å; A34-V50 VanDerWaalsContact CA-O 3.28Å; A34-V50 WeakPolarHBondContact CA-O 3.47Å; A34-K51 HydrophobicContact CB-CB 3.66Å; A34-A165 HydrophobicContact CB-CB 4.39Å; A34-Q167 VanDerWaalsContact CB-CD 3.46Å; A34-Q167 HydrophobicContact CB-CG 4.07Å; A34-Q167 VanDerWaalsContact CB-OE1 3.32Å; A34-I169 HydrophobicContact CB-CD1 3.5Å; A34-I169 VanDerWaalsContact CB-CD1 3.5Å
35	V	95.7	Very high	81.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.4	174.3	-55.4	0	0	0	0	110.5	I49 V50 D171 A423 F430	V35-I49 WeakPolarHBondContact O-CG1 3.19Å; V35-V50 HydrophobicContact CG2-CG1 3.59Å; V35-V50 PolarHBondContact N-O 2.76Å; V35-V50 VanDerWaalsContact N-O 3.14Å; V35-V50 PolarHBondContact O-N 2.88Å; V35-D171 HydrophobicContact CB-CB 4.45Å; V35-D171 HydrophobicContact CG1-CB 3.83Å; V35-A423 HydrophobicContact CB-CB 4.38Å; V35-A423 HydrophobicContact CG2-CB 3.75Å; V35-F430 HydrophobicContact CG1-CE2 4.48Å; V35-F430 HydrophobicContact CG2-CD2 4.32Å; V35-F430 HydrophobicContact CG2-CE2 3.96Å
36	M	97.6	Very high	83	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	165.1	-175.2	68.9	179.9	-59	0	0	112.7	V38 V47 A48 R158 A161 I169 D171 A172 V173 L197	M36-V38 HydrophobicContact CE-CG2 3.54Å; M36-V47 HydrophobicContact CE-CG1 3.69Å; M36-V47 HydrophobicContact CE-CG2 4.49Å; M36-A48 CarbonylContact C-O 3.58Å; M36-A48 VanDerWaalsContact CA-O 3.28Å; M36-A48 WeakPolarHBondContact CA-O 3.39Å; M36-R158 HydrophobicContact SD-CB 4.34Å; M36-R158 HydrophobicContact SD-CG 4.25Å; M36-A161 HydrophobicContact CB-CB 4.16Å; M36-A161 HydrophobicContact CE-CB 3.84Å; M36-A161 HydrophobicContact SD-CB 4.07Å; M36-I169 HydrophobicContact CB-CG2 4.05Å; M36-I169 HydrophobicContact CG-CG2 3.67Å; M36-I169 HydrophobicContact SD-CG2 3.58Å; M36-I169 VanDerWaalsContact SD-CG2 3.58Å; M36-D171 PolarHBondContact N-O 2.86Å; M36-A172 HydrophobicContact CG-CB 3.54Å; M36-A172 WeakPolarHBondContact O-CA 3.33Å; M36-A172 HydrophobicContact SD-CB 4.14Å; M36-V173 PolarHBondContact O-N 3.47Å; M36-L197 HydrophobicContact SD-CD2 4Å
37	S	98.6	Very high	85	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	157.3	155.8	74.8	0	0	0	0	111.9	V47 A48 V173 A416	S37-V47 WeakPolarHBondContact O-CA 3.41Å; S37-A48 PolarHBondContact N-O 3.39Å; S37-A48 PolarHBondContact O-N 3.14Å; S37-A48 VanDerWaalsContact O-N 3.14Å; S37-A48 WeakPolarHBondContact OG-CB 3.5Å; S37-V173 CarbonylContact C-O 3.49Å; S37-V173 WeakPolarHBondContact CA-O 3.16Å; S37-V173 WeakPolarHBondContact CB-O 3.5Å; S37-A416 PolarHBondContact OG-O 2.96Å
38	V	98.8	Very high	87.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.5	168.7	-174.5	0	0	0	0	108.2	M36 L40 M45 L154 S157 V173 I174 T175	M36-V38 HydrophobicContact CE-CG2 3.54Å; V38-L40 PolarHBondContact O-N 3.1Å; V38-M45 HydrophobicContact CG1-CB 4.44Å; V38-M45 HydrophobicContact CG1-SD 4.42Å; V38-L154 HydrophobicContact CB-CD2 4.46Å; V38-L154 HydrophobicContact CG1-CD2 4.16Å; V38-L154 HydrophobicContact CG2-CD2 4.33Å; V38-S157 WeakPolarHBondContact CG2-OG 3.41Å; V38-V173 PolarHBondContact N-O 3.3Å; V38-I174 HydrophobicContact CB-CG1 4.45Å; V38-T175 PolarHBondContact O-N 3.47Å
39	D	98.6	Very high	89.2	Confident	14 Å²	14	30.3 Å²	30.3	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	111.2	161.3	176	40.4	0	0	0	109.3	G41 M45 K46 T175 A415 A416	D39-G41 PolarHBondContact O-N 2.85Å; D39-M45 WeakPolarHBondContact O-CA 3.34Å; D39-M45 WeakPolarHBondContact O-CB 3.48Å; D39-K46 HydrophobicContact CB-CB 4.45Å; D39-K46 HydrophobicContact CB-CD 4Å; D39-K46 PolarHBondContact N-O 3.47Å; D39-K46 PolarHBondContact O-N 2.8Å; D39-K46 WeakPolarHBondContact OD2-CD 3.41Å; D39-K46 WeakPolarHBondContact OD2-CE 3.4Å; D39-K46 IonicContact OD2-NZ 2.67Å; D39-K46 PolarHBondContact OD2-NZ 3.13Å; D39-T175 VanDerWaalsContact CA-OG1 3.28Å; D39-T175 WeakPolarHBondContact CA-OG1 3.29Å; D39-T175 HydrophobicContact CB-CG2 4.3Å; D39-T175 PolarHBondContact OD1-OG1 3.42Å; D39-A415 HydrophobicContact CB-CB 4.37Å; D39-A416 HydrophobicContact CB-CB 3.83Å
40	L	97	Very high	91.5	Very high	16 Å²	16	24.4 Å²	24.4	8%	0.084	14%	0.142	C	C	.	.			trans	-95.1	54.6	-170.2	-171.8	55.8	0	0	0	112.7	V38 L150 I174 T175 V188	V38-L40 PolarHBondContact O-N 3.1Å; L40-L150 HydrophobicContact CD1-CD1 3.66Å; L40-L150 HydrophobicContact CD2-CD1 3.74Å; L40-L150 HydrophobicContact CD2-CD2 4.13Å; L40-L150 HydrophobicContact CG-CD1 4.29Å; L40-I174 HydrophobicContact CB-CG2 4.37Å; L40-I174 HydrophobicContact CD2-CG2 4.2Å; L40-T175 PolarHBondContact N-OG1 2.95Å; L40-V188 HydrophobicContact CD2-CG1 4.44Å
41	G	96.1	Very high	93.2	Very high	19 Å²	19	22.3 Å²	22.3	20%	0.196	12%	0.124	C	C	.	.			trans	-61.8	152.5	177.6	0	0	0	0	0	114.1	D39 E43 S44 V70 Q101	D39-G41 PolarHBondContact O-N 2.85Å; G41-E43 PolarHBondContact O-N 3.39Å; G41-S44 WeakPolarHBondContact CA-O 3.44Å; G41-V70 WeakPolarHBondContact O-CG2 3.36Å; G41-Q101 PolarHBondContact O-NE2 3.05Å
42	S	95.4	Very high	94.5	Very high	19 Å²	19	19.1 Å²	19.1	13%	0.133	11%	0.111	C	C	.	.	S	Bend	trans	-60.4	-42.9	-175.5	-24.9	0	0	0	0	113.4	Q101 G236	S42-Q101 PolarHBondContact O-NE2 3.03Å; S42-G236 PolarHBondContact OG-N 2.82Å
43	E	96.3	Very high	95.2	Very high	64 Å²	64	21.8 Å²	21.8	30%	0.299	15%	0.146	S	C	.	.	S	Bend	trans	-94.4	-41.3	-177.7	178.7	-178.5	-174.3	0	0	112.5	G41 P69 V70 Y99 S235 N314	G41-E43 PolarHBondContact O-N 3.39Å; E43-P69 WeakPolarHBondContact O-CA 3.36Å; E43-V70 PolarHBondContact O-N 3.07Å; E43-Y99 HydrophobicContact CB-CE1 3.82Å; E43-Y99 WeakPolarHBondContact CB-OH 3.44Å; E43-Y99 WeakPolarHBondContact CG-OH 3.46Å; E43-S235 WeakPolarHBondContact OE2-CB 3.2Å; E43-S235 PolarHBondContact OE2-OG 3.27Å; E43-N314 PolarHBondContact OE1-ND2 3.32Å
44	S	96.8	Very high	95.3	Very high	21 Å²	21	20.8 Å²	20.8	15%	0.147	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	139.3	-177.4	59.6	0	0	0	0	112.1	G41 T68	G41-S44 WeakPolarHBondContact CA-O 3.44Å; S44-T68 CarbonylContact C-O 3.55Å; S44-T68 VanDerWaalsContact CA-O 3.22Å; S44-T68 WeakPolarHBondContact CA-O 3.48Å; S44-T68 WeakPolarHBondContact CB-O 3.23Å
45	M	97.7	Very high	95.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	156.7	174.2	65	176	-175	0	0	110.9	V38 D39 T68 V70 V153 Y156	V38-M45 HydrophobicContact CG1-CB 4.44Å; V38-M45 HydrophobicContact CG1-SD 4.42Å; D39-M45 WeakPolarHBondContact O-CA 3.34Å; D39-M45 WeakPolarHBondContact O-CB 3.48Å; M45-T68 HydrophobicContact CE-CG2 3.67Å; M45-T68 HydrophobicContact CG-CG2 4.48Å; M45-T68 PolarHBondContact N-O 2.68Å; M45-T68 PolarHBondContact O-N 3.39Å; M45-V70 HydrophobicContact CB-CG2 3.7Å; M45-V70 HydrophobicContact CG-CG2 3.91Å; M45-V153 HydrophobicContact CE-CG1 4.26Å; M45-V153 HydrophobicContact SD-CG1 3.66Å; M45-Y156 HydrophobicContact CE-CD1 3.9Å; M45-Y156 HydrophobicContact CE-CE1 4.49Å
46	K	98.4	Very high	95.1	Very high	24 Å²	24	27.6 Å²	27.6	10%	0.104	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.7	168.6	-46.2	89.9	-172.2	173.9	0	107.3	D39 I58 K67 D412 A416	D39-K46 HydrophobicContact CB-CB 4.45Å; D39-K46 HydrophobicContact CB-CD 4Å; D39-K46 PolarHBondContact N-O 3.47Å; D39-K46 PolarHBondContact O-N 2.8Å; D39-K46 WeakPolarHBondContact OD2-CD 3.41Å; D39-K46 WeakPolarHBondContact OD2-CE 3.4Å; D39-K46 IonicContact OD2-NZ 2.67Å; D39-K46 PolarHBondContact OD2-NZ 3.13Å; K46-I58 HydrophobicContact CB-CD1 4.37Å; K46-K67 HydrophobicContact CG-CG 3.93Å; K46-D412 VanDerWaalsContact CD-O 3.23Å; K46-D412 WeakPolarHBondContact CD-O 3.45Å; K46-D412 WeakPolarHBondContact CE-O 3.05Å; K46-A416 HydrophobicContact CB-CB 4.11Å
47	V	98.5	Very high	95	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.9	177.1	175.9	0	0	0	0	106.5	M36 S37 I58 V59 A161	M36-V47 HydrophobicContact CE-CG1 3.69Å; M36-V47 HydrophobicContact CE-CG2 4.49Å; S37-V47 WeakPolarHBondContact O-CA 3.41Å; V47-I58 CarbonylContact O-C 3.56Å; V47-I58 WeakPolarHBondContact O-CA 3.49Å; V47-V59 HydrophobicContact CB-CB 4.03Å; V47-V59 HydrophobicContact CG1-CB 3.93Å; V47-V59 HydrophobicContact CG1-CG1 4.44Å; V47-V59 HydrophobicContact CG1-CG2 3.91Å; V47-V59 PolarHBondContact O-N 2.89Å; V47-A161 HydrophobicContact CG1-CB 4.02Å
48	A	98.3	Very high	94.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	159.5	167.9	0	0	0	0	0	109.9	M36 S37 E57 I58 A416 M417 V420	M36-A48 CarbonylContact C-O 3.58Å; M36-A48 VanDerWaalsContact CA-O 3.28Å; M36-A48 WeakPolarHBondContact CA-O 3.39Å; S37-A48 PolarHBondContact N-O 3.39Å; S37-A48 PolarHBondContact O-N 3.14Å; S37-A48 VanDerWaalsContact O-N 3.14Å; S37-A48 WeakPolarHBondContact OG-CB 3.5Å; A48-E57 CarbonylContact C-O 3.56Å; A48-E57 WeakPolarHBondContact CA-O 3.47Å; A48-E57 WeakPolarHBondContact CB-O 3.44Å; A48-I58 HydrophobicContact CB-CD1 4.01Å; A48-A416 HydrophobicContact CB-CB 4.2Å; A48-M417 HydrophobicContact CB-SD 4.35Å; A48-V420 HydrophobicContact CB-CB 3.87Å; A48-V420 HydrophobicContact CB-CG1 3.68Å; A48-V420 HydrophobicContact CB-CG2 4.44Å
49	I	97	Very high	94.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.8	-177.5	-159.1	173.5	0	0	0	111.2	A34 V35 M56 E57 V59 A161 F164 A165 I169	A34-I49 HydrophobicContact CB-CD1 4.41Å; V35-I49 WeakPolarHBondContact O-CG1 3.19Å; I49-M56 WeakPolarHBondContact O-CA 3.34Å; I49-E57 PolarHBondContact N-O 2.88Å; I49-E57 PolarHBondContact O-N 2.89Å; I49-V59 HydrophobicContact CB-CG2 3.83Å; I49-V59 HydrophobicContact CG2-CG2 3.6Å; I49-A161 HydrophobicContact CD1-CB 4.2Å; I49-F164 HydrophobicContact CG2-CD1 3.61Å; I49-F164 HydrophobicContact CG2-CE1 3.56Å; I49-A165 HydrophobicContact CD1-CB 3.58Å; I49-I169 HydrophobicContact CD1-CD1 4.01Å
50	V	95.1	Very high	94.8	Very high	10 Å²	10	34.4 Å²	34.4	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.8	163	62.3	0	0	0	0	108.5	A34 V35 M56 V420 A424 F430	A34-V50 VanDerWaalsContact CA-O 3.28Å; A34-V50 WeakPolarHBondContact CA-O 3.47Å; V35-V50 HydrophobicContact CG2-CG1 3.59Å; V35-V50 PolarHBondContact N-O 2.76Å; V35-V50 VanDerWaalsContact N-O 3.14Å; V35-V50 PolarHBondContact O-N 2.88Å; V50-M56 HydrophobicContact CB-CG 4.03Å; V50-M56 HydrophobicContact CG2-CG 4.16Å; V50-V420 HydrophobicContact CB-CG2 4.24Å; V50-V420 HydrophobicContact CG1-CG2 4.07Å; V50-A424 HydrophobicContact CG1-CB 4Å; V50-F430 HydrophobicContact CB-CZ 4.37Å; V50-F430 HydrophobicContact CG1-CD2 4.04Å; V50-F430 HydrophobicContact CG1-CE1 4.37Å; V50-F430 HydrophobicContact CG1-CE2 3.65Å; V50-F430 HydrophobicContact CG1-CZ 3.84Å; V50-F430 HydrophobicContact CG2-CD1 4.11Å; V50-F430 HydrophobicContact CG2-CE1 3.77Å; V50-F430 HydrophobicContact CG2-CZ 4.01Å
51	K	92.1	Very high	94.7	Very high	28 Å²	28	34.1 Å²	34.1	12%	0.122	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.6	175.5	73.2	-176.5	-170.4	177.7	0	110.1	A34 G53 V54 F164 A165 E166	A34-K51 HydrophobicContact CB-CB 3.66Å; K51-G53 PolarHBondContact O-N 3.12Å; K51-V54 HydrophobicContact CD-CG2 4.32Å; K51-V54 HydrophobicContact CG-CB 3.78Å; K51-V54 HydrophobicContact CG-CG2 3.67Å; K51-V54 PolarHBondContact O-N 2.78Å; K51-F164 PolarHBondContact NZ-O 3.38Å; K51-A165 HydrophobicContact CD-CB 4.41Å; K51-A165 VanDerWaalsContact NZ-C 3.27Å; K51-A165 PolarHBondContact NZ-O 3.37Å; K51-E166 IonicContact NZ-OE2 3.86Å
52	P	87.4	Confident	94.6	Very high	70 Å²	70	39 Å²	39	46%	0.455	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	131.5	-179.1	-28.4	35.6	0	0	0	112.5	L33 V54	L33-P52 HydrophobicContact CB-CG 3.7Å; L33-P52 HydrophobicContact CD1-CG 3.78Å; L33-P52 HydrophobicContact CG-CG 4.4Å; P52-V54 VanDerWaalsContact C-N 3.28Å; P52-V54 PolarHBondContact O-N 3.36Å
53	G	85.3	Confident	94.6	Very high	93 Å²	93	43.5 Å²	43.5	96%	0.959	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	-5.6	-177.6	0	0	0	0	0	116.1	K51	K51-G53 PolarHBondContact O-N 3.12Å
54	V	86.9	Confident	94.6	Very high	49 Å²	49	44.8 Å²	44.8	30%	0.297	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.8	-179.1	-174.3	0	0	0	0	109.6	K51 P52	K51-V54 HydrophobicContact CD-CG2 4.32Å; K51-V54 HydrophobicContact CG-CB 3.78Å; K51-V54 HydrophobicContact CG-CG2 3.67Å; K51-V54 PolarHBondContact O-N 2.78Å; P52-V54 VanDerWaalsContact C-N 3.28Å; P52-V54 PolarHBondContact O-N 3.36Å
55	P	89.5	Confident	94.6	Very high	94 Å²	94	50.4 Å²	50.4	61%	0.61	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	171.9	174.4	29.5	-36.4	0	0	0	112	E57	P55-E57 PolarHBondContact O-N 3.16Å
56	M	94.9	Very high	94.5	Very high	52 Å²	52	54.4 Å²	54.4	26%	0.256	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	124	168.8	-66.7	161.3	-174.4	0	0	109.5	I49 V50 M417 V420 Y421 A424 V432	I49-M56 WeakPolarHBondContact O-CA 3.34Å; V50-M56 HydrophobicContact CB-CG 4.03Å; V50-M56 HydrophobicContact CG2-CG 4.16Å; M56-M417 HydrophobicContact CB-CE 3.88Å; M56-V420 HydrophobicContact CB-CG1 3.94Å; M56-V420 HydrophobicContact CG-CG1 4.05Å; M56-V420 HydrophobicContact SD-CG1 4.47Å; M56-Y421 HydrophobicContact CE-CD2 3.76Å; M56-Y421 HydrophobicContact CE-CE2 4.48Å; M56-Y421 HydrophobicContact CE-CG 4.33Å; M56-Y421 HydrophobicContact SD-CD2 3.75Å; M56-Y421 HydrophobicContact SD-CG 4.41Å; M56-A424 HydrophobicContact CE-CB 3.47Å; M56-A424 VanDerWaalsContact CE-CB 3.47Å; M56-V432 HydrophobicContact CE-CG1 3.78Å
57	E	95.4	Very high	94.4	Very high	78 Å²	78	57.3 Å²	57.3	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.6	-179.2	-179.5	159.7	-151	0	0	112.6	A48 I49 P55 V59 R66	A48-E57 CarbonylContact C-O 3.56Å; A48-E57 WeakPolarHBondContact CA-O 3.47Å; A48-E57 WeakPolarHBondContact CB-O 3.44Å; I49-E57 PolarHBondContact N-O 2.88Å; I49-E57 PolarHBondContact O-N 2.89Å; P55-E57 PolarHBondContact O-N 3.16Å; E57-V59 PolarHBondContact O-N 2.8Å; E57-R66 IonicContact OE1-NH1 3.26Å
58	I	97.9	Very high	94.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119	170.5	-59	-74.7	0	0	0	109.9	K46 V47 A48 L60 R66 E413 A416 M417	K46-I58 HydrophobicContact CB-CD1 4.37Å; V47-I58 CarbonylContact O-C 3.56Å; V47-I58 WeakPolarHBondContact O-CA 3.49Å; A48-I58 HydrophobicContact CB-CD1 4.01Å; I58-L60 PolarHBondContact O-N 3.36Å; I58-R66 HydrophobicContact CG2-CB 3.88Å; I58-R66 HydrophobicContact CG2-CG 4.18Å; I58-R66 WeakPolarHBondContact CG2-O 3.22Å; I58-E413 HydrophobicContact CD1-CB 4.07Å; I58-E413 HydrophobicContact CD1-CG 4.1Å; I58-E413 HydrophobicContact CG1-CB 4.22Å; I58-E413 HydrophobicContact CG1-CG 3.96Å; I58-A416 HydrophobicContact CD1-CB 3.68Å; I58-M417 HydrophobicContact CD1-CG 4.25Å; I58-M417 HydrophobicContact CD1-SD 3.99Å; I58-M417 HydrophobicContact CG1-SD 3.96Å
59	V	97.3	Very high	94.3	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.03	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129	173.5	171.4	0	0	0	0	110	V47 I49 E57 L160 F164	V47-V59 HydrophobicContact CB-CB 4.03Å; V47-V59 HydrophobicContact CG1-CB 3.93Å; V47-V59 HydrophobicContact CG1-CG1 4.44Å; V47-V59 HydrophobicContact CG1-CG2 3.91Å; V47-V59 PolarHBondContact O-N 2.89Å; I49-V59 HydrophobicContact CB-CG2 3.83Å; I49-V59 HydrophobicContact CG2-CG2 3.6Å; E57-V59 PolarHBondContact O-N 2.8Å; V59-L160 HydrophobicContact CG1-CB 4.08Å; V59-L160 WeakPolarHBondContact CG1-O 3.23Å; V59-F164 HydrophobicContact CG1-CB 3.88Å; V59-F164 HydrophobicContact CG1-CD2 4.38Å; V59-F164 HydrophobicContact CG1-CG 4.27Å; V59-F164 HydrophobicContact CG2-CB 4.13Å; V59-F164 HydrophobicContact CG2-CD1 4.08Å; V59-F164 HydrophobicContact CG2-CD2 4.45Å; V59-F164 HydrophobicContact CG2-CG 3.99Å
60	L	96.9	Very high	94.4	Very high	74 Å²	74	59 Å²	59	39%	0.387	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-76.6	144.6	172.2	-58	-175.2	0	0	0	110.9	I58 R66	I58-L60 PolarHBondContact O-N 3.36Å; L60-R66 HydrophobicContact CD2-CB 4.44Å; L60-R66 HydrophobicContact CD2-CG 3.4Å
61	N	95.2	Very high	94.5	Very high	9 Å²	9	59.1 Å²	59.1	5%	0.048	32%	0.323	C	S	.	.			trans	-83.6	179.4	171.5	86.7	1.8	0	0	0	112.3	E63 S64 R65 K67 T68 D83 L160	N61-E63 PolarHBondContact O-N 3.02Å; N61-E63 VanDerWaalsContact O-N 3.1Å; N61-E63 WeakPolarHBondContact OD1-CA 3.34Å; N61-E63 PolarHBondContact OD1-N 3.26Å; N61-S64 WeakPolarHBondContact O-CA 3.25Å; N61-S64 PolarHBondContact O-N 3.44Å; N61-R65 PolarHBondContact N-O 3.31Å; N61-R65 WeakPolarHBondContact OD1-CB 3.49Å; N61-R65 PolarHBondContact OD1-N 3.25Å; N61-R65 VanDerWaalsContact OD1-N 3.08Å; N61-K67 PolarHBondContact ND2-O 3.33Å; N61-T68 WeakPolarHBondContact CB-OG1 3.43Å; N61-T68 PolarHBondContact ND2-OG1 2.69Å; N61-D83 PolarHBondContact ND2-OD2 2.9Å; N61-L160 HydrophobicContact CB-CD1 4.06Å
62	K	94.7	Very high	94.8	Very high	123 Å²	123	57.8 Å²	57.8	54%	0.535	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.5	-174.4	-53.5	-159.4	176.5	-144	0	114.3	L160 D163	K62-L160 HydrophobicContact CG-CD2 3.89Å; K62-D163 VanDerWaalsContact CE-OD2 3.31Å; K62-D163 WeakPolarHBondContact CE-OD2 3.41Å; K62-D163 IonicContact NZ-OD2 2.85Å; K62-D163 PolarHBondContact NZ-OD2 3.24Å
63	E	94.8	Very high	95.3	Very high	112 Å²	112	54.5 Å²	54.5	52%	0.523	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	18.2	172.5	-46.3	-52.5	148.9	0	0	112.5	N61 R65 D83	N61-E63 PolarHBondContact O-N 3.02Å; N61-E63 VanDerWaalsContact O-N 3.1Å; N61-E63 WeakPolarHBondContact OD1-CA 3.34Å; N61-E63 PolarHBondContact OD1-N 3.26Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 HydrophobicContact CB-CG 4.17Å; E63-R65 PolarHBondContact O-N 3.25Å; E63-D83 HydrophobicContact CG-CB 3.7Å
64	S	96.3	Very high	95.7	Very high	92 Å²	92	50.7 Å²	50.7	64%	0.643	25%	0.253	S	S	*	.	S	Bend	trans	59	26.5	-174.1	-57.8	0	0	0	0	115.2	N61	N61-S64 WeakPolarHBondContact O-CA 3.25Å; N61-S64 PolarHBondContact O-N 3.44Å
65	R	96.3	Very high	95.9	Very high	139 Å²	139	51 Å²	51	53%	0.525	25%	0.25	S	S	.	.			trans	-97	139.6	-178.1	-58.4	173.9	177.1	-158.3	-9.8	112.1	N61 E63 K67 D83	N61-R65 PolarHBondContact N-O 3.31Å; N61-R65 WeakPolarHBondContact OD1-CB 3.49Å; N61-R65 PolarHBondContact OD1-N 3.25Å; N61-R65 VanDerWaalsContact OD1-N 3.08Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 HydrophobicContact CB-CG 4.17Å; E63-R65 PolarHBondContact O-N 3.25Å; R65-K67 PolarHBondContact O-N 2.94Å; R65-D83 WeakPolarHBondContact CD-OD1 3.45Å; R65-D83 IonicContact CZ-OD1 3.97Å; R65-D83 IonicContact NE-OD1 2.94Å; R65-D83 IonicContact NH1-OD1 3.88Å; R65-D83 PolarHBondContact NH1-OD1 3.5Å
66	R	96.7	Very high	95.5	Very high	85 Å²	85	53.5 Å²	53.5	32%	0.321	25%	0.254	S	S	.	.	S	Bend	trans	-75	-3.8	173.8	-67	175.6	78	87.8	-9.6	114.1	E57 I58 L60 E413	E57-R66 IonicContact OE1-NH1 3.26Å; I58-R66 HydrophobicContact CG2-CB 3.88Å; I58-R66 HydrophobicContact CG2-CG 4.18Å; I58-R66 WeakPolarHBondContact CG2-O 3.22Å; L60-R66 HydrophobicContact CD2-CB 4.44Å; L60-R66 HydrophobicContact CD2-CG 3.4Å; R66-E413 IonicContact CZ-OE1 2.76Å; R66-E413 IonicContact CZ-OE2 3.91Å; R66-E413 IonicContact NE-OE1 3.71Å; R66-E413 PolarHBondContact NE-OE1 3.16Å; R66-E413 IonicContact NE-OE2 2.78Å; R66-E413 PolarHBondContact NE-OE2 3.01Å; R66-E413 IonicContact NH2-OE1 2.89Å; R66-E413 IonicContact NH2-OE2 3.3Å; R66-E413 PolarHBondContact NH2-OE2 3.19Å
67	K	95.8	Very high	94.9	Very high	85 Å²	85	58.3 Å²	58.3	37%	0.37	28%	0.28	S	S	.	.			trans	-133.2	135.1	176.6	-62.3	-173.1	-66.5	-173.4	0	109.3	K46 N61 R65 D412	K46-K67 HydrophobicContact CG-CG 3.93Å; N61-K67 PolarHBondContact ND2-O 3.33Å; R65-K67 PolarHBondContact O-N 2.94Å; K67-D412 HydrophobicContact CD-CB 4.27Å; K67-D412 WeakPolarHBondContact CD-OD2 3.21Å; K67-D412 WeakPolarHBondContact CE-OD2 3.43Å; K67-D412 IonicContact NZ-OD2 3.36Å; K67-D412 PolarHBondContact NZ-OD2 3.09Å
68	T	97.9	Very high	94.7	Very high	5 Å²	5	60 Å²	60	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.2	179.2	-61.8	0	0	0	0	110	S44 M45 N61 V70 Y156 L160	S44-T68 CarbonylContact C-O 3.55Å; S44-T68 VanDerWaalsContact CA-O 3.22Å; S44-T68 WeakPolarHBondContact CA-O 3.48Å; S44-T68 WeakPolarHBondContact CB-O 3.23Å; M45-T68 HydrophobicContact CE-CG2 3.67Å; M45-T68 HydrophobicContact CG-CG2 4.48Å; M45-T68 PolarHBondContact N-O 2.68Å; M45-T68 PolarHBondContact O-N 3.39Å; N61-T68 WeakPolarHBondContact CB-OG1 3.43Å; N61-T68 PolarHBondContact ND2-OG1 2.69Å; T68-V70 PolarHBondContact O-N 3.25Å; T68-Y156 HydrophobicContact CG2-CD1 4.47Å; T68-Y156 HydrophobicContact CG2-CE1 3.9Å; T68-L160 HydrophobicContact CG2-CD1 4.48Å
69	P	97.6	Very high	94.6	Very high	33 Å²	33	66 Å²	66	21%	0.214	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	133.1	175.9	-28.2	36.5	0	0	0	113.2	E43 I71 G82 D83	E43-P69 WeakPolarHBondContact O-CA 3.36Å; P69-I71 VanDerWaalsContact C-N 3.31Å; P69-I71 HydrophobicContact CB-CG2 3.61Å; P69-I71 PolarHBondContact O-N 2.77Å; P69-I71 VanDerWaalsContact O-N 3.09Å; P69-G82 WeakPolarHBondContact O-CA 3.49Å; P69-D83 WeakPolarHBondContact CD-OD2 3.28Å
70	V	98.1	Very high	94.6	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.018	32%	0.318	C	S	.	.			trans	-85.9	80.2	174.2	-178.7	0	0	0	0	108.8	G41 E43 M45 T68 F100 Q101 V153	G41-V70 WeakPolarHBondContact O-CG2 3.36Å; E43-V70 PolarHBondContact O-N 3.07Å; M45-V70 HydrophobicContact CB-CG2 3.7Å; M45-V70 HydrophobicContact CG-CG2 3.91Å; T68-V70 PolarHBondContact O-N 3.25Å; V70-F100 HydrophobicContact CG1-CE1 4.18Å; V70-F100 HydrophobicContact CG1-CZ 4.22Å; V70-Q101 VanDerWaalsContact CG1-NE2 3.33Å; V70-V153 HydrophobicContact CG1-CG1 4.12Å; V70-V153 HydrophobicContact CG1-CG2 4.22Å
71	I	97.7	Very high	94.7	Very high	13 Å²	13	65.5 Å²	65.5	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	135.1	-173.8	-170.4	164.5	0	0	0	109.3	P69 G82 A85 A86 A89 T96 L97 R98	P69-I71 VanDerWaalsContact C-N 3.31Å; P69-I71 HydrophobicContact CB-CG2 3.61Å; P69-I71 PolarHBondContact O-N 2.77Å; P69-I71 VanDerWaalsContact O-N 3.09Å; I71-G82 VanDerWaalsContact CG2-O 3.31Å; I71-G82 WeakPolarHBondContact CG2-O 3.44Å; I71-G82 PolarHBondContact O-N 2.78Å; I71-A85 HydrophobicContact CG1-CB 4.35Å; I71-A85 HydrophobicContact CG2-CB 3.87Å; I71-A85 WeakPolarHBondContact O-CB 3.28Å; I71-A86 HydrophobicContact CG2-CB 4.28Å; I71-A89 HydrophobicContact CD1-CB 4.3Å; I71-T96 HydrophobicContact CD1-CG2 3.63Å; I71-T96 HydrophobicContact CG1-CG2 3.5Å; I71-T96 VanDerWaalsContact CG1-CG2 3.5Å; I71-L97 WeakPolarHBondContact CA-O 3.49Å; I71-R98 HydrophobicContact CD1-CB 4.38Å; I71-R98 HydrophobicContact CG1-CB 4.18Å
72	V	98.1	Very high	94.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.8	-178	-172.8	0	0	0	0	108.6	L74 F80 F81 T96 L97 V149 V153	V72-L74 HydrophobicContact CG1-CD2 3.82Å; V72-L74 HydrophobicContact CG1-CG 4.1Å; V72-F80 WeakPolarHBondContact CA-O 3.37Å; V72-F81 HydrophobicContact CG1-CD1 4.25Å; V72-F81 HydrophobicContact CG1-CE1 3.83Å; V72-F81 HydrophobicContact CG2-CD1 4.01Å; V72-F81 HydrophobicContact CG2-CE1 4.01Å; V72-T96 CarbonylContact O-C 3.5Å; V72-T96 VanDerWaalsContact O-CA 3.32Å; V72-T96 WeakPolarHBondContact O-CA 3.38Å; V72-L97 PolarHBondContact N-O 3.17Å; V72-L97 PolarHBondContact O-N 2.85Å; V72-V149 HydrophobicContact CB-CG1 4.33Å; V72-V149 HydrophobicContact CG2-CG1 3.97Å; V72-V153 HydrophobicContact CG2-CG2 3.51Å
73	T	97.6	Very high	94.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.8	168.8	-56.3	0	0	0	0	109.5	F80 A85 M88 N92 A95 T96	T73-F80 HydrophobicContact CG2-CD2 4.37Å; T73-F80 PolarHBondContact N-O 3.31Å; T73-F80 VanDerWaalsContact N-O 3.09Å; T73-F80 PolarHBondContact O-N 2.77Å; T73-A85 PolarHBondContact OG1-O 2.79Å; T73-M88 HydrophobicContact CG2-CB 4.07Å; T73-N92 HydrophobicContact CG2-CB 4.04Å; T73-A95 WeakPolarHBondContact CA-O 3.48Å; T73-T96 WeakPolarHBondContact CG2-OG1 3.37Å; T73-T96 VanDerWaalsContact OG1-CG2 3.23Å; T73-T96 WeakPolarHBondContact OG1-CG2 3.5Å; T73-T96 PolarHBondContact OG1-OG1 2.67Å
74	L	94.9	Very high	94.8	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.4	-179.7	-59.6	171.6	0	0	0	108.3	V72 R79 A95 L97 I138 F144 M152	V72-L74 HydrophobicContact CG1-CD2 3.82Å; V72-L74 HydrophobicContact CG1-CG 4.1Å; L74-R79 HydrophobicContact CD2-CB 4.27Å; L74-R79 HydrophobicContact CD2-CG 3.8Å; L74-A95 PolarHBondContact N-O 3.46Å; L74-A95 VanDerWaalsContact O-CB 3.25Å; L74-A95 WeakPolarHBondContact O-CB 3.31Å; L74-L97 HydrophobicContact CD1-CD1 4.37Å; L74-I138 HydrophobicContact CB-CG2 3.95Å; L74-I138 HydrophobicContact CD1-CD1 4.01Å; L74-I138 HydrophobicContact CD1-CG1 3.84Å; L74-F144 HydrophobicContact CD1-CD2 3.69Å; L74-F144 HydrophobicContact CD1-CE2 3.77Å; L74-M152 HydrophobicContact CD2-SD 4.05Å
75	K	89.6	Confident	94.9	Very high	56 Å²	56	53 Å²	53	24%	0.243	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	127.8	-172.8	178.2	-179.9	-175.1	-80.8	0	110.8	N77 E78 F80 M88	K75-N77 PolarHBondContact O-N 2.8Å; K75-N77 VanDerWaalsContact O-N 3.13Å; K75-E78 PolarHBondContact N-O 3.29Å; K75-E78 VanDerWaalsContact N-O 3.07Å; K75-E78 WeakPolarHBondContact O-CA 3.38Å; K75-E78 WeakPolarHBondContact O-CB 3.44Å; K75-E78 PolarHBondContact O-N 2.75Å; K75-F80 HydrophobicContact CB-CE2 4.32Å; K75-M88 HydrophobicContact CD-CE 3.73Å
76	E	81.5	Confident	94.8	Very high	147 Å²	147	48.1 Å²	48.1	69%	0.687	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.7	169.5	-67.6	153.8	-152.7	0	0	113.6	E78	E76-E78 PolarHBondContact O-N 3.21Å
77	N	82.7	Confident	94.7	Very high	152 Å²	152	48.2 Å²	48.2	81%	0.813	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-0.1	-173.1	-56.1	-23.8	0	0	0	116.3	K75	K75-N77 PolarHBondContact O-N 2.8Å; K75-N77 VanDerWaalsContact O-N 3.13Å
78	E	92	Very high	94.6	Very high	115 Å²	115	45.8 Å²	45.8	54%	0.537	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	154.4	169.5	-58	-170.3	132.4	0	0	112.2	K75 E76 F80	K75-E78 PolarHBondContact N-O 3.29Å; K75-E78 VanDerWaalsContact N-O 3.07Å; K75-E78 WeakPolarHBondContact O-CA 3.38Å; K75-E78 WeakPolarHBondContact O-CB 3.44Å; K75-E78 PolarHBondContact O-N 2.75Å; E76-E78 PolarHBondContact O-N 3.21Å; E78-F80 HydrophobicContact CB-CE2 3.88Å; E78-F80 HydrophobicContact CB-CZ 4.12Å; E78-F80 VanDerWaalsContact OE2-CZ 3.29Å; E78-F80 WeakPolarHBondContact OE2-CZ 3.48Å
79	R	95.3	Very high	94.5	Very high	126 Å²	126	45.8 Å²	45.8	48%	0.475	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.5	177.4	-54.3	-172.4	-67.3	165.9	2.7	109.4	L74 F81 M152	L74-R79 HydrophobicContact CD2-CB 4.27Å; L74-R79 HydrophobicContact CD2-CG 3.8Å; R79-F81 HydrophobicContact CB-CE2 3.78Å; R79-F81 HydrophobicContact CB-CZ 3.8Å; R79-M152 VanDerWaalsContact CD-SD 3.56Å
80	F	97.3	Very high	94.3	Very high	40 Å²	40	45.6 Å²	45.6	18%	0.175	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	150	175.4	-54.5	-92.7	0	0	0	110	V72 T73 K75 E78 A85 M88	V72-F80 WeakPolarHBondContact CA-O 3.37Å; T73-F80 HydrophobicContact CG2-CD2 4.37Å; T73-F80 PolarHBondContact N-O 3.31Å; T73-F80 VanDerWaalsContact N-O 3.09Å; T73-F80 PolarHBondContact O-N 2.77Å; K75-F80 HydrophobicContact CB-CE2 4.32Å; E78-F80 HydrophobicContact CB-CE2 3.88Å; E78-F80 HydrophobicContact CB-CZ 4.12Å; E78-F80 VanDerWaalsContact OE2-CZ 3.29Å; E78-F80 WeakPolarHBondContact OE2-CZ 3.48Å; F80-A85 HydrophobicContact CB-CB 3.96Å; F80-A85 WeakPolarHBondContact O-CB 3.39Å; F80-M88 HydrophobicContact CD1-CG 4.45Å; F80-M88 HydrophobicContact CD2-CE 4.43Å; F80-M88 HydrophobicContact CE1-CE 4.45Å; F80-M88 HydrophobicContact CE2-CE 3.91Å; F80-M88 HydrophobicContact CG-CG 4.4Å; F80-M88 HydrophobicContact CZ-CE 3.91Å
81	F	97.8	Very high	94.2	Very high	27 Å²	27	51.7 Å²	51.7	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.4	-178.1	-57.9	-80	0	0	0	111.3	V72 R79 S84 A85 M152 Y156	V72-F81 HydrophobicContact CG1-CD1 4.25Å; V72-F81 HydrophobicContact CG1-CE1 3.83Å; V72-F81 HydrophobicContact CG2-CD1 4.01Å; V72-F81 HydrophobicContact CG2-CE1 4.01Å; R79-F81 HydrophobicContact CB-CE2 3.78Å; R79-F81 HydrophobicContact CB-CZ 3.8Å; F81-S84 WeakPolarHBondContact O-CB 3.23Å; F81-S84 PolarHBondContact O-N 2.98Å; F81-A85 PolarHBondContact O-N 3.5Å; F81-M152 HydrophobicContact CE1-CB 3.67Å; F81-M152 HydrophobicContact CZ-CB 3.94Å; F81-Y156 HydrophobicContact CB-CD1 3.39Å; F81-Y156 HydrophobicContact CB-CD2 4Å; F81-Y156 HydrophobicContact CB-CE1 3.52Å; F81-Y156 HydrophobicContact CB-CE2 4.14Å; F81-Y156 HydrophobicContact CB-CG 3.64Å; F81-Y156 HydrophobicContact CD1-CD1 4.49Å; F81-Y156 HydrophobicContact CD1-CG 4.29Å; F81-Y156 AromaticContact CD2-CD2 3.94Å; F81-Y156 HydrophobicContact CD2-CD2 3.94Å; F81-Y156 HydrophobicContact CD2-CE2 4.49Å; F81-Y156 HydrophobicContact CD2-CG 4.02Å; F81-Y156 AromaticContact CG-CD1 3.96Å; F81-Y156 HydrophobicContact CG-CD1 3.96Å; F81-Y156 HydrophobicContact CG-CD2 4.08Å; F81-Y156 HydrophobicContact CG-CE1 4.49Å; F81-Y156 AromaticContact CG-CG 3.72Å; F81-Y156 HydrophobicContact CG-CG 3.72Å
82	G	96.7	Very high	94.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	56.9	-139.8	173	0	0	0	0	0	113.4	P69 I71 S84 A85 A86	P69-G82 WeakPolarHBondContact O-CA 3.49Å; I71-G82 VanDerWaalsContact CG2-O 3.31Å; I71-G82 WeakPolarHBondContact CG2-O 3.44Å; I71-G82 PolarHBondContact O-N 2.78Å; G82-S84 PolarHBondContact O-N 3.35Å; G82-A85 PolarHBondContact O-N 2.87Å; G82-A85 VanDerWaalsContact O-N 3.16Å; G82-A86 PolarHBondContact O-N 2.75Å
83	D	95.9	Very high	94	Very high	20 Å²	20	53 Å²	53	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-26.5	-179.8	-58.8	-92.7	0	0	0	113.6	N61 E63 R65 P69 S87	N61-D83 PolarHBondContact ND2-OD2 2.9Å; E63-D83 HydrophobicContact CG-CB 3.7Å; R65-D83 WeakPolarHBondContact CD-OD1 3.45Å; R65-D83 IonicContact CZ-OD1 3.97Å; R65-D83 IonicContact NE-OD1 2.94Å; R65-D83 IonicContact NH1-OD1 3.88Å; R65-D83 PolarHBondContact NH1-OD1 3.5Å; P69-D83 WeakPolarHBondContact CD-OD2 3.28Å; D83-S87 WeakPolarHBondContact O-CB 3.39Å; D83-S87 PolarHBondContact O-N 3.45Å; D83-S87 PolarHBondContact O-OG 3.13Å
84	S	95.9	Very high	93.9	Very high	52 Å²	52	59.3 Å²	59.3	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-70	-46.7	175.1	-168.9	0	0	0	0	111.6	F81 G82 S87 M88	F81-S84 WeakPolarHBondContact O-CB 3.23Å; F81-S84 PolarHBondContact O-N 2.98Å; G82-S84 PolarHBondContact O-N 3.35Å; S84-S87 WeakPolarHBondContact O-CB 3.06Å; S84-S87 PolarHBondContact O-N 2.79Å; S84-M88 WeakPolarHBondContact O-CG 3.28Å; S84-M88 PolarHBondContact O-N 3.08Å
85	A	97.1	Very high	94	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-37.8	171.6	0	0	0	0	0	112.3	I71 T73 F80 F81 G82 S87 M88 A89	I71-A85 HydrophobicContact CG1-CB 4.35Å; I71-A85 HydrophobicContact CG2-CB 3.87Å; I71-A85 WeakPolarHBondContact O-CB 3.28Å; T73-A85 PolarHBondContact OG1-O 2.79Å; F80-A85 HydrophobicContact CB-CB 3.96Å; F80-A85 WeakPolarHBondContact O-CB 3.39Å; F81-A85 PolarHBondContact O-N 3.5Å; G82-A85 PolarHBondContact O-N 2.87Å; G82-A85 VanDerWaalsContact O-N 3.16Å; A85-S87 PolarHBondContact O-N 3.36Å; A85-M88 CarbonylContact O-C 3.52Å; A85-M88 PolarHBondContact O-N 3.07Å; A85-M88 VanDerWaalsContact O-N 3.09Å; A85-A89 PolarHBondContact O-N 3.35Å
86	A	94.6	Very high	94.3	Very high	37 Å²	37	56.9 Å²	56.9	31%	0.306	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-34.4	173.1	0	0	0	0	0	112.5	I71 G82 A89	I71-A86 HydrophobicContact CG2-CB 4.28Å; G82-A86 PolarHBondContact O-N 2.75Å; A86-A89 WeakPolarHBondContact O-CB 3.44Å
87	S	93.8	Very high	95.1	Very high	87 Å²	87	50 Å²	50	61%	0.608	26%	0.257	S	S	*	.	H	α-helix	trans	-72.4	-35.3	173.1	-60.3	0	0	0	0	112.8	D83 S84 A85	D83-S87 WeakPolarHBondContact O-CB 3.39Å; D83-S87 PolarHBondContact O-N 3.45Å; D83-S87 PolarHBondContact O-OG 3.13Å; S84-S87 WeakPolarHBondContact O-CB 3.06Å; S84-S87 PolarHBondContact O-N 2.79Å; A85-S87 PolarHBondContact O-N 3.36Å
88	M	95.1	Very high	95.8	Very high	34 Å²	34	44 Å²	44	17%	0.167	22%	0.223	C	C	.	.	H	α-helix	trans	-79.5	-18.3	178.2	-72.9	-69.2	-93.8	0	0	114	T73 K75 F80 S84 A85 I90 K91 N92	T73-M88 HydrophobicContact CG2-CB 4.07Å; K75-M88 HydrophobicContact CD-CE 3.73Å; F80-M88 HydrophobicContact CD1-CG 4.45Å; F80-M88 HydrophobicContact CD2-CE 4.43Å; F80-M88 HydrophobicContact CE1-CE 4.45Å; F80-M88 HydrophobicContact CE2-CE 3.91Å; F80-M88 HydrophobicContact CG-CG 4.4Å; F80-M88 HydrophobicContact CZ-CE 3.91Å; S84-M88 WeakPolarHBondContact O-CG 3.28Å; S84-M88 PolarHBondContact O-N 3.08Å; A85-M88 CarbonylContact O-C 3.52Å; A85-M88 PolarHBondContact O-N 3.07Å; A85-M88 VanDerWaalsContact O-N 3.09Å; M88-I90 VanDerWaalsContact C-N 3.31Å; M88-I90 PolarHBondContact O-N 2.98Å; M88-K91 PolarHBondContact O-N 3.04Å; M88-K91 HydrophobicContact SD-CD 4.37Å; M88-N92 PolarHBondContact O-N 3.42Å; M88-N92 PolarHBondContact O-ND2 2.96Å; M88-N92 VanDerWaalsContact O-ND2 3.13Å
89	A	94.9	Very high	96	Very high	6 Å²	6	39.6 Å²	39.6	5%	0.05	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-41.8	-178.8	0	0	0	0	0	114.5	I71 A85 A86 K91 P93 T96	I71-A89 HydrophobicContact CD1-CB 4.3Å; A85-A89 PolarHBondContact O-N 3.35Å; A86-A89 WeakPolarHBondContact O-CB 3.44Å; A89-K91 VanDerWaalsContact C-N 3.33Å; A89-P93 VanDerWaalsContact O-CA 3.31Å; A89-P93 WeakPolarHBondContact O-CA 3.46Å; A89-P93 WeakPolarHBondContact O-CD 3.39Å; A89-T96 HydrophobicContact CB-CG2 3.83Å
90	I	94.8	Very high	96.1	Very high	28 Å²	28	33.6 Å²	33.6	14%	0.144	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.1	-179	-66.5	167.4	0	0	0	111.4	M88 R304 A307 K308	M88-I90 VanDerWaalsContact C-N 3.31Å; M88-I90 PolarHBondContact O-N 2.98Å; I90-R304 VanDerWaalsContact O-CG 3.28Å; I90-R304 WeakPolarHBondContact O-CG 3.3Å; I90-A307 HydrophobicContact CG1-CB 4.23Å; I90-K308 HydrophobicContact CD1-CG 4.23Å; I90-K308 HydrophobicContact CG1-CG 4.43Å; I90-K308 HydrophobicContact CG2-CG 3.73Å
91	K	94.9	Very high	96	Very high	132 Å²	132	32.1 Å²	32.1	57%	0.574	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-35.7	179.6	-67.4	177.4	-179.6	176	0	111.6	M88 A89 P93 R304	M88-K91 PolarHBondContact O-N 3.04Å; M88-K91 HydrophobicContact SD-CD 4.37Å; A89-K91 VanDerWaalsContact C-N 3.33Å; K91-P93 VanDerWaalsContact C-CD 3.46Å; K91-R304 PolarHBondContact O-NE 3.5Å; K91-R304 PolarHBondContact O-NH2 2.94Å
92	N	96	Very high	95.8	Very high	31 Å²	31	31.8 Å²	31.8	17%	0.166	17%	0.172	C	C	.	.			trans	-130.1	52.8	-169.9	-43.1	-76.4	0	0	0	112.8	T73 M88 K94 A95 T96	T73-N92 HydrophobicContact CG2-CB 4.04Å; M88-N92 PolarHBondContact O-N 3.42Å; M88-N92 PolarHBondContact O-ND2 2.96Å; M88-N92 VanDerWaalsContact O-ND2 3.13Å; N92-K94 PolarHBondContact O-N 3.09Å; N92-A95 CarbonylContact O-C 3.59Å; N92-A95 PolarHBondContact O-N 2.96Å; N92-A95 VanDerWaalsContact O-N 3.15Å; N92-T96 PolarHBondContact O-N 2.87Å; N92-T96 PolarHBondContact O-OG1 2.98Å
93	P	96.2	Very high	95.8	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.052	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-59.1	-45.6	-169.6	22.1	-33.6	0	0	0	113.1	A89 K91 A95 T96 E122 H123 P303 R304 A307	A89-P93 VanDerWaalsContact O-CA 3.31Å; A89-P93 WeakPolarHBondContact O-CA 3.46Å; A89-P93 WeakPolarHBondContact O-CD 3.39Å; K91-P93 VanDerWaalsContact C-CD 3.46Å; P93-A95 PolarHBondContact O-N 3.36Å; P93-A95 VanDerWaalsContact O-N 3.1Å; P93-T96 PolarHBondContact O-N 2.77Å; P93-E122 HydrophobicContact CB-CG 4.22Å; P93-H123 PolarHBondContact O-NE2 2.94Å; P93-P303 HydrophobicContact CB-CB 4.13Å; P93-P303 HydrophobicContact CG-CB 3.63Å; P93-R304 HydrophobicContact CG-CG 4.24Å; P93-A307 HydrophobicContact CB-CB 4.37Å
94	K	95.4	Very high	95.9	Very high	134 Å²	134	30.9 Å²	30.9	58%	0.583	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-54.6	-29.1	178.1	-65.1	-150.8	167.4	-159.5	0	114.7	N92 E122 H123	N92-K94 PolarHBondContact O-N 3.09Å; K94-E122 WeakPolarHBondContact CA-O 3.22Å; K94-E122 HydrophobicContact CG-CB 4.41Å; K94-E122 VanDerWaalsContact CG-O 3.3Å; K94-E122 WeakPolarHBondContact CG-O 3.39Å; K94-H123 PolarHBondContact O-CD2 2.89Å
95	A	95.6	Very high	95.8	Very high	18 Å²	18	29.7 Å²	29.7	15%	0.149	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-112.7	21.8	-177.8	0	0	0	0	0	112.4	T73 L74 N92 P93 I138	T73-A95 WeakPolarHBondContact CA-O 3.48Å; L74-A95 PolarHBondContact N-O 3.46Å; L74-A95 VanDerWaalsContact O-CB 3.25Å; L74-A95 WeakPolarHBondContact O-CB 3.31Å; N92-A95 CarbonylContact O-C 3.59Å; N92-A95 PolarHBondContact O-N 2.96Å; N92-A95 VanDerWaalsContact O-N 3.15Å; P93-A95 PolarHBondContact O-N 3.36Å; P93-A95 VanDerWaalsContact O-N 3.1Å; A95-I138 HydrophobicContact CB-CG2 4.19Å
96	T	97.4	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	92.9	178.3	-57.2	0	0	0	0	111.4	I71 V72 T73 A89 N92 P93 H123	I71-T96 HydrophobicContact CD1-CG2 3.63Å; I71-T96 HydrophobicContact CG1-CG2 3.5Å; I71-T96 VanDerWaalsContact CG1-CG2 3.5Å; V72-T96 CarbonylContact O-C 3.5Å; V72-T96 VanDerWaalsContact O-CA 3.32Å; V72-T96 WeakPolarHBondContact O-CA 3.38Å; T73-T96 WeakPolarHBondContact CG2-OG1 3.37Å; T73-T96 VanDerWaalsContact OG1-CG2 3.23Å; T73-T96 WeakPolarHBondContact OG1-CG2 3.5Å; T73-T96 PolarHBondContact OG1-OG1 2.67Å; A89-T96 HydrophobicContact CB-CG2 3.83Å; N92-T96 PolarHBondContact O-N 2.87Å; N92-T96 PolarHBondContact O-OG1 2.98Å; P93-T96 PolarHBondContact O-N 2.77Å; T96-H123 PolarHBondContact O-CE1 3.13Å; T96-H123 PolarHBondContact O-NE2 3.31Å
97	L	98	Very high	95.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.3	-174.1	-50.6	-176.4	0	0	0	111.2	I71 V72 L74 F100 F136 I138 V149	I71-L97 WeakPolarHBondContact CA-O 3.49Å; V72-L97 PolarHBondContact N-O 3.17Å; V72-L97 PolarHBondContact O-N 2.85Å; L74-L97 HydrophobicContact CD1-CD1 4.37Å; L97-F100 HydrophobicContact CB-CD1 4.4Å; L97-F136 HydrophobicContact CD1-CB 3.97Å; L97-F136 HydrophobicContact CD1-CD1 4.18Å; L97-F136 HydrophobicContact CD1-CD2 3.73Å; L97-F136 HydrophobicContact CD1-CE2 4.23Å; L97-F136 HydrophobicContact CD1-CG 3.69Å; L97-F136 HydrophobicContact CD2-CB 4.29Å; L97-F136 HydrophobicContact CD2-CD1 3.5Å; L97-F136 HydrophobicContact CD2-CE1 3.86Å; L97-F136 HydrophobicContact CD2-CG 3.88Å; L97-F136 HydrophobicContact CG-CD1 4.44Å; L97-F136 HydrophobicContact CG-CG 4.43Å; L97-I138 HydrophobicContact CD1-CD1 4.25Å; L97-I138 HydrophobicContact CD2-CD1 4.18Å; L97-I138 HydrophobicContact CG-CD1 4.4Å; L97-V149 HydrophobicContact CB-CG1 4.29Å; L97-V149 HydrophobicContact CD1-CB 4.41Å; L97-V149 HydrophobicContact CD1-CG1 3.92Å; L97-V149 HydrophobicContact CD1-CG2 3.55Å
98	R	96.9	Very high	95.8	Very high	27 Å²	27	29.7 Å²	29.7	10%	0.102	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	158.4	-175.1	63.8	-174.3	86.4	-175.7	16.3	109.7	I71 F100 Y116 F120	I71-R98 HydrophobicContact CD1-CB 4.38Å; I71-R98 HydrophobicContact CG1-CB 4.18Å; R98-F100 PolarHBondContact O-N 2.96Å; R98-Y116 WeakPolarHBondContact O-CE2 3.5Å; R98-Y116 PolarHBondContact O-OH 2.86Å; R98-F120 HydrophobicContact CG-CD1 4.49Å; R98-F120 HydrophobicContact CG-CE1 4.12Å; R98-F120 HydrophobicContact CG-CZ 4.21Å
99	Y	97.1	Very high	95.7	Very high	23 Å²	23	34.4 Å²	34.4	9%	0.09	18%	0.178	C	C	.	.	S	Bend	trans	53.5	19.9	176.3	-64.5	-72.7	0	0	0	115.1	E43 Q101 F120 S235 L273	E43-Y99 HydrophobicContact CB-CE1 3.82Å; E43-Y99 WeakPolarHBondContact CB-OH 3.44Å; E43-Y99 WeakPolarHBondContact CG-OH 3.46Å; Y99-Q101 VanDerWaalsContact C-N 3.28Å; Y99-Q101 PolarHBondContact O-N 3.06Å; Y99-F120 HydrophobicContact CD2-CE1 4.44Å; Y99-F120 HydrophobicContact CD2-CE2 4.21Å; Y99-F120 AromaticContact CD2-CZ 3.58Å; Y99-F120 HydrophobicContact CD2-CZ 3.58Å; Y99-F120 HydrophobicContact CE2-CZ 4.39Å; Y99-F120 HydrophobicContact CG-CE2 4.45Å; Y99-F120 HydrophobicContact CG-CZ 4.24Å; Y99-S235 WeakPolarHBondContact CE1-OG 3.21Å; Y99-S235 PolarHBondContact OH-OG 2.85Å; Y99-L273 HydrophobicContact CD1-CD2 3.88Å; Y99-L273 HydrophobicContact CD2-CD1 4.14Å; Y99-L273 HydrophobicContact CD2-CD2 3.94Å; Y99-L273 HydrophobicContact CE1-CB 4.18Å; Y99-L273 HydrophobicContact CE1-CD2 4.1Å; Y99-L273 HydrophobicContact CE2-CD1 3.71Å; Y99-L273 HydrophobicContact CE2-CD2 4.16Å; Y99-L273 HydrophobicContact CE2-CG 4.39Å; Y99-L273 HydrophobicContact CG-CD2 3.8Å
100	F	96.9	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-79.6	-7.4	-175.1	59.5	-93.6	0	0	0	113.3	V70 L97 R98 H102 L103 Y116 F136 V149 L150 V153	V70-F100 HydrophobicContact CG1-CE1 4.18Å; V70-F100 HydrophobicContact CG1-CZ 4.22Å; L97-F100 HydrophobicContact CB-CD1 4.4Å; R98-F100 PolarHBondContact O-N 2.96Å; F100-H102 PolarHBondContact O-N 3.36Å; F100-H102 VanDerWaalsContact O-N 3.1Å; F100-L103 HydrophobicContact CB-CD1 4.48Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 3.23Å; F100-Y116 HydrophobicContact CB-CE2 4.08Å; F100-F136 HydrophobicContact CB-CE2 3.9Å; F100-F136 HydrophobicContact CB-CZ 3.63Å; F100-V149 HydrophobicContact CD1-CG1 4.09Å; F100-V149 HydrophobicContact CD2-CB 4.39Å; F100-V149 HydrophobicContact CD2-CG1 4.32Å; F100-V149 HydrophobicContact CE1-CG1 3.68Å; F100-V149 HydrophobicContact CE2-CB 4.09Å; F100-V149 HydrophobicContact CE2-CG1 3.92Å; F100-V149 HydrophobicContact CG-CG1 4.41Å; F100-V149 HydrophobicContact CZ-CB 4.25Å; F100-V149 HydrophobicContact CZ-CG1 3.59Å; F100-L150 HydrophobicContact CE2-CB 4.01Å; F100-V153 HydrophobicContact CZ-CG2 4.12Å
101	Q	95.8	Very high	96	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.042	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.9	-24.4	-178	-60	91.1	-40.1	0	0	112.7	G41 S42 V70 Y99 L103 L104	G41-Q101 PolarHBondContact O-NE2 3.05Å; S42-Q101 PolarHBondContact O-NE2 3.03Å; V70-Q101 VanDerWaalsContact CG1-NE2 3.33Å; Y99-Q101 VanDerWaalsContact C-N 3.28Å; Y99-Q101 PolarHBondContact O-N 3.06Å; Q101-L103 PolarHBondContact O-N 3.48Å; Q101-L104 HydrophobicContact CB-CD1 4.2Å; Q101-L104 WeakPolarHBondContact O-CD1 3.37Å; Q101-L104 WeakPolarHBondContact O-CG 3.49Å; Q101-L104 PolarHBondContact O-N 2.88Å
102	H	92.7	Very high	96.1	Very high	19 Å²	19	28.6 Å²	28.6	9%	0.088	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-75.8	-6.7	177.6	-70.9	-144.1	0	0	0	113.3	F100 K106 H112 G236 R268	F100-H102 PolarHBondContact O-N 3.36Å; F100-H102 VanDerWaalsContact O-N 3.1Å; H102-K106 WeakPolarHBondContact O-CG 3.44Å; H102-H112 AromaticContact ND1-CE1 3.76Å; H102-H112 AromaticContact ND1-ND1 3.9Å; H102-G236 PolarHBondContact CE1-O 3.02Å; H102-R268 PolarHBondContact CE1-O 2.83Å
103	L	97.4	Very high	96.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-97	-10.1	177.6	-52.9	178.7	0	0	0	113.5	F100 Q101 G105 K106 V113 Y116 V134 F136 P146	F100-L103 HydrophobicContact CB-CD1 4.48Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 3.23Å; Q101-L103 PolarHBondContact O-N 3.48Å; L103-G105 PolarHBondContact O-N 2.85Å; L103-K106 WeakPolarHBondContact O-CB 3.13Å; L103-K106 PolarHBondContact O-N 3.24Å; L103-V113 HydrophobicContact CD2-CB 4.4Å; L103-V113 HydrophobicContact CD2-CG2 4.04Å; L103-Y116 HydrophobicContact CD1-CD1 4.21Å; L103-Y116 HydrophobicContact CD1-CD2 3.95Å; L103-Y116 HydrophobicContact CD1-CE2 4.26Å; L103-Y116 HydrophobicContact CD1-CG 3.93Å; L103-Y116 HydrophobicContact CD2-CD2 4.46Å; L103-Y116 HydrophobicContact CD2-CG 4.18Å; L103-Y116 HydrophobicContact CG-CD2 4.2Å; L103-Y116 HydrophobicContact CG-CG 4.31Å; L103-V134 HydrophobicContact CD1-CG2 4.33Å; L103-F136 HydrophobicContact CD1-CE1 4.38Å; L103-F136 HydrophobicContact CD1-CE2 4.25Å; L103-F136 HydrophobicContact CD1-CZ 3.65Å; L103-P146 HydrophobicContact CB-CB 4.08Å; L103-P146 HydrophobicContact CB-CG 3.68Å; L103-P146 HydrophobicContact CD1-CG 4.37Å
104	L	97.3	Very high	96.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	121.5	-176.5	-69.2	167.4	0	0	0	110.6	Q101 K106 P146 E147 L150 F180 A187 V188	Q101-L104 HydrophobicContact CB-CD1 4.2Å; Q101-L104 WeakPolarHBondContact O-CD1 3.37Å; Q101-L104 WeakPolarHBondContact O-CG 3.49Å; Q101-L104 PolarHBondContact O-N 2.88Å; L104-K106 PolarHBondContact O-N 3.02Å; L104-P146 HydrophobicContact CD2-CB 4.02Å; L104-E147 WeakPolarHBondContact CA-OE1 3.32Å; L104-E147 HydrophobicContact CD2-CG 4.06Å; L104-L150 HydrophobicContact CD1-CD2 3.83Å; L104-L150 HydrophobicContact CD2-CB 4.31Å; L104-L150 HydrophobicContact CD2-CD2 3.94Å; L104-F180 HydrophobicContact CD1-CE2 4.18Å; L104-F180 HydrophobicContact CD1-CZ 4.37Å; L104-A187 HydrophobicContact CB-CB 3.87Å; L104-A187 HydrophobicContact CD2-CB 4.32Å; L104-V188 HydrophobicContact CD1-CG2 4.05Å
105	G	93.4	Very high	96.3	Very high	28 Å²	28	26.7 Å²	26.7	29%	0.289	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	20	-177	0	0	0	0	0	115.6	L103 E147	L103-G105 PolarHBondContact O-N 2.85Å; G105-E147 PolarHBondContact N-OE1 2.68Å
106	K	95.4	Very high	96.4	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.022	15%	0.154	C	C	.	.			trans	-92.9	133	177.5	-62.1	-56.1	-176.6	-176.1	0	112.7	H102 L103 L104 N110 V113 T133 E184 V510	H102-K106 WeakPolarHBondContact O-CG 3.44Å; L103-K106 WeakPolarHBondContact O-CB 3.13Å; L103-K106 PolarHBondContact O-N 3.24Å; L104-K106 PolarHBondContact O-N 3.02Å; K106-N110 HydrophobicContact CB-CB 4.25Å; K106-V113 HydrophobicContact CB-CG2 4.3Å; K106-T133 WeakPolarHBondContact O-CA 3.26Å; K106-T133 WeakPolarHBondContact O-CB 3.28Å; K106-T133 WeakPolarHBondContact O-CG2 3.37Å; K106-E184 WeakPolarHBondContact CE-OE1 3.46Å; K106-E184 IonicContact NZ-OE1 2.77Å; K106-E184 PolarHBondContact NZ-OE1 2.8Å; K106-E184 IonicContact NZ-OE2 2.71Å; K106-V510 PolarHBondContact NZ-O 3.46Å
107	Q	94.6	Very high	96.5	Very high	85 Å²	85	29.2 Å²	29.2	40%	0.397	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-66.5	151.4	167.9	-67.7	179.8	-7.7	0	0	110.7	D109 N110 V113 Q132	Q107-D109 VanDerWaalsContact C-N 3.25Å; Q107-D109 WeakPolarHBondContact CB-OD1 3.45Å; Q107-D109 PolarHBondContact O-N 3.04Å; Q107-N110 WeakPolarHBondContact O-CB 3.33Å; Q107-N110 PolarHBondContact O-N 2.77Å; Q107-N110 VanDerWaalsContact O-N 3.08Å; Q107-V113 WeakPolarHBondContact O-CG2 3.42Å; Q107-Q132 CarbonylContact C-O 3.48Å; Q107-Q132 VanDerWaalsContact CA-O 3.27Å; Q107-Q132 WeakPolarHBondContact CA-O 3.38Å
108	A	94.9	Very high	96.4	Very high	33 Å²	33	32.7 Å²	32.7	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.6	-168.3	0	0	0	0	0	115.6	F127 Q132 V134	A108-F127 HydrophobicContact CB-CD2 3.56Å; A108-F127 HydrophobicContact CB-CE2 3.96Å; A108-Q132 PolarHBondContact N-O 3.38Å; A108-V134 HydrophobicContact CB-CG1 3.72Å
109	D	94.9	Very high	96.5	Very high	133 Å²	133	32.6 Å²	32.6	71%	0.711	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-6.3	175.1	66.8	-28.7	0	0	0	113.6	Q107	Q107-D109 VanDerWaalsContact C-N 3.25Å; Q107-D109 WeakPolarHBondContact CB-OD1 3.45Å; Q107-D109 PolarHBondContact O-N 3.04Å
110	N	96.9	Very high	96.5	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.048	19%	0.192	C	C	.	.	S	Bend	trans	-64.2	138.6	-176	-172.4	-83	0	0	0	111.9	K106 Q107 H112 V113 R509 V510	K106-N110 HydrophobicContact CB-CB 4.25Å; Q107-N110 WeakPolarHBondContact O-CB 3.33Å; Q107-N110 PolarHBondContact O-N 2.77Å; Q107-N110 VanDerWaalsContact O-N 3.08Å; N110-H112 PolarHBondContact O-N 3.17Å; N110-H112 WeakPolarHBondContact OD1-CB 3.45Å; N110-H112 PolarHBondContact OD1-N 3Å; N110-V113 HydrophobicContact CB-CG2 4.26Å; N110-V113 WeakPolarHBondContact O-CB 3.37Å; N110-V113 PolarHBondContact O-N 3.18Å; N110-R509 PolarHBondContact ND2-O 2.74Å; N110-R509 VanDerWaalsContact ND2-O 3.16Å; N110-V510 PolarHBondContact ND2-O 3.11Å
111	P	97.4	Very high	96.4	Very high	28 Å²	28	35.8 Å²	35.8	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-56.2	-28.1	-178	-25.7	33.4	0	0	0	114.8	V113 A114 L115 R509 V510	P111-V113 VanDerWaalsContact C-N 3.33Å; P111-V113 PolarHBondContact O-N 3.06Å; P111-A114 PolarHBondContact O-N 3.29Å; P111-L115 WeakPolarHBondContact O-CB 3.42Å; P111-L115 PolarHBondContact O-N 3.17Å; P111-R509 WeakPolarHBondContact CD-O 3.43Å; P111-R509 HydrophobicContact CG-CB 3.86Å; P111-V510 HydrophobicContact CB-CG2 3.92Å; P111-V510 HydrophobicContact CG-CG2 4.17Å
112	H	96.9	Very high	96.4	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-69.7	-25.3	175.4	-84.5	-163.3	0	0	0	114.1	H102 N110 Y116	H102-H112 AromaticContact ND1-CE1 3.76Å; H102-H112 AromaticContact ND1-ND1 3.9Å; N110-H112 PolarHBondContact O-N 3.17Å; N110-H112 WeakPolarHBondContact OD1-CB 3.45Å; N110-H112 PolarHBondContact OD1-N 3Å; H112-Y116 WeakPolarHBondContact O-CB 3.14Å; H112-Y116 PolarHBondContact O-N 3.24Å
113	V	97.7	Very high	96.6	Very high	12 Å²	12	35.5 Å²	35.5	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-48.9	172.7	178.9	0	0	0	0	109.7	L103 K106 Q107 N110 P111 L115 Y116 Q117 L125 V134	L103-V113 HydrophobicContact CD2-CB 4.4Å; L103-V113 HydrophobicContact CD2-CG2 4.04Å; K106-V113 HydrophobicContact CB-CG2 4.3Å; Q107-V113 WeakPolarHBondContact O-CG2 3.42Å; N110-V113 HydrophobicContact CB-CG2 4.26Å; N110-V113 WeakPolarHBondContact O-CB 3.37Å; N110-V113 PolarHBondContact O-N 3.18Å; P111-V113 VanDerWaalsContact C-N 3.33Å; P111-V113 PolarHBondContact O-N 3.06Å; V113-L115 PolarHBondContact O-N 3.14Å; V113-Y116 PolarHBondContact O-N 3.43Å; V113-Q117 PolarHBondContact O-N 2.81Å; V113-L125 HydrophobicContact CG1-CD1 3.99Å; V113-V134 HydrophobicContact CG1-CG1 3.62Å; V113-V134 HydrophobicContact CG2-CG1 4.31Å
114	A	97.4	Very high	96.6	Very high	67 Å²	67	40.9 Å²	40.9	55%	0.554	24%	0.244	S	C	*	.	H	α-helix	trans	-61.5	-42.3	175.3	0	0	0	0	0	112.1	P111 Q117 A118	P111-A114 PolarHBondContact O-N 3.29Å; A114-Q117 PolarHBondContact O-N 3.06Å; A114-A118 WeakPolarHBondContact O-CB 3.44Å; A114-A118 PolarHBondContact O-N 2.87Å
115	L	97.9	Very high	96.6	Very high	54 Å²	54	42.3 Å²	42.3	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-62.4	-42.1	176.1	-178.7	60.1	0	0	0	112.2	P111 V113 A118 R119 T269	P111-L115 WeakPolarHBondContact O-CB 3.42Å; P111-L115 PolarHBondContact O-N 3.17Å; V113-L115 PolarHBondContact O-N 3.14Å; L115-A118 PolarHBondContact O-N 2.85Å; L115-R119 HydrophobicContact CD1-CG 4.4Å; L115-R119 VanDerWaalsContact O-CG 3.24Å; L115-R119 WeakPolarHBondContact O-CG 3.34Å; L115-R119 PolarHBondContact O-N 3.15Å; L115-T269 HydrophobicContact CD2-CG2 3.64Å
116	Y	98.3	Very high	96.6	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-48.7	174.1	-178	-78.4	0	0	0	111.1	R98 F100 L103 H112 V113 A118 R119 F120 H123 L125 F136	R98-Y116 WeakPolarHBondContact O-CE2 3.5Å; R98-Y116 PolarHBondContact O-OH 2.86Å; F100-Y116 HydrophobicContact CB-CE2 4.08Å; L103-Y116 HydrophobicContact CD1-CD1 4.21Å; L103-Y116 HydrophobicContact CD1-CD2 3.95Å; L103-Y116 HydrophobicContact CD1-CE2 4.26Å; L103-Y116 HydrophobicContact CD1-CG 3.93Å; L103-Y116 HydrophobicContact CD2-CD2 4.46Å; L103-Y116 HydrophobicContact CD2-CG 4.18Å; L103-Y116 HydrophobicContact CG-CD2 4.2Å; L103-Y116 HydrophobicContact CG-CG 4.31Å; H112-Y116 WeakPolarHBondContact O-CB 3.14Å; H112-Y116 PolarHBondContact O-N 3.24Å; V113-Y116 PolarHBondContact O-N 3.43Å; Y116-A118 VanDerWaalsContact C-N 3.27Å; Y116-A118 PolarHBondContact O-N 3.08Å; Y116-R119 PolarHBondContact O-N 3.29Å; Y116-R119 VanDerWaalsContact O-N 3.1Å; Y116-F120 HydrophobicContact CD1-CD2 4.47Å; Y116-F120 HydrophobicContact CD2-CD2 4.12Å; Y116-F120 HydrophobicContact CE1-CB 4.19Å; Y116-F120 HydrophobicContact CE1-CD2 4.19Å; Y116-F120 AromaticContact CE2-CD2 3.86Å; Y116-F120 HydrophobicContact CE2-CD2 3.86Å; Y116-F120 HydrophobicContact CE2-CE2 4.3Å; Y116-F120 HydrophobicContact CG-CD2 4.42Å; Y116-F120 AromaticContact CZ-CD2 3.87Å; Y116-F120 PolarHBondContact O-N 3.18Å; Y116-H123 HydrophobicContact CE1-CB 4.3Å; Y116-H123 AromaticContact CE1-ND1 3.51Å; Y116-H123 AromaticContact CZ-ND1 3.53Å; Y116-H123 PolarHBondContact OH-CE1 3.38Å; Y116-H123 PolarHBondContact OH-ND1 2.84Å; Y116-L125 HydrophobicContact CD1-CD1 4.15Å; Y116-F136 AromaticContact CE1-CE1 3.7Å; Y116-F136 HydrophobicContact CE1-CE1 3.7Å; Y116-F136 HydrophobicContact CE1-CZ 4.21Å; Y116-F136 HydrophobicContact CE2-CZ 4.43Å; Y116-F136 AromaticContact CZ-CE1 3.71Å; Y116-F136 AromaticContact CZ-CZ 3.88Å; Y116-F136 WeakPolarHBondContact OH-CE1 3.43Å
117	Q	97.6	Very high	96.6	Very high	62 Å²	62	47.9 Å²	47.9	29%	0.29	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-33.2	-178.7	-170.3	63.7	81.4	0	0	112.5	V113 A114 F120 P121 H123 L125	V113-Q117 PolarHBondContact O-N 2.81Å; A114-Q117 PolarHBondContact O-N 3.06Å; Q117-F120 CarbonylContact O-C 3.6Å; Q117-P121 WeakPolarHBondContact O-CA 3.46Å; Q117-H123 PolarHBondContact NE2-O 2.82Å; Q117-H123 PolarHBondContact OE1-O 3.12Å; Q117-L125 HydrophobicContact CB-CD1 4.44Å
118	A	97.6	Very high	96.5	Very high	73 Å²	73	44.6 Å²	44.6	60%	0.603	26%	0.256	S	S	*	.	H	α-helix	trans	-72.9	-35.1	173.8	0	0	0	0	0	113.2	A114 L115 Y116	A114-A118 WeakPolarHBondContact O-CB 3.44Å; A114-A118 PolarHBondContact O-N 2.87Å; L115-A118 PolarHBondContact O-N 2.85Å; Y116-A118 VanDerWaalsContact C-N 3.27Å; Y116-A118 PolarHBondContact O-N 3.08Å
119	R	97.4	Very high	96.3	Very high	25 Å²	25	47.7 Å²	47.7	9%	0.094	27%	0.273	C	S	.	.	H	α-helix	trans	-72.9	-38.3	177.5	-70.1	176.2	163.4	163.8	-6.6	112.1	L115 Y116 T269 E274 L277 R280	L115-R119 HydrophobicContact CD1-CG 4.4Å; L115-R119 VanDerWaalsContact O-CG 3.24Å; L115-R119 WeakPolarHBondContact O-CG 3.34Å; L115-R119 PolarHBondContact O-N 3.15Å; Y116-R119 PolarHBondContact O-N 3.29Å; Y116-R119 VanDerWaalsContact O-N 3.1Å; R119-T269 PolarHBondContact NH2-O 3.19Å; R119-E274 IonicContact CZ-OE2 3.36Å; R119-E274 IonicContact NE-OE2 3.63Å; R119-E274 PolarHBondContact NE-OE2 3.24Å; R119-E274 IonicContact NH2-OE2 3.23Å; R119-E274 PolarHBondContact NH2-OE2 2.66Å; R119-L277 HydrophobicContact CB-CD1 4.08Å; R119-L277 HydrophobicContact CG-CD1 3.6Å; R119-R280 PolarHBondContact O-NH1 3.27Å; R119-R280 VanDerWaalsContact O-NH1 3.15Å; R119-R280 PolarHBondContact O-NH2 2.91Å
120	F	97.3	Very high	96	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	28%	0.28	C	S	.	.			trans	-127.2	66.1	-176.6	-52.7	-68.8	0	0	0	112.7	R98 Y99 Y116 Q117 E122 H123 L273 L310	R98-F120 HydrophobicContact CG-CD1 4.49Å; R98-F120 HydrophobicContact CG-CE1 4.12Å; R98-F120 HydrophobicContact CG-CZ 4.21Å; Y99-F120 HydrophobicContact CD2-CE1 4.44Å; Y99-F120 HydrophobicContact CD2-CE2 4.21Å; Y99-F120 AromaticContact CD2-CZ 3.58Å; Y99-F120 HydrophobicContact CD2-CZ 3.58Å; Y99-F120 HydrophobicContact CE2-CZ 4.39Å; Y99-F120 HydrophobicContact CG-CE2 4.45Å; Y99-F120 HydrophobicContact CG-CZ 4.24Å; Y116-F120 HydrophobicContact CD1-CD2 4.47Å; Y116-F120 HydrophobicContact CD2-CD2 4.12Å; Y116-F120 HydrophobicContact CE1-CB 4.19Å; Y116-F120 HydrophobicContact CE1-CD2 4.19Å; Y116-F120 AromaticContact CE2-CD2 3.86Å; Y116-F120 HydrophobicContact CE2-CD2 3.86Å; Y116-F120 HydrophobicContact CE2-CE2 4.3Å; Y116-F120 HydrophobicContact CG-CD2 4.42Å; Y116-F120 AromaticContact CZ-CD2 3.87Å; Y116-F120 PolarHBondContact O-N 3.18Å; Q117-F120 CarbonylContact O-C 3.6Å; F120-E122 VanDerWaalsContact CA-OE2 3.27Å; F120-E122 WeakPolarHBondContact CA-OE2 3.45Å; F120-E122 PolarHBondContact O-N 2.86Å; F120-H123 AromaticContact CG-CE1 3.95Å; F120-H123 PolarHBondContact O-N 2.99Å; F120-H123 VanDerWaalsContact O-N 3.1Å; F120-L273 HydrophobicContact CE2-CD2 4.39Å; F120-L273 HydrophobicContact CZ-CD1 4.14Å; F120-L273 HydrophobicContact CZ-CD2 4.11Å; F120-L310 HydrophobicContact CE1-CD2 4.31Å
121	P	96.6	Very high	95.6	Very high	90 Å²	90	54.8 Å²	54.8	58%	0.584	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.8	-178.3	30.3	-37.2	0	0	0	114	Q117 H123	Q117-P121 WeakPolarHBondContact O-CA 3.46Å; P121-H123 VanDerWaalsContact C-N 3.31Å
122	E	95.7	Very high	95.4	Very high	17 Å²	17	58.7 Å²	58.7	8%	0.079	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.3	170.8	67.2	-97.3	-131.7	0	0	114.2	P93 K94 F120 P303	P93-E122 HydrophobicContact CB-CG 4.22Å; K94-E122 WeakPolarHBondContact CA-O 3.22Å; K94-E122 HydrophobicContact CG-CB 4.41Å; K94-E122 VanDerWaalsContact CG-O 3.3Å; K94-E122 WeakPolarHBondContact CG-O 3.39Å; F120-E122 VanDerWaalsContact CA-OE2 3.27Å; F120-E122 WeakPolarHBondContact CA-OE2 3.45Å; F120-E122 PolarHBondContact O-N 2.86Å; E122-P303 HydrophobicContact CB-CB 4.03Å; E122-P303 HydrophobicContact CB-CG 4.33Å
123	H	97	Very high	95.3	Very high	5 Å²	5	59 Å²	59	2%	0.023	32%	0.316	C	S	.	.	S	Bend	trans	-89.5	142.9	178.8	-61.1	152	0	0	0	111.3	P93 K94 T96 Y116 Q117 F120 P121	P93-H123 PolarHBondContact O-NE2 2.94Å; K94-H123 PolarHBondContact O-CD2 2.89Å; T96-H123 PolarHBondContact O-CE1 3.13Å; T96-H123 PolarHBondContact O-NE2 3.31Å; Y116-H123 HydrophobicContact CE1-CB 4.3Å; Y116-H123 AromaticContact CE1-ND1 3.51Å; Y116-H123 AromaticContact CZ-ND1 3.53Å; Y116-H123 PolarHBondContact OH-CE1 3.38Å; Y116-H123 PolarHBondContact OH-ND1 2.84Å; Q117-H123 PolarHBondContact NE2-O 2.82Å; Q117-H123 PolarHBondContact OE1-O 3.12Å; F120-H123 AromaticContact CG-CE1 3.95Å; F120-H123 PolarHBondContact O-N 2.99Å; F120-H123 VanDerWaalsContact O-N 3.1Å; P121-H123 VanDerWaalsContact C-N 3.31Å
124	E	96	Very high	95.2	Very high	113 Å²	113	58.8 Å²	58.8	53%	0.528	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.2	177.9	-174	175.6	154.3	0	0	109	Q137	E124-Q137 HydrophobicContact CB-CB 4.08Å; E124-Q137 HydrophobicContact CG-CB 3.92Å; E124-Q137 HydrophobicContact CG-CG 4.46Å; E124-Q137 PolarHBondContact O-N 3.16Å
125	L	96.7	Very high	95.2	Very high	32 Å²	32	56.8 Å²	56.8	17%	0.168	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.7	175.2	-66.1	179.2	0	0	0	110.7	V113 Y116 Q117 V134 H135 F136	V113-L125 HydrophobicContact CG1-CD1 3.99Å; Y116-L125 HydrophobicContact CD1-CD1 4.15Å; Q117-L125 HydrophobicContact CB-CD1 4.44Å; L125-V134 HydrophobicContact CD2-CB 4.43Å; L125-V134 HydrophobicContact CD2-CG2 4.32Å; L125-H135 WeakPolarHBondContact CA-O 3.46Å; L125-F136 HydrophobicContact CD2-CD1 3.56Å; L125-F136 HydrophobicContact CD2-CE1 3.61Å; L125-F136 HydrophobicContact CD2-CG 4.21Å; L125-F136 HydrophobicContact CD2-CZ 4.3Å
126	T	95.4	Very high	95.1	Very high	35 Å²	35	54.3 Å²	54.3	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.3	177.4	51.1	0	0	0	0	110.7	V134 H135 Q137 Q143	T126-V134 CarbonylContact O-C 3.57Å; T126-V134 VanDerWaalsContact O-CA 3.26Å; T126-V134 WeakPolarHBondContact O-CA 3.44Å; T126-H135 PolarHBondContact N-O 3.45Å; T126-H135 PolarHBondContact O-N 3.22Å; T126-H135 PolarHBondContact OG1-O 2.94Å; T126-Q137 HydrophobicContact CG2-CB 4.07Å; T126-Q137 HydrophobicContact CG2-CG 4.44Å; T126-Q143 PolarHBondContact OG1-NE2 3.48Å
127	F	95.2	Very high	95	Very high	114 Å²	114	55.4 Å²	55.4	50%	0.5	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.5	-175.3	179.4	-119.4	0	0	0	111.9	A108 P129 Q132	A108-F127 HydrophobicContact CB-CD2 3.56Å; A108-F127 HydrophobicContact CB-CE2 3.96Å; F127-P129 HydrophobicContact CD1-CB 4.26Å; F127-P129 HydrophobicContact CE1-CB 3.94Å; F127-P129 WeakPolarHBondContact O-CD 3.4Å; F127-Q132 HydrophobicContact CE2-CB 4.17Å; F127-Q132 HydrophobicContact CZ-CB 4.28Å; F127-Q132 HydrophobicContact CZ-CG 4.48Å
128	D	92.8	Very high	94.8	Very high	16 Å²	16	54.2 Å²	54.2	9%	0.086	28%	0.281	C	S	.	.			trans	-90.2	109.4	164.8	178.5	2.1	0	0	0	109.6	Q130 R131 Q132 T133 H135	D128-Q130 PolarHBondContact O-N 3.08Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.31Å; D128-Q130 PolarHBondContact OD1-N 3.31Å; D128-R131 HydrophobicContact CB-CB 4.48Å; D128-R131 PolarHBondContact OD1-N 3.11Å; D128-R131 VanDerWaalsContact OD2-CB 3.26Å; D128-R131 WeakPolarHBondContact OD2-CB 3.22Å; D128-R131 VanDerWaalsContact OD2-CD 3.28Å; D128-R131 WeakPolarHBondContact OD2-CD 3.32Å; D128-R131 WeakPolarHBondContact OD2-CG 3.47Å; D128-R131 PolarHBondContact OD2-N 3.5Å; D128-Q132 WeakPolarHBondContact O-CA 3.41Å; D128-Q132 PolarHBondContact O-N 3.29Å; D128-T133 PolarHBondContact N-O 3.34Å; D128-H135 IonicContact OD2-NE2 2.75Å
129	P	89.8	Confident	94.5	Very high	99 Å²	99	53.1 Å²	53.1	64%	0.643	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.1	179.2	31.9	-36.7	0	0	0	114.1	F127	F127-P129 HydrophobicContact CD1-CB 4.26Å; F127-P129 HydrophobicContact CE1-CB 3.94Å; F127-P129 WeakPolarHBondContact O-CD 3.4Å
130	Q	89.1	Confident	93.9	Very high	183 Å²	183	57.5 Å²	57.5	86%	0.855	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-43.8	177.6	-58	-170.9	13.8	0	0	111.7	D128	D128-Q130 PolarHBondContact O-N 3.08Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.31Å; D128-Q130 PolarHBondContact OD1-N 3.31Å
131	R	87.9	Confident	93.4	Very high	108 Å²	108	66 Å²	66	41%	0.408	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-15.5	177.9	-65.2	177.3	179	162.9	5	114.2	D128 T133 S145	D128-R131 HydrophobicContact CB-CB 4.48Å; D128-R131 PolarHBondContact OD1-N 3.11Å; D128-R131 VanDerWaalsContact OD2-CB 3.26Å; D128-R131 WeakPolarHBondContact OD2-CB 3.22Å; D128-R131 VanDerWaalsContact OD2-CD 3.28Å; D128-R131 WeakPolarHBondContact OD2-CD 3.32Å; D128-R131 WeakPolarHBondContact OD2-CG 3.47Å; D128-R131 PolarHBondContact OD2-N 3.5Å; R131-T133 HydrophobicContact CB-CG2 3.95Å; R131-T133 WeakPolarHBondContact CB-OG1 3.3Å; R131-T133 PolarHBondContact O-N 2.94Å; R131-S145 PolarHBondContact NH1-OG 3.15Å
132	Q	93.1	Very high	93.2	Very high	110 Å²	110	64.8 Å²	64.8	51%	0.514	33%	0.331	S	S	.	.	S	Bend	trans	62.4	15.9	-169.2	-48.3	-174.9	-73.2	0	0	114.2	Q107 A108 F127 D128	Q107-Q132 CarbonylContact C-O 3.48Å; Q107-Q132 VanDerWaalsContact CA-O 3.27Å; Q107-Q132 WeakPolarHBondContact CA-O 3.38Å; A108-Q132 PolarHBondContact N-O 3.38Å; F127-Q132 HydrophobicContact CE2-CB 4.17Å; F127-Q132 HydrophobicContact CZ-CB 4.28Å; F127-Q132 HydrophobicContact CZ-CG 4.48Å; D128-Q132 WeakPolarHBondContact O-CA 3.41Å; D128-Q132 PolarHBondContact O-N 3.29Å
133	T	94.6	Very high	93.1	Very high	15 Å²	15	68 Å²	68	9%	0.092	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-96.6	-173.8	179.6	58.3	0	0	0	0	111.8	K106 D128 R131	K106-T133 WeakPolarHBondContact O-CA 3.26Å; K106-T133 WeakPolarHBondContact O-CB 3.28Å; K106-T133 WeakPolarHBondContact O-CG2 3.37Å; D128-T133 PolarHBondContact N-O 3.34Å; R131-T133 HydrophobicContact CB-CG2 3.95Å; R131-T133 WeakPolarHBondContact CB-OG1 3.3Å; R131-T133 PolarHBondContact O-N 2.94Å
134	V	96.3	Very high	93.1	Very high	6 Å²	6	69.9 Å²	69.9	4%	0.036	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	152.6	172.6	-63.3	0	0	0	0	113.9	L103 A108 V113 L125 T126 P146	L103-V134 HydrophobicContact CD1-CG2 4.33Å; A108-V134 HydrophobicContact CB-CG1 3.72Å; V113-V134 HydrophobicContact CG1-CG1 3.62Å; V113-V134 HydrophobicContact CG2-CG1 4.31Å; L125-V134 HydrophobicContact CD2-CB 4.43Å; L125-V134 HydrophobicContact CD2-CG2 4.32Å; T126-V134 CarbonylContact O-C 3.57Å; T126-V134 VanDerWaalsContact O-CA 3.26Å; T126-V134 WeakPolarHBondContact O-CA 3.44Å; V134-P146 HydrophobicContact CG2-CG 4.38Å; V134-P146 WeakPolarHBondContact O-CD 3.35Å
135	H	96.8	Very high	93.1	Very high	25 Å²	25	64.5 Å²	64.5	12%	0.116	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.2	165.9	-72.6	170.5	0	0	0	110.9	L125 T126 D128 Q143 F144	L125-H135 WeakPolarHBondContact CA-O 3.46Å; T126-H135 PolarHBondContact N-O 3.45Å; T126-H135 PolarHBondContact O-N 3.22Å; T126-H135 PolarHBondContact OG1-O 2.94Å; D128-H135 IonicContact OD2-NE2 2.75Å; H135-Q143 HydrophobicContact CB-CB 4.16Å; H135-Q143 HydrophobicContact CB-CG 4.44Å; H135-Q143 PolarHBondContact ND1-OE1 2.86Å; H135-F144 WeakPolarHBondContact CA-O 3.26Å
136	F	97.1	Very high	93.2	Very high	2 Å²	2	63 Å²	63	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	117.4	165	-68.7	-74.8	0	0	0	110.2	L97 F100 L103 Y116 L125 I138 Q143 F144 P146 V149	L97-F136 HydrophobicContact CD1-CB 3.97Å; L97-F136 HydrophobicContact CD1-CD1 4.18Å; L97-F136 HydrophobicContact CD1-CD2 3.73Å; L97-F136 HydrophobicContact CD1-CE2 4.23Å; L97-F136 HydrophobicContact CD1-CG 3.69Å; L97-F136 HydrophobicContact CD2-CB 4.29Å; L97-F136 HydrophobicContact CD2-CD1 3.5Å; L97-F136 HydrophobicContact CD2-CE1 3.86Å; L97-F136 HydrophobicContact CD2-CG 3.88Å; L97-F136 HydrophobicContact CG-CD1 4.44Å; L97-F136 HydrophobicContact CG-CG 4.43Å; F100-F136 HydrophobicContact CB-CE2 3.9Å; F100-F136 HydrophobicContact CB-CZ 3.63Å; L103-F136 HydrophobicContact CD1-CE1 4.38Å; L103-F136 HydrophobicContact CD1-CE2 4.25Å; L103-F136 HydrophobicContact CD1-CZ 3.65Å; Y116-F136 AromaticContact CE1-CE1 3.7Å; Y116-F136 HydrophobicContact CE1-CE1 3.7Å; Y116-F136 HydrophobicContact CE1-CZ 4.21Å; Y116-F136 HydrophobicContact CE2-CZ 4.43Å; Y116-F136 AromaticContact CZ-CE1 3.71Å; Y116-F136 AromaticContact CZ-CZ 3.88Å; Y116-F136 WeakPolarHBondContact OH-CE1 3.43Å; L125-F136 HydrophobicContact CD2-CD1 3.56Å; L125-F136 HydrophobicContact CD2-CE1 3.61Å; L125-F136 HydrophobicContact CD2-CG 4.21Å; L125-F136 HydrophobicContact CD2-CZ 4.3Å; F136-I138 HydrophobicContact CB-CD1 4.26Å; F136-Q143 VanDerWaalsContact O-CA 3.28Å; F136-Q143 WeakPolarHBondContact O-CA 3.33Å; F136-F144 PolarHBondContact N-O 2.28Å; F136-F144 PolarHBondContact O-N 2.53Å; F136-F144 VanDerWaalsContact O-N 3.1Å; F136-P146 HydrophobicContact CE2-CG 4.26Å; F136-V149 HydrophobicContact CD2-CG2 4.05Å; F136-V149 HydrophobicContact CE2-CG2 4.47Å
137	Q	95.6	Very high	93.3	Very high	33 Å²	33	61.7 Å²	61.7	15%	0.154	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114	172.4	-166.2	78.4	59.3	0	0	109.2	E124 T126 S139	E124-Q137 HydrophobicContact CB-CB 4.08Å; E124-Q137 HydrophobicContact CG-CB 3.92Å; E124-Q137 HydrophobicContact CG-CG 4.46Å; E124-Q137 PolarHBondContact O-N 3.16Å; T126-Q137 HydrophobicContact CG2-CB 4.07Å; T126-Q137 HydrophobicContact CG2-CG 4.44Å; Q137-S139 PolarHBondContact NE2-O 2.92Å
138	I	93.9	Very high	93.5	Very high	36 Å²	36	59.5 Å²	59.5	19%	0.185	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-37.7	-177.2	-56.7	-59.5	0	0	0	111.3	L74 A95 L97 F136 L142 F144	L74-I138 HydrophobicContact CB-CG2 3.95Å; L74-I138 HydrophobicContact CD1-CD1 4.01Å; L74-I138 HydrophobicContact CD1-CG1 3.84Å; A95-I138 HydrophobicContact CB-CG2 4.19Å; L97-I138 HydrophobicContact CD1-CD1 4.25Å; L97-I138 HydrophobicContact CD2-CD1 4.18Å; L97-I138 HydrophobicContact CG-CD1 4.4Å; F136-I138 HydrophobicContact CB-CD1 4.26Å; I138-L142 HydrophobicContact CB-CB 4.19Å; I138-L142 PolarHBondContact N-O 3.35Å; I138-F144 HydrophobicContact CG1-CD2 4Å; I138-F144 HydrophobicContact CG1-CE2 4.39Å
139	S	89.8	Confident	93.7	Very high	50 Å²	50	58.7 Å²	58.7	35%	0.35	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	172.2	169.7	78.2	0	0	0	0	108.7	Q137 Q141 L142	Q137-S139 PolarHBondContact NE2-O 2.92Å; S139-Q141 PolarHBondContact O-N 3.14Å; S139-Q141 PolarHBondContact OG-N 3.09Å; S139-L142 PolarHBondContact N-O 2.97Å; S139-L142 PolarHBondContact O-N 3.2Å; S139-L142 VanDerWaalsContact O-N 3.08Å; S139-L142 PolarHBondContact OG-N 2.94Å
140	S	86.4	Confident	94.2	Very high	118 Å²	118	54 Å²	54	83%	0.825	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.7	177.2	53.7	0	0	0	0	115.3
141	Q	86.4	Confident	94.6	Very high	179 Å²	179	45.6 Å²	45.6	84%	0.836	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-6.6	177.2	-64.1	179.8	-8	0	0	113.5	S139	S139-Q141 PolarHBondContact O-N 3.14Å; S139-Q141 PolarHBondContact OG-N 3.09Å
142	L	91.1	Very high	95.1	Very high	64 Å²	64	41 Å²	41	34%	0.335	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	110.5	-175.6	-65.4	177.2	0	0	0	110.7	I138 S139 F144	I138-L142 HydrophobicContact CB-CB 4.19Å; I138-L142 PolarHBondContact N-O 3.35Å; S139-L142 PolarHBondContact N-O 2.97Å; S139-L142 PolarHBondContact O-N 3.2Å; S139-L142 VanDerWaalsContact O-N 3.08Å; S139-L142 PolarHBondContact OG-N 2.94Å; L142-F144 HydrophobicContact CB-CE2 4.27Å; L142-F144 HydrophobicContact CD2-CZ 4.38Å
143	Q	94.6	Very high	95.4	Very high	85 Å²	85	35.9 Å²	35.9	40%	0.397	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	150.6	165.2	-72.3	-177.4	-6.8	0	0	109.1	T126 H135 F136	T126-Q143 PolarHBondContact OG1-NE2 3.48Å; H135-Q143 HydrophobicContact CB-CB 4.16Å; H135-Q143 HydrophobicContact CB-CG 4.44Å; H135-Q143 PolarHBondContact ND1-OE1 2.86Å; F136-Q143 VanDerWaalsContact O-CA 3.28Å; F136-Q143 WeakPolarHBondContact O-CA 3.33Å
144	F	96.1	Very high	95.6	Very high	44 Å²	44	35.2 Å²	35.2	19%	0.193	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.8	169.6	-63.5	-74.3	0	0	0	111.3	L74 H135 F136 I138 L142 E148 V149 M152	L74-F144 HydrophobicContact CD1-CD2 3.69Å; L74-F144 HydrophobicContact CD1-CE2 3.77Å; H135-F144 WeakPolarHBondContact CA-O 3.26Å; F136-F144 PolarHBondContact N-O 2.28Å; F136-F144 PolarHBondContact O-N 2.53Å; F136-F144 VanDerWaalsContact O-N 3.1Å; I138-F144 HydrophobicContact CG1-CD2 4Å; I138-F144 HydrophobicContact CG1-CE2 4.39Å; L142-F144 HydrophobicContact CB-CE2 4.27Å; L142-F144 HydrophobicContact CD2-CZ 4.38Å; F144-E148 VanDerWaalsContact CA-OE2 3.31Å; F144-E148 WeakPolarHBondContact CA-OE2 3.48Å; F144-E148 HydrophobicContact CB-CB 4.42Å; F144-E148 HydrophobicContact CD1-CB 4.4Å; F144-V149 HydrophobicContact CB-CG2 3.87Å; F144-M152 HydrophobicContact CD1-CE 3.43Å; F144-M152 VanDerWaalsContact CD1-CE 3.43Å; F144-M152 HydrophobicContact CD2-CE 4.18Å; F144-M152 HydrophobicContact CE1-CE 3.49Å; F144-M152 VanDerWaalsContact CE1-CE 3.49Å; F144-M152 HydrophobicContact CE2-CE 4.24Å; F144-M152 HydrophobicContact CG-CE 3.79Å; F144-M152 HydrophobicContact CZ-CE 3.91Å
145	S	97.4	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.			trans	-77.1	157.4	170.6	95.1	0	0	0	0	111.7	R131 E147 E148 V149	R131-S145 PolarHBondContact NH1-OG 3.15Å; S145-E147 VanDerWaalsContact CB-OE2 3.3Å; S145-E147 WeakPolarHBondContact CB-OE2 3.5Å; S145-E147 PolarHBondContact O-N 3.03Å; S145-E147 VanDerWaalsContact O-N 3.16Å; S145-E147 PolarHBondContact OG-N 3.41Å; S145-E147 PolarHBondContact OG-OE2 3.35Å; S145-E148 PolarHBondContact N-OE2 3.04Å; S145-E148 WeakPolarHBondContact O-CB 3.13Å; S145-E148 PolarHBondContact O-N 3.28Å; S145-E148 PolarHBondContact OG-N 2.71Å; S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 3.1Å
146	P	98.1	Very high	95.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-53.1	-34.1	175.7	-27.6	35.7	0	0	0	113.6	L103 L104 V134 F136 L150	L103-P146 HydrophobicContact CB-CB 4.08Å; L103-P146 HydrophobicContact CB-CG 3.68Å; L103-P146 HydrophobicContact CD1-CG 4.37Å; L104-P146 HydrophobicContact CD2-CB 4.02Å; V134-P146 HydrophobicContact CG2-CG 4.38Å; V134-P146 WeakPolarHBondContact O-CD 3.35Å; F136-P146 HydrophobicContact CE2-CG 4.26Å; P146-L150 WeakPolarHBondContact O-CB 3.19Å; P146-L150 PolarHBondContact O-N 2.81Å
147	E	98.2	Very high	95.8	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-69.3	-36.7	176.4	-58.7	70.7	-151	0	0	112.2	L104 G105 S145 G151 A187 A191 M194	L104-E147 WeakPolarHBondContact CA-OE1 3.32Å; L104-E147 HydrophobicContact CD2-CG 4.06Å; G105-E147 PolarHBondContact N-OE1 2.68Å; S145-E147 VanDerWaalsContact CB-OE2 3.3Å; S145-E147 WeakPolarHBondContact CB-OE2 3.5Å; S145-E147 PolarHBondContact O-N 3.03Å; S145-E147 VanDerWaalsContact O-N 3.16Å; S145-E147 PolarHBondContact OG-N 3.41Å; S145-E147 PolarHBondContact OG-OE2 3.35Å; E147-G151 PolarHBondContact O-N 2.83Å; E147-A187 HydrophobicContact CG-CB 3.75Å; E147-A191 VanDerWaalsContact O-CB 3.24Å; E147-A191 WeakPolarHBondContact O-CB 3.31Å; E147-M194 VanDerWaalsContact C-CE 3.48Å; E147-M194 HydrophobicContact CB-CE 3.99Å; E147-M194 VanDerWaalsContact O-CE 3.23Å; E147-M194 WeakPolarHBondContact O-CE 3.24Å
148	E	98	Very high	95.9	Very high	67 Å²	67	38.8 Å²	38.8	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-69.8	-43.4	176.2	-66.9	177.8	135.7	0	0	110.8	F144 S145 L150 G151 M152 M194	F144-E148 VanDerWaalsContact CA-OE2 3.31Å; F144-E148 WeakPolarHBondContact CA-OE2 3.48Å; F144-E148 HydrophobicContact CB-CB 4.42Å; F144-E148 HydrophobicContact CD1-CB 4.4Å; S145-E148 PolarHBondContact N-OE2 3.04Å; S145-E148 WeakPolarHBondContact O-CB 3.13Å; S145-E148 PolarHBondContact O-N 3.28Å; S145-E148 PolarHBondContact OG-N 2.71Å; E148-L150 VanDerWaalsContact C-N 3.33Å; E148-L150 PolarHBondContact O-N 2.96Å; E148-G151 CarbonylContact O-C 3.6Å; E148-G151 WeakPolarHBondContact O-CA 3.36Å; E148-G151 PolarHBondContact O-N 2.96Å; E148-M152 VanDerWaalsContact O-CG 3.22Å; E148-M152 WeakPolarHBondContact O-CG 3.07Å; E148-M152 PolarHBondContact O-N 3.09Å; E148-M194 HydrophobicContact CB-CE 4.43Å; E148-M194 HydrophobicContact CG-CE 3.95Å; E148-M194 HydrophobicContact CG-SD 4.06Å
149	V	98.4	Very high	96.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-42.7	174.1	-175.6	0	0	0	0	110.5	V72 L97 F100 F136 F144 S145 G151 M152 V153	V72-V149 HydrophobicContact CB-CG1 4.33Å; V72-V149 HydrophobicContact CG2-CG1 3.97Å; L97-V149 HydrophobicContact CB-CG1 4.29Å; L97-V149 HydrophobicContact CD1-CB 4.41Å; L97-V149 HydrophobicContact CD1-CG1 3.92Å; L97-V149 HydrophobicContact CD1-CG2 3.55Å; F100-V149 HydrophobicContact CD1-CG1 4.09Å; F100-V149 HydrophobicContact CD2-CB 4.39Å; F100-V149 HydrophobicContact CD2-CG1 4.32Å; F100-V149 HydrophobicContact CE1-CG1 3.68Å; F100-V149 HydrophobicContact CE2-CB 4.09Å; F100-V149 HydrophobicContact CE2-CG1 3.92Å; F100-V149 HydrophobicContact CG-CG1 4.41Å; F100-V149 HydrophobicContact CZ-CB 4.25Å; F100-V149 HydrophobicContact CZ-CG1 3.59Å; F136-V149 HydrophobicContact CD2-CG2 4.05Å; F136-V149 HydrophobicContact CE2-CG2 4.47Å; F144-V149 HydrophobicContact CB-CG2 3.87Å; S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 3.1Å; V149-G151 VanDerWaalsContact C-N 3.33Å; V149-G151 PolarHBondContact O-N 3.3Å; V149-M152 WeakPolarHBondContact O-CB 3.14Å; V149-M152 PolarHBondContact O-N 3.08Å; V149-V153 PolarHBondContact O-N 3.24Å; V149-V153 VanDerWaalsContact O-N 3.14Å
150	L	98.7	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-40.3	171.5	-178.7	57.3	0	0	0	111.8	L40 F100 L104 P146 E148 M152 V153 L154 V188 A191	L40-L150 HydrophobicContact CD1-CD1 3.66Å; L40-L150 HydrophobicContact CD2-CD1 3.74Å; L40-L150 HydrophobicContact CD2-CD2 4.13Å; L40-L150 HydrophobicContact CG-CD1 4.29Å; F100-L150 HydrophobicContact CE2-CB 4.01Å; L104-L150 HydrophobicContact CD1-CD2 3.83Å; L104-L150 HydrophobicContact CD2-CB 4.31Å; L104-L150 HydrophobicContact CD2-CD2 3.94Å; P146-L150 WeakPolarHBondContact O-CB 3.19Å; P146-L150 PolarHBondContact O-N 2.81Å; E148-L150 VanDerWaalsContact C-N 3.33Å; E148-L150 PolarHBondContact O-N 2.96Å; L150-M152 VanDerWaalsContact C-N 3.26Å; L150-M152 PolarHBondContact O-N 2.98Å; L150-V153 PolarHBondContact O-N 2.99Å; L150-V153 VanDerWaalsContact O-N 3.09Å; L150-L154 HydrophobicContact CD1-CD1 4.16Å; L150-L154 HydrophobicContact CD1-CG 4.04Å; L150-L154 HydrophobicContact CD2-CD1 4.38Å; L150-L154 HydrophobicContact CG-CD1 3.87Å; L150-L154 HydrophobicContact CG-CG 4.23Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.05Å; L150-V188 HydrophobicContact CD2-CB 4.42Å; L150-V188 HydrophobicContact CD2-CG1 4.47Å; L150-V188 HydrophobicContact CD2-CG2 4Å; L150-A191 HydrophobicContact CB-CB 3.71Å; L150-A191 HydrophobicContact CD2-CB 3.58Å; L150-A191 HydrophobicContact CG-CB 3.53Å
151	G	98.6	Very high	97	Very high	6 Å²	6	30.9 Å²	30.9	6%	0.062	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-35.5	174.8	0	0	0	0	0	112.5	E147 E148 V149 N155 A191	E147-G151 PolarHBondContact O-N 2.83Å; E148-G151 CarbonylContact O-C 3.6Å; E148-G151 WeakPolarHBondContact O-CA 3.36Å; E148-G151 PolarHBondContact O-N 2.96Å; V149-G151 VanDerWaalsContact C-N 3.33Å; V149-G151 PolarHBondContact O-N 3.3Å; G151-N155 WeakPolarHBondContact O-CB 3.38Å; G151-N155 PolarHBondContact O-N 3.08Å; G151-A191 WeakPolarHBondContact CA-O 3.49Å
152	M	98.4	Very high	97.4	Very high	12 Å²	12	24.2 Å²	24.2	6%	0.059	12%	0.118	C	C	.	.	H	α-helix	trans	-67.1	-41.9	172.3	-46.1	-161.7	-160.2	0	0	112	L74 R79 F81 F144 E148 V149 L150 N155 Y156	L74-M152 HydrophobicContact CD2-SD 4.05Å; R79-M152 VanDerWaalsContact CD-SD 3.56Å; F81-M152 HydrophobicContact CE1-CB 3.67Å; F81-M152 HydrophobicContact CZ-CB 3.94Å; F144-M152 HydrophobicContact CD1-CE 3.43Å; F144-M152 VanDerWaalsContact CD1-CE 3.43Å; F144-M152 HydrophobicContact CD2-CE 4.18Å; F144-M152 HydrophobicContact CE1-CE 3.49Å; F144-M152 VanDerWaalsContact CE1-CE 3.49Å; F144-M152 HydrophobicContact CE2-CE 4.24Å; F144-M152 HydrophobicContact CG-CE 3.79Å; F144-M152 HydrophobicContact CZ-CE 3.91Å; E148-M152 VanDerWaalsContact O-CG 3.22Å; E148-M152 WeakPolarHBondContact O-CG 3.07Å; E148-M152 PolarHBondContact O-N 3.09Å; V149-M152 WeakPolarHBondContact O-CB 3.14Å; V149-M152 PolarHBondContact O-N 3.08Å; L150-M152 VanDerWaalsContact C-N 3.26Å; L150-M152 PolarHBondContact O-N 2.98Å; M152-N155 PolarHBondContact O-N 3.35Å; M152-Y156 PolarHBondContact O-N 2.96Å
153	V	98.6	Very high	97.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-43.3	176.4	173.8	0	0	0	0	111.5	M45 V70 V72 F100 V149 L150 Y156 S157	M45-V153 HydrophobicContact CE-CG1 4.26Å; M45-V153 HydrophobicContact SD-CG1 3.66Å; V70-V153 HydrophobicContact CG1-CG1 4.12Å; V70-V153 HydrophobicContact CG1-CG2 4.22Å; V72-V153 HydrophobicContact CG2-CG2 3.51Å; F100-V153 HydrophobicContact CZ-CG2 4.12Å; V149-V153 PolarHBondContact O-N 3.24Å; V149-V153 VanDerWaalsContact O-N 3.14Å; L150-V153 PolarHBondContact O-N 2.99Å; L150-V153 VanDerWaalsContact O-N 3.09Å; V153-Y156 PolarHBondContact O-N 3.24Å; V153-S157 PolarHBondContact O-N 3.05Å
154	L	98.7	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71	-31	178.1	-67.3	172.3	0	0	0	112.5	V38 L150 S157 R158 I174 A191 A192 A195 L197	V38-L154 HydrophobicContact CB-CD2 4.46Å; V38-L154 HydrophobicContact CG1-CD2 4.16Å; V38-L154 HydrophobicContact CG2-CD2 4.33Å; L150-L154 HydrophobicContact CD1-CD1 4.16Å; L150-L154 HydrophobicContact CD1-CG 4.04Å; L150-L154 HydrophobicContact CD2-CD1 4.38Å; L150-L154 HydrophobicContact CG-CD1 3.87Å; L150-L154 HydrophobicContact CG-CG 4.23Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.05Å; L154-S157 WeakPolarHBondContact CA-OG 3.3Å; L154-S157 PolarHBondContact O-OG 3.43Å; L154-R158 WeakPolarHBondContact O-CB 3.41Å; L154-R158 PolarHBondContact O-N 3.36Å; L154-I174 HydrophobicContact CD1-CD1 4.21Å; L154-I174 HydrophobicContact CD2-CD1 4.12Å; L154-A191 HydrophobicContact CD1-CB 4Å; L154-A192 HydrophobicContact CD1-CB 4.13Å; L154-A195 HydrophobicContact CB-CB 3.71Å; L154-L197 HydrophobicContact CB-CD1 4.2Å
155	N	98.3	Very high	97.4	Very high	52 Å²	52	22.9 Å²	22.9	28%	0.278	11%	0.113	S	C	.	.	H	α-helix	trans	-67.6	-38.1	170.2	-177.4	-121.4	0	0	0	111.2	G151 M152 S159 A195	G151-N155 WeakPolarHBondContact O-CB 3.38Å; G151-N155 PolarHBondContact O-N 3.08Å; M152-N155 PolarHBondContact O-N 3.35Å; N155-S159 PolarHBondContact O-N 3.06Å; N155-A195 HydrophobicContact CB-CB 4.09Å
156	Y	98.4	Very high	97.2	Very high	32 Å²	32	31.1 Å²	31.1	13%	0.125	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-43.9	173.2	-176.3	-119.7	0	0	0	112.4	M45 T68 F81 M152 V153 R158 S159 L160	M45-Y156 HydrophobicContact CE-CD1 3.9Å; M45-Y156 HydrophobicContact CE-CE1 4.49Å; T68-Y156 HydrophobicContact CG2-CD1 4.47Å; T68-Y156 HydrophobicContact CG2-CE1 3.9Å; F81-Y156 HydrophobicContact CB-CD1 3.39Å; F81-Y156 HydrophobicContact CB-CD2 4Å; F81-Y156 HydrophobicContact CB-CE1 3.52Å; F81-Y156 HydrophobicContact CB-CE2 4.14Å; F81-Y156 HydrophobicContact CB-CG 3.64Å; F81-Y156 HydrophobicContact CD1-CD1 4.49Å; F81-Y156 HydrophobicContact CD1-CG 4.29Å; F81-Y156 AromaticContact CD2-CD2 3.94Å; F81-Y156 HydrophobicContact CD2-CD2 3.94Å; F81-Y156 HydrophobicContact CD2-CE2 4.49Å; F81-Y156 HydrophobicContact CD2-CG 4.02Å; F81-Y156 AromaticContact CG-CD1 3.96Å; F81-Y156 HydrophobicContact CG-CD1 3.96Å; F81-Y156 HydrophobicContact CG-CD2 4.08Å; F81-Y156 HydrophobicContact CG-CE1 4.49Å; F81-Y156 AromaticContact CG-CG 3.72Å; F81-Y156 HydrophobicContact CG-CG 3.72Å; M152-Y156 PolarHBondContact O-N 2.96Å; V153-Y156 PolarHBondContact O-N 3.24Å; Y156-R158 VanDerWaalsContact C-N 3.28Å; Y156-R158 PolarHBondContact O-N 3.12Å; Y156-S159 WeakPolarHBondContact CD2-OG 3.02Å; Y156-S159 PolarHBondContact O-N 2.97Å; Y156-S159 PolarHBondContact O-OG 3.14Å; Y156-L160 HydrophobicContact CD1-CD1 4.34Å; Y156-L160 HydrophobicContact CE1-CD1 3.91Å; Y156-L160 HydrophobicContact CE1-CG 4.3Å; Y156-L160 HydrophobicContact CE2-CD2 4.21Å; Y156-L160 HydrophobicContact CE2-CG 4.42Å; Y156-L160 PolarHBondContact O-N 2.8Å
157	S	98.3	Very high	96.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-38	176.7	70.5	0	0	0	0	112	V38 V153 L154 L160 A161	V38-S157 WeakPolarHBondContact CG2-OG 3.41Å; V153-S157 PolarHBondContact O-N 3.05Å; L154-S157 WeakPolarHBondContact CA-OG 3.3Å; L154-S157 PolarHBondContact O-OG 3.43Å; S157-L160 PolarHBondContact O-N 2.88Å; S157-A161 PolarHBondContact O-N 3.42Å; S157-A161 VanDerWaalsContact O-N 3.17Å
158	R	97.9	Very high	96.6	Very high	57 Å²	57	36.3 Å²	36.3	22%	0.215	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-45.4	171	-165.5	-164.1	85.8	-173.7	15.8	111.3	M36 L154 Y156 L160 A161 E162 I169 A195 L197	M36-R158 HydrophobicContact SD-CB 4.34Å; M36-R158 HydrophobicContact SD-CG 4.25Å; L154-R158 WeakPolarHBondContact O-CB 3.41Å; L154-R158 PolarHBondContact O-N 3.36Å; Y156-R158 VanDerWaalsContact C-N 3.28Å; Y156-R158 PolarHBondContact O-N 3.12Å; R158-L160 VanDerWaalsContact C-N 3.3Å; R158-L160 PolarHBondContact O-N 3.36Å; R158-A161 CarbonylContact O-C 3.52Å; R158-A161 WeakPolarHBondContact O-CA 3.28Å; R158-A161 WeakPolarHBondContact O-CB 3.42Å; R158-A161 PolarHBondContact O-N 3.16Å; R158-E162 HydrophobicContact CG-CG 4.32Å; R158-E162 IonicContact CZ-OE1 2.77Å; R158-E162 IonicContact CZ-OE2 2.63Å; R158-E162 VanDerWaalsContact CZ-OE2 3.3Å; R158-E162 VanDerWaalsContact NE-CD 3.31Å; R158-E162 IonicContact NE-OE1 3.75Å; R158-E162 PolarHBondContact NE-OE1 3.34Å; R158-E162 IonicContact NE-OE2 3.22Å; R158-E162 PolarHBondContact NE-OE2 3.04Å; R158-E162 IonicContact NH2-OE1 2.77Å; R158-E162 PolarHBondContact NH2-OE1 3.19Å; R158-E162 IonicContact NH2-OE2 3.91Å; R158-E162 PolarHBondContact NH2-OE2 3.31Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 2.93Å; R158-I169 WeakPolarHBondContact CD-O 3.05Å; R158-I169 HydrophobicContact CG-CB 4.21Å; R158-A195 PolarHBondContact NH1-O 2.96Å; R158-L197 HydrophobicContact CB-CD2 4.12Å; R158-L197 HydrophobicContact CG-CD2 3.65Å; R158-L197 HydrophobicContact CG-CG 4.49Å
159	S	97.8	Very high	96.4	Very high	32 Å²	32	33.3 Å²	33.3	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-36.3	177.9	74.6	0	0	0	0	113.4	N155 Y156 E162 D163	N155-S159 PolarHBondContact O-N 3.06Å; Y156-S159 WeakPolarHBondContact CD2-OG 3.02Å; Y156-S159 PolarHBondContact O-N 2.97Å; Y156-S159 PolarHBondContact O-OG 3.14Å; S159-E162 PolarHBondContact O-N 3.41Å; S159-D163 WeakPolarHBondContact O-CB 3.39Å; S159-D163 VanDerWaalsContact O-CG 3.25Å; S159-D163 PolarHBondContact O-N 3.04Å
160	L	97.8	Very high	96.2	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-40.2	173.2	-64.4	179.3	0	0	0	111.9	V59 N61 K62 T68 Y156 S157 R158 F164	V59-L160 HydrophobicContact CG1-CB 4.08Å; V59-L160 WeakPolarHBondContact CG1-O 3.23Å; N61-L160 HydrophobicContact CB-CD1 4.06Å; K62-L160 HydrophobicContact CG-CD2 3.89Å; T68-L160 HydrophobicContact CG2-CD1 4.48Å; Y156-L160 HydrophobicContact CD1-CD1 4.34Å; Y156-L160 HydrophobicContact CE1-CD1 3.91Å; Y156-L160 HydrophobicContact CE1-CG 4.3Å; Y156-L160 HydrophobicContact CE2-CD2 4.21Å; Y156-L160 HydrophobicContact CE2-CG 4.42Å; Y156-L160 PolarHBondContact O-N 2.8Å; S157-L160 PolarHBondContact O-N 2.88Å; R158-L160 VanDerWaalsContact C-N 3.3Å; R158-L160 PolarHBondContact O-N 3.36Å; L160-F164 WeakPolarHBondContact O-CB 3.39Å; L160-F164 PolarHBondContact O-N 3.23Å; L160-F164 VanDerWaalsContact O-N 3.14Å
161	A	96.8	Very high	96.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.8	-40.1	173.7	0	0	0	0	0	112	M36 V47 I49 S157 R158 F164 A165 I169	M36-A161 HydrophobicContact CB-CB 4.16Å; M36-A161 HydrophobicContact CE-CB 3.84Å; M36-A161 HydrophobicContact SD-CB 4.07Å; V47-A161 HydrophobicContact CG1-CB 4.02Å; I49-A161 HydrophobicContact CD1-CB 4.2Å; S157-A161 PolarHBondContact O-N 3.42Å; S157-A161 VanDerWaalsContact O-N 3.17Å; R158-A161 CarbonylContact O-C 3.52Å; R158-A161 WeakPolarHBondContact O-CA 3.28Å; R158-A161 WeakPolarHBondContact O-CB 3.42Å; R158-A161 PolarHBondContact O-N 3.16Å; A161-F164 PolarHBondContact O-N 3.1Å; A161-A165 WeakPolarHBondContact O-CA 3.34Å; A161-A165 WeakPolarHBondContact O-CB 3.33Å; A161-A165 PolarHBondContact O-N 2.96Å; A161-I169 HydrophobicContact CB-CG1 4.09Å
162	E	95.9	Very high	96	Very high	40 Å²	40	39.6 Å²	39.6	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-45.5	176.4	-70	177.3	130.3	0	0	111.4	R158 S159 F164 A165 E166 P168 I169	R158-E162 HydrophobicContact CG-CG 4.32Å; R158-E162 IonicContact CZ-OE1 2.77Å; R158-E162 IonicContact CZ-OE2 2.63Å; R158-E162 VanDerWaalsContact CZ-OE2 3.3Å; R158-E162 VanDerWaalsContact NE-CD 3.31Å; R158-E162 IonicContact NE-OE1 3.75Å; R158-E162 PolarHBondContact NE-OE1 3.34Å; R158-E162 IonicContact NE-OE2 3.22Å; R158-E162 PolarHBondContact NE-OE2 3.04Å; R158-E162 IonicContact NH2-OE1 2.77Å; R158-E162 PolarHBondContact NH2-OE1 3.19Å; R158-E162 IonicContact NH2-OE2 3.91Å; R158-E162 PolarHBondContact NH2-OE2 3.31Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 2.93Å; S159-E162 PolarHBondContact O-N 3.41Å; E162-F164 VanDerWaalsContact C-N 3.34Å; E162-F164 PolarHBondContact O-N 2.9Å; E162-A165 PolarHBondContact O-N 3.14Å; E162-E166 PolarHBondContact O-N 3.22Å; E162-P168 WeakPolarHBondContact OE1-CA 3.45Å; E162-I169 HydrophobicContact CG-CB 3.88Å; E162-I169 HydrophobicContact CG-CG1 3.77Å; E162-I169 PolarHBondContact OE1-N 3.16Å; E162-I169 VanDerWaalsContact OE1-N 3.12Å
163	D	95.1	Very high	96.1	Very high	98 Å²	98	39 Å²	39	52%	0.524	19%	0.192	S	C	.	.	H	α-helix	trans	-57.1	-42.7	174.4	-75.2	-15.3	0	0	0	111.4	K62 S159	K62-D163 VanDerWaalsContact CE-OD2 3.31Å; K62-D163 WeakPolarHBondContact CE-OD2 3.41Å; K62-D163 IonicContact NZ-OD2 2.85Å; K62-D163 PolarHBondContact NZ-OD2 3.24Å; S159-D163 WeakPolarHBondContact O-CB 3.39Å; S159-D163 VanDerWaalsContact O-CG 3.25Å; S159-D163 PolarHBondContact O-N 3.04Å
164	F	93.4	Very high	96.1	Very high	64 Å²	64	38.9 Å²	38.9	28%	0.281	19%	0.192	S	C	.	.	H	α-helix	trans	-79.6	-30.8	178.4	-175.6	-80.1	0	0	0	113.4	I49 K51 V59 L160 A161 E162	I49-F164 HydrophobicContact CG2-CD1 3.61Å; I49-F164 HydrophobicContact CG2-CE1 3.56Å; K51-F164 PolarHBondContact NZ-O 3.38Å; V59-F164 HydrophobicContact CG1-CB 3.88Å; V59-F164 HydrophobicContact CG1-CD2 4.38Å; V59-F164 HydrophobicContact CG1-CG 4.27Å; V59-F164 HydrophobicContact CG2-CB 4.13Å; V59-F164 HydrophobicContact CG2-CD1 4.08Å; V59-F164 HydrophobicContact CG2-CD2 4.45Å; V59-F164 HydrophobicContact CG2-CG 3.99Å; L160-F164 WeakPolarHBondContact O-CB 3.39Å; L160-F164 PolarHBondContact O-N 3.23Å; L160-F164 VanDerWaalsContact O-N 3.14Å; A161-F164 PolarHBondContact O-N 3.1Å; E162-F164 VanDerWaalsContact C-N 3.34Å; E162-F164 PolarHBondContact O-N 2.9Å
165	A	92.6	Very high	96.1	Very high	2 Å²	2	39 Å²	39	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-77.8	-26.2	-177.6	0	0	0	0	0	113	A34 I49 K51 A161 E162 Q167 I169	A34-A165 HydrophobicContact CB-CB 4.39Å; I49-A165 HydrophobicContact CD1-CB 3.58Å; K51-A165 HydrophobicContact CD-CB 4.41Å; K51-A165 VanDerWaalsContact NZ-C 3.27Å; K51-A165 PolarHBondContact NZ-O 3.37Å; A161-A165 WeakPolarHBondContact O-CA 3.34Å; A161-A165 WeakPolarHBondContact O-CB 3.33Å; A161-A165 PolarHBondContact O-N 2.96Å; E162-A165 PolarHBondContact O-N 3.14Å; A165-Q167 HydrophobicContact CB-CG 3.86Å; A165-Q167 PolarHBondContact O-N 3.34Å; A165-I169 HydrophobicContact CB-CD1 3.8Å; A165-I169 HydrophobicContact CB-CG1 4.27Å
166	E	92.5	Very high	96.1	Very high	174 Å²	174	36.6 Å²	36.6	81%	0.813	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	24.9	-167.9	-56	173.1	136.2	0	0	112.1	K51 E162	K51-E166 IonicContact NZ-OE2 3.86Å; E162-E166 PolarHBondContact O-N 3.22Å
167	Q	91.4	Very high	96.1	Very high	50 Å²	50	36.1 Å²	36.1	23%	0.234	18%	0.18	C	C	.	.	S	Bend	trans	-152	157.6	177.3	76.6	-162.3	-107.6	0	0	111	A34 A165 I169	A34-Q167 VanDerWaalsContact CB-CD 3.46Å; A34-Q167 HydrophobicContact CB-CG 4.07Å; A34-Q167 VanDerWaalsContact CB-OE1 3.32Å; A165-Q167 HydrophobicContact CB-CG 3.86Å; A165-Q167 PolarHBondContact O-N 3.34Å; Q167-I169 HydrophobicContact CG-CD1 4.29Å
168	P	92.9	Very high	96	Very high	68 Å²	68	36.1 Å²	36.1	44%	0.442	18%	0.18	S	C	.	.			trans	-64	141.7	175.3	-18.9	31.7	0	0	0	112.3	T32 E162	T32-P168 WeakPolarHBondContact CB-O 3.28Å; T32-P168 HydrophobicContact CG2-CB 4.08Å; T32-P168 HydrophobicContact CG2-CG 4.42Å; T32-P168 WeakPolarHBondContact CG2-O 3.31Å; E162-P168 WeakPolarHBondContact OE1-CA 3.45Å
169	I	94.1	Very high	96	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	17%	0.17	C	C	.	.			trans	-113.7	123.2	-179.3	-59	-63	0	0	0	109.7	A34 M36 I49 R158 A161 E162 A165 Q167	A34-I169 HydrophobicContact CB-CD1 3.5Å; A34-I169 VanDerWaalsContact CB-CD1 3.5Å; M36-I169 HydrophobicContact CB-CG2 4.05Å; M36-I169 HydrophobicContact CG-CG2 3.67Å; M36-I169 HydrophobicContact SD-CG2 3.58Å; M36-I169 VanDerWaalsContact SD-CG2 3.58Å; I49-I169 HydrophobicContact CD1-CD1 4.01Å; R158-I169 WeakPolarHBondContact CD-O 3.05Å; R158-I169 HydrophobicContact CG-CB 4.21Å; A161-I169 HydrophobicContact CB-CG1 4.09Å; E162-I169 HydrophobicContact CG-CB 3.88Å; E162-I169 HydrophobicContact CG-CG1 3.77Å; E162-I169 PolarHBondContact OE1-N 3.16Å; E162-I169 VanDerWaalsContact OE1-N 3.12Å; A165-I169 HydrophobicContact CB-CD1 3.8Å; A165-I169 HydrophobicContact CB-CG1 4.27Å; Q167-I169 HydrophobicContact CG-CD1 4.29Å
170	K	93.4	Very high	96	Very high	105 Å²	105	32.2 Å²	32.2	46%	0.457	16%	0.161	S	C	.	.			trans	-112.6	-40.5	-178.2	-60.9	174.1	-167.8	140.6	0	112.5	T32 K198	T32-K170 HydrophobicContact CG2-CD 4.44Å; T32-K170 VanDerWaalsContact CG2-NZ 3.33Å; T32-K170 WeakPolarHBondContact OG1-CD 3.21Å; T32-K170 PolarHBondContact OG1-NZ 2.91Å; K170-K198 PolarHBondContact O-N 2.8Å
171	D	96.6	Very high	96	Very high	34 Å²	34	32.3 Å²	32.3	18%	0.182	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.4	-170.6	-80.9	-2.2	0	0	0	111.7	V35 M36 K198 L200	V35-D171 HydrophobicContact CB-CB 4.45Å; V35-D171 HydrophobicContact CG1-CB 3.83Å; M36-D171 PolarHBondContact N-O 2.86Å; D171-K198 WeakPolarHBondContact CA-O 3.38Å; D171-K198 WeakPolarHBondContact OD1-CB 3.4Å; D171-K198 VanDerWaalsContact OD1-CD 3.26Å; D171-K198 WeakPolarHBondContact OD1-CD 3.42Å; D171-K198 VanDerWaalsContact OD1-CG 3.28Å; D171-K198 WeakPolarHBondContact OD1-CG 3.36Å; D171-K198 IonicContact OD1-NZ 3.43Å; D171-K198 PolarHBondContact OD1-NZ 3.25Å; D171-K198 IonicContact OD2-NZ 3.67Å; D171-K198 PolarHBondContact OD2-NZ 2.8Å; D171-L200 HydrophobicContact CB-CD1 4.05Å; D171-L200 HydrophobicContact CB-CD2 4.17Å; D171-L200 HydrophobicContact CB-CG 4.05Å
172	A	98.1	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.6	-175.4	0	0	0	0	0	113.4	M36 L197 K198 V199 L200	M36-A172 HydrophobicContact CG-CB 3.54Å; M36-A172 WeakPolarHBondContact O-CA 3.33Å; M36-A172 HydrophobicContact SD-CB 4.14Å; A172-L197 HydrophobicContact CB-CD1 4.41Å; A172-L197 HydrophobicContact CB-CD2 4.12Å; A172-K198 PolarHBondContact N-O 3.32Å; A172-V199 CarbonylContact O-C 3.54Å; A172-V199 WeakPolarHBondContact O-CA 3.48Å; A172-L200 PolarHBondContact O-N 3.15Å
173	V	98.8	Very high	96	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.1	160.4	172.4	0	0	0	0	108.7	M36 S37 V38 L200 Q201 I203 A419 A423 L426	M36-V173 PolarHBondContact O-N 3.47Å; S37-V173 CarbonylContact C-O 3.49Å; S37-V173 WeakPolarHBondContact CA-O 3.16Å; S37-V173 WeakPolarHBondContact CB-O 3.5Å; V38-V173 PolarHBondContact N-O 3.3Å; V173-L200 HydrophobicContact CG2-CB 3.95Å; V173-Q201 WeakPolarHBondContact CA-O 3.38Å; V173-Q201 HydrophobicContact CG1-CB 4.49Å; V173-Q201 HydrophobicContact CG2-CB 4.25Å; V173-I203 HydrophobicContact CG1-CB 4.06Å; V173-I203 HydrophobicContact CG1-CG2 3.56Å; V173-A419 WeakPolarHBondContact CB-O 3.48Å; V173-A419 HydrophobicContact CG1-CB 3.98Å; V173-A423 HydrophobicContact CB-CB 4.08Å; V173-A423 HydrophobicContact CG2-CB 3.63Å; V173-L426 HydrophobicContact CG2-CD1 4.29Å
174	I	98.9	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.7	-176.6	-58	171.1	0	0	0	108.1	V38 L40 L154 V188 A192 V199 Q201 L202 I203	V38-I174 HydrophobicContact CB-CG1 4.45Å; L40-I174 HydrophobicContact CB-CG2 4.37Å; L40-I174 HydrophobicContact CD2-CG2 4.2Å; L154-I174 HydrophobicContact CD1-CD1 4.21Å; L154-I174 HydrophobicContact CD2-CD1 4.12Å; I174-V188 HydrophobicContact CG2-CG1 4.13Å; I174-A192 HydrophobicContact CD1-CB 3.77Å; I174-V199 HydrophobicContact CD1-CG2 3.89Å; I174-Q201 PolarHBondContact N-O 3.39Å; I174-L202 HydrophobicContact CB-CD2 3.89Å; I174-L202 HydrophobicContact CG2-CD2 4.42Å; I174-L202 WeakPolarHBondContact O-CA 3.49Å; I174-I203 PolarHBondContact O-N 2.89Å
175	T	98.8	Very high	96.4	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	144.6	172.8	71.9	0	0	0	0	110.5	V38 D39 L40 I203 A208 A415 A419	V38-T175 PolarHBondContact O-N 3.47Å; D39-T175 VanDerWaalsContact CA-OG1 3.28Å; D39-T175 WeakPolarHBondContact CA-OG1 3.29Å; D39-T175 HydrophobicContact CB-CG2 4.3Å; D39-T175 PolarHBondContact OD1-OG1 3.42Å; L40-T175 PolarHBondContact N-OG1 2.95Å; T175-I203 CarbonylContact C-O 3.52Å; T175-I203 VanDerWaalsContact CA-O 3.28Å; T175-I203 WeakPolarHBondContact CA-O 3.48Å; T175-I203 HydrophobicContact CG2-CG2 4.07Å; T175-A208 HydrophobicContact CG2-CB 4.28Å; T175-A415 HydrophobicContact CG2-CB 4.26Å; T175-A419 HydrophobicContact CG2-CB 4Å
176	V	98.5	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149	168.4	-66.1	0	0	0	0	109.7	V178 F180 V188 L202 I203 N204 D205	V176-V178 PolarHBondContact O-N 3.44Å; V176-F180 HydrophobicContact CB-CD2 4.04Å; V176-F180 HydrophobicContact CB-CG 4.46Å; V176-F180 HydrophobicContact CG1-CD2 4.27Å; V176-V188 HydrophobicContact CG1-CB 4.35Å; V176-V188 HydrophobicContact CG1-CG1 4.1Å; V176-V188 HydrophobicContact CG1-CG2 4.09Å; V176-L202 HydrophobicContact CG1-CB 4.35Å; V176-L202 HydrophobicContact CG1-CD1 4.16Å; V176-L202 HydrophobicContact CG1-CD2 4.24Å; V176-L202 HydrophobicContact CG1-CG 4.5Å; V176-L202 HydrophobicContact CG2-CB 4.19Å; V176-I203 PolarHBondContact N-O 2.93Å; V176-N204 CarbonylContact O-C 3.5Å; V176-N204 WeakPolarHBondContact O-CA 3.27Å; V176-D205 PolarHBondContact O-N 2.83Å
177	P	97.9	Very high	96.9	Very high	22 Å²	22	19.7 Å²	19.7	14%	0.143	11%	0.105	C	C	.	.			trans	-57.2	134.4	171.6	-25.3	35.2	0	0	0	111.2	F179 F180 D205	P177-F179 HydrophobicContact CB-CD1 4.22Å; P177-F179 HydrophobicContact CB-CD2 3.93Å; P177-F179 HydrophobicContact CB-CE1 3.84Å; P177-F179 HydrophobicContact CB-CE2 3.52Å; P177-F179 HydrophobicContact CB-CG 4.27Å; P177-F179 HydrophobicContact CB-CZ 3.48Å; P177-F179 VanDerWaalsContact CB-CZ 3.48Å; P177-F179 HydrophobicContact CG-CE2 4.21Å; P177-F179 HydrophobicContact CG-CZ 4.17Å; P177-F179 PolarHBondContact O-N 2.78Å; P177-F180 HydrophobicContact CB-CD1 3.78Å; P177-F180 HydrophobicContact CB-CE1 4.02Å; P177-F180 HydrophobicContact CB-CG 4.46Å; P177-F180 HydrophobicContact CG-CD1 3.86Å; P177-F180 HydrophobicContact CG-CE1 3.62Å; P177-F180 HydrophobicContact CG-CZ 4.09Å; P177-F180 VanDerWaalsContact O-CB 3.29Å; P177-F180 WeakPolarHBondContact O-CB 3.27Å; P177-F180 PolarHBondContact O-N 3.37Å; P177-D205 WeakPolarHBondContact CA-OD2 3.49Å
178	V	97.6	Very high	97.3	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.9	-178.3	68.1	0	0	0	0	113.4	V176 F180 R185 N204 D205 V239 V264 V442	V176-V178 PolarHBondContact O-N 3.44Å; V178-F180 VanDerWaalsContact C-N 3.25Å; V178-F180 PolarHBondContact O-N 2.84Å; V178-R185 PolarHBondContact O-NH2 3.25Å; V178-N204 HydrophobicContact CB-CB 4.14Å; V178-N204 HydrophobicContact CG2-CB 4.21Å; V178-D205 PolarHBondContact N-OD1 2.7Å; V178-V239 HydrophobicContact CG1-CG1 3.62Å; V178-V239 HydrophobicContact CG1-CG2 4.07Å; V178-V264 HydrophobicContact CB-CG1 4.44Å; V178-V264 HydrophobicContact CG1-CG1 3.58Å; V178-V264 HydrophobicContact CG2-CG1 3.98Å; V178-V264 HydrophobicContact CG2-CG2 4.19Å; V178-V442 HydrophobicContact CG2-CG2 3.79Å
179	F	96.9	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	6.7	175.6	58	-111.8	0	0	0	115.2	P177 N181 S237 V239 F266 R268 Y443	P177-F179 HydrophobicContact CB-CD1 4.22Å; P177-F179 HydrophobicContact CB-CD2 3.93Å; P177-F179 HydrophobicContact CB-CE1 3.84Å; P177-F179 HydrophobicContact CB-CE2 3.52Å; P177-F179 HydrophobicContact CB-CG 4.27Å; P177-F179 HydrophobicContact CB-CZ 3.48Å; P177-F179 VanDerWaalsContact CB-CZ 3.48Å; P177-F179 HydrophobicContact CG-CE2 4.21Å; P177-F179 HydrophobicContact CG-CZ 4.17Å; P177-F179 PolarHBondContact O-N 2.78Å; F179-N181 PolarHBondContact O-N 2.64Å; F179-S237 WeakPolarHBondContact CZ-OG 3.09Å; F179-V239 HydrophobicContact CD1-CG2 4.01Å; F179-V239 HydrophobicContact CE1-CG2 3.87Å; F179-F266 HydrophobicContact CB-CD1 3.82Å; F179-F266 HydrophobicContact CB-CD2 3.99Å; F179-F266 HydrophobicContact CB-CE1 3.85Å; F179-F266 HydrophobicContact CB-CE2 4.03Å; F179-F266 HydrophobicContact CB-CG 3.9Å; F179-F266 HydrophobicContact CB-CZ 3.96Å; F179-F266 HydrophobicContact CD1-CB 3.79Å; F179-F266 HydrophobicContact CD1-CD1 4.46Å; F179-F266 HydrophobicContact CD1-CD2 4.14Å; F179-F266 AromaticContact CD1-CG 3.88Å; F179-F266 HydrophobicContact CD1-CG 3.88Å; F179-F266 HydrophobicContact CE1-CB 4.49Å; F179-F266 HydrophobicContact CG-CD2 4.29Å; F179-F266 HydrophobicContact CG-CG 4.27Å; F179-R268 HydrophobicContact CD1-CG 4.28Å; F179-R268 HydrophobicContact CD2-CG 3.97Å; F179-R268 VanDerWaalsContact CD2-NE 3.34Å; F179-R268 HydrophobicContact CE1-CG 4.46Å; F179-R268 HydrophobicContact CE2-CG 4.16Å; F179-R268 HydrophobicContact CG-CG 4.03Å; F179-R268 HydrophobicContact CZ-CG 4.4Å; F179-R268 PolarHBondContact O-NH1 3.32Å; F179-Y443 WeakPolarHBondContact O-CE2 3.48Å; F179-Y443 PolarHBondContact O-OH 3.48Å; F179-Y443 VanDerWaalsContact O-OH 3.05Å
180	F	97.9	Very high	97.7	Very high	7 Å²	7	18.3 Å²	18.3	3%	0.031	9%	0.094	C	C	.	.			trans	-71.8	121.4	173.6	-89.8	25.1	0	0	0	111	L104 V176 P177 V178 E184 R185 V188	L104-F180 HydrophobicContact CD1-CE2 4.18Å; L104-F180 HydrophobicContact CD1-CZ 4.37Å; V176-F180 HydrophobicContact CB-CD2 4.04Å; V176-F180 HydrophobicContact CB-CG 4.46Å; V176-F180 HydrophobicContact CG1-CD2 4.27Å; P177-F180 HydrophobicContact CB-CD1 3.78Å; P177-F180 HydrophobicContact CB-CE1 4.02Å; P177-F180 HydrophobicContact CB-CG 4.46Å; P177-F180 HydrophobicContact CG-CD1 3.86Å; P177-F180 HydrophobicContact CG-CE1 3.62Å; P177-F180 HydrophobicContact CG-CZ 4.09Å; P177-F180 VanDerWaalsContact O-CB 3.29Å; P177-F180 WeakPolarHBondContact O-CB 3.27Å; P177-F180 PolarHBondContact O-N 3.37Å; V178-F180 VanDerWaalsContact C-N 3.25Å; V178-F180 PolarHBondContact O-N 2.84Å; F180-E184 WeakPolarHBondContact CA-OE2 3.26Å; F180-E184 HydrophobicContact CB-CB 3.88Å; F180-E184 HydrophobicContact CD1-CB 4.2Å; F180-E184 HydrophobicContact CD2-CB 3.64Å; F180-E184 HydrophobicContact CE2-CB 4.13Å; F180-E184 HydrophobicContact CG-CB 3.66Å; F180-R185 HydrophobicContact CB-CG 4.05Å; F180-R185 PolarHBondContact O-NE 3.02Å; F180-R185 PolarHBondContact O-NH2 3.09Å; F180-V188 HydrophobicContact CD2-CG2 4.35Å; F180-V188 HydrophobicContact CE2-CG2 3.98Å
181	N	97.4	Very high	98	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.037	7%	0.072	C	C	.	.			trans	-78.9	178.9	175.7	87.9	13.2	0	0	0	111.8	F179 A183 E184 R185 Y443 Y497 F511	F179-N181 PolarHBondContact O-N 2.64Å; N181-A183 VanDerWaalsContact C-N 3.3Å; N181-A183 PolarHBondContact O-N 3.2Å; N181-A183 WeakPolarHBondContact OD1-CB 3.37Å; N181-A183 PolarHBondContact OD1-N 3.38Å; N181-E184 PolarHBondContact N-OE2 2.87Å; N181-E184 PolarHBondContact O-N 2.87Å; N181-E184 PolarHBondContact OD1-N 3.38Å; N181-R185 WeakPolarHBondContact O-CG 3.45Å; N181-R185 PolarHBondContact O-N 3.33Å; N181-Y443 HydrophobicContact CB-CD2 4.21Å; N181-Y443 HydrophobicContact CB-CE2 4.17Å; N181-Y497 VanDerWaalsContact CB-OH 3.3Å; N181-Y497 WeakPolarHBondContact CB-OH 3.39Å; N181-F511 HydrophobicContact CB-CD2 4.31Å; N181-F511 HydrophobicContact CB-CE2 3.65Å; N181-F511 HydrophobicContact CB-CZ 4.04Å; N181-F511 PolarHBondContact ND2-O 2.99Å
182	Q	97.8	Very high	98.1	Very high	11 Å²	11	11.7 Å²	11.7	5%	0.051	6%	0.063	C	C	.	.	H	α-helix	trans	-59.9	-34.7	-175.7	-65.2	-63.7	-43.5	0	0	113.9	R186 Y497 L516 G549	Q182-R186 VanDerWaalsContact O-CB 3.31Å; Q182-R186 WeakPolarHBondContact O-CB 3.46Å; Q182-R186 VanDerWaalsContact O-CD 3.32Å; Q182-R186 WeakPolarHBondContact O-CD 3.47Å; Q182-R186 WeakPolarHBondContact O-CG 3.13Å; Q182-R186 PolarHBondContact O-N 3.27Å; Q182-Y497 WeakPolarHBondContact CB-OH 3.41Å; Q182-Y497 HydrophobicContact CG-CE1 4.18Å; Q182-Y497 PolarHBondContact N-OH 2.77Å; Q182-L516 HydrophobicContact CB-CD2 3.52Å; Q182-L516 HydrophobicContact CG-CD1 4.33Å; Q182-L516 HydrophobicContact CG-CD2 3.54Å; Q182-G549 PolarHBondContact NE2-O 3.28Å
183	A	96.3	Very high	98.1	Very high	42 Å²	42	20.5 Å²	20.5	35%	0.347	10%	0.097	S	C	.	.	H	α-helix	trans	-70.1	-44.9	177	0	0	0	0	0	110.5	N181 R185 R186 A187	N181-A183 VanDerWaalsContact C-N 3.3Å; N181-A183 PolarHBondContact O-N 3.2Å; N181-A183 WeakPolarHBondContact OD1-CB 3.37Å; N181-A183 PolarHBondContact OD1-N 3.38Å; A183-R185 PolarHBondContact O-N 3.39Å; A183-R186 PolarHBondContact O-N 2.97Å; A183-A187 WeakPolarHBondContact O-CB 3.28Å; A183-A187 PolarHBondContact O-N 3.29Å
184	E	98	Very high	98	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-40.6	179	-58.5	175.5	127.9	0	0	111.3	K106 F180 N181 V188 R268	K106-E184 WeakPolarHBondContact CE-OE1 3.46Å; K106-E184 IonicContact NZ-OE1 2.77Å; K106-E184 PolarHBondContact NZ-OE1 2.8Å; K106-E184 IonicContact NZ-OE2 2.71Å; F180-E184 WeakPolarHBondContact CA-OE2 3.26Å; F180-E184 HydrophobicContact CB-CB 3.88Å; F180-E184 HydrophobicContact CD1-CB 4.2Å; F180-E184 HydrophobicContact CD2-CB 3.64Å; F180-E184 HydrophobicContact CE2-CB 4.13Å; F180-E184 HydrophobicContact CG-CB 3.66Å; N181-E184 PolarHBondContact N-OE2 2.87Å; N181-E184 PolarHBondContact O-N 2.87Å; N181-E184 PolarHBondContact OD1-N 3.38Å; E184-V188 WeakPolarHBondContact O-CG2 3.23Å; E184-V188 PolarHBondContact O-N 2.73Å; E184-R268 IonicContact OE1-CZ 2.72Å; E184-R268 IonicContact OE1-NH1 3.99Å; E184-R268 PolarHBondContact OE1-NH1 3.08Å; E184-R268 IonicContact OE1-NH2 3.25Å; E184-R268 PolarHBondContact OE1-NH2 3.33Å; E184-R268 IonicContact OE2-CZ 3.45Å; E184-R268 IonicContact OE2-NH1 2.94Å; E184-R268 PolarHBondContact OE2-NH1 3.03Å; E184-R268 IonicContact OE2-NH2 2.79Å
185	R	98.4	Very high	98	Very high	13 Å²	13	24.8 Å²	24.8	5%	0.049	12%	0.118	C	C	.	.	H	α-helix	trans	-65.7	-43.9	173.1	-68.8	178.6	-171.3	-97.7	-14.9	112.6	V178 F180 N181 A183 A187 V188 L189 L202 N204 S548 V550	V178-R185 PolarHBondContact O-NH2 3.25Å; F180-R185 HydrophobicContact CB-CG 4.05Å; F180-R185 PolarHBondContact O-NE 3.02Å; F180-R185 PolarHBondContact O-NH2 3.09Å; N181-R185 WeakPolarHBondContact O-CG 3.45Å; N181-R185 PolarHBondContact O-N 3.33Å; A183-R185 PolarHBondContact O-N 3.39Å; R185-A187 VanDerWaalsContact C-N 3.35Å; R185-A187 PolarHBondContact O-N 2.99Å; R185-V188 PolarHBondContact O-N 2.75Å; R185-L189 PolarHBondContact O-N 2.91Å; R185-L202 HydrophobicContact CB-CD1 4.04Å; R185-L202 HydrophobicContact CG-CD1 4.44Å; R185-L202 WeakPolarHBondContact O-CD1 3.34Å; R185-N204 VanDerWaalsContact CZ-OD1 3.27Å; R185-N204 PolarHBondContact NH1-OD1 3.46Å; R185-N204 PolarHBondContact NH2-OD1 2.9Å; R185-S548 PolarHBondContact NH1-O 3.27Å; R185-V550 HydrophobicContact CB-CG2 4.1Å
186	R	97.7	Very high	97.9	Very high	44 Å²	44	27 Å²	27	17%	0.166	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-35.6	178.9	-73.2	167.8	-175.9	172	-1.6	112.2	Q182 A183 V188 L189 Q190 V550 L551 F677	Q182-R186 VanDerWaalsContact O-CB 3.31Å; Q182-R186 WeakPolarHBondContact O-CB 3.46Å; Q182-R186 VanDerWaalsContact O-CD 3.32Å; Q182-R186 WeakPolarHBondContact O-CD 3.47Å; Q182-R186 WeakPolarHBondContact O-CG 3.13Å; Q182-R186 PolarHBondContact O-N 3.27Å; A183-R186 PolarHBondContact O-N 2.97Å; R186-V188 PolarHBondContact O-N 3.12Å; R186-L189 PolarHBondContact O-N 3.44Å; R186-Q190 WeakPolarHBondContact O-CB 3.4Å; R186-Q190 PolarHBondContact O-N 3.3Å; R186-V550 HydrophobicContact CG-CG1 4.49Å; R186-L551 PolarHBondContact NH2-O 2.98Å; R186-F677 VanDerWaalsContact NH1-CG 3.31Å
187	A	98	Very high	97.8	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-59.3	-42.6	171.9	0	0	0	0	0	112.2	L104 E147 A183 R185 Q190 A191	L104-A187 HydrophobicContact CB-CB 3.87Å; L104-A187 HydrophobicContact CD2-CB 4.32Å; E147-A187 HydrophobicContact CG-CB 3.75Å; A183-A187 WeakPolarHBondContact O-CB 3.28Å; A183-A187 PolarHBondContact O-N 3.29Å; R185-A187 VanDerWaalsContact C-N 3.35Å; R185-A187 PolarHBondContact O-N 2.99Å; A187-Q190 PolarHBondContact O-N 3.2Å; A187-A191 WeakPolarHBondContact O-CB 3.49Å; A187-A191 PolarHBondContact O-N 3.3Å
188	V	98.8	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.6	-42	173	178.4	0	0	0	0	111.8	L40 L104 L150 I174 V176 F180 E184 R185 R186 Q190 A191 A192 L202	L40-V188 HydrophobicContact CD2-CG1 4.44Å; L104-V188 HydrophobicContact CD1-CG2 4.05Å; L150-V188 HydrophobicContact CD2-CB 4.42Å; L150-V188 HydrophobicContact CD2-CG1 4.47Å; L150-V188 HydrophobicContact CD2-CG2 4Å; I174-V188 HydrophobicContact CG2-CG1 4.13Å; V176-V188 HydrophobicContact CG1-CB 4.35Å; V176-V188 HydrophobicContact CG1-CG1 4.1Å; V176-V188 HydrophobicContact CG1-CG2 4.09Å; F180-V188 HydrophobicContact CD2-CG2 4.35Å; F180-V188 HydrophobicContact CE2-CG2 3.98Å; E184-V188 WeakPolarHBondContact O-CG2 3.23Å; E184-V188 PolarHBondContact O-N 2.73Å; R185-V188 PolarHBondContact O-N 2.75Å; R186-V188 PolarHBondContact O-N 3.12Å; V188-Q190 VanDerWaalsContact C-N 3.32Å; V188-Q190 PolarHBondContact O-N 3.44Å; V188-A191 PolarHBondContact O-N 2.94Å; V188-A192 WeakPolarHBondContact O-CB 3.46Å; V188-A192 PolarHBondContact O-N 3.23Å; V188-L202 HydrophobicContact CB-CD1 4.38Å; V188-L202 HydrophobicContact CG1-CD1 4.44Å; V188-L202 HydrophobicContact CG1-CD2 3.82Å
189	L	98.7	Very high	97.8	Very high	44 Å²	44	33.2 Å²	33.2	23%	0.23	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-37	174.5	-69.4	-178.7	0	0	0	112.8	R185 R186 R193 V199 L202 V550	R185-L189 PolarHBondContact O-N 2.91Å; R186-L189 PolarHBondContact O-N 3.44Å; L189-R193 WeakPolarHBondContact O-CB 3.42Å; L189-R193 PolarHBondContact O-N 2.92Å; L189-V199 HydrophobicContact CD2-CB 3.93Å; L189-V199 HydrophobicContact CD2-CG1 3.86Å; L189-V199 HydrophobicContact CD2-CG2 3.98Å; L189-L202 HydrophobicContact CD2-CD1 3.9Å; L189-L202 HydrophobicContact CD2-CD2 4.09Å; L189-L202 HydrophobicContact CD2-CG 3.83Å; L189-L202 HydrophobicContact CG-CD1 3.89Å; L189-L202 HydrophobicContact CG-CG 4.39Å; L189-V550 HydrophobicContact CD1-CG2 4.17Å
190	Q	98.1	Very high	97.9	Very high	47 Å²	47	35.1 Å²	35.1	22%	0.22	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-45.8	175.1	-178.2	179	-23.6	0	0	111	R186 A187 V188 A192 R193 M194	R186-Q190 WeakPolarHBondContact O-CB 3.4Å; R186-Q190 PolarHBondContact O-N 3.3Å; A187-Q190 PolarHBondContact O-N 3.2Å; V188-Q190 VanDerWaalsContact C-N 3.32Å; V188-Q190 PolarHBondContact O-N 3.44Å; Q190-A192 PolarHBondContact O-N 2.81Å; Q190-R193 WeakPolarHBondContact O-CB 3.44Å; Q190-R193 PolarHBondContact O-N 3.01Å; Q190-M194 HydrophobicContact CG-CE 4.16Å; Q190-M194 WeakPolarHBondContact O-CG 3.49Å; Q190-M194 PolarHBondContact O-N 3.41Å
191	A	98.6	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-44.7	175.3	0	0	0	0	0	112.4	E147 L150 G151 L154 A187 V188 R193 M194 A195	E147-A191 VanDerWaalsContact O-CB 3.24Å; E147-A191 WeakPolarHBondContact O-CB 3.31Å; L150-A191 HydrophobicContact CB-CB 3.71Å; L150-A191 HydrophobicContact CD2-CB 3.58Å; L150-A191 HydrophobicContact CG-CB 3.53Å; G151-A191 WeakPolarHBondContact CA-O 3.49Å; L154-A191 HydrophobicContact CD1-CB 4Å; A187-A191 WeakPolarHBondContact O-CB 3.49Å; A187-A191 PolarHBondContact O-N 3.3Å; V188-A191 PolarHBondContact O-N 2.94Å; A191-R193 PolarHBondContact O-N 3.24Å; A191-M194 PolarHBondContact O-N 3.45Å; A191-A195 PolarHBondContact O-N 3.13Å
192	A	98.6	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-40.4	175.9	0	0	0	0	0	112.3	L154 I174 V188 Q190 M194 A195 G196 L197 V199	L154-A192 HydrophobicContact CD1-CB 4.13Å; I174-A192 HydrophobicContact CD1-CB 3.77Å; V188-A192 WeakPolarHBondContact O-CB 3.46Å; V188-A192 PolarHBondContact O-N 3.23Å; Q190-A192 PolarHBondContact O-N 2.81Å; A192-M194 VanDerWaalsContact C-N 3.34Å; A192-M194 PolarHBondContact O-N 3.23Å; A192-A195 WeakPolarHBondContact O-CB 3.48Å; A192-A195 PolarHBondContact O-N 2.81Å; A192-A195 VanDerWaalsContact O-N 3.16Å; A192-G196 PolarHBondContact O-N 2.86Å; A192-L197 HydrophobicContact CB-CB 4.33Å; A192-L197 PolarHBondContact O-N 2.93Å; A192-V199 HydrophobicContact CB-CG2 3.4Å
193	R	98.2	Very high	98	Very high	186 Å²	186	34.4 Å²	34.4	70%	0.702	18%	0.175	S	C	*	.	H	α-helix	trans	-60.2	-42.1	173.4	-169.9	-171.1	-58.2	148.9	5.7	111.8	L189 Q190 A191 A195 G196	L189-R193 WeakPolarHBondContact O-CB 3.42Å; L189-R193 PolarHBondContact O-N 2.92Å; Q190-R193 WeakPolarHBondContact O-CB 3.44Å; Q190-R193 PolarHBondContact O-N 3.01Å; A191-R193 PolarHBondContact O-N 3.24Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 3.01Å; R193-G196 PolarHBondContact O-N 2.74Å; R193-G196 VanDerWaalsContact O-N 3.11Å
194	M	98	Very high	98.2	Very high	88 Å²	88	32.5 Å²	32.5	43%	0.433	16%	0.159	S	C	.	.	H	α-helix	trans	-68.1	-29.7	176.1	-66.7	-174.8	-61.2	0	0	112.7	E147 E148 Q190 A191 A192 G196	E147-M194 VanDerWaalsContact C-CE 3.48Å; E147-M194 HydrophobicContact CB-CE 3.99Å; E147-M194 VanDerWaalsContact O-CE 3.23Å; E147-M194 WeakPolarHBondContact O-CE 3.24Å; E148-M194 HydrophobicContact CB-CE 4.43Å; E148-M194 HydrophobicContact CG-CE 3.95Å; E148-M194 HydrophobicContact CG-SD 4.06Å; Q190-M194 HydrophobicContact CG-CE 4.16Å; Q190-M194 WeakPolarHBondContact O-CG 3.49Å; Q190-M194 PolarHBondContact O-N 3.41Å; A191-M194 PolarHBondContact O-N 3.45Å; A192-M194 VanDerWaalsContact C-N 3.34Å; A192-M194 PolarHBondContact O-N 3.23Å; M194-G196 PolarHBondContact O-N 3.2Å
195	A	97.8	Very high	98.1	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7	171	0	0	0	0	0	114.3	L154 N155 R158 A191 A192 R193 L197	L154-A195 HydrophobicContact CB-CB 3.71Å; N155-A195 HydrophobicContact CB-CB 4.09Å; R158-A195 PolarHBondContact NH1-O 2.96Å; A191-A195 PolarHBondContact O-N 3.13Å; A192-A195 WeakPolarHBondContact O-CB 3.48Å; A192-A195 PolarHBondContact O-N 2.81Å; A192-A195 VanDerWaalsContact O-N 3.16Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 3.01Å; A195-L197 HydrophobicContact CB-CD1 4.29Å; A195-L197 HydrophobicContact CB-CG 4.3Å
196	G	96.3	Very high	98.1	Very high	48 Å²	48	33.3 Å²	33.3	50%	0.495	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	20.7	-174.6	0	0	0	0	0	114.1	A192 R193 M194	A192-G196 PolarHBondContact O-N 2.86Å; R193-G196 PolarHBondContact O-N 2.74Å; R193-G196 VanDerWaalsContact O-N 3.11Å; M194-G196 PolarHBondContact O-N 3.2Å
197	L	97.6	Very high	98.2	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.052	16%	0.157	C	C	.	.			trans	-92.7	132.1	178.4	-70.6	173.2	0	0	0	111.4	M36 L154 R158 A172 A192 A195 V199	M36-L197 HydrophobicContact SD-CD2 4Å; L154-L197 HydrophobicContact CB-CD1 4.2Å; R158-L197 HydrophobicContact CB-CD2 4.12Å; R158-L197 HydrophobicContact CG-CD2 3.65Å; R158-L197 HydrophobicContact CG-CG 4.49Å; A172-L197 HydrophobicContact CB-CD1 4.41Å; A172-L197 HydrophobicContact CB-CD2 4.12Å; A192-L197 HydrophobicContact CB-CB 4.33Å; A192-L197 PolarHBondContact O-N 2.93Å; A195-L197 HydrophobicContact CB-CD1 4.29Å; A195-L197 HydrophobicContact CB-CG 4.3Å; L197-V199 PolarHBondContact O-N 3.14Å
198	K	97.1	Very high	98.2	Very high	112 Å²	112	31 Å²	31	49%	0.487	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	105.1	162.2	168.5	166.8	155.2	-80.2	0	108.2	K170 D171 A172 L200	K170-K198 PolarHBondContact O-N 2.8Å; D171-K198 WeakPolarHBondContact CA-O 3.38Å; D171-K198 WeakPolarHBondContact OD1-CB 3.4Å; D171-K198 VanDerWaalsContact OD1-CD 3.26Å; D171-K198 WeakPolarHBondContact OD1-CD 3.42Å; D171-K198 VanDerWaalsContact OD1-CG 3.28Å; D171-K198 WeakPolarHBondContact OD1-CG 3.36Å; D171-K198 IonicContact OD1-NZ 3.43Å; D171-K198 PolarHBondContact OD1-NZ 3.25Å; D171-K198 IonicContact OD2-NZ 3.67Å; D171-K198 PolarHBondContact OD2-NZ 2.8Å; A172-K198 PolarHBondContact N-O 3.32Å; K198-L200 PolarHBondContact O-N 2.93Å
199	V	98.4	Very high	98.2	Very high	33 Å²	33	31.2 Å²	31.2	20%	0.2	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	118.9	172.9	-178.8	0	0	0	0	108.6	A172 I174 L189 A192 L197 Q201 L202	A172-V199 CarbonylContact O-C 3.54Å; A172-V199 WeakPolarHBondContact O-CA 3.48Å; I174-V199 HydrophobicContact CD1-CG2 3.89Å; L189-V199 HydrophobicContact CD2-CB 3.93Å; L189-V199 HydrophobicContact CD2-CG1 3.86Å; L189-V199 HydrophobicContact CD2-CG2 3.98Å; A192-V199 HydrophobicContact CB-CG2 3.4Å; L197-V199 PolarHBondContact O-N 3.14Å; V199-Q201 VanDerWaalsContact CG1-C 3.43Å; V199-Q201 WeakPolarHBondContact CG1-O 3.31Å; V199-L202 HydrophobicContact CG1-CD2 3.85Å; V199-L202 HydrophobicContact CG1-CG 4.23Å
200	L	98	Very high	98.2	Very high	39 Å²	39	29.1 Å²	29.1	20%	0.204	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-39.7	170.2	-65.6	-179.4	0	0	0	110.7	D171 A172 V173 K198 A423 L426	D171-L200 HydrophobicContact CB-CD1 4.05Å; D171-L200 HydrophobicContact CB-CD2 4.17Å; D171-L200 HydrophobicContact CB-CG 4.05Å; A172-L200 PolarHBondContact O-N 3.15Å; V173-L200 HydrophobicContact CG2-CB 3.95Å; K198-L200 PolarHBondContact O-N 2.93Å; L200-A423 HydrophobicContact CD1-CB 4.46Å; L200-L426 HydrophobicContact CB-CB 4.35Å; L200-L426 HydrophobicContact CB-CD1 3.94Å; L200-L426 HydrophobicContact CD1-CB 4.16Å
201	Q	98.6	Very high	98.2	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.047	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	145.6	175.9	-167.9	-178.6	-6.7	0	0	110.2	V173 I174 V199 L426 E547 S548	V173-Q201 WeakPolarHBondContact CA-O 3.38Å; V173-Q201 HydrophobicContact CG1-CB 4.49Å; V173-Q201 HydrophobicContact CG2-CB 4.25Å; I174-Q201 PolarHBondContact N-O 3.39Å; V199-Q201 VanDerWaalsContact CG1-C 3.43Å; V199-Q201 WeakPolarHBondContact CG1-O 3.31Å; Q201-L426 HydrophobicContact CB-CD1 3.73Å; Q201-E547 HydrophobicContact CG-CB 4.07Å; Q201-E547 WeakPolarHBondContact CG-O 3.39Å; Q201-E547 PolarHBondContact NE2-O 3.49Å; Q201-S548 WeakPolarHBondContact CA-OG 2.98Å
202	L	98.8	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.6	153.6	-59.2	-177.5	0	0	0	108.5	I174 V176 R185 V188 L189 V199 S548	I174-L202 HydrophobicContact CB-CD2 3.89Å; I174-L202 HydrophobicContact CG2-CD2 4.42Å; I174-L202 WeakPolarHBondContact O-CA 3.49Å; V176-L202 HydrophobicContact CG1-CB 4.35Å; V176-L202 HydrophobicContact CG1-CD1 4.16Å; V176-L202 HydrophobicContact CG1-CD2 4.24Å; V176-L202 HydrophobicContact CG1-CG 4.5Å; V176-L202 HydrophobicContact CG2-CB 4.19Å; R185-L202 HydrophobicContact CB-CD1 4.04Å; R185-L202 HydrophobicContact CG-CD1 4.44Å; R185-L202 WeakPolarHBondContact O-CD1 3.34Å; V188-L202 HydrophobicContact CB-CD1 4.38Å; V188-L202 HydrophobicContact CG1-CD1 4.44Å; V188-L202 HydrophobicContact CG1-CD2 3.82Å; L189-L202 HydrophobicContact CD2-CD1 3.9Å; L189-L202 HydrophobicContact CD2-CD2 4.09Å; L189-L202 HydrophobicContact CD2-CG 3.83Å; L189-L202 HydrophobicContact CG-CD1 3.89Å; L189-L202 HydrophobicContact CG-CG 4.39Å; V199-L202 HydrophobicContact CG1-CD2 3.85Å; V199-L202 HydrophobicContact CG1-CG 4.23Å; L202-S548 PolarHBondContact N-OG 3.29Å; L202-S548 WeakPolarHBondContact O-CA 3.46Å
203	I	98.8	Very high	98.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	144.6	176.5	-168.3	168	0	0	0	109.2	V173 I174 T175 V176 T207 A208 L211 A419 Q422	V173-I203 HydrophobicContact CG1-CB 4.06Å; V173-I203 HydrophobicContact CG1-CG2 3.56Å; I174-I203 PolarHBondContact O-N 2.89Å; T175-I203 CarbonylContact C-O 3.52Å; T175-I203 VanDerWaalsContact CA-O 3.28Å; T175-I203 WeakPolarHBondContact CA-O 3.48Å; T175-I203 HydrophobicContact CG2-CG2 4.07Å; V176-I203 PolarHBondContact N-O 2.93Å; I203-T207 HydrophobicContact CD1-CG2 4.45Å; I203-T207 HydrophobicContact CG1-CG2 4.34Å; I203-A208 HydrophobicContact CD1-CB 3.86Å; I203-A208 HydrophobicContact CG1-CB 4.12Å; I203-A208 HydrophobicContact CG2-CB 3.92Å; I203-L211 HydrophobicContact CD1-CD2 4.33Å; I203-A419 HydrophobicContact CG2-CB 3.91Å; I203-Q422 HydrophobicContact CD1-CB 4.24Å; I203-Q422 HydrophobicContact CD1-CG 4.23Å
204	N	98.8	Very high	98.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	139.7	172.1	-58.7	-30	0	0	0	109.5	V176 V178 R185 N206 T207 A208 D439 Y476	V176-N204 CarbonylContact O-C 3.5Å; V176-N204 WeakPolarHBondContact O-CA 3.27Å; V178-N204 HydrophobicContact CB-CB 4.14Å; V178-N204 HydrophobicContact CG2-CB 4.21Å; R185-N204 VanDerWaalsContact CZ-OD1 3.27Å; R185-N204 PolarHBondContact NH1-OD1 3.46Å; R185-N204 PolarHBondContact NH2-OD1 2.9Å; N204-N206 WeakPolarHBondContact CB-OD1 3.26Å; N204-N206 PolarHBondContact O-N 2.99Å; N204-T207 PolarHBondContact O-N 2.93Å; N204-T207 VanDerWaalsContact O-N 3.13Å; N204-A208 WeakPolarHBondContact O-CB 3.23Å; N204-A208 PolarHBondContact O-N 3.34Å; N204-D439 PolarHBondContact ND2-OD1 3.35Å; N204-D439 PolarHBondContact ND2-OD2 2.99Å; N204-Y476 PolarHBondContact ND2-OH 3.32Å
205	D	97.8	Very high	97.9	Very high	23 Å²	23	16.3 Å²	16.3	12%	0.123	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-42.1	-177.7	51.6	1.5	0	0	0	113.6	V176 P177 V178 T209	V176-D205 PolarHBondContact O-N 2.83Å; P177-D205 WeakPolarHBondContact CA-OD2 3.49Å; V178-D205 PolarHBondContact N-OD1 2.7Å; D205-T209 WeakPolarHBondContact O-CB 3.39Å; D205-T209 PolarHBondContact O-N 3.06Å; D205-T209 PolarHBondContact O-OG1 2.83Å
206	N	98.2	Very high	97.7	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.043	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-46.1	170.3	66.3	-23.4	0	0	0	112.4	N204 T209 A210 V239 T241	N204-N206 WeakPolarHBondContact CB-OD1 3.26Å; N204-N206 PolarHBondContact O-N 2.99Å; N206-T209 WeakPolarHBondContact O-CB 3.47Å; N206-T209 PolarHBondContact O-N 2.99Å; N206-A210 WeakPolarHBondContact O-CB 3.38Å; N206-A210 PolarHBondContact O-N 2.81Å; N206-V239 HydrophobicContact CB-CG1 4.22Å; N206-T241 HydrophobicContact CB-CG2 4.32Å; N206-T241 WeakPolarHBondContact CB-OG1 3.45Å; N206-T241 WeakPolarHBondContact ND2-CG2 3.46Å; N206-T241 PolarHBondContact ND2-OG1 2.91Å
207	T	98.7	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-37.2	179	-58.4	0	0	0	0	111.9	I203 N204 A210 L211 L259 V437 D439	I203-T207 HydrophobicContact CD1-CG2 4.45Å; I203-T207 HydrophobicContact CG1-CG2 4.34Å; N204-T207 PolarHBondContact O-N 2.93Å; N204-T207 VanDerWaalsContact O-N 3.13Å; T207-A210 PolarHBondContact O-N 2.89Å; T207-L211 VanDerWaalsContact O-CB 3.31Å; T207-L211 WeakPolarHBondContact O-CB 3.37Å; T207-L211 PolarHBondContact O-N 2.75Å; T207-L259 HydrophobicContact CG2-CD1 4.24Å; T207-V437 HydrophobicContact CG2-CG1 3.69Å; T207-D439 WeakPolarHBondContact CB-OD2 3.26Å; T207-D439 HydrophobicContact CG2-CB 4.32Å; T207-D439 WeakPolarHBondContact CG2-OD2 3.37Å; T207-D439 PolarHBondContact OG1-OD1 3.13Å; T207-D439 PolarHBondContact OG1-OD2 2.94Å
208	A	98.6	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-41.6	173.7	0	0	0	0	0	111.2	T175 I203 N204 L211 S212 A415 G418 A419	T175-A208 HydrophobicContact CG2-CB 4.28Å; I203-A208 HydrophobicContact CD1-CB 3.86Å; I203-A208 HydrophobicContact CG1-CB 4.12Å; I203-A208 HydrophobicContact CG2-CB 3.92Å; N204-A208 WeakPolarHBondContact O-CB 3.23Å; N204-A208 PolarHBondContact O-N 3.34Å; A208-L211 PolarHBondContact O-N 2.84Å; A208-S212 PolarHBondContact O-N 3.16Å; A208-A415 HydrophobicContact CB-CB 4.48Å; A208-A415 WeakPolarHBondContact CB-O 3.23Å; A208-G418 WeakPolarHBondContact O-CA 3.43Å; A208-A419 HydrophobicContact CB-CB 4.35Å
209	T	98.4	Very high	97.3	Very high	3 Å²	3	30 Å²	30	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-44.5	174	-64	0	0	0	0	112	D205 N206 S212 Y213 F230 V383 I409 A414	D205-T209 WeakPolarHBondContact O-CB 3.39Å; D205-T209 PolarHBondContact O-N 3.06Å; D205-T209 PolarHBondContact O-OG1 2.83Å; N206-T209 WeakPolarHBondContact O-CB 3.47Å; N206-T209 PolarHBondContact O-N 2.99Å; T209-S212 WeakPolarHBondContact O-CB 3.47Å; T209-S212 PolarHBondContact O-N 2.86Å; T209-Y213 PolarHBondContact O-N 2.99Å; T209-F230 HydrophobicContact CG2-CD1 4.18Å; T209-V383 HydrophobicContact CG2-CG1 3.93Å; T209-V383 HydrophobicContact CG2-CG2 3.85Å; T209-I409 HydrophobicContact CG2-CD1 4.06Å; T209-A414 HydrophobicContact CG2-CB 3.86Å
210	A	98.4	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-43.4	174.1	0	0	0	0	0	112.2	N206 T207 S212 Y213 G214 F230 V243 Y245 L259	N206-A210 WeakPolarHBondContact O-CB 3.38Å; N206-A210 PolarHBondContact O-N 2.81Å; T207-A210 PolarHBondContact O-N 2.89Å; A210-S212 VanDerWaalsContact C-N 3.33Å; A210-S212 PolarHBondContact O-N 3.49Å; A210-Y213 WeakPolarHBondContact O-CB 3.44Å; A210-Y213 PolarHBondContact O-N 3Å; A210-Y213 VanDerWaalsContact O-N 3.15Å; A210-G214 PolarHBondContact O-N 3.48Å; A210-F230 HydrophobicContact CB-CE2 4.29Å; A210-V243 HydrophobicContact CB-CG1 4.28Å; A210-V243 HydrophobicContact CB-CG2 4.01Å; A210-Y245 VanDerWaalsContact CA-OH 3.24Å; A210-Y245 WeakPolarHBondContact CA-OH 3.22Å; A210-Y245 WeakPolarHBondContact CB-OH 3.44Å; A210-Y245 PolarHBondContact O-OH 3.14Å; A210-L259 HydrophobicContact CB-CD1 4.48Å; A210-L259 HydrophobicContact CB-CD2 4.27Å
211	L	98.4	Very high	97.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-42.3	175.2	-178.9	58.2	0	0	0	111.3	I203 T207 A208 G214 V215 L259 G418 Y421 Q422 F435 V437	I203-L211 HydrophobicContact CD1-CD2 4.33Å; T207-L211 VanDerWaalsContact O-CB 3.31Å; T207-L211 WeakPolarHBondContact O-CB 3.37Å; T207-L211 PolarHBondContact O-N 2.75Å; A208-L211 PolarHBondContact O-N 2.84Å; L211-G214 PolarHBondContact O-N 3.1Å; L211-V215 HydrophobicContact CD1-CG2 3.79Å; L211-V215 HydrophobicContact CG-CG2 4.27Å; L211-V215 VanDerWaalsContact O-CB 3.25Å; L211-V215 WeakPolarHBondContact O-CB 3.17Å; L211-V215 WeakPolarHBondContact O-CG2 3.28Å; L211-V215 PolarHBondContact O-N 3.24Å; L211-L259 HydrophobicContact CB-CD2 3.85Å; L211-L259 HydrophobicContact CD1-CD2 4.12Å; L211-G418 WeakPolarHBondContact CD2-O 3.38Å; L211-Y421 HydrophobicContact CD1-CD1 4.25Å; L211-Y421 HydrophobicContact CD1-CE1 4.5Å; L211-Y421 HydrophobicContact CD2-CD1 4.27Å; L211-Y421 HydrophobicContact CG-CD1 4.32Å; L211-Q422 HydrophobicContact CD2-CB 3.99Å; L211-F435 HydrophobicContact CD1-CB 4.21Å; L211-F435 HydrophobicContact CD1-CD1 3.66Å; L211-F435 HydrophobicContact CD1-CE1 4.24Å; L211-F435 HydrophobicContact CD1-CG 3.92Å; L211-V437 HydrophobicContact CD1-CG2 3.94Å; L211-V437 HydrophobicContact CD2-CG2 4.21Å
212	S	97.9	Very high	96.9	Very high	7 Å²	7	34 Å²	34	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-44	173.1	-172	0	0	0	0	111.9	A208 T209 A210 F216 A414	A208-S212 PolarHBondContact O-N 3.16Å; T209-S212 WeakPolarHBondContact O-CB 3.47Å; T209-S212 PolarHBondContact O-N 2.86Å; A210-S212 VanDerWaalsContact C-N 3.33Å; A210-S212 PolarHBondContact O-N 3.49Å; S212-F216 WeakPolarHBondContact O-CD2 3.33Å; S212-F216 PolarHBondContact O-N 3.22Å; S212-A414 VanDerWaalsContact CB-O 3.22Å; S212-A414 WeakPolarHBondContact CB-O 3.42Å
213	Y	97.8	Very high	96.7	Very high	22 Å²	22	39.1 Å²	39.1	9%	0.086	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-53.6	176.8	179	-92.9	0	0	0	111.7	T209 A210 R217 I228 F230 Y245 I381 I409	T209-Y213 PolarHBondContact O-N 2.99Å; A210-Y213 WeakPolarHBondContact O-CB 3.44Å; A210-Y213 PolarHBondContact O-N 3Å; A210-Y213 VanDerWaalsContact O-N 3.15Å; Y213-R217 WeakPolarHBondContact O-CB 3.39Å; Y213-R217 PolarHBondContact O-N 3.47Å; Y213-I228 HydrophobicContact CE1-CG1 4.2Å; Y213-F230 AromaticContact CD1-CZ 3.84Å; Y213-F230 HydrophobicContact CD1-CZ 3.84Å; Y213-F230 AromaticContact CD2-CE1 3.99Å; Y213-F230 HydrophobicContact CD2-CE1 3.99Å; Y213-F230 HydrophobicContact CD2-CZ 4.03Å; Y213-F230 HydrophobicContact CE1-CZ 4.44Å; Y213-F230 AromaticContact CG-CE1 3.92Å; Y213-F230 HydrophobicContact CG-CE1 3.92Å; Y213-F230 AromaticContact CG-CZ 3.6Å; Y213-F230 HydrophobicContact CG-CZ 3.6Å; Y213-Y245 HydrophobicContact CD1-CE1 4.25Å; Y213-Y245 AromaticContact CD1-CE2 3.79Å; Y213-Y245 HydrophobicContact CD1-CE2 3.79Å; Y213-Y245 AromaticContact CD1-CZ 3.61Å; Y213-Y245 HydrophobicContact CE1-CD2 4.46Å; Y213-Y245 AromaticContact CE1-CE2 3.99Å; Y213-Y245 HydrophobicContact CE1-CE2 3.99Å; Y213-I381 HydrophobicContact CD2-CD1 3.74Å; Y213-I381 HydrophobicContact CE2-CD1 3.19Å; Y213-I409 HydrophobicContact CD2-CD1 4.43Å
214	G	97.1	Very high	96.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-34.3	-176.6	0	0	0	0	0	113.9	A210 L211 R217 R218 F435	A210-G214 PolarHBondContact O-N 3.48Å; L211-G214 PolarHBondContact O-N 3.1Å; G214-R217 CarbonylContact O-C 3.59Å; G214-R217 VanDerWaalsContact O-C 3.32Å; G214-R217 PolarHBondContact O-N 2.92Å; G214-R218 PolarHBondContact O-N 3.31Å; G214-F435 VanDerWaalsContact C-CE2 3.43Å; G214-F435 WeakPolarHBondContact O-CE2 3.4Å
215	V	95.6	Very high	96.5	Very high	23 Å²	23	45.5 Å²	45.5	14%	0.139	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-44	179	161.4	0	0	0	0	112	L211 R217 Y421 F435	L211-V215 HydrophobicContact CD1-CG2 3.79Å; L211-V215 HydrophobicContact CG-CG2 4.27Å; L211-V215 VanDerWaalsContact O-CB 3.25Å; L211-V215 WeakPolarHBondContact O-CB 3.17Å; L211-V215 WeakPolarHBondContact O-CG2 3.28Å; L211-V215 PolarHBondContact O-N 3.24Å; V215-R217 VanDerWaalsContact C-N 3.32Å; V215-Y421 HydrophobicContact CB-CD2 4.48Å; V215-Y421 HydrophobicContact CB-CE2 4.32Å; V215-Y421 HydrophobicContact CG1-CD2 3.69Å; V215-Y421 HydrophobicContact CG1-CE2 3.44Å; V215-Y421 VanDerWaalsContact CG1-CE2 3.44Å; V215-Y421 HydrophobicContact CG1-CG 4.39Å; V215-Y421 HydrophobicContact CG2-CD1 3.75Å; V215-Y421 HydrophobicContact CG2-CD2 4.04Å; V215-Y421 HydrophobicContact CG2-CE1 3.5Å; V215-Y421 VanDerWaalsContact CG2-CE1 3.5Å; V215-Y421 HydrophobicContact CG2-CE2 3.84Å; V215-Y421 HydrophobicContact CG2-CG 3.99Å; V215-F435 HydrophobicContact CG2-CD2 3.91Å; V215-F435 HydrophobicContact CG2-CE2 4.43Å; V215-F435 HydrophobicContact CG2-CG 4.29Å
216	F	92.8	Very high	96.5	Very high	151 Å²	151	46.3 Å²	46.3	66%	0.662	24%	0.235	S	C	*	.	H	α-helix	trans	-72.4	-26.4	176.2	-69.9	-62.4	0	0	0	112.5	S212	S212-F216 WeakPolarHBondContact O-CD2 3.33Å; S212-F216 PolarHBondContact O-N 3.22Å
217	R	95.1	Very high	96.5	Very high	55 Å²	55	46.9 Å²	46.9	21%	0.208	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	19.7	178.5	-68.7	-178.8	174.4	73.4	5	115.1	Y213 G214 V215 K219 D220 I221 N408	Y213-R217 WeakPolarHBondContact O-CB 3.39Å; Y213-R217 PolarHBondContact O-N 3.47Å; G214-R217 CarbonylContact O-C 3.59Å; G214-R217 VanDerWaalsContact O-C 3.32Å; G214-R217 PolarHBondContact O-N 2.92Å; V215-R217 VanDerWaalsContact C-N 3.32Å; R217-K219 PolarHBondContact O-N 3.07Å; R217-D220 WeakPolarHBondContact CA-OD2 3.47Å; R217-D220 HydrophobicContact CB-CB 4.43Å; R217-D220 VanDerWaalsContact CB-OD2 3.22Å; R217-D220 WeakPolarHBondContact CB-OD2 3.4Å; R217-D220 VanDerWaalsContact CG-OD2 3.32Å; R217-D220 WeakPolarHBondContact CG-OD2 3.5Å; R217-D220 PolarHBondContact O-N 2.82Å; R217-I221 PolarHBondContact O-N 2.98Å; R217-N408 VanDerWaalsContact NH2-CG 3.28Å; R217-N408 PolarHBondContact NH2-ND2 2.96Å; R217-N408 PolarHBondContact NH2-O 2.89Å
218	R	94.5	Very high	96.5	Very high	52 Å²	52	47.1 Å²	47.1	20%	0.196	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-22.5	-177.4	168.4	179	-84.1	107.9	-14	114.4	G214 P257 Y421 K433 P434	G214-R218 PolarHBondContact O-N 3.31Å; R218-P257 HydrophobicContact CG-CG 4.16Å; R218-Y421 PolarHBondContact NH1-OH 2.86Å; R218-Y421 PolarHBondContact NH2-OH 3.15Å; R218-K433 PolarHBondContact NH2-O 2.87Å; R218-P434 PolarHBondContact NH2-O 2.76Å
219	K	93.8	Very high	96.5	Very high	202 Å²	202	47.1 Å²	47.1	88%	0.878	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-21.6	177.2	-66	-174	179.6	-177.9	0	113.9	R217	R217-K219 PolarHBondContact O-N 3.07Å
220	D	94.3	Very high	96.5	Very high	90 Å²	90	47.3 Å²	47.3	48%	0.481	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-24.1	-169.2	-39.4	-37	0	0	0	110.4	R217 N222 Q226	R217-D220 WeakPolarHBondContact CA-OD2 3.47Å; R217-D220 HydrophobicContact CB-CB 4.43Å; R217-D220 VanDerWaalsContact CB-OD2 3.22Å; R217-D220 WeakPolarHBondContact CB-OD2 3.4Å; R217-D220 VanDerWaalsContact CG-OD2 3.32Å; R217-D220 WeakPolarHBondContact CG-OD2 3.5Å; R217-D220 PolarHBondContact O-N 2.82Å; D220-N222 PolarHBondContact O-N 2.93Å; D220-N222 PolarHBondContact O-ND2 3.48Å; D220-Q226 PolarHBondContact O-NE2 2.71Å
221	I	96.1	Very high	96.5	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.056	24%	0.24	C	C	.	.			trans	-69.3	120.8	170.3	-54.1	172.9	0	0	0	109.1	R217 Y245 M247 P257 F435	R217-I221 PolarHBondContact O-N 2.98Å; I221-Y245 HydrophobicContact CD1-CD1 3.88Å; I221-Y245 HydrophobicContact CD1-CG 4.33Å; I221-M247 HydrophobicContact CG2-CG 4.23Å; I221-M247 HydrophobicContact CG2-SD 4.4Å; I221-M247 WeakPolarHBondContact O-CG 3.36Å; I221-P257 HydrophobicContact CD1-CB 3.98Å; I221-P257 HydrophobicContact CG2-CB 4.27Å; I221-F435 HydrophobicContact CD1-CE2 3.92Å; I221-F435 HydrophobicContact CD1-CZ 3.78Å
222	N	95.1	Very high	96.5	Very high	65 Å²	65	48.8 Å²	48.8	35%	0.348	25%	0.248	S	C	.	.			trans	-125.8	-164.7	-179.7	66.8	85.1	0	0	0	110.5	D220 T224 Q226 Q246 M247	D220-N222 PolarHBondContact O-N 2.93Å; D220-N222 PolarHBondContact O-ND2 3.48Å; N222-T224 VanDerWaalsContact C-N 3.32Å; N222-T224 VanDerWaalsContact OD1-CB 3.31Å; N222-T224 WeakPolarHBondContact OD1-CB 3.3Å; N222-T224 PolarHBondContact OD1-N 2.79Å; N222-T224 PolarHBondContact OD1-OG1 3.1Å; N222-Q226 PolarHBondContact ND2-NE2 3.31Å; N222-Q246 CarbonylContact O-C 3.54Å; N222-Q246 WeakPolarHBondContact O-CA 3.45Å; N222-M247 WeakPolarHBondContact O-CB 3.35Å; N222-M247 PolarHBondContact O-N 3.07Å
223	T	94.8	Very high	96.6	Very high	107 Å²	107	48.5 Å²	48.5	66%	0.656	25%	0.246	S	C	*	.	S	Bend	trans	-75.3	-17.7	-178.3	43.9	0	0	0	0	114.3	M247 M255	T223-M247 HydrophobicContact CG2-CB 4.33Å; T223-M255 HydrophobicContact CG2-CE 4.1Å
224	T	95.9	Very high	96.5	Very high	92 Å²	92	48.2 Å²	48.2	56%	0.564	25%	0.25	S	C	*	.	S	Bend	trans	-78.9	139	172.3	-55.9	0	0	0	0	110.2	N222 Q226	N222-T224 VanDerWaalsContact C-N 3.32Å; N222-T224 VanDerWaalsContact OD1-CB 3.31Å; N222-T224 WeakPolarHBondContact OD1-CB 3.3Å; N222-T224 PolarHBondContact OD1-N 2.79Å; N222-T224 PolarHBondContact OD1-OG1 3.1Å; T224-Q226 PolarHBondContact O-N 3.06Å
225	A	96.7	Very high	96.5	Very high	44 Å²	44	48.7 Å²	48.7	36%	0.364	25%	0.253	S	S	.	.			trans	-70	116.2	177.8	0	0	0	0	0	111.3	T244	A225-T244 HydrophobicContact CB-CG2 3.64Å
226	Q	98	Very high	96.5	Very high	39 Å²	39	47.7 Å²	47.7	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.7	176.9	-73	170.6	-24.8	0	0	110.2	D220 N222 T224 T244 Y245 E378	D220-Q226 PolarHBondContact O-NE2 2.71Å; N222-Q226 PolarHBondContact ND2-NE2 3.31Å; T224-Q226 PolarHBondContact O-N 3.06Å; Q226-T244 CarbonylContact O-C 3.6Å; Q226-T244 WeakPolarHBondContact O-CA 3.25Å; Q226-Y245 PolarHBondContact N-O 2.63Å; Q226-Y245 PolarHBondContact O-N 2.91Å; Q226-E378 WeakPolarHBondContact CA-OE1 3.43Å; Q226-E378 WeakPolarHBondContact CB-OE2 3.36Å
227	N	98.4	Very high	96.8	Very high	21 Å²	21	41.1 Å²	41.1	11%	0.112	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109.7	-173.9	-65.1	-38.6	0	0	0	111.5	T244 M372 E376 I377 E378	N227-T244 PolarHBondContact OD1-OG1 3.2Å; N227-M372 HydrophobicContact CB-CE 4.01Å; N227-M372 VanDerWaalsContact ND2-CE 3.34Å; N227-M372 WeakPolarHBondContact ND2-CE 3.36Å; N227-E376 VanDerWaalsContact CB-O 3.27Å; N227-E376 WeakPolarHBondContact CB-O 3.33Å; N227-E376 PolarHBondContact ND2-O 2.73Å; N227-I377 HydrophobicContact CB-CD1 4.47Å; N227-E378 PolarHBondContact O-N 2.8Å
228	I	98.5	Very high	96.9	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.1	-175.8	-51.2	-63.8	0	0	0	109.8	Y213 F230 V243 Y245 E378 Q379 I381	Y213-I228 HydrophobicContact CE1-CG1 4.2Å; I228-F230 HydrophobicContact CB-CE2 3.98Å; I228-F230 HydrophobicContact CB-CZ 4.4Å; I228-F230 HydrophobicContact CG2-CD2 4.23Å; I228-F230 HydrophobicContact CG2-CE1 4.39Å; I228-F230 HydrophobicContact CG2-CE2 3.58Å; I228-F230 HydrophobicContact CG2-CZ 3.66Å; I228-V243 PolarHBondContact N-O 2.89Å; I228-V243 PolarHBondContact O-N 3.33Å; I228-Y245 HydrophobicContact CB-CD2 4.36Å; I228-Y245 HydrophobicContact CB-CE2 3.96Å; I228-Y245 HydrophobicContact CG1-CD2 3.81Å; I228-Y245 HydrophobicContact CG1-CE2 3.82Å; I228-E378 HydrophobicContact CD1-CB 4.21Å; I228-Q379 HydrophobicContact CD1-CB 4.12Å; I228-I381 HydrophobicContact CG2-CD1 3.45Å; I228-I381 VanDerWaalsContact CG2-CD1 3.45Å; I228-I381 HydrophobicContact CG2-CG1 3.95Å
229	M	98.8	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.9	174.5	179.9	-177.8	-72.4	0	0	109.9	C240 T241 I242 V363 L367 L374 I377 Q379 V380 I381 V400	M229-C240 WeakPolarHBondContact CG-SG 3.45Å; M229-T241 CarbonylContact C-O 3.49Å; M229-T241 WeakPolarHBondContact CA-O 3.34Å; M229-I242 HydrophobicContact CE-CD1 4.07Å; M229-I242 HydrophobicContact CE-CG1 3.92Å; M229-I242 HydrophobicContact CG-CG1 4.47Å; M229-V363 HydrophobicContact CE-CG1 3.97Å; M229-V363 HydrophobicContact SD-CG1 4.01Å; M229-L367 HydrophobicContact CE-CD2 4.07Å; M229-L367 HydrophobicContact CE-CG 4.12Å; M229-L374 HydrophobicContact CE-CD2 4.37Å; M229-I377 HydrophobicContact CB-CG2 3.67Å; M229-I377 HydrophobicContact CE-CD1 4.42Å; M229-I377 HydrophobicContact CE-CG1 4.15Å; M229-Q379 PolarHBondContact N-O 2.95Å; M229-V380 HydrophobicContact CB-CG2 4.17Å; M229-V380 HydrophobicContact CG-CG1 4.33Å; M229-V380 HydrophobicContact CG-CG2 4.49Å; M229-V380 CarbonylContact O-C 3.56Å; M229-V380 WeakPolarHBondContact O-CA 3.49Å; M229-V380 HydrophobicContact SD-CG1 4.16Å; M229-V380 HydrophobicContact SD-CG2 3.97Å; M229-I381 PolarHBondContact O-N 3.23Å; M229-V400 HydrophobicContact SD-CG1 4.35Å
230	F	98.8	Very high	97.4	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.6	170.5	-63.2	-92.3	0	0	0	109	T209 A210 Y213 I228 C240 T241 V243 Y245 I381 V383	T209-F230 HydrophobicContact CG2-CD1 4.18Å; A210-F230 HydrophobicContact CB-CE2 4.29Å; Y213-F230 AromaticContact CD1-CZ 3.84Å; Y213-F230 HydrophobicContact CD1-CZ 3.84Å; Y213-F230 AromaticContact CD2-CE1 3.99Å; Y213-F230 HydrophobicContact CD2-CE1 3.99Å; Y213-F230 HydrophobicContact CD2-CZ 4.03Å; Y213-F230 HydrophobicContact CE1-CZ 4.44Å; Y213-F230 AromaticContact CG-CE1 3.92Å; Y213-F230 HydrophobicContact CG-CE1 3.92Å; Y213-F230 AromaticContact CG-CZ 3.6Å; Y213-F230 HydrophobicContact CG-CZ 3.6Å; I228-F230 HydrophobicContact CB-CE2 3.98Å; I228-F230 HydrophobicContact CB-CZ 4.4Å; I228-F230 HydrophobicContact CG2-CD2 4.23Å; I228-F230 HydrophobicContact CG2-CE1 4.39Å; I228-F230 HydrophobicContact CG2-CE2 3.58Å; I228-F230 HydrophobicContact CG2-CZ 3.66Å; F230-C240 CarbonylContact O-C 3.58Å; F230-C240 WeakPolarHBondContact O-CA 3.08Å; F230-T241 PolarHBondContact N-O 3.4Å; F230-T241 PolarHBondContact O-N 3.19Å; F230-V243 HydrophobicContact CD2-CB 4.43Å; F230-V243 HydrophobicContact CD2-CG2 3.79Å; F230-V243 HydrophobicContact CE2-CB 4.14Å; F230-V243 HydrophobicContact CE2-CG2 3.92Å; F230-Y245 HydrophobicContact CE2-CE2 4.08Å; F230-Y245 WeakPolarHBondContact CE2-OH 3.34Å; F230-Y245 HydrophobicContact CZ-CE2 4.3Å; F230-Y245 VanDerWaalsContact CZ-OH 3.3Å; F230-Y245 WeakPolarHBondContact CZ-OH 3.32Å; F230-I381 HydrophobicContact CD1-CB 4.06Å; F230-I381 HydrophobicContact CD1-CG2 4.19Å; F230-I381 HydrophobicContact CE1-CB 4.22Å; F230-I381 HydrophobicContact CE1-CD1 3.89Å; F230-I381 HydrophobicContact CE1-CG2 4.24Å; F230-I381 HydrophobicContact CZ-CD1 4.18Å; F230-V383 HydrophobicContact CB-CG2 4.36Å; F230-V383 HydrophobicContact CD1-CG2 4.14Å
231	Y	98.8	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	102.8	174.7	-172.7	-83.3	0	0	0	109.1	M233 T238 C240 V359 P362 V363 I381 V383 T387 L396	Y231-M233 HydrophobicContact CE1-CB 4.01Å; Y231-T238 HydrophobicContact CE1-CG2 3.99Å; Y231-T238 HydrophobicContact CE2-CG2 3.84Å; Y231-T238 VanDerWaalsContact CZ-CG2 3.47Å; Y231-T238 WeakPolarHBondContact OH-CG2 3.17Å; Y231-C240 HydrophobicContact CD2-CB 4.06Å; Y231-V359 PolarHBondContact OH-O 2.84Å; Y231-P362 HydrophobicContact CE2-CB 4.47Å; Y231-V363 HydrophobicContact CD2-CG2 3.86Å; Y231-V363 HydrophobicContact CE2-CG2 3.91Å; Y231-I381 PolarHBondContact N-O 3.11Å; Y231-V383 PolarHBondContact O-N 2.83Å; Y231-T387 HydrophobicContact CD1-CG2 3.88Å; Y231-T387 HydrophobicContact CE1-CG2 4.17Å; Y231-L396 HydrophobicContact CD1-CD1 4.44Å; Y231-L396 HydrophobicContact CD1-CD2 3.49Å; Y231-L396 VanDerWaalsContact CD1-CD2 3.49Å; Y231-L396 HydrophobicContact CD2-CD1 3.67Å; Y231-L396 HydrophobicContact CD2-CD2 4.14Å; Y231-L396 HydrophobicContact CE1-CD1 4.5Å; Y231-L396 HydrophobicContact CE1-CD2 3.93Å; Y231-L396 HydrophobicContact CE2-CD1 3.76Å; Y231-L396 HydrophobicContact CG-CD1 4.04Å; Y231-L396 HydrophobicContact CG-CD2 3.61Å; Y231-L396 HydrophobicContact CG-CG 4.5Å
232	D	98.5	Very high	97.7	Very high	33 Å²	33	21.9 Å²	21.9	18%	0.176	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	120	173.9	-164.7	-33.6	0	0	0	109.8	G234 T238 V239 V383 G384	D232-G234 PolarHBondContact OD1-N 3.12Å; D232-T238 CarbonylContact O-C 3.51Å; D232-T238 VanDerWaalsContact O-CA 3.27Å; D232-T238 WeakPolarHBondContact O-CA 3.31Å; D232-T238 WeakPolarHBondContact O-CG2 3.39Å; D232-V239 PolarHBondContact N-O 2.97Å; D232-V239 PolarHBondContact O-N 2.85Å; D232-V383 HydrophobicContact CB-CB 3.81Å; D232-V383 HydrophobicContact CB-CG1 4.18Å; D232-V383 VanDerWaalsContact OD2-CG1 3.25Å; D232-V383 WeakPolarHBondContact OD2-CG1 3.35Å; D232-G384 WeakPolarHBondContact OD1-CA 3.35Å; D232-G384 PolarHBondContact OD1-N 3.19Å
233	M	98.5	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	98	163.7	-167.4	176.7	172.8	0	0	109	Y231 T238 L270 M275 V383 G384 G385 A386 T387 V392	Y231-M233 HydrophobicContact CE1-CB 4.01Å; M233-T238 WeakPolarHBondContact CG-OG1 3.22Å; M233-L270 HydrophobicContact CE-CD1 3.67Å; M233-L270 HydrophobicContact CE-CG 3.81Å; M233-M275 HydrophobicContact CE-CE 3.49Å; M233-M275 VanDerWaalsContact CE-CE 3.49Å; M233-V383 PolarHBondContact N-O 2.8Å; M233-G384 CarbonylContact O-C 3.54Å; M233-G384 WeakPolarHBondContact O-CA 3.38Å; M233-G385 PolarHBondContact O-N 3.25Å; M233-A386 HydrophobicContact CB-CB 4.42Å; M233-A386 HydrophobicContact CE-CB 4.31Å; M233-A386 HydrophobicContact CG-CB 3.93Å; M233-A386 PolarHBondContact O-N 3.09Å; M233-A386 HydrophobicContact SD-CB 4.25Å; M233-T387 HydrophobicContact CB-CG2 3.66Å; M233-V392 HydrophobicContact SD-CG1 3.74Å; M233-V392 HydrophobicContact SD-CG2 3.97Å
234	G	96.9	Very high	98.1	Very high	16 Å²	16	14.2 Å²	14.2	17%	0.165	9%	0.091	C	C	.	.			trans	-79.3	-155.4	179.4	0	0	0	0	0	112.6	D232 S237 G272 A386	D232-G234 PolarHBondContact OD1-N 3.12Å; G234-S237 PolarHBondContact N-O 3.06Å; G234-G272 PolarHBondContact O-N 2.77Å; G234-A386 WeakPolarHBondContact O-CB 3.26Å
235	S	96.8	Very high	98.2	Very high	10 Å²	10	10 Å²	10	7%	0.07	6%	0.064	C	C	.	.	S	Bend	trans	-89.4	-38.8	174.9	-166.2	0	0	0	0	112.8	E43 Y99 G271 G272 L273	E43-S235 WeakPolarHBondContact OE2-CB 3.2Å; E43-S235 PolarHBondContact OE2-OG 3.27Å; Y99-S235 WeakPolarHBondContact CE1-OG 3.21Å; Y99-S235 PolarHBondContact OH-OG 2.85Å; S235-G271 CarbonylContact O-C 3.5Å; S235-G271 VanDerWaalsContact O-C 3.23Å; S235-G271 WeakPolarHBondContact O-CA 3.45Å; S235-G272 PolarHBondContact O-N 2.95Å; S235-G272 VanDerWaalsContact O-N 3.1Å; S235-L273 WeakPolarHBondContact O-CB 3.36Å; S235-L273 PolarHBondContact O-N 3.24Å; S235-L273 PolarHBondContact OG-N 2.82Å
236	G	96.1	Very high	98.3	Very high	3 Å²	3	10.4 Å²	10.4	3%	0.031	6%	0.059	C	C	.	.	S	Bend	trans	-95.3	-22	-179.7	0	0	0	0	0	116.4	S42 H102	S42-G236 PolarHBondContact OG-N 2.82Å; H102-G236 PolarHBondContact CE1-O 3.02Å
237	S	97.9	Very high	98.2	Very high	12 Å²	12	10.7 Å²	10.7	8%	0.084	6%	0.061	C	C	.	.			trans	-160	162.4	-168.2	53.9	0	0	0	0	113	F179 G234 D267 L270	F179-S237 WeakPolarHBondContact CZ-OG 3.09Å; G234-S237 PolarHBondContact N-O 3.06Å; S237-D267 WeakPolarHBondContact CA-O 3.43Å; S237-D267 WeakPolarHBondContact CB-O 3.4Å; S237-L270 CarbonylContact C-O 3.59Å; S237-L270 WeakPolarHBondContact CA-O 3.5Å; S237-L270 PolarHBondContact N-O 3.22Å
238	T	98.8	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.4	170.6	-58.1	0	0	0	0	110.3	Y231 D232 M233 F266 D267 L270 P362	Y231-T238 HydrophobicContact CE1-CG2 3.99Å; Y231-T238 HydrophobicContact CE2-CG2 3.84Å; Y231-T238 VanDerWaalsContact CZ-CG2 3.47Å; Y231-T238 WeakPolarHBondContact OH-CG2 3.17Å; D232-T238 CarbonylContact O-C 3.51Å; D232-T238 VanDerWaalsContact O-CA 3.27Å; D232-T238 WeakPolarHBondContact O-CA 3.31Å; D232-T238 WeakPolarHBondContact O-CG2 3.39Å; M233-T238 WeakPolarHBondContact CG-OG1 3.22Å; T238-F266 CarbonylContact O-C 3.52Å; T238-F266 VanDerWaalsContact O-CA 3.26Å; T238-F266 WeakPolarHBondContact O-CA 3.44Å; T238-F266 WeakPolarHBondContact O-CB 3.4Å; T238-D267 PolarHBondContact N-O 2.97Å; T238-D267 PolarHBondContact O-N 3.49Å; T238-L270 PolarHBondContact N-O 2.89Å; T238-L270 VanDerWaalsContact N-O 3.13Å; T238-L270 WeakPolarHBondContact OG1-CD2 3.47Å; T238-L270 WeakPolarHBondContact OG1-CG 3.25Å; T238-L270 PolarHBondContact OG1-O 2.89Å; T238-P362 HydrophobicContact CG2-CB 4.13Å; T238-P362 HydrophobicContact CG2-CG 3.78Å
239	V	98.7	Very high	97.8	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.03	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.9	170.6	178.2	0	0	0	0	109.2	V178 F179 N206 D232 T241 F266	V178-V239 HydrophobicContact CG1-CG1 3.62Å; V178-V239 HydrophobicContact CG1-CG2 4.07Å; F179-V239 HydrophobicContact CD1-CG2 4.01Å; F179-V239 HydrophobicContact CE1-CG2 3.87Å; N206-V239 HydrophobicContact CB-CG1 4.22Å; D232-V239 PolarHBondContact N-O 2.97Å; D232-V239 PolarHBondContact O-N 2.85Å; V239-T241 WeakPolarHBondContact CG1-OG1 3.41Å; V239-F266 HydrophobicContact CG2-CB 4.29Å
240	C	98.8	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.6	164.4	-171.2	0	0	0	0	109.2	M229 F230 Y231 V264 G265 P362 A366	M229-C240 WeakPolarHBondContact CG-SG 3.45Å; F230-C240 CarbonylContact O-C 3.58Å; F230-C240 WeakPolarHBondContact O-CA 3.08Å; Y231-C240 HydrophobicContact CD2-CB 4.06Å; C240-V264 WeakPolarHBondContact O-CA 3.49Å; C240-G265 PolarHBondContact N-O 3.03Å; C240-G265 PolarHBondContact O-N 2.88Å; C240-G265 VanDerWaalsContact O-O 3.1Å; C240-P362 HydrophobicContact CB-CB 3.81Å; C240-P362 WeakPolarHBondContact CB-O 3.46Å; C240-A366 HydrophobicContact CB-CB 4.03Å
241	T	98.8	Very high	96.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	125.4	-176.7	-62.2	0	0	0	0	111.1	N206 M229 F230 V239 V243 I261 G263 V264	N206-T241 HydrophobicContact CB-CG2 4.32Å; N206-T241 WeakPolarHBondContact CB-OG1 3.45Å; N206-T241 WeakPolarHBondContact ND2-CG2 3.46Å; N206-T241 PolarHBondContact ND2-OG1 2.91Å; M229-T241 CarbonylContact C-O 3.49Å; M229-T241 WeakPolarHBondContact CA-O 3.34Å; F230-T241 PolarHBondContact N-O 3.4Å; F230-T241 PolarHBondContact O-N 3.19Å; V239-T241 WeakPolarHBondContact CG1-OG1 3.41Å; T241-V243 HydrophobicContact CG2-CG2 3.79Å; T241-I261 HydrophobicContact CG2-CD1 3.98Å; T241-I261 HydrophobicContact CG2-CG2 4.02Å; T241-G263 CarbonylContact C-O 3.54Å; T241-G263 WeakPolarHBondContact CA-O 3.43Å; T241-V264 HydrophobicContact CG2-CG2 4.29Å
242	I	98.9	Very high	95.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.4	174.1	-59.9	166.4	0	0	0	108	M229 R262 G263 A366 L367 A370 M372 I377	M229-I242 HydrophobicContact CE-CD1 4.07Å; M229-I242 HydrophobicContact CE-CG1 3.92Å; M229-I242 HydrophobicContact CG-CG1 4.47Å; I242-R262 HydrophobicContact CB-CB 4.32Å; I242-R262 HydrophobicContact CG2-CB 4.03Å; I242-R262 PolarHBondContact O-N 2.95Å; I242-G263 PolarHBondContact N-O 2.98Å; I242-G263 PolarHBondContact O-N 2.89Å; I242-A366 HydrophobicContact CD1-CB 4.18Å; I242-A366 HydrophobicContact CG1-CB 4.27Å; I242-L367 HydrophobicContact CD1-CB 4.47Å; I242-L367 HydrophobicContact CD1-CD2 3.78Å; I242-L367 HydrophobicContact CD1-CG 4.07Å; I242-A370 HydrophobicContact CD1-CB 3.89Å; I242-M372 HydrophobicContact CG2-CE 4.3Å; I242-M372 HydrophobicContact CG2-SD 4.02Å; I242-I377 HydrophobicContact CD1-CD1 4.06Å; I242-I377 HydrophobicContact CG1-CD1 4.08Å; I242-I377 HydrophobicContact CG2-CD1 3.71Å
243	V	98.8	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.4	-176.1	-172.1	0	0	0	0	109.7	A210 I228 F230 T241 Y245 L259 Q260 I261	A210-V243 HydrophobicContact CB-CG1 4.28Å; A210-V243 HydrophobicContact CB-CG2 4.01Å; I228-V243 PolarHBondContact N-O 2.89Å; I228-V243 PolarHBondContact O-N 3.33Å; F230-V243 HydrophobicContact CD2-CB 4.43Å; F230-V243 HydrophobicContact CD2-CG2 3.79Å; F230-V243 HydrophobicContact CE2-CB 4.14Å; F230-V243 HydrophobicContact CE2-CG2 3.92Å; T241-V243 HydrophobicContact CG2-CG2 3.79Å; V243-Y245 HydrophobicContact CB-CE2 4.03Å; V243-Y245 HydrophobicContact CG1-CD2 4.29Å; V243-Y245 HydrophobicContact CG1-CE1 4.21Å; V243-Y245 HydrophobicContact CG1-CE2 3.76Å; V243-L259 HydrophobicContact CG1-CB 3.87Å; V243-L259 HydrophobicContact CG1-CD1 4.19Å; V243-Q260 WeakPolarHBondContact CA-O 3.35Å; V243-I261 HydrophobicContact CG1-CD1 4.4Å; V243-I261 HydrophobicContact CG2-CD1 3.76Å
244	T	98.6	Very high	93.9	Very high	12 Å²	12	42.5 Å²	42.5	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.8	168.1	-56.2	0	0	0	0	109.6	A225 Q226 N227 Q246 L259 Q260 R262	A225-T244 HydrophobicContact CB-CG2 3.64Å; Q226-T244 CarbonylContact O-C 3.6Å; Q226-T244 WeakPolarHBondContact O-CA 3.25Å; N227-T244 PolarHBondContact OD1-OG1 3.2Å; T244-Q246 HydrophobicContact CG2-CG 4.45Å; T244-L259 CarbonylContact O-C 3.5Å; T244-L259 WeakPolarHBondContact O-CA 3.49Å; T244-Q260 PolarHBondContact N-O 2.98Å; T244-Q260 PolarHBondContact O-N 2.97Å; T244-R262 WeakPolarHBondContact OG1-CG 3.32Å
245	Y	98.6	Very high	93.7	Very high	2 Å²	2	46 Å²	46	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.1	166.2	-60.3	-88.6	0	0	0	110.3	A210 Y213 I221 Q226 I228 F230 V243 Q258 L259 F435	A210-Y245 VanDerWaalsContact CA-OH 3.24Å; A210-Y245 WeakPolarHBondContact CA-OH 3.22Å; A210-Y245 WeakPolarHBondContact CB-OH 3.44Å; A210-Y245 PolarHBondContact O-OH 3.14Å; Y213-Y245 HydrophobicContact CD1-CE1 4.25Å; Y213-Y245 AromaticContact CD1-CE2 3.79Å; Y213-Y245 HydrophobicContact CD1-CE2 3.79Å; Y213-Y245 AromaticContact CD1-CZ 3.61Å; Y213-Y245 HydrophobicContact CE1-CD2 4.46Å; Y213-Y245 AromaticContact CE1-CE2 3.99Å; Y213-Y245 HydrophobicContact CE1-CE2 3.99Å; I221-Y245 HydrophobicContact CD1-CD1 3.88Å; I221-Y245 HydrophobicContact CD1-CG 4.33Å; Q226-Y245 PolarHBondContact N-O 2.63Å; Q226-Y245 PolarHBondContact O-N 2.91Å; I228-Y245 HydrophobicContact CB-CD2 4.36Å; I228-Y245 HydrophobicContact CB-CE2 3.96Å; I228-Y245 HydrophobicContact CG1-CD2 3.81Å; I228-Y245 HydrophobicContact CG1-CE2 3.82Å; F230-Y245 HydrophobicContact CE2-CE2 4.08Å; F230-Y245 WeakPolarHBondContact CE2-OH 3.34Å; F230-Y245 HydrophobicContact CZ-CE2 4.3Å; F230-Y245 VanDerWaalsContact CZ-OH 3.3Å; F230-Y245 WeakPolarHBondContact CZ-OH 3.32Å; V243-Y245 HydrophobicContact CB-CE2 4.03Å; V243-Y245 HydrophobicContact CG1-CD2 4.29Å; V243-Y245 HydrophobicContact CG1-CE1 4.21Å; V243-Y245 HydrophobicContact CG1-CE2 3.76Å; Y245-Q258 WeakPolarHBondContact CA-O 3.41Å; Y245-L259 HydrophobicContact CD1-CB 3.76Å; Y245-L259 HydrophobicContact CE1-CB 3.57Å; Y245-L259 HydrophobicContact CE1-CD2 4.5Å; Y245-F435 HydrophobicContact CD1-CZ 4.28Å; Y245-F435 HydrophobicContact CE1-CZ 4.48Å
246	Q	97.8	Very high	93.7	Very high	53 Å²	53	47.1 Å²	47.1	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	156	178	54.6	177.6	11.5	0	0	111.6	N222 T244 V248 Q258	N222-Q246 CarbonylContact O-C 3.54Å; N222-Q246 WeakPolarHBondContact O-CA 3.45Å; T244-Q246 HydrophobicContact CG2-CG 4.45Å; Q246-V248 HydrophobicContact CG-CG1 3.89Å; Q246-Q258 PolarHBondContact N-O 3.32Å; Q246-Q258 WeakPolarHBondContact O-CB 3.33Å; Q246-Q258 PolarHBondContact O-N 3.34Å
247	M	97.2	Very high	93.7	Very high	45 Å²	45	47.1 Å²	47.1	22%	0.222	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.6	171.9	-70.4	-65	-66.2	0	0	110.4	I221 N222 T223 M255 P257	I221-M247 HydrophobicContact CG2-CG 4.23Å; I221-M247 HydrophobicContact CG2-SD 4.4Å; I221-M247 WeakPolarHBondContact O-CG 3.36Å; N222-M247 WeakPolarHBondContact O-CB 3.35Å; N222-M247 PolarHBondContact O-N 3.07Å; T223-M247 HydrophobicContact CG2-CB 4.33Å; M247-M255 HydrophobicContact CB-CE 4.03Å; M247-M255 HydrophobicContact CE-CB 3.97Å; M247-M255 VanDerWaalsContact O-CE 3.25Å; M247-M255 WeakPolarHBondContact O-CE 3.3Å; M247-P257 VanDerWaalsContact SD-CA 3.55Å; M247-P257 HydrophobicContact SD-CB 3.83Å; M247-P257 HydrophobicContact SD-CG 4.46Å; M247-P257 VanDerWaalsContact SD-N 3.38Å
248	V	95.3	Very high	93.7	Very high	27 Å²	27	47.6 Å²	47.6	16%	0.164	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.7	-177.9	-57.2	0	0	0	0	112.6	Q246 T250 M255 Q256 Q258 V436	Q246-V248 HydrophobicContact CG-CG1 3.89Å; V248-T250 HydrophobicContact CG2-CG2 4.31Å; V248-T250 PolarHBondContact O-N 2.8Å; V248-M255 CarbonylContact O-C 3.54Å; V248-M255 WeakPolarHBondContact O-CA 3.3Å; V248-Q256 PolarHBondContact N-O 2.89Å; V248-Q256 PolarHBondContact O-N 3.25Å; V248-Q258 HydrophobicContact CG1-CB 3.87Å; V248-Q258 HydrophobicContact CG1-CG 4.45Å; V248-Q258 HydrophobicContact CG2-CB 3.84Å; V248-V436 HydrophobicContact CG2-CG2 4.24Å
249	K	93.3	Very high	93.7	Very high	185 Å²	185	47.6 Å²	47.6	80%	0.804	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	113.5	174.1	-169.1	176	179.9	-179.7	0	110.6	M255	K249-M255 HydrophobicContact CB-SD 3.73Å; K249-M255 HydrophobicContact CG-SD 4.31Å
250	T	88.7	Confident	93.6	Very high	36 Å²	36	49.5 Å²	49.5	22%	0.221	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	151	173.6	66.6	0	0	0	0	111	V248 E252 A253 G254 Q256 V436	V248-T250 HydrophobicContact CG2-CG2 4.31Å; V248-T250 PolarHBondContact O-N 2.8Å; T250-E252 VanDerWaalsContact C-N 3.31Å; T250-E252 PolarHBondContact O-N 3.42Å; T250-A253 PolarHBondContact OG1-N 3.41Å; T250-A253 VanDerWaalsContact OG1-N 3.16Å; T250-G254 PolarHBondContact N-O 2.91Å; T250-G254 PolarHBondContact O-N 3.11Å; T250-G254 PolarHBondContact OG1-N 3.47Å; T250-G254 PolarHBondContact OG1-O 3.49Å; T250-Q256 HydrophobicContact CG2-CB 3.96Å; T250-Q256 HydrophobicContact CG2-CG 4.05Å; T250-V436 HydrophobicContact CG2-CG2 3.78Å
251	K	83.8	Confident	93.6	Very high	217 Å²	217	49.6 Å²	49.6	94%	0.943	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-31.5	177.6	-66.5	-170.2	178.1	-175.1	0	113
252	E	75.9	Confident	93.6	Very high	192 Å²	192	53.8 Å²	53.8	90%	0.897	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-26.3	-168.5	-68.6	155.5	-144.8	0	0	114	T250	T250-E252 VanDerWaalsContact C-N 3.31Å; T250-E252 PolarHBondContact O-N 3.42Å
253	A	74.4	Confident	93.6	Very high	41 Å²	41	53.8 Å²	53.8	34%	0.339	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	15.1	-169	0	0	0	0	0	114.1	T250 Q256 P434	T250-A253 PolarHBondContact OG1-N 3.41Å; T250-A253 VanDerWaalsContact OG1-N 3.16Å; A253-Q256 HydrophobicContact CB-CG 3.83Å; A253-Q256 PolarHBondContact O-NE2 2.95Å; A253-P434 HydrophobicContact CB-CG 4.26Å
254	G	87.8	Confident	93.6	Very high	35 Å²	35	54.1 Å²	54.1	36%	0.361	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.9	-143.5	-178.7	0	0	0	0	0	112.4	T250 Q256	T250-G254 PolarHBondContact N-O 2.91Å; T250-G254 PolarHBondContact O-N 3.11Å; T250-G254 PolarHBondContact OG1-N 3.47Å; T250-G254 PolarHBondContact OG1-O 3.49Å; G254-Q256 PolarHBondContact O-N 2.93Å
255	M	93.6	Very high	93.6	Very high	91 Å²	91	53.5 Å²	53.5	45%	0.448	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120.4	178	-62.4	-57.9	-70.2	0	0	110.7	T223 M247 V248 K249	T223-M255 HydrophobicContact CG2-CE 4.1Å; M247-M255 HydrophobicContact CB-CE 4.03Å; M247-M255 HydrophobicContact CE-CB 3.97Å; M247-M255 VanDerWaalsContact O-CE 3.25Å; M247-M255 WeakPolarHBondContact O-CE 3.3Å; V248-M255 CarbonylContact O-C 3.54Å; V248-M255 WeakPolarHBondContact O-CA 3.3Å; K249-M255 HydrophobicContact CB-SD 3.73Å; K249-M255 HydrophobicContact CG-SD 4.31Å
256	Q	95.8	Very high	93.6	Very high	33 Å²	33	53.9 Å²	53.9	15%	0.154	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.3	178.5	-65.3	-60.5	-36.1	0	0	110.6	V248 T250 A253 G254 P434 V436	V248-Q256 PolarHBondContact N-O 2.89Å; V248-Q256 PolarHBondContact O-N 3.25Å; T250-Q256 HydrophobicContact CG2-CB 3.96Å; T250-Q256 HydrophobicContact CG2-CG 4.05Å; A253-Q256 HydrophobicContact CB-CG 3.83Å; A253-Q256 PolarHBondContact O-NE2 2.95Å; G254-Q256 PolarHBondContact O-N 2.93Å; Q256-P434 HydrophobicContact CG-CB 4.17Å; Q256-P434 PolarHBondContact OE1-O 3.27Å; Q256-V436 HydrophobicContact CB-CG2 4.22Å
257	P	97.2	Very high	93.6	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.019	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	138.7	173.7	30.6	-36.6	0	0	0	109.9	R218 I221 M247 F435 V436	R218-P257 HydrophobicContact CG-CG 4.16Å; I221-P257 HydrophobicContact CD1-CB 3.98Å; I221-P257 HydrophobicContact CG2-CB 4.27Å; M247-P257 VanDerWaalsContact SD-CA 3.55Å; M247-P257 HydrophobicContact SD-CB 3.83Å; M247-P257 HydrophobicContact SD-CG 4.46Å; M247-P257 VanDerWaalsContact SD-N 3.38Å; P257-F435 HydrophobicContact CB-CD2 4.02Å; P257-F435 HydrophobicContact CB-CE2 3.66Å; P257-F435 HydrophobicContact CB-CZ 4.02Å; P257-F435 HydrophobicContact CG-CD2 3.54Å; P257-F435 HydrophobicContact CG-CE2 3.7Å; P257-F435 HydrophobicContact CG-CG 4.17Å; P257-F435 HydrophobicContact CG-CZ 4.45Å; P257-V436 PolarHBondContact O-N 3.13Å
258	Q	97.1	Very high	93.5	Very high	21 Å²	21	50.7 Å²	50.7	10%	0.098	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.1	172.6	176.9	171.4	87.9	0	0	109.7	Y245 Q246 V248 V436	Y245-Q258 WeakPolarHBondContact CA-O 3.41Å; Q246-Q258 PolarHBondContact N-O 3.32Å; Q246-Q258 WeakPolarHBondContact O-CB 3.33Å; Q246-Q258 PolarHBondContact O-N 3.34Å; V248-Q258 HydrophobicContact CG1-CB 3.87Å; V248-Q258 HydrophobicContact CG1-CG 4.45Å; V248-Q258 HydrophobicContact CG2-CB 3.84Å; Q258-V436 CarbonylContact C-O 3.57Å; Q258-V436 VanDerWaalsContact CA-O 3.26Å; Q258-V436 WeakPolarHBondContact CA-O 3.22Å; Q258-V436 HydrophobicContact CB-CB 3.98Å; Q258-V436 HydrophobicContact CG-CB 4.15Å; Q258-V436 HydrophobicContact CG-CG1 4.19Å
259	L	98.1	Very high	93.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.4	152	75.9	90.6	0	0	0	108.2	T207 A210 L211 V243 T244 Y245 I261 F435 V436 V437 R438	T207-L259 HydrophobicContact CG2-CD1 4.24Å; A210-L259 HydrophobicContact CB-CD1 4.48Å; A210-L259 HydrophobicContact CB-CD2 4.27Å; L211-L259 HydrophobicContact CB-CD2 3.85Å; L211-L259 HydrophobicContact CD1-CD2 4.12Å; V243-L259 HydrophobicContact CG1-CB 3.87Å; V243-L259 HydrophobicContact CG1-CD1 4.19Å; T244-L259 CarbonylContact O-C 3.5Å; T244-L259 WeakPolarHBondContact O-CA 3.49Å; Y245-L259 HydrophobicContact CD1-CB 3.76Å; Y245-L259 HydrophobicContact CE1-CB 3.57Å; Y245-L259 HydrophobicContact CE1-CD2 4.5Å; L259-I261 HydrophobicContact CD1-CD1 3.97Å; L259-I261 HydrophobicContact CD1-CG1 4.44Å; L259-F435 HydrophobicContact CB-CE1 3.93Å; L259-F435 HydrophobicContact CD2-CD1 4.39Å; L259-F435 HydrophobicContact CD2-CE1 3.85Å; L259-F435 HydrophobicContact CG-CE1 4.12Å; L259-V436 PolarHBondContact N-O 2.72Å; L259-V437 HydrophobicContact CD1-CG1 4.3Å; L259-V437 HydrophobicContact CD2-CG2 4.36Å; L259-R438 PolarHBondContact O-N 3.33Å
260	Q	98.3	Very high	93.8	Very high	45 Å²	45	42.2 Å²	42.2	21%	0.21	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.5	168.9	177.1	170.8	-9.9	0	0	109.7	V243 T244 R262 R438	V243-Q260 WeakPolarHBondContact CA-O 3.35Å; T244-Q260 PolarHBondContact N-O 2.98Å; T244-Q260 PolarHBondContact O-N 2.97Å; Q260-R262 PolarHBondContact O-N 2.98Å; Q260-R438 WeakPolarHBondContact CA-O 3.36Å; Q260-R438 HydrophobicContact CB-CB 4.05Å; Q260-R438 HydrophobicContact CG-CB 4.04Å
261	I	98.7	Very high	94.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	120.6	168.2	-53.2	-53.5	0	0	0	107.9	T241 V243 L259 V264 R438 A440 M473	T241-I261 HydrophobicContact CG2-CD1 3.98Å; T241-I261 HydrophobicContact CG2-CG2 4.02Å; V243-I261 HydrophobicContact CG1-CD1 4.4Å; V243-I261 HydrophobicContact CG2-CD1 3.76Å; L259-I261 HydrophobicContact CD1-CD1 3.97Å; L259-I261 HydrophobicContact CD1-CG1 4.44Å; I261-V264 HydrophobicContact CG2-CG2 3.63Å; I261-R438 PolarHBondContact N-O 2.87Å; I261-A440 HydrophobicContact CB-CB 3.92Å; I261-A440 HydrophobicContact CG2-CB 3.92Å; I261-M473 HydrophobicContact CG2-CE 4.25Å
262	R	98.5	Very high	94.9	Very high	90 Å²	90	30.1 Å²	30.1	34%	0.34	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-48.6	179.7	-71	-63.4	-53.7	168.5	8.9	111.7	I242 T244 Q260 A370 M372 M473	I242-R262 HydrophobicContact CB-CB 4.32Å; I242-R262 HydrophobicContact CG2-CB 4.03Å; I242-R262 PolarHBondContact O-N 2.95Å; T244-R262 WeakPolarHBondContact OG1-CG 3.32Å; Q260-R262 PolarHBondContact O-N 2.98Å; R262-A370 HydrophobicContact CB-CB 4.07Å; R262-A370 PolarHBondContact NH2-O 3.16Å; R262-A370 VanDerWaalsContact NH2-O 3.1Å; R262-A370 WeakPolarHBondContact O-CA 3.46Å; R262-M372 HydrophobicContact CB-SD 4.25Å; R262-M372 HydrophobicContact CG-SD 4.35Å; R262-M473 WeakPolarHBondContact O-CE 3.17Å
263	G	98.4	Very high	96	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.4	-175.2	0	0	0	0	0	112	T241 I242 A366 S369	T241-G263 CarbonylContact C-O 3.54Å; T241-G263 WeakPolarHBondContact CA-O 3.43Å; I242-G263 PolarHBondContact N-O 2.98Å; I242-G263 PolarHBondContact O-N 2.89Å; G263-A366 WeakPolarHBondContact CA-O 3.34Å; G263-S369 WeakPolarHBondContact CA-OG 3.49Å
264	V	98.6	Very high	97.1	Very high	6 Å²	6	21 Å²	21	4%	0.036	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126	177.1	177.1	0	0	0	0	109.5	V178 C240 T241 I261 F266 S369 V442 M473	V178-V264 HydrophobicContact CB-CG1 4.44Å; V178-V264 HydrophobicContact CG1-CG1 3.58Å; V178-V264 HydrophobicContact CG2-CG1 3.98Å; V178-V264 HydrophobicContact CG2-CG2 4.19Å; C240-V264 WeakPolarHBondContact O-CA 3.49Å; T241-V264 HydrophobicContact CG2-CG2 4.29Å; I261-V264 HydrophobicContact CG2-CG2 3.63Å; V264-F266 HydrophobicContact CG1-CD1 4.32Å; V264-S369 PolarHBondContact N-OG 3.26Å; V264-S369 PolarHBondContact O-OG 3.46Å; V264-V442 HydrophobicContact CG1-CG2 4.37Å; V264-M473 HydrophobicContact CB-CE 4.39Å; V264-M473 HydrophobicContact CG2-CE 4.04Å
265	G	98.4	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.9	169.9	0	0	0	0	0	110.3	C240 P362	C240-G265 PolarHBondContact N-O 3.03Å; C240-G265 PolarHBondContact O-N 2.88Å; C240-G265 VanDerWaalsContact O-O 3.1Å; G265-P362 WeakPolarHBondContact CA-O 3.36Å
266	F	98.3	Very high	97.8	Very high	9 Å²	9	15.1 Å²	15.1	4%	0.039	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.4	-174.6	56.8	-99.3	0	0	0	113.3	F179 T238 V239 V264 R268 Q365 V442 Y443 L503	F179-F266 HydrophobicContact CB-CD1 3.82Å; F179-F266 HydrophobicContact CB-CD2 3.99Å; F179-F266 HydrophobicContact CB-CE1 3.85Å; F179-F266 HydrophobicContact CB-CE2 4.03Å; F179-F266 HydrophobicContact CB-CG 3.9Å; F179-F266 HydrophobicContact CB-CZ 3.96Å; F179-F266 HydrophobicContact CD1-CB 3.79Å; F179-F266 HydrophobicContact CD1-CD1 4.46Å; F179-F266 HydrophobicContact CD1-CD2 4.14Å; F179-F266 AromaticContact CD1-CG 3.88Å; F179-F266 HydrophobicContact CD1-CG 3.88Å; F179-F266 HydrophobicContact CE1-CB 4.49Å; F179-F266 HydrophobicContact CG-CD2 4.29Å; F179-F266 HydrophobicContact CG-CG 4.27Å; T238-F266 CarbonylContact O-C 3.52Å; T238-F266 VanDerWaalsContact O-CA 3.26Å; T238-F266 WeakPolarHBondContact O-CA 3.44Å; T238-F266 WeakPolarHBondContact O-CB 3.4Å; V239-F266 HydrophobicContact CG2-CB 4.29Å; V264-F266 HydrophobicContact CG1-CD1 4.32Å; F266-R268 HydrophobicContact CD2-CG 3.67Å; F266-R268 HydrophobicContact CE2-CG 3.86Å; F266-Q365 PolarHBondContact O-OE1 3.28Å; F266-Q365 VanDerWaalsContact O-OE1 3.13Å; F266-V442 HydrophobicContact CE1-CG1 4Å; F266-Y443 HydrophobicContact CZ-CE1 4.49Å; F266-Y443 WeakPolarHBondContact CZ-OH 3.31Å; F266-L503 HydrophobicContact CE2-CD2 4.36Å; F266-L503 HydrophobicContact CZ-CD2 3.83Å
267	D	98.1	Very high	98	Very high	26 Å²	26	14.2 Å²	14.2	14%	0.139	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119	163.5	-179	-38.5	0	0	0	107.6	S237 T238 T269 L270 R358 P362	S237-D267 WeakPolarHBondContact CA-O 3.43Å; S237-D267 WeakPolarHBondContact CB-O 3.4Å; T238-D267 PolarHBondContact N-O 2.97Å; T238-D267 PolarHBondContact O-N 3.49Å; D267-T269 PolarHBondContact O-N 3.26Å; D267-T269 PolarHBondContact OD1-N 2.91Å; D267-T269 PolarHBondContact OD1-OG1 3.17Å; D267-L270 HydrophobicContact CB-CB 3.78Å; D267-L270 HydrophobicContact CB-CD2 4.31Å; D267-L270 WeakPolarHBondContact OD1-CB 3.39Å; D267-L270 PolarHBondContact OD1-N 2.77Å; D267-L270 WeakPolarHBondContact OD2-CB 3.46Å; D267-R358 IonicContact OD1-NH2 3.35Å; D267-R358 PolarHBondContact OD1-NH2 3Å; D267-R358 IonicContact OD2-CZ 2.64Å; D267-R358 VanDerWaalsContact OD2-CZ 3.25Å; D267-R358 IonicContact OD2-NE 3.79Å; D267-R358 PolarHBondContact OD2-NE 2.84Å; D267-R358 IonicContact OD2-NH2 2.68Å; D267-R358 PolarHBondContact OD2-NH2 3.17Å; D267-P362 HydrophobicContact CB-CG 4.15Å
268	R	96.7	Very high	98	Very high	6 Å²	6	16.3 Å²	16.3	2%	0.023	7%	0.074	C	C	.	.	S	Bend	trans	-78.1	2.2	-172.5	-60.6	-165.9	57.7	151.5	-2.8	114.2	H102 F179 E184 F266	H102-R268 PolarHBondContact CE1-O 2.83Å; F179-R268 HydrophobicContact CD1-CG 4.28Å; F179-R268 HydrophobicContact CD2-CG 3.97Å; F179-R268 VanDerWaalsContact CD2-NE 3.34Å; F179-R268 HydrophobicContact CE1-CG 4.46Å; F179-R268 HydrophobicContact CE2-CG 4.16Å; F179-R268 HydrophobicContact CG-CG 4.03Å; F179-R268 HydrophobicContact CZ-CG 4.4Å; F179-R268 PolarHBondContact O-NH1 3.32Å; E184-R268 IonicContact OE1-CZ 2.72Å; E184-R268 IonicContact OE1-NH1 3.99Å; E184-R268 PolarHBondContact OE1-NH1 3.08Å; E184-R268 IonicContact OE1-NH2 3.25Å; E184-R268 PolarHBondContact OE1-NH2 3.33Å; E184-R268 IonicContact OE2-CZ 3.45Å; E184-R268 IonicContact OE2-NH1 2.94Å; E184-R268 PolarHBondContact OE2-NH1 3.03Å; E184-R268 IonicContact OE2-NH2 2.79Å; F266-R268 HydrophobicContact CD2-CG 3.67Å; F266-R268 HydrophobicContact CE2-CG 3.86Å
269	T	96.3	Very high	98.1	Very high	33 Å²	33	15.3 Å²	15.3	20%	0.202	7%	0.069	C	C	.	.	S	Bend	trans	-139.5	-17.2	-176.1	61.9	0	0	0	0	115.4	L115 R119 D267 G271 R358	L115-T269 HydrophobicContact CD2-CG2 3.64Å; R119-T269 PolarHBondContact NH2-O 3.19Å; D267-T269 PolarHBondContact O-N 3.26Å; D267-T269 PolarHBondContact OD1-N 2.91Å; D267-T269 PolarHBondContact OD1-OG1 3.17Å; T269-G271 PolarHBondContact O-N 2.94Å; T269-R358 PolarHBondContact OG1-NH2 2.87Å
270	L	98	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.074	C	C	.	.			trans	-70.5	118.7	171.7	175.3	61.9	0	0	0	110.1	M233 S237 T238 D267 L355 R358	M233-L270 HydrophobicContact CE-CD1 3.67Å; M233-L270 HydrophobicContact CE-CG 3.81Å; S237-L270 CarbonylContact C-O 3.59Å; S237-L270 WeakPolarHBondContact CA-O 3.5Å; S237-L270 PolarHBondContact N-O 3.22Å; T238-L270 PolarHBondContact N-O 2.89Å; T238-L270 VanDerWaalsContact N-O 3.13Å; T238-L270 WeakPolarHBondContact OG1-CD2 3.47Å; T238-L270 WeakPolarHBondContact OG1-CG 3.25Å; T238-L270 PolarHBondContact OG1-O 2.89Å; D267-L270 HydrophobicContact CB-CB 3.78Å; D267-L270 HydrophobicContact CB-CD2 4.31Å; D267-L270 WeakPolarHBondContact OD1-CB 3.39Å; D267-L270 PolarHBondContact OD1-N 2.77Å; D267-L270 WeakPolarHBondContact OD2-CB 3.46Å; L270-L355 HydrophobicContact CD1-CB 3.73Å; L270-L355 HydrophobicContact CD1-CD2 4.07Å; L270-L355 HydrophobicContact CD1-CG 4.39Å; L270-L355 VanDerWaalsContact CD1-O 3.31Å; L270-L355 WeakPolarHBondContact CD1-O 3.2Å; L270-R358 HydrophobicContact CD1-CB 4.49Å; L270-R358 HydrophobicContact CD2-CB 3.91Å
271	G	97.2	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	178.4	174.5	-179	0	0	0	0	0	113.9	S235 T269 L273 E274	S235-G271 CarbonylContact O-C 3.5Å; S235-G271 VanDerWaalsContact O-C 3.23Å; S235-G271 WeakPolarHBondContact O-CA 3.45Å; T269-G271 PolarHBondContact O-N 2.94Å; G271-L273 VanDerWaalsContact C-N 3.26Å; G271-L273 PolarHBondContact O-N 3.49Å; G271-E274 PolarHBondContact O-N 2.99Å; G271-E274 VanDerWaalsContact O-N 3.07Å
272	G	98.1	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.4	-27.7	-177.6	0	0	0	0	0	116.1	G234 S235 E274 M275 E276	G234-G272 PolarHBondContact O-N 2.77Å; S235-G272 PolarHBondContact O-N 2.95Å; S235-G272 VanDerWaalsContact O-N 3.1Å; G272-E274 VanDerWaalsContact C-N 3.35Å; G272-M275 WeakPolarHBondContact O-CB 3.38Å; G272-E276 WeakPolarHBondContact O-CG 3.48Å; G272-E276 PolarHBondContact O-N 2.94Å; G272-E276 VanDerWaalsContact O-N 3.14Å
273	L	98.1	Very high	98.2	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-64.6	-39.6	174.5	172.5	61.1	0	0	0	111.6	Y99 F120 S235 G271 M275 E276 L277	Y99-L273 HydrophobicContact CD1-CD2 3.88Å; Y99-L273 HydrophobicContact CD2-CD1 4.14Å; Y99-L273 HydrophobicContact CD2-CD2 3.94Å; Y99-L273 HydrophobicContact CE1-CB 4.18Å; Y99-L273 HydrophobicContact CE1-CD2 4.1Å; Y99-L273 HydrophobicContact CE2-CD1 3.71Å; Y99-L273 HydrophobicContact CE2-CD2 4.16Å; Y99-L273 HydrophobicContact CE2-CG 4.39Å; Y99-L273 HydrophobicContact CG-CD2 3.8Å; F120-L273 HydrophobicContact CE2-CD2 4.39Å; F120-L273 HydrophobicContact CZ-CD1 4.14Å; F120-L273 HydrophobicContact CZ-CD2 4.11Å; S235-L273 WeakPolarHBondContact O-CB 3.36Å; S235-L273 PolarHBondContact O-N 3.24Å; S235-L273 PolarHBondContact OG-N 2.82Å; G271-L273 VanDerWaalsContact C-N 3.26Å; G271-L273 PolarHBondContact O-N 3.49Å; L273-M275 VanDerWaalsContact C-N 3.26Å; L273-M275 PolarHBondContact O-N 2.73Å; L273-E276 WeakPolarHBondContact O-CB 3.29Å; L273-E276 PolarHBondContact O-N 3.15Å; L273-E276 VanDerWaalsContact O-N 3.07Å; L273-L277 HydrophobicContact CD1-CD1 4.03Å; L273-L277 HydrophobicContact CD1-CD2 4.33Å; L273-L277 HydrophobicContact CD1-CG 3.93Å; L273-L277 HydrophobicContact CD2-CD1 4.49Å; L273-L277 HydrophobicContact CG-CD1 3.88Å; L273-L277 HydrophobicContact CG-CG 4.25Å; L273-L277 VanDerWaalsContact O-CG 3.29Å; L273-L277 WeakPolarHBondContact O-CG 3.47Å; L273-L277 PolarHBondContact O-N 3.29Å
274	E	97.9	Very high	98.2	Very high	36 Å²	36	17.7 Å²	17.7	17%	0.168	8%	0.08	C	C	.	.	H	α-helix	trans	-72.4	-26.9	-173.8	-156.7	39.7	-119.1	0	0	111	R119 G271 G272 R278 L355	R119-E274 IonicContact CZ-OE2 3.36Å; R119-E274 IonicContact NE-OE2 3.63Å; R119-E274 PolarHBondContact NE-OE2 3.24Å; R119-E274 IonicContact NH2-OE2 3.23Å; R119-E274 PolarHBondContact NH2-OE2 2.66Å; G271-E274 PolarHBondContact O-N 2.99Å; G271-E274 VanDerWaalsContact O-N 3.07Å; G272-E274 VanDerWaalsContact C-N 3.35Å; E274-R278 VanDerWaalsContact CG-NH1 3.35Å; E274-R278 PolarHBondContact O-N 2.92Å; E274-R278 PolarHBondContact O-NH1 3.5Å; E274-R278 IonicContact OE1-CZ 3.29Å; E274-R278 IonicContact OE1-NH1 2.72Å; E274-R278 PolarHBondContact OE1-NH1 2.91Å; E274-L355 HydrophobicContact CB-CD1 3.97Å; E274-L355 HydrophobicContact CB-CD2 4.49Å; E274-L355 HydrophobicContact CG-CD1 4.13Å; E274-L355 HydrophobicContact CG-CD2 3.95Å
275	M	98.6	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.4	-43.1	165.7	-64.3	171.6	179	0	0	112.5	M233 G272 L273 L277 R278 L279 K317 F348 L355 F356 V389 V392	M233-M275 HydrophobicContact CE-CE 3.49Å; M233-M275 VanDerWaalsContact CE-CE 3.49Å; G272-M275 WeakPolarHBondContact O-CB 3.38Å; L273-M275 VanDerWaalsContact C-N 3.26Å; L273-M275 PolarHBondContact O-N 2.73Å; M275-L277 VanDerWaalsContact C-N 3.34Å; M275-L277 PolarHBondContact O-N 3.43Å; M275-R278 PolarHBondContact O-N 2.9Å; M275-L279 PolarHBondContact O-N 3.34Å; M275-L279 VanDerWaalsContact O-N 3.11Å; M275-K317 HydrophobicContact CB-CD 4.45Å; M275-F348 HydrophobicContact CB-CE2 3.92Å; M275-F348 HydrophobicContact CB-CZ 4.08Å; M275-F348 HydrophobicContact CG-CE2 4.45Å; M275-F348 HydrophobicContact CG-CZ 4.32Å; M275-F348 HydrophobicContact SD-CZ 4.21Å; M275-L355 HydrophobicContact CG-CD1 3.79Å; M275-F356 HydrophobicContact CE-CD1 4.46Å; M275-F356 HydrophobicContact CE-CE1 3.7Å; M275-F356 HydrophobicContact CE-CZ 4.4Å; M275-V389 HydrophobicContact SD-CG2 4.07Å; M275-V392 HydrophobicContact CE-CG2 3.93Å
276	E	98.5	Very high	98.1	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-64.2	-36.3	177	-74.1	168.9	-147.2	0	0	113	G272 L273 L279 R280 L310 A313 N314 K317	G272-E276 WeakPolarHBondContact O-CG 3.48Å; G272-E276 PolarHBondContact O-N 2.94Å; G272-E276 VanDerWaalsContact O-N 3.14Å; L273-E276 WeakPolarHBondContact O-CB 3.29Å; L273-E276 PolarHBondContact O-N 3.15Å; L273-E276 VanDerWaalsContact O-N 3.07Å; E276-L279 PolarHBondContact O-N 3.05Å; E276-R280 VanDerWaalsContact O-CB 3.3Å; E276-R280 WeakPolarHBondContact O-CB 3.39Å; E276-R280 PolarHBondContact O-N 3.35Å; E276-L310 HydrophobicContact CB-CD1 4.16Å; E276-A313 WeakPolarHBondContact O-CB 3.37Å; E276-N314 VanDerWaalsContact CD-ND2 3.29Å; E276-N314 HydrophobicContact CG-CB 4.16Å; E276-N314 PolarHBondContact OE1-ND2 3.44Å; E276-N314 PolarHBondContact OE2-ND2 2.87Å; E276-K317 HydrophobicContact CG-CD 4.17Å; E276-K317 WeakPolarHBondContact OE1-CE 3.32Å; E276-K317 IonicContact OE1-NZ 2.71Å; E276-K317 PolarHBondContact OE1-NZ 3.45Å
277	L	98.6	Very high	98.1	Very high	14 Å²	14	18.9 Å²	18.9	7%	0.073	9%	0.09	C	C	.	.	H	α-helix	trans	-69	-39.5	179.8	-68.7	168.7	0	0	0	111.8	R119 L273 M275 R280 E281 L310	R119-L277 HydrophobicContact CB-CD1 4.08Å; R119-L277 HydrophobicContact CG-CD1 3.6Å; L273-L277 HydrophobicContact CD1-CD1 4.03Å; L273-L277 HydrophobicContact CD1-CD2 4.33Å; L273-L277 HydrophobicContact CD1-CG 3.93Å; L273-L277 HydrophobicContact CD2-CD1 4.49Å; L273-L277 HydrophobicContact CG-CD1 3.88Å; L273-L277 HydrophobicContact CG-CG 4.25Å; L273-L277 VanDerWaalsContact O-CG 3.29Å; L273-L277 WeakPolarHBondContact O-CG 3.47Å; L273-L277 PolarHBondContact O-N 3.29Å; M275-L277 VanDerWaalsContact C-N 3.34Å; M275-L277 PolarHBondContact O-N 3.43Å; L277-R280 VanDerWaalsContact CD2-CZ 3.41Å; L277-R280 PolarHBondContact O-N 3.06Å; L277-E281 WeakPolarHBondContact O-CB 3.36Å; L277-E281 PolarHBondContact O-N 3.23Å; L277-L310 HydrophobicContact CD2-CD1 4.46Å
278	R	98.6	Very high	98.1	Very high	47 Å²	47	19.3 Å²	19.3	18%	0.177	9%	0.092	C	C	.	.	H	α-helix	trans	-62.1	-45.6	170.7	-74.9	163.6	177.8	64.1	-0.4	112	E274 M275 E281 R282 L351 D354	E274-R278 VanDerWaalsContact CG-NH1 3.35Å; E274-R278 PolarHBondContact O-N 2.92Å; E274-R278 PolarHBondContact O-NH1 3.5Å; E274-R278 IonicContact OE1-CZ 3.29Å; E274-R278 IonicContact OE1-NH1 2.72Å; E274-R278 PolarHBondContact OE1-NH1 2.91Å; M275-R278 PolarHBondContact O-N 2.9Å; R278-E281 PolarHBondContact O-N 3.03Å; R278-R282 WeakPolarHBondContact O-CB 3.36Å; R278-R282 PolarHBondContact O-N 2.79Å; R278-L351 HydrophobicContact CB-CB 4.45Å; R278-L351 WeakPolarHBondContact CD-O 3.04Å; R278-L351 PolarHBondContact NE-O 3.45Å; R278-D354 IonicContact CZ-OD1 2.72Å; R278-D354 IonicContact CZ-OD2 3.44Å; R278-D354 IonicContact NE-OD1 3.3Å; R278-D354 PolarHBondContact NE-OD1 3.47Å; R278-D354 IonicContact NH2-OD1 2.74Å; R278-D354 PolarHBondContact NH2-OD1 3.16Å; R278-D354 IonicContact NH2-OD2 2.77Å; R278-D354 PolarHBondContact NH2-OD2 2.88Å
279	L	98.7	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-46.7	175	-79.7	173.5	0	0	0	111.6	M275 E276 E281 R282 L283 A313 L316 K317 V343 F348	M275-L279 PolarHBondContact O-N 3.34Å; M275-L279 VanDerWaalsContact O-N 3.11Å; E276-L279 PolarHBondContact O-N 3.05Å; L279-E281 VanDerWaalsContact C-N 3.28Å; L279-E281 PolarHBondContact O-N 3.36Å; L279-R282 PolarHBondContact O-N 3.42Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 2.92Å; L279-A313 HydrophobicContact CB-CB 3.68Å; L279-L316 HydrophobicContact CD1-CB 4.16Å; L279-K317 HydrophobicContact CD1-CB 4.08Å; L279-V343 HydrophobicContact CD2-CG1 4.21Å; L279-F348 HydrophobicContact CD1-CD2 3.61Å; L279-F348 HydrophobicContact CD1-CE2 3.65Å; L279-F348 HydrophobicContact CD1-CG 4.45Å; L279-F348 HydrophobicContact CD2-CB 4.29Å; L279-F348 HydrophobicContact CD2-CD2 3.72Å; L279-F348 HydrophobicContact CD2-CG 4.34Å; L279-F348 HydrophobicContact CG-CD2 3.62Å; L279-F348 HydrophobicContact CG-CE2 3.96Å
280	R	98.6	Very high	97.9	Very high	24 Å²	24	27 Å²	27	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-53.5	-46.3	175.1	-179.8	-172.9	77.2	177.3	1.4	111.1	R119 E276 L277 L283 A284 M306 L309 L310 A313	R119-R280 PolarHBondContact O-NH1 3.27Å; R119-R280 VanDerWaalsContact O-NH1 3.15Å; R119-R280 PolarHBondContact O-NH2 2.91Å; E276-R280 VanDerWaalsContact O-CB 3.3Å; E276-R280 WeakPolarHBondContact O-CB 3.39Å; E276-R280 PolarHBondContact O-N 3.35Å; L277-R280 VanDerWaalsContact CD2-CZ 3.41Å; L277-R280 PolarHBondContact O-N 3.06Å; R280-L283 PolarHBondContact O-N 2.87Å; R280-A284 WeakPolarHBondContact O-CB 3.42Å; R280-A284 PolarHBondContact O-N 2.83Å; R280-M306 HydrophobicContact CG-CE 4.04Å; R280-L309 HydrophobicContact CG-CB 3.97Å; R280-L310 HydrophobicContact CG-CB 4.41Å; R280-A313 HydrophobicContact CB-CB 4.23Å
281	E	98.6	Very high	97.6	Very high	83 Å²	83	28.2 Å²	28.2	39%	0.388	13%	0.13	S	C	.	.	H	α-helix	trans	-68.7	-40.3	-179	-174.8	54.7	-150.8	0	0	112.4	L277 R278 L279 A284 G285 R300	L277-E281 WeakPolarHBondContact O-CB 3.36Å; L277-E281 PolarHBondContact O-N 3.23Å; R278-E281 PolarHBondContact O-N 3.03Å; L279-E281 VanDerWaalsContact C-N 3.28Å; L279-E281 PolarHBondContact O-N 3.36Å; E281-A284 WeakPolarHBondContact O-CB 3.5Å; E281-A284 PolarHBondContact O-N 3.06Å; E281-G285 PolarHBondContact O-N 2.95Å; E281-R300 IonicContact OE1-CZ 3.22Å; E281-R300 IonicContact OE1-NE 3.88Å; E281-R300 PolarHBondContact OE1-NE 3.24Å; E281-R300 IonicContact OE1-NH2 3.89Å; E281-R300 PolarHBondContact OE1-NH2 3.21Å; E281-R300 IonicContact OE2-CZ 2.84Å; E281-R300 IonicContact OE2-NE 3.41Å; E281-R300 PolarHBondContact OE2-NE 2.91Å; E281-R300 IonicContact OE2-NH2 3.9Å
282	R	98.5	Very high	97.2	Very high	79 Å²	79	36.9 Å²	36.9	30%	0.298	17%	0.168	S	C	.	.	H	α-helix	trans	-62.3	-45.2	172.9	177.8	57.9	175.2	144.7	-0.4	112.1	R278 L279 A284 G285 L286 E289 E347 L351	R278-R282 WeakPolarHBondContact O-CB 3.36Å; R278-R282 PolarHBondContact O-N 2.79Å; L279-R282 PolarHBondContact O-N 3.42Å; R282-A284 VanDerWaalsContact C-N 3.31Å; R282-A284 PolarHBondContact O-N 3.49Å; R282-G285 PolarHBondContact O-N 2.86Å; R282-L286 HydrophobicContact CG-CD1 4.1Å; R282-L286 WeakPolarHBondContact O-CG 3.33Å; R282-L286 PolarHBondContact O-N 2.95Å; R282-E289 IonicContact NH1-OE1 2.73Å; R282-E347 IonicContact CZ-OE1 3.64Å; R282-E347 VanDerWaalsContact CZ-OE1 3.22Å; R282-E347 IonicContact NE-OE1 3.66Å; R282-E347 PolarHBondContact NE-OE1 3.06Å; R282-E347 IonicContact NH2-OE1 3.53Å; R282-E347 PolarHBondContact NH2-OE1 3.28Å; R282-L351 HydrophobicContact CB-CD1 3.84Å; R282-L351 HydrophobicContact CG-CD1 3.96Å
283	L	98.7	Very high	96.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-37.6	175.6	-63.4	-174	0	0	0	111.7	L279 R280 L286 F287 L309 E312 L316 A328 F339 V343	L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 2.92Å; R280-L283 PolarHBondContact O-N 2.87Å; L283-L286 HydrophobicContact CD2-CD1 4.43Å; L283-L286 PolarHBondContact O-N 3.44Å; L283-F287 PolarHBondContact O-N 3.32Å; L283-L309 HydrophobicContact CB-CD2 3.48Å; L283-L309 VanDerWaalsContact CB-CD2 3.48Å; L283-L309 HydrophobicContact CD1-CD2 4.14Å; L283-L309 HydrophobicContact CG-CD2 4.49Å; L283-E312 HydrophobicContact CD1-CB 4.3Å; L283-E312 HydrophobicContact CD1-CG 4.28Å; L283-L316 HydrophobicContact CD1-CD1 3.83Å; L283-L316 HydrophobicContact CD2-CD1 3.92Å; L283-L316 HydrophobicContact CG-CD1 4.24Å; L283-A328 HydrophobicContact CD2-CB 4.09Å; L283-F339 HydrophobicContact CB-CE1 4.04Å; L283-F339 HydrophobicContact CB-CZ 4.08Å; L283-F339 HydrophobicContact CD1-CE1 4.28Å; L283-F339 HydrophobicContact CD2-CE1 3.87Å; L283-F339 HydrophobicContact CD2-CZ 3.86Å; L283-F339 HydrophobicContact CG-CE1 4.27Å; L283-F339 HydrophobicContact CG-CZ 4.47Å; L283-V343 HydrophobicContact CD2-CG2 3.79Å
284	A	98.4	Very high	95.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-40.5	174.6	0	0	0	0	0	112.4	R280 E281 R282 N288 V299 R300 M306 L309	R280-A284 WeakPolarHBondContact O-CB 3.42Å; R280-A284 PolarHBondContact O-N 2.83Å; E281-A284 WeakPolarHBondContact O-CB 3.5Å; E281-A284 PolarHBondContact O-N 3.06Å; R282-A284 VanDerWaalsContact C-N 3.31Å; R282-A284 PolarHBondContact O-N 3.49Å; A284-N288 VanDerWaalsContact O-CG 3.31Å; A284-N288 PolarHBondContact O-N 3.48Å; A284-V299 HydrophobicContact CB-CG1 3.62Å; A284-R300 HydrophobicContact CB-CG 4.46Å; A284-M306 HydrophobicContact CB-CE 4.47Å; A284-M306 HydrophobicContact CB-SD 4.21Å; A284-L309 HydrophobicContact CB-CD1 4.13Å
285	G	98.3	Very high	95.1	Very high	15 Å²	15	56.4 Å²	56.4	16%	0.155	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-53.4	170.4	0	0	0	0	0	112.3	E281 R282 F287 N288 E289	E281-G285 PolarHBondContact O-N 2.95Å; R282-G285 PolarHBondContact O-N 2.86Å; G285-F287 VanDerWaalsContact C-N 3.34Å; G285-F287 PolarHBondContact O-N 3.39Å; G285-N288 PolarHBondContact O-N 2.81Å; G285-N288 VanDerWaalsContact O-N 3.14Å; G285-E289 WeakPolarHBondContact O-CG 3.4Å; G285-E289 PolarHBondContact O-N 2.88Å
286	L	98	Very high	94.6	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.12	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-40.7	-179.2	-75.1	164.5	0	0	0	113.4	R282 L283 E289 Q290 F339 A341	R282-L286 HydrophobicContact CG-CD1 4.1Å; R282-L286 WeakPolarHBondContact O-CG 3.33Å; R282-L286 PolarHBondContact O-N 2.95Å; L283-L286 HydrophobicContact CD2-CD1 4.43Å; L283-L286 PolarHBondContact O-N 3.44Å; L286-E289 PolarHBondContact O-N 3.46Å; L286-Q290 VanDerWaalsContact O-CG 3.28Å; L286-Q290 WeakPolarHBondContact O-CG 3.27Å; L286-Q290 PolarHBondContact O-N 3.34Å; L286-F339 HydrophobicContact CB-CE2 3.95Å; L286-F339 HydrophobicContact CB-CZ 4.14Å; L286-A341 HydrophobicContact CD1-CB 4.04Å
287	F	97.9	Very high	94.4	Very high	1 Å²	1	64.5 Å²	64.5	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-69.2	-38.6	176.9	178.7	-108.5	0	0	0	112.7	L283 G285 E289 Q290 R291 V299 L333 M334 V337 F339	L283-F287 PolarHBondContact O-N 3.32Å; G285-F287 VanDerWaalsContact C-N 3.34Å; G285-F287 PolarHBondContact O-N 3.39Å; F287-E289 VanDerWaalsContact C-N 3.35Å; F287-Q290 PolarHBondContact O-N 2.59Å; F287-R291 VanDerWaalsContact CZ-CD 3.47Å; F287-R291 PolarHBondContact O-N 3.41Å; F287-V299 HydrophobicContact CD1-CB 3.78Å; F287-V299 HydrophobicContact CD1-CG1 4.23Å; F287-V299 HydrophobicContact CD1-CG2 3.88Å; F287-V299 HydrophobicContact CE1-CB 4.11Å; F287-V299 HydrophobicContact CE1-CG2 4Å; F287-L333 HydrophobicContact CB-CD2 4.04Å; F287-L333 HydrophobicContact CD1-CD2 3.89Å; F287-L333 HydrophobicContact CD2-CD2 3.73Å; F287-L333 HydrophobicContact CE1-CD2 4.17Å; F287-L333 HydrophobicContact CE1-CG 4.33Å; F287-L333 HydrophobicContact CE2-CB 4.16Å; F287-L333 HydrophobicContact CE2-CD2 4.02Å; F287-L333 HydrophobicContact CE2-CG 4.36Å; F287-L333 HydrophobicContact CG-CD2 3.62Å; F287-L333 HydrophobicContact CZ-CB 4.23Å; F287-L333 HydrophobicContact CZ-CD2 4.21Å; F287-L333 HydrophobicContact CZ-CG 4.23Å; F287-M334 HydrophobicContact CE1-CB 3.91Å; F287-M334 HydrophobicContact CE1-CE 4.42Å; F287-M334 HydrophobicContact CZ-CB 4.01Å; F287-V337 HydrophobicContact CE2-CB 4.11Å; F287-V337 HydrophobicContact CE2-CG1 3.94Å; F287-V337 HydrophobicContact CZ-CB 4.17Å; F287-V337 HydrophobicContact CZ-CG1 4.42Å; F287-F339 HydrophobicContact CB-CD2 3.68Å; F287-F339 HydrophobicContact CB-CE2 3.95Å; F287-F339 HydrophobicContact CB-CG 4.36Å; F287-F339 HydrophobicContact CD2-CB 3.79Å; F287-F339 AromaticContact CD2-CD2 3.81Å; F287-F339 HydrophobicContact CD2-CD2 3.81Å; F287-F339 HydrophobicContact CD2-CG 4.14Å; F287-F339 HydrophobicContact CE2-CB 4.23Å; F287-F339 HydrophobicContact CG-CD2 4.2Å
288	N	97.1	Very high	94.2	Very high	35 Å²	35	66.6 Å²	66.6	19%	0.187	32%	0.324	C	S	.	.	H	α-helix	trans	-68.4	-35.4	175.1	-68.3	-2.3	0	0	0	111.8	A284 G285 R291 K292 D298 V299 R300	A284-N288 VanDerWaalsContact O-CG 3.31Å; A284-N288 PolarHBondContact O-N 3.48Å; G285-N288 PolarHBondContact O-N 2.81Å; G285-N288 VanDerWaalsContact O-N 3.14Å; N288-R291 CarbonylContact O-C 3.55Å; N288-R291 PolarHBondContact O-N 3.43Å; N288-K292 PolarHBondContact O-N 3.22Å; N288-D298 PolarHBondContact ND2-OD1 3.04Å; N288-D298 PolarHBondContact ND2-OD2 3.29Å; N288-V299 WeakPolarHBondContact OD1-CG1 3.21Å; N288-V299 PolarHBondContact OD1-N 3.34Å; N288-R300 PolarHBondContact ND2-NH1 2.93Å
289	E	95.6	Very high	94.2	Very high	110 Å²	110	64.3 Å²	64.3	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-44.9	171.6	-73.8	164.9	-160.9	0	0	111.3	R282 G285 L286 F287 R291 K292	R282-E289 IonicContact NH1-OE1 2.73Å; G285-E289 WeakPolarHBondContact O-CG 3.4Å; G285-E289 PolarHBondContact O-N 2.88Å; L286-E289 PolarHBondContact O-N 3.46Å; F287-E289 VanDerWaalsContact C-N 3.35Å; E289-R291 PolarHBondContact O-N 3.37Å; E289-K292 WeakPolarHBondContact O-CB 3.25Å; E289-K292 PolarHBondContact O-N 2.9Å; E289-K292 VanDerWaalsContact O-N 3.16Å
290	Q	93.4	Very high	94.1	Very high	90 Å²	90	68.4 Å²	68.4	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-26.2	175.3	-73.3	172.1	6.2	0	0	113.5	L286 F287 K340	L286-Q290 VanDerWaalsContact O-CG 3.28Å; L286-Q290 WeakPolarHBondContact O-CG 3.27Å; L286-Q290 PolarHBondContact O-N 3.34Å; F287-Q290 PolarHBondContact O-N 2.59Å; Q290-K340 PolarHBondContact NE2-O 2.82Å
291	R	92.1	Very high	93.9	Very high	26 Å²	26	72.5 Å²	72.5	10%	0.098	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	8.7	178.8	-60.4	-175.7	69.8	-163.5	1.7	113.8	F287 N288 E289 G293 Q294 A296 D335	F287-R291 VanDerWaalsContact CZ-CD 3.47Å; F287-R291 PolarHBondContact O-N 3.41Å; N288-R291 CarbonylContact O-C 3.55Å; N288-R291 PolarHBondContact O-N 3.43Å; E289-R291 PolarHBondContact O-N 3.37Å; R291-G293 PolarHBondContact O-N 2.86Å; R291-Q294 VanDerWaalsContact O-CB 3.3Å; R291-Q294 WeakPolarHBondContact O-CB 3.43Å; R291-Q294 WeakPolarHBondContact O-CG 3.16Å; R291-Q294 PolarHBondContact O-N 3.49Å; R291-A296 HydrophobicContact CB-CB 4.1Å; R291-D335 IonicContact CZ-OD2 3.14Å; R291-D335 VanDerWaalsContact CZ-OD2 3.23Å; R291-D335 IonicContact NH1-OD2 2.79Å; R291-D335 PolarHBondContact NH1-OD2 2.77Å; R291-D335 IonicContact NH2-OD2 2.68Å; R291-D335 PolarHBondContact NH2-OD2 2.85Å
292	K	88.8	Confident	93.9	Very high	183 Å²	183	70.9 Å²	70.9	80%	0.796	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	127.2	-178.8	-168.9	172.5	-175.5	174.3	0	110.8	N288 E289	N288-K292 PolarHBondContact O-N 3.22Å; E289-K292 WeakPolarHBondContact O-CB 3.25Å; E289-K292 PolarHBondContact O-N 2.9Å; E289-K292 VanDerWaalsContact O-N 3.16Å
293	G	84.1	Confident	93.8	Very high	81 Å²	81	69.1 Å²	69.1	84%	0.835	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-14.9	-176	0	0	0	0	0	115.4	R291 R295	R291-G293 PolarHBondContact O-N 2.86Å; G293-R295 PolarHBondContact O-N 3.49Å; G293-R295 VanDerWaalsContact O-N 3.16Å
294	Q	83.6	Confident	93.7	Very high	118 Å²	118	75.9 Å²	75.9	55%	0.551	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	8.1	-177.8	-58.1	176.2	3.8	0	0	114.4	R291 A296	R291-Q294 VanDerWaalsContact O-CB 3.3Å; R291-Q294 WeakPolarHBondContact O-CB 3.43Å; R291-Q294 WeakPolarHBondContact O-CG 3.16Å; R291-Q294 PolarHBondContact O-N 3.49Å; Q294-A296 PolarHBondContact O-N 2.85Å; Q294-A296 VanDerWaalsContact O-N 3.12Å
295	R	82.9	Confident	93.6	Very high	251 Å²	251	75.9 Å²	75.9	95%	0.947	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	27.8	-169.9	-153.3	179.9	-175.3	170.6	2.4	113.8	G293	G293-R295 PolarHBondContact O-N 3.49Å; G293-R295 VanDerWaalsContact O-N 3.16Å
296	A	87.4	Confident	93.6	Very high	39 Å²	39	76.1 Å²	76.1	32%	0.322	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-69.5	157.5	175.6	0	0	0	0	0	112	R291 Q294	R291-A296 HydrophobicContact CB-CB 4.1Å; Q294-A296 PolarHBondContact O-N 2.85Å; Q294-A296 VanDerWaalsContact O-N 3.12Å
297	K	93.8	Very high	93.6	Very high	135 Å²	135	75.2 Å²	75.2	59%	0.587	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-75.6	160.9	168.8	-73.7	175.7	156.6	-106.4	0	111.3	E301 M334	K297-E301 IonicContact NZ-OE2 3.21Å; K297-E301 PolarHBondContact NZ-OE2 3.3Å; K297-M334 HydrophobicContact CB-CE 4.16Å; K297-M334 WeakPolarHBondContact O-CE 3.26Å
298	D	96.1	Very high	93.6	Very high	57 Å²	57	77.5 Å²	77.5	31%	0.305	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-70.5	131.7	169.2	-165.7	-47.3	0	0	0	109.6	N288 R300 E301	N288-D298 PolarHBondContact ND2-OD1 3.04Å; N288-D298 PolarHBondContact ND2-OD2 3.29Å; D298-R300 PolarHBondContact O-N 3.1Å; D298-R300 VanDerWaalsContact O-N 3.12Å; D298-R300 VanDerWaalsContact OD1-CB 3.26Å; D298-R300 WeakPolarHBondContact OD1-CB 3.46Å; D298-R300 VanDerWaalsContact OD1-CG 3.23Å; D298-R300 WeakPolarHBondContact OD1-CG 3.45Å; D298-R300 IonicContact OD1-CZ 2.94Å; D298-R300 PolarHBondContact OD1-N 3.4Å; D298-R300 IonicContact OD1-NH1 3.82Å; D298-R300 PolarHBondContact OD1-NH1 3.26Å; D298-R300 IonicContact OD2-NH1 2.67Å; D298-R300 PolarHBondContact OD2-NH1 3.49Å; D298-R300 VanDerWaalsContact OD2-NH1 3.09Å; D298-E301 HydrophobicContact CB-CG 4.43Å; D298-E301 PolarHBondContact N-OE1 3.07Å; D298-E301 VanDerWaalsContact O-CB 3.31Å; D298-E301 WeakPolarHBondContact O-CB 3.26Å; D298-E301 PolarHBondContact O-N 3.1Å
299	V	97.3	Very high	93.7	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-58.5	-23.3	176.7	72.6	0	0	0	0	113.8	A284 F287 N288 E301 N302 A305 M306 L309 L333 M334	A284-V299 HydrophobicContact CB-CG1 3.62Å; F287-V299 HydrophobicContact CD1-CB 3.78Å; F287-V299 HydrophobicContact CD1-CG1 4.23Å; F287-V299 HydrophobicContact CD1-CG2 3.88Å; F287-V299 HydrophobicContact CE1-CB 4.11Å; F287-V299 HydrophobicContact CE1-CG2 4Å; N288-V299 WeakPolarHBondContact OD1-CG1 3.21Å; N288-V299 PolarHBondContact OD1-N 3.34Å; V299-E301 PolarHBondContact O-N 2.96Å; V299-N302 PolarHBondContact O-N 3.32Å; V299-A305 HydrophobicContact CG2-CB 3.4Å; V299-A305 VanDerWaalsContact CG2-CB 3.4Å; V299-M306 HydrophobicContact CG1-SD 4.41Å; V299-L309 HydrophobicContact CG1-CD1 4.12Å; V299-L309 HydrophobicContact CG2-CD1 3.91Å; V299-L333 HydrophobicContact CG2-CD2 4.38Å; V299-L333 HydrophobicContact CG2-CG 4.31Å; V299-M334 HydrophobicContact CB-CE 4.3Å; V299-M334 HydrophobicContact CG2-CB 4.47Å; V299-M334 HydrophobicContact CG2-SD 4.38Å
300	R	96.8	Very high	93.8	Very high	85 Å²	85	71 Å²	71	32%	0.321	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-63.8	-25.1	173	-63.7	167.9	-170.3	75.2	0.7	113.1	E281 A284 N288 D298 N302 M306	E281-R300 IonicContact OE1-CZ 3.22Å; E281-R300 IonicContact OE1-NE 3.88Å; E281-R300 PolarHBondContact OE1-NE 3.24Å; E281-R300 IonicContact OE1-NH2 3.89Å; E281-R300 PolarHBondContact OE1-NH2 3.21Å; E281-R300 IonicContact OE2-CZ 2.84Å; E281-R300 IonicContact OE2-NE 3.41Å; E281-R300 PolarHBondContact OE2-NE 2.91Å; E281-R300 IonicContact OE2-NH2 3.9Å; A284-R300 HydrophobicContact CB-CG 4.46Å; N288-R300 PolarHBondContact ND2-NH1 2.93Å; D298-R300 PolarHBondContact O-N 3.1Å; D298-R300 VanDerWaalsContact O-N 3.12Å; D298-R300 VanDerWaalsContact OD1-CB 3.26Å; D298-R300 WeakPolarHBondContact OD1-CB 3.46Å; D298-R300 VanDerWaalsContact OD1-CG 3.23Å; D298-R300 WeakPolarHBondContact OD1-CG 3.45Å; D298-R300 IonicContact OD1-CZ 2.94Å; D298-R300 PolarHBondContact OD1-N 3.4Å; D298-R300 IonicContact OD1-NH1 3.82Å; D298-R300 PolarHBondContact OD1-NH1 3.26Å; D298-R300 IonicContact OD2-NH1 2.67Å; D298-R300 PolarHBondContact OD2-NH1 3.49Å; D298-R300 VanDerWaalsContact OD2-NH1 3.09Å; R300-N302 PolarHBondContact O-N 3.39Å; R300-M306 HydrophobicContact CB-SD 4.49Å; R300-M306 HydrophobicContact CG-CE 4.07Å; R300-M306 HydrophobicContact CG-SD 4.1Å
301	E	95.5	Very high	94	Very high	111 Å²	111	74.1 Å²	74.1	52%	0.519	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-68.1	-11	172.3	-65.4	175.2	-131.5	0	0	112.9	K297 D298 V299 P303	K297-E301 IonicContact NZ-OE2 3.21Å; K297-E301 PolarHBondContact NZ-OE2 3.3Å; D298-E301 HydrophobicContact CB-CG 4.43Å; D298-E301 PolarHBondContact N-OE1 3.07Å; D298-E301 VanDerWaalsContact O-CB 3.31Å; D298-E301 WeakPolarHBondContact O-CB 3.26Å; D298-E301 PolarHBondContact O-N 3.1Å; V299-E301 PolarHBondContact O-N 2.96Å; E301-P303 WeakPolarHBondContact O-CD 3.33Å
302	N	96.9	Very high	94.3	Very high	48 Å²	48	73.3 Å²	73.3	26%	0.257	35%	0.347	S	S	.	.			trans	-117.4	97.2	-172.6	-173.8	-21.1	0	0	0	112.1	V299 R300 R304 A305 M306 M334	V299-N302 PolarHBondContact O-N 3.32Å; R300-N302 PolarHBondContact O-N 3.39Å; N302-R304 PolarHBondContact O-N 3.15Å; N302-R304 VanDerWaalsContact O-N 3.08Å; N302-R304 WeakPolarHBondContact OD1-CB 3.24Å; N302-R304 PolarHBondContact OD1-N 2.97Å; N302-A305 HydrophobicContact CB-CB 3.92Å; N302-A305 WeakPolarHBondContact O-CB 3.34Å; N302-A305 PolarHBondContact O-N 3.26Å; N302-A305 PolarHBondContact OD1-N 2.68Å; N302-M306 PolarHBondContact O-N 2.79Å; N302-M334 HydrophobicContact CB-SD 3.54Å; N302-M334 VanDerWaalsContact CB-SD 3.54Å; N302-M334 WeakPolarHBondContact ND2-CG 3.33Å; N302-M334 PolarHBondContact ND2-SD 3.26Å; N302-M334 VanDerWaalsContact ND2-SD 3.43Å
303	P	96.6	Very high	94.7	Very high	42 Å²	42	64.6 Å²	64.6	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-54.9	-27.8	177.9	-31	37.3	0	0	0	115.3	P93 E122 E301 A307	P93-P303 HydrophobicContact CB-CB 4.13Å; P93-P303 HydrophobicContact CG-CB 3.63Å; E122-P303 HydrophobicContact CB-CB 4.03Å; E122-P303 HydrophobicContact CB-CG 4.33Å; E301-P303 WeakPolarHBondContact O-CD 3.33Å; P303-A307 VanDerWaalsContact O-CB 3.26Å; P303-A307 WeakPolarHBondContact O-CB 3.43Å; P303-A307 PolarHBondContact O-N 3.13Å
304	R	96.9	Very high	95.4	Very high	143 Å²	143	63 Å²	63	54%	0.54	28%	0.281	S	S	.	.	H	α-helix	trans	-73.2	-39.1	176.4	-63.7	-168.8	161.8	157.6	-3.6	111.5	I90 K91 P93 N302 A307 K308	I90-R304 VanDerWaalsContact O-CG 3.28Å; I90-R304 WeakPolarHBondContact O-CG 3.3Å; K91-R304 PolarHBondContact O-NE 3.5Å; K91-R304 PolarHBondContact O-NH2 2.94Å; P93-R304 HydrophobicContact CG-CG 4.24Å; N302-R304 PolarHBondContact O-N 3.15Å; N302-R304 VanDerWaalsContact O-N 3.08Å; N302-R304 WeakPolarHBondContact OD1-CB 3.24Å; N302-R304 PolarHBondContact OD1-N 2.97Å; R304-A307 PolarHBondContact O-N 2.93Å; R304-K308 PolarHBondContact O-N 3.21Å
305	A	97.7	Very high	96	Very high	1 Å²	1	63 Å²	63	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-43.8	175	0	0	0	0	0	111	V299 N302 A307 K308 L309 L333 M334	V299-A305 HydrophobicContact CG2-CB 3.4Å; V299-A305 VanDerWaalsContact CG2-CB 3.4Å; N302-A305 HydrophobicContact CB-CB 3.92Å; N302-A305 WeakPolarHBondContact O-CB 3.34Å; N302-A305 PolarHBondContact O-N 3.26Å; N302-A305 PolarHBondContact OD1-N 2.68Å; A305-A307 VanDerWaalsContact C-N 3.29Å; A305-A307 PolarHBondContact O-N 3.44Å; A305-K308 WeakPolarHBondContact O-CB 3.44Å; A305-K308 PolarHBondContact O-N 3.35Å; A305-K308 VanDerWaalsContact O-N 3.08Å; A305-L309 WeakPolarHBondContact O-CG 3.36Å; A305-L309 PolarHBondContact O-N 3.42Å; A305-L333 HydrophobicContact CB-CD1 3.83Å; A305-L333 HydrophobicContact CB-CG 4.39Å; A305-L333 WeakPolarHBondContact CB-O 3.16Å; A305-M334 HydrophobicContact CB-CB 4.29Å
306	M	98.2	Very high	96.8	Very high	19 Å²	19	51.1 Å²	51.1	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-34.2	174	-65.4	-58.2	-76.6	0	0	112.8	R280 A284 V299 R300 N302 L309 L310	R280-M306 HydrophobicContact CG-CE 4.04Å; A284-M306 HydrophobicContact CB-CE 4.47Å; A284-M306 HydrophobicContact CB-SD 4.21Å; V299-M306 HydrophobicContact CG1-SD 4.41Å; R300-M306 HydrophobicContact CB-SD 4.49Å; R300-M306 HydrophobicContact CG-CE 4.07Å; R300-M306 HydrophobicContact CG-SD 4.1Å; N302-M306 PolarHBondContact O-N 2.79Å; M306-L309 PolarHBondContact O-N 2.83Å; M306-L309 HydrophobicContact SD-CD1 3.78Å; M306-L310 WeakPolarHBondContact O-CB 3.31Å; M306-L310 PolarHBondContact O-N 3.38Å
307	A	97.4	Very high	97.3	Very high	5 Å²	5	50 Å²	50	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-69	-35.3	171.7	0	0	0	0	0	113.3	I90 P93 P303 R304 A305 R311	I90-A307 HydrophobicContact CG1-CB 4.23Å; P93-A307 HydrophobicContact CB-CB 4.37Å; P303-A307 VanDerWaalsContact O-CB 3.26Å; P303-A307 WeakPolarHBondContact O-CB 3.43Å; P303-A307 PolarHBondContact O-N 3.13Å; R304-A307 PolarHBondContact O-N 2.93Å; A305-A307 VanDerWaalsContact C-N 3.29Å; A305-A307 PolarHBondContact O-N 3.44Å; A307-R311 PolarHBondContact O-N 3.1Å
308	K	98.1	Very high	97.4	Very high	49 Å²	49	47.7 Å²	47.7	21%	0.213	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-46.6	169.6	-73.7	-178.1	170.5	-168	0	110.9	I90 R304 A305 R311 E312 I330 E331 G332 L333	I90-K308 HydrophobicContact CD1-CG 4.23Å; I90-K308 HydrophobicContact CG1-CG 4.43Å; I90-K308 HydrophobicContact CG2-CG 3.73Å; R304-K308 PolarHBondContact O-N 3.21Å; A305-K308 WeakPolarHBondContact O-CB 3.44Å; A305-K308 PolarHBondContact O-N 3.35Å; A305-K308 VanDerWaalsContact O-N 3.08Å; K308-R311 PolarHBondContact O-N 2.93Å; K308-E312 PolarHBondContact O-N 3.39Å; K308-I330 HydrophobicContact CB-CD1 4.46Å; K308-I330 HydrophobicContact CB-CG2 3.91Å; K308-I330 HydrophobicContact CD-CG2 3.72Å; K308-I330 HydrophobicContact CG-CG2 4.28Å; K308-E331 PolarHBondContact NZ-O 2.96Å; K308-G332 PolarHBondContact NZ-O 3.09Å; K308-L333 HydrophobicContact CB-CD1 3.9Å; K308-L333 HydrophobicContact CD-CD1 4.14Å
309	L	98.6	Very high	97.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-42.1	-179.4	-72	160.1	0	0	0	112.5	R280 L283 A284 V299 A305 M306 R311 E312 A313 I330 L333 F339	R280-L309 HydrophobicContact CG-CB 3.97Å; L283-L309 HydrophobicContact CB-CD2 3.48Å; L283-L309 VanDerWaalsContact CB-CD2 3.48Å; L283-L309 HydrophobicContact CD1-CD2 4.14Å; L283-L309 HydrophobicContact CG-CD2 4.49Å; A284-L309 HydrophobicContact CB-CD1 4.13Å; V299-L309 HydrophobicContact CG1-CD1 4.12Å; V299-L309 HydrophobicContact CG2-CD1 3.91Å; A305-L309 WeakPolarHBondContact O-CG 3.36Å; A305-L309 PolarHBondContact O-N 3.42Å; M306-L309 PolarHBondContact O-N 2.83Å; M306-L309 HydrophobicContact SD-CD1 3.78Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 2.86Å; L309-E312 PolarHBondContact O-N 3.07Å; L309-A313 WeakPolarHBondContact O-CB 3.48Å; L309-A313 PolarHBondContact O-N 3.47Å; L309-I330 HydrophobicContact CD2-CD1 3.8Å; L309-I330 HydrophobicContact CG-CD1 4.21Å; L309-L333 HydrophobicContact CD1-CD1 4.17Å; L309-L333 HydrophobicContact CD1-CD2 4.29Å; L309-L333 HydrophobicContact CD2-CD1 4.32Å; L309-L333 HydrophobicContact CD2-CD2 3.88Å; L309-L333 HydrophobicContact CG-CD1 3.82Å; L309-L333 HydrophobicContact CG-CD2 4.17Å; L309-F339 HydrophobicContact CD2-CE1 4.45Å
310	L	98	Very high	97.6	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-40.2	175.8	-177.5	60.1	0	0	0	112.1	F120 E276 L277 R280 M306 A313 N314	F120-L310 HydrophobicContact CE1-CD2 4.31Å; E276-L310 HydrophobicContact CB-CD1 4.16Å; L277-L310 HydrophobicContact CD2-CD1 4.46Å; R280-L310 HydrophobicContact CG-CB 4.41Å; M306-L310 WeakPolarHBondContact O-CB 3.31Å; M306-L310 PolarHBondContact O-N 3.38Å; L310-A313 PolarHBondContact O-N 3.47Å; L310-N314 PolarHBondContact O-N 2.83Å; L310-N314 VanDerWaalsContact O-N 3.08Å
311	R	97.3	Very high	97.6	Very high	156 Å²	156	43.8 Å²	43.8	59%	0.589	21%	0.205	S	C	*	.	H	α-helix	trans	-64.6	-41.3	177.4	-171	-176.2	68.1	169.9	3.8	111.9	A307 K308 L309 R315	A307-R311 PolarHBondContact O-N 3.1Å; K308-R311 PolarHBondContact O-N 2.93Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 2.86Å; R311-R315 PolarHBondContact O-N 3.47Å
312	E	98.3	Very high	97.7	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-72.7	-31.4	176.6	-169	69.4	170	0	0	111.7	L283 K308 L309 R315 L316 A328 Q329 I330	L283-E312 HydrophobicContact CD1-CB 4.3Å; L283-E312 HydrophobicContact CD1-CG 4.28Å; K308-E312 PolarHBondContact O-N 3.39Å; L309-E312 PolarHBondContact O-N 3.07Å; E312-R315 WeakPolarHBondContact O-CB 3.34Å; E312-R315 PolarHBondContact O-N 3.43Å; E312-R315 IonicContact OE1-NH1 3.38Å; E312-R315 PolarHBondContact OE1-NH1 2.99Å; E312-R315 WeakPolarHBondContact OE2-CD 3.45Å; E312-R315 IonicContact OE2-NH1 2.71Å; E312-R315 PolarHBondContact OE2-NH1 3.38Å; E312-R315 VanDerWaalsContact OE2-NH1 3.15Å; E312-L316 WeakPolarHBondContact O-CB 3.16Å; E312-L316 WeakPolarHBondContact O-CG 3.27Å; E312-L316 PolarHBondContact O-N 3.24Å; E312-A328 HydrophobicContact CG-CB 4.24Å; E312-A328 WeakPolarHBondContact OE1-CA 3.38Å; E312-Q329 PolarHBondContact OE1-N 2.78Å; E312-I330 HydrophobicContact CB-CD1 3.79Å; E312-I330 HydrophobicContact CB-CG1 4Å; E312-I330 HydrophobicContact CG-CD1 4.23Å; E312-I330 HydrophobicContact CG-CG1 4.05Å
313	A	98.5	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-44.8	173.1	0	0	0	0	0	113.1	E276 L279 R280 L309 L310 R315 L316 K317	E276-A313 WeakPolarHBondContact O-CB 3.37Å; L279-A313 HydrophobicContact CB-CB 3.68Å; R280-A313 HydrophobicContact CB-CB 4.23Å; L309-A313 WeakPolarHBondContact O-CB 3.48Å; L309-A313 PolarHBondContact O-N 3.47Å; L310-A313 PolarHBondContact O-N 3.47Å; A313-R315 VanDerWaalsContact C-N 3.31Å; A313-R315 PolarHBondContact O-N 3.22Å; A313-L316 PolarHBondContact O-N 3.23Å; A313-K317 PolarHBondContact O-N 3.31Å
314	N	97	Very high	97.8	Very high	47 Å²	47	45.2 Å²	45.2	25%	0.251	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-39.6	173.3	178.4	-87.9	0	0	0	112	E43 E276 L310 T318	E43-N314 PolarHBondContact OE1-ND2 3.32Å; E276-N314 VanDerWaalsContact CD-ND2 3.29Å; E276-N314 HydrophobicContact CG-CB 4.16Å; E276-N314 PolarHBondContact OE1-ND2 3.44Å; E276-N314 PolarHBondContact OE2-ND2 2.87Å; L310-N314 PolarHBondContact O-N 2.83Å; L310-N314 VanDerWaalsContact O-N 3.08Å; N314-T318 PolarHBondContact O-N 3.25Å; N314-T318 PolarHBondContact O-OG1 2.81Å
315	R	97.5	Very high	97.8	Very high	119 Å²	119	41.5 Å²	41.5	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-47.9	172.1	-175.1	-167.2	-178.6	-175.8	-1.5	111.9	R311 E312 A313 T318 V319	R311-R315 PolarHBondContact O-N 3.47Å; E312-R315 WeakPolarHBondContact O-CB 3.34Å; E312-R315 PolarHBondContact O-N 3.43Å; E312-R315 IonicContact OE1-NH1 3.38Å; E312-R315 PolarHBondContact OE1-NH1 2.99Å; E312-R315 WeakPolarHBondContact OE2-CD 3.45Å; E312-R315 IonicContact OE2-NH1 2.71Å; E312-R315 PolarHBondContact OE2-NH1 3.38Å; E312-R315 VanDerWaalsContact OE2-NH1 3.15Å; A313-R315 VanDerWaalsContact C-N 3.31Å; A313-R315 PolarHBondContact O-N 3.22Å; R315-T318 WeakPolarHBondContact O-CB 3.32Å; R315-T318 PolarHBondContact O-N 3.01Å; R315-V319 HydrophobicContact CG-CG2 4.21Å; R315-V319 WeakPolarHBondContact O-CG2 3.5Å; R315-V319 PolarHBondContact O-N 2.84Å
316	L	98.1	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-48.6	179.7	-76.2	171.6	0	0	0	111.8	L279 L283 E312 A313 T318 V319 L320 H326 A328 V343	L279-L316 HydrophobicContact CD1-CB 4.16Å; L283-L316 HydrophobicContact CD1-CD1 3.83Å; L283-L316 HydrophobicContact CD2-CD1 3.92Å; L283-L316 HydrophobicContact CG-CD1 4.24Å; E312-L316 WeakPolarHBondContact O-CB 3.16Å; E312-L316 WeakPolarHBondContact O-CG 3.27Å; E312-L316 PolarHBondContact O-N 3.24Å; A313-L316 PolarHBondContact O-N 3.23Å; L316-T318 PolarHBondContact O-N 2.77Å; L316-V319 PolarHBondContact O-N 3.36Å; L316-V319 VanDerWaalsContact O-N 3.14Å; L316-L320 HydrophobicContact CB-CD1 4.38Å; L316-L320 VanDerWaalsContact O-CB 3.27Å; L316-L320 WeakPolarHBondContact O-CB 3.34Å; L316-L320 VanDerWaalsContact O-CG 3.26Å; L316-L320 WeakPolarHBondContact O-CG 3.19Å; L316-L320 PolarHBondContact O-N 2.91Å; L316-H326 HydrophobicContact CD2-CB 3.92Å; L316-A328 HydrophobicContact CD1-CB 4Å; L316-A328 HydrophobicContact CD2-CB 4.23Å; L316-V343 HydrophobicContact CD1-CB 4.49Å; L316-V343 HydrophobicContact CD1-CG2 4.13Å; L316-V343 HydrophobicContact CD2-CB 4.45Å
317	K	98.1	Very high	97.9	Very high	16 Å²	16	46.7 Å²	46.7	7%	0.07	25%	0.25	C	S	.	.	H	α-helix	trans	-48.3	-47.1	173.4	-178.2	-167.5	70.1	-177.7	0	111.2	M275 E276 L279 A313 S321 F348 V389	M275-K317 HydrophobicContact CB-CD 4.45Å; E276-K317 HydrophobicContact CG-CD 4.17Å; E276-K317 WeakPolarHBondContact OE1-CE 3.32Å; E276-K317 IonicContact OE1-NZ 2.71Å; E276-K317 PolarHBondContact OE1-NZ 3.45Å; L279-K317 HydrophobicContact CD1-CB 4.08Å; A313-K317 PolarHBondContact O-N 3.31Å; K317-S321 PolarHBondContact O-N 2.79Å; K317-S321 PolarHBondContact O-OG 2.89Å; K317-F348 HydrophobicContact CG-CZ 4.15Å; K317-V389 HydrophobicContact CG-CG2 4.44Å
318	T	97.3	Very high	97.9	Very high	86 Å²	86	46.5 Å²	46.5	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-68.3	-46.2	-179.8	-53.7	0	0	0	0	112.3	N314 R315 L316 S321	N314-T318 PolarHBondContact O-N 3.25Å; N314-T318 PolarHBondContact O-OG1 2.81Å; R315-T318 WeakPolarHBondContact O-CB 3.32Å; R315-T318 PolarHBondContact O-N 3.01Å; L316-T318 PolarHBondContact O-N 2.77Å; T318-S321 WeakPolarHBondContact O-CB 3.15Å; T318-S321 PolarHBondContact O-N 2.97Å
319	V	98	Very high	97.8	Very high	32 Å²	32	48.4 Å²	48.4	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-41.7	-178.3	174.2	0	0	0	0	111.9	R315 L316 S321 A322 N323 H326	R315-V319 HydrophobicContact CG-CG2 4.21Å; R315-V319 WeakPolarHBondContact O-CG2 3.5Å; R315-V319 PolarHBondContact O-N 2.84Å; L316-V319 PolarHBondContact O-N 3.36Å; L316-V319 VanDerWaalsContact O-N 3.14Å; V319-S321 VanDerWaalsContact C-N 3.26Å; V319-S321 PolarHBondContact O-N 2.83Å; V319-A322 PolarHBondContact O-N 3.29Å; V319-A322 VanDerWaalsContact O-N 3.13Å; V319-N323 HydrophobicContact CG1-CB 4.42Å; V319-N323 WeakPolarHBondContact O-CB 3.4Å; V319-N323 PolarHBondContact O-N 3.43Å; V319-N323 PolarHBondContact O-ND2 3.16Å; V319-H326 HydrophobicContact CG1-CB 3.96Å
320	L	98.4	Very high	97.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-20.9	178.6	-65	174.8	0	0	0	112.6	L316 A322 N323 H326 V343 R345 F348	L316-L320 HydrophobicContact CB-CD1 4.38Å; L316-L320 VanDerWaalsContact O-CB 3.27Å; L316-L320 WeakPolarHBondContact O-CB 3.34Å; L316-L320 VanDerWaalsContact O-CG 3.26Å; L316-L320 WeakPolarHBondContact O-CG 3.19Å; L316-L320 PolarHBondContact O-N 2.91Å; L320-A322 PolarHBondContact O-N 3.16Å; L320-N323 CarbonylContact C-O 3.58Å; L320-N323 WeakPolarHBondContact CA-O 3.41Å; L320-H326 HydrophobicContact CD2-CB 4.33Å; L320-V343 HydrophobicContact CD1-CG1 3.98Å; L320-R345 VanDerWaalsContact O-CZ 3.28Å; L320-R345 PolarHBondContact O-NE 2.84Å; L320-R345 PolarHBondContact O-NH2 2.89Å; L320-F348 HydrophobicContact CD1-CB 3.9Å; L320-F348 HydrophobicContact CD1-CD1 4.48Å; L320-F348 HydrophobicContact CD1-CG 4.26Å
321	S	97	Very high	97.8	Very high	28 Å²	28	54.8 Å²	54.8	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-28.5	170	-62.5	0	0	0	0	112.2	K317 T318 V319 R345 P390	K317-S321 PolarHBondContact O-N 2.79Å; K317-S321 PolarHBondContact O-OG 2.89Å; T318-S321 WeakPolarHBondContact O-CB 3.15Å; T318-S321 PolarHBondContact O-N 2.97Å; V319-S321 VanDerWaalsContact C-N 3.26Å; V319-S321 PolarHBondContact O-N 2.83Å; S321-R345 PolarHBondContact O-NH2 3.5Å; S321-P390 WeakPolarHBondContact O-CG 3.4Å
322	A	97.2	Very high	97.7	Very high	79 Å²	79	48.3 Å²	48.3	65%	0.653	27%	0.27	S	S	*	.	H	α-helix	trans	-99.3	-39.8	175.1	0	0	0	0	0	113.3	V319 L320 R345	V319-A322 PolarHBondContact O-N 3.29Å; V319-A322 VanDerWaalsContact O-N 3.13Å; L320-A322 PolarHBondContact O-N 3.16Å; A322-R345 PolarHBondContact O-NH2 3.24Å; A322-R345 VanDerWaalsContact O-NH2 3.15Å
323	N	98	Very high	97.6	Very high	81 Å²	81	48.1 Å²	48.1	43%	0.433	27%	0.269	S	S	.	.	S	Bend	trans	-106.5	156	-171.3	-58.7	-90.4	0	0	0	112.3	V319 L320 R345	V319-N323 HydrophobicContact CG1-CB 4.42Å; V319-N323 WeakPolarHBondContact O-CB 3.4Å; V319-N323 PolarHBondContact O-N 3.43Å; V319-N323 PolarHBondContact O-ND2 3.16Å; L320-N323 CarbonylContact C-O 3.58Å; L320-N323 WeakPolarHBondContact CA-O 3.41Å; N323-R345 PolarHBondContact O-NE 3.1Å; N323-R345 PolarHBondContact O-NH2 3.03Å
324	A	98.1	Very high	97.5	Very high	71 Å²	71	48.6 Å²	48.6	59%	0.587	27%	0.271	S	S	*	.	S	Bend	trans	-75.4	-25.5	177	0	0	0	0	0	113.3	R345	A324-R345 WeakPolarHBondContact O-CB 3.28Å; A324-R345 PolarHBondContact O-N 3.05Å
325	D	98.2	Very high	97.3	Very high	64 Å²	64	50.9 Å²	50.9	34%	0.342	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	169.8	174.5	68	71.3	0	0	0	112.5	K342 V343 T344	D325-K342 VanDerWaalsContact CB-CE 3.43Å; D325-K342 WeakPolarHBondContact OD1-CE 3.16Å; D325-K342 IonicContact OD1-NZ 2.74Å; D325-K342 PolarHBondContact OD1-NZ 2.81Å; D325-K342 WeakPolarHBondContact OD2-CE 3.26Å; D325-K342 IonicContact OD2-NZ 2.99Å; D325-K342 PolarHBondContact OD2-NZ 2.84Å; D325-V343 WeakPolarHBondContact CA-O 3.44Å; D325-V343 WeakPolarHBondContact CB-O 3.45Å; D325-T344 HydrophobicContact CB-CG2 4.08Å
326	H	98.2	Very high	97	Very high	49 Å²	49	52.6 Å²	52.6	23%	0.227	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.5	170.2	-159.1	54.8	0	0	0	112	L316 V319 L320 V343	L316-H326 HydrophobicContact CD2-CB 3.92Å; V319-H326 HydrophobicContact CG1-CB 3.96Å; L320-H326 HydrophobicContact CD2-CB 4.33Å; H326-V343 PolarHBondContact N-O 2.82Å; H326-V343 PolarHBondContact O-N 2.89Å
327	M	98	Very high	96.8	Very high	81 Å²	81	54.9 Å²	54.9	40%	0.399	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	104.4	166.8	-67.7	-57	-52.7	0	0	109.2	K340 A341 K342	M327-K340 HydrophobicContact CE-CD 4.46Å; M327-K340 HydrophobicContact CE-CG 3.8Å; M327-A341 CarbonylContact C-O 3.53Å; M327-A341 WeakPolarHBondContact CA-O 3.13Å; M327-A341 VanDerWaalsContact CE-C 3.49Å; M327-K342 HydrophobicContact CE-CB 4.25Å; M327-K342 HydrophobicContact SD-CB 3.57Å; M327-K342 VanDerWaalsContact SD-CB 3.57Å; M327-K342 HydrophobicContact SD-CD 4.41Å; M327-K342 HydrophobicContact SD-CG 3.93Å
328	A	97.8	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	135.3	168.1	0	0	0	0	0	109.5	L283 E312 L316 F339 K340 A341 V343	L283-A328 HydrophobicContact CD2-CB 4.09Å; E312-A328 HydrophobicContact CG-CB 4.24Å; E312-A328 WeakPolarHBondContact OE1-CA 3.38Å; L316-A328 HydrophobicContact CD1-CB 4Å; L316-A328 HydrophobicContact CD2-CB 4.23Å; A328-F339 HydrophobicContact CB-CE1 4.28Å; A328-K340 WeakPolarHBondContact O-CA 3.32Å; A328-A341 PolarHBondContact N-O 3.18Å; A328-A341 PolarHBondContact O-N 3.3Å; A328-A341 VanDerWaalsContact O-N 3.12Å; A328-V343 HydrophobicContact CB-CG2 4.46Å
329	Q	97.4	Very high	96.8	Very high	89 Å²	89	55.1 Å²	55.1	42%	0.416	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	125.7	178.2	-179.4	170.9	-49.1	0	0	111.5	E312 F339	E312-Q329 PolarHBondContact OE1-N 2.78Å; Q329-F339 WeakPolarHBondContact CA-O 3.45Å
330	I	97.8	Very high	96.8	Very high	9 Å²	9	59 Å²	59	5%	0.046	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	114.1	176.2	-53.3	176.6	0	0	0	109.6	K308 L309 E312 L333 F339	K308-I330 HydrophobicContact CB-CD1 4.46Å; K308-I330 HydrophobicContact CB-CG2 3.91Å; K308-I330 HydrophobicContact CD-CG2 3.72Å; K308-I330 HydrophobicContact CG-CG2 4.28Å; L309-I330 HydrophobicContact CD2-CD1 3.8Å; L309-I330 HydrophobicContact CG-CD1 4.21Å; E312-I330 HydrophobicContact CB-CD1 3.79Å; E312-I330 HydrophobicContact CB-CG1 4Å; E312-I330 HydrophobicContact CG-CD1 4.23Å; E312-I330 HydrophobicContact CG-CG1 4.05Å; I330-L333 HydrophobicContact CB-CB 4.42Å; I330-L333 HydrophobicContact CD1-CD1 4.27Å; I330-L333 HydrophobicContact CG2-CB 4.07Å; I330-L333 HydrophobicContact CG2-CD1 4.05Å; I330-F339 HydrophobicContact CB-CB 4.35Å; I330-F339 HydrophobicContact CB-CD1 4.38Å; I330-F339 HydrophobicContact CD1-CD1 4.06Å; I330-F339 HydrophobicContact CG1-CD1 4.16Å; I330-F339 PolarHBondContact N-O 2.95Å; I330-F339 PolarHBondContact O-N 3.09Å
331	E	96.7	Very high	96.7	Very high	134 Å²	134	59.3 Å²	59.3	63%	0.626	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.8	176.4	-72.8	155.9	-153.9	0	0	111.9	K308 L333 D338	K308-E331 PolarHBondContact NZ-O 2.96Å; E331-L333 VanDerWaalsContact C-N 3.34Å; E331-L333 PolarHBondContact O-N 3.28Å; E331-D338 VanDerWaalsContact CA-OD1 3.22Å; E331-D338 WeakPolarHBondContact CA-OD1 3.47Å
332	G	95.8	Very high	96.8	Very high	20 Å²	20	63.3 Å²	63.3	21%	0.206	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	45.3	50.9	-179.7	0	0	0	0	0	113.4	K308 M334 V337 D338	K308-G332 PolarHBondContact NZ-O 3.09Å; G332-M334 VanDerWaalsContact C-N 3.35Å; G332-M334 PolarHBondContact O-N 3.46Å; G332-V337 CarbonylContact C-O 3.52Å; G332-D338 PolarHBondContact N-OD1 3.49Å
333	L	96.8	Very high	96.8	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	-48.8	-171.6	171.4	57.9	0	0	0	111.6	F287 V299 A305 K308 L309 I330 E331 V337 F339	F287-L333 HydrophobicContact CB-CD2 4.04Å; F287-L333 HydrophobicContact CD1-CD2 3.89Å; F287-L333 HydrophobicContact CD2-CD2 3.73Å; F287-L333 HydrophobicContact CE1-CD2 4.17Å; F287-L333 HydrophobicContact CE1-CG 4.33Å; F287-L333 HydrophobicContact CE2-CB 4.16Å; F287-L333 HydrophobicContact CE2-CD2 4.02Å; F287-L333 HydrophobicContact CE2-CG 4.36Å; F287-L333 HydrophobicContact CG-CD2 3.62Å; F287-L333 HydrophobicContact CZ-CB 4.23Å; F287-L333 HydrophobicContact CZ-CD2 4.21Å; F287-L333 HydrophobicContact CZ-CG 4.23Å; V299-L333 HydrophobicContact CG2-CD2 4.38Å; V299-L333 HydrophobicContact CG2-CG 4.31Å; A305-L333 HydrophobicContact CB-CD1 3.83Å; A305-L333 HydrophobicContact CB-CG 4.39Å; A305-L333 WeakPolarHBondContact CB-O 3.16Å; K308-L333 HydrophobicContact CB-CD1 3.9Å; K308-L333 HydrophobicContact CD-CD1 4.14Å; L309-L333 HydrophobicContact CD1-CD1 4.17Å; L309-L333 HydrophobicContact CD1-CD2 4.29Å; L309-L333 HydrophobicContact CD2-CD1 4.32Å; L309-L333 HydrophobicContact CD2-CD2 3.88Å; L309-L333 HydrophobicContact CG-CD1 3.82Å; L309-L333 HydrophobicContact CG-CD2 4.17Å; I330-L333 HydrophobicContact CB-CB 4.42Å; I330-L333 HydrophobicContact CD1-CD1 4.27Å; I330-L333 HydrophobicContact CG2-CB 4.07Å; I330-L333 HydrophobicContact CG2-CD1 4.05Å; E331-L333 VanDerWaalsContact C-N 3.34Å; E331-L333 PolarHBondContact O-N 3.28Å; L333-V337 PolarHBondContact N-O 3.45Å; L333-F339 HydrophobicContact CB-CB 3.98Å; L333-F339 HydrophobicContact CD2-CB 3.57Å; L333-F339 HydrophobicContact CD2-CD1 4.23Å; L333-F339 HydrophobicContact CD2-CG 3.89Å; L333-F339 HydrophobicContact CG-CB 4.42Å
334	M	95.7	Very high	96.9	Very high	9 Å²	9	57.9 Å²	57.9	4%	0.044	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	144.5	171.8	-173	164.9	82.1	0	0	109.8	F287 K297 V299 N302 A305 G332 D336 V337	F287-M334 HydrophobicContact CE1-CB 3.91Å; F287-M334 HydrophobicContact CE1-CE 4.42Å; F287-M334 HydrophobicContact CZ-CB 4.01Å; K297-M334 HydrophobicContact CB-CE 4.16Å; K297-M334 WeakPolarHBondContact O-CE 3.26Å; V299-M334 HydrophobicContact CB-CE 4.3Å; V299-M334 HydrophobicContact CG2-CB 4.47Å; V299-M334 HydrophobicContact CG2-SD 4.38Å; N302-M334 HydrophobicContact CB-SD 3.54Å; N302-M334 VanDerWaalsContact CB-SD 3.54Å; N302-M334 WeakPolarHBondContact ND2-CG 3.33Å; N302-M334 PolarHBondContact ND2-SD 3.26Å; N302-M334 VanDerWaalsContact ND2-SD 3.43Å; A305-M334 HydrophobicContact CB-CB 4.29Å; G332-M334 VanDerWaalsContact C-N 3.35Å; G332-M334 PolarHBondContact O-N 3.46Å; M334-D336 PolarHBondContact O-N 2.71Å; M334-V337 WeakPolarHBondContact O-CB 3.39Å; M334-V337 PolarHBondContact O-N 3.02Å
335	D	92.5	Very high	96.9	Very high	95 Å²	95	57.3 Å²	57.3	51%	0.508	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	37.3	-178.9	-41.5	-38.5	0	0	0	113.6	R291 V337	R291-D335 IonicContact CZ-OD2 3.14Å; R291-D335 VanDerWaalsContact CZ-OD2 3.23Å; R291-D335 IonicContact NH1-OD2 2.79Å; R291-D335 PolarHBondContact NH1-OD2 2.77Å; R291-D335 IonicContact NH2-OD2 2.68Å; R291-D335 PolarHBondContact NH2-OD2 2.85Å; D335-V337 PolarHBondContact O-N 3.37Å; D335-V337 VanDerWaalsContact O-N 3.07Å
336	D	91.9	Very high	96.9	Very high	155 Å²	155	58.5 Å²	58.5	83%	0.829	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	17.6	-174.2	-56	-41	0	0	0	115.2	M334	M334-D336 PolarHBondContact O-N 2.71Å
337	V	94.6	Very high	96.9	Very high	49 Å²	49	57.7 Å²	57.7	30%	0.297	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.3	172.8	-173.1	0	0	0	0	110.3	F287 G332 L333 M334 D335	F287-V337 HydrophobicContact CE2-CB 4.11Å; F287-V337 HydrophobicContact CE2-CG1 3.94Å; F287-V337 HydrophobicContact CZ-CB 4.17Å; F287-V337 HydrophobicContact CZ-CG1 4.42Å; G332-V337 CarbonylContact C-O 3.52Å; L333-V337 PolarHBondContact N-O 3.45Å; M334-V337 WeakPolarHBondContact O-CB 3.39Å; M334-V337 PolarHBondContact O-N 3.02Å; D335-V337 PolarHBondContact O-N 3.37Å; D335-V337 VanDerWaalsContact O-N 3.07Å
338	D	96.6	Very high	96.9	Very high	105 Å²	105	53.9 Å²	53.9	56%	0.561	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	141.8	170.3	-69.6	-22.7	0	0	0	111.5	E331 G332	E331-D338 VanDerWaalsContact CA-OD1 3.22Å; E331-D338 WeakPolarHBondContact CA-OD1 3.47Å; G332-D338 PolarHBondContact N-OD1 3.49Å
339	F	97.8	Very high	96.9	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.3	172.7	171.3	-113.7	0	0	0	110.9	L283 L286 F287 L309 A328 Q329 I330 L333 A341	L283-F339 HydrophobicContact CB-CE1 4.04Å; L283-F339 HydrophobicContact CB-CZ 4.08Å; L283-F339 HydrophobicContact CD1-CE1 4.28Å; L283-F339 HydrophobicContact CD2-CE1 3.87Å; L283-F339 HydrophobicContact CD2-CZ 3.86Å; L283-F339 HydrophobicContact CG-CE1 4.27Å; L283-F339 HydrophobicContact CG-CZ 4.47Å; L286-F339 HydrophobicContact CB-CE2 3.95Å; L286-F339 HydrophobicContact CB-CZ 4.14Å; F287-F339 HydrophobicContact CB-CD2 3.68Å; F287-F339 HydrophobicContact CB-CE2 3.95Å; F287-F339 HydrophobicContact CB-CG 4.36Å; F287-F339 HydrophobicContact CD2-CB 3.79Å; F287-F339 AromaticContact CD2-CD2 3.81Å; F287-F339 HydrophobicContact CD2-CD2 3.81Å; F287-F339 HydrophobicContact CD2-CG 4.14Å; F287-F339 HydrophobicContact CE2-CB 4.23Å; F287-F339 HydrophobicContact CG-CD2 4.2Å; L309-F339 HydrophobicContact CD2-CE1 4.45Å; A328-F339 HydrophobicContact CB-CE1 4.28Å; Q329-F339 WeakPolarHBondContact CA-O 3.45Å; I330-F339 HydrophobicContact CB-CB 4.35Å; I330-F339 HydrophobicContact CB-CD1 4.38Å; I330-F339 HydrophobicContact CD1-CD1 4.06Å; I330-F339 HydrophobicContact CG1-CD1 4.16Å; I330-F339 PolarHBondContact N-O 2.95Å; I330-F339 PolarHBondContact O-N 3.09Å; L333-F339 HydrophobicContact CB-CB 3.98Å; L333-F339 HydrophobicContact CD2-CB 3.57Å; L333-F339 HydrophobicContact CD2-CD1 4.23Å; L333-F339 HydrophobicContact CD2-CG 3.89Å; L333-F339 HydrophobicContact CG-CB 4.42Å; F339-A341 HydrophobicContact CE1-CB 4.39Å; F339-A341 HydrophobicContact CE2-CB 3.86Å; F339-A341 HydrophobicContact CZ-CB 3.57Å
340	K	97.6	Very high	97	Very high	113 Å²	113	58 Å²	58	49%	0.491	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	129.8	173.6	-170.1	164.2	-172.8	152.9	0	110.5	Q290 M327 A328	Q290-K340 PolarHBondContact NE2-O 2.82Å; M327-K340 HydrophobicContact CE-CD 4.46Å; M327-K340 HydrophobicContact CE-CG 3.8Å; A328-K340 WeakPolarHBondContact O-CA 3.32Å
341	A	97.9	Very high	97	Very high	9 Å²	9	60.4 Å²	60.4	7%	0.074	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.7	177.9	0	0	0	0	0	111.2	L286 M327 A328 F339	L286-A341 HydrophobicContact CD1-CB 4.04Å; M327-A341 CarbonylContact C-O 3.53Å; M327-A341 WeakPolarHBondContact CA-O 3.13Å; M327-A341 VanDerWaalsContact CE-C 3.49Å; A328-A341 PolarHBondContact N-O 3.18Å; A328-A341 PolarHBondContact O-N 3.3Å; A328-A341 VanDerWaalsContact O-N 3.12Å; F339-A341 HydrophobicContact CE1-CB 4.39Å; F339-A341 HydrophobicContact CE2-CB 3.86Å; F339-A341 HydrophobicContact CZ-CB 3.57Å
342	K	98	Very high	97.1	Very high	112 Å²	112	54 Å²	54	49%	0.487	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.2	165.5	-170.8	169.7	-179.8	168.9	0	108.4	D325 M327	D325-K342 VanDerWaalsContact CB-CE 3.43Å; D325-K342 WeakPolarHBondContact OD1-CE 3.16Å; D325-K342 IonicContact OD1-NZ 2.74Å; D325-K342 PolarHBondContact OD1-NZ 2.81Å; D325-K342 WeakPolarHBondContact OD2-CE 3.26Å; D325-K342 IonicContact OD2-NZ 2.99Å; D325-K342 PolarHBondContact OD2-NZ 2.84Å; M327-K342 HydrophobicContact CE-CB 4.25Å; M327-K342 HydrophobicContact SD-CB 3.57Å; M327-K342 VanDerWaalsContact SD-CB 3.57Å; M327-K342 HydrophobicContact SD-CD 4.41Å; M327-K342 HydrophobicContact SD-CG 3.93Å
343	V	98.3	Very high	97.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.9	172.4	-177.2	0	0	0	0	108.1	L279 L283 L316 L320 D325 H326 A328 E347	L279-V343 HydrophobicContact CD2-CG1 4.21Å; L283-V343 HydrophobicContact CD2-CG2 3.79Å; L316-V343 HydrophobicContact CD1-CB 4.49Å; L316-V343 HydrophobicContact CD1-CG2 4.13Å; L316-V343 HydrophobicContact CD2-CB 4.45Å; L320-V343 HydrophobicContact CD1-CG1 3.98Å; D325-V343 WeakPolarHBondContact CA-O 3.44Å; D325-V343 WeakPolarHBondContact CB-O 3.45Å; H326-V343 PolarHBondContact N-O 2.82Å; H326-V343 PolarHBondContact O-N 2.89Å; A328-V343 HydrophobicContact CB-CG2 4.46Å; V343-E347 WeakPolarHBondContact CA-OE2 3.31Å
344	T	98.6	Very high	97.3	Very high	45 Å²	45	58.3 Å²	58.3	28%	0.276	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	159.3	-179.7	70.6	0	0	0	0	112.2	D325 V346 E347 F348	D325-T344 HydrophobicContact CB-CG2 4.08Å; T344-V346 VanDerWaalsContact C-N 3.29Å; T344-E347 PolarHBondContact N-OE2 2.94Å; T344-E347 VanDerWaalsContact OG1-CB 3.25Å; T344-E347 WeakPolarHBondContact OG1-CB 2.95Å; T344-E347 PolarHBondContact OG1-N 3.24Å; T344-F348 WeakPolarHBondContact O-CB 3.4Å; T344-F348 PolarHBondContact O-N 3.3Å
345	R	98.6	Very high	97.4	Very high	60 Å²	60	57.9 Å²	57.9	23%	0.226	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-41.1	170.7	-179.7	-175.5	-61.8	173	0.9	111	L320 S321 A322 N323 A324 F348 E349	L320-R345 VanDerWaalsContact O-CZ 3.28Å; L320-R345 PolarHBondContact O-NE 2.84Å; L320-R345 PolarHBondContact O-NH2 2.89Å; S321-R345 PolarHBondContact O-NH2 3.5Å; A322-R345 PolarHBondContact O-NH2 3.24Å; A322-R345 VanDerWaalsContact O-NH2 3.15Å; N323-R345 PolarHBondContact O-NE 3.1Å; N323-R345 PolarHBondContact O-NH2 3.03Å; A324-R345 WeakPolarHBondContact O-CB 3.28Å; A324-R345 PolarHBondContact O-N 3.05Å; R345-F348 WeakPolarHBondContact O-CB 3.47Å; R345-F348 PolarHBondContact O-N 3.17Å; R345-E349 WeakPolarHBondContact CD-OE1 3.35Å; R345-E349 VanDerWaalsContact CG-CD 3.46Å; R345-E349 HydrophobicContact CG-CG 4.17Å; R345-E349 VanDerWaalsContact CG-OE1 3.3Å; R345-E349 WeakPolarHBondContact CG-OE1 3.24Å; R345-E349 WeakPolarHBondContact O-CB 3.37Å; R345-E349 WeakPolarHBondContact O-CG 3.42Å; R345-E349 PolarHBondContact O-N 3.28Å
346	V	98.4	Very high	97.7	Very high	89 Å²	89	53.7 Å²	53.7	54%	0.539	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-51.2	179.7	-177.9	0	0	0	0	110.4	T344 F348 E349 E350	T344-V346 VanDerWaalsContact C-N 3.29Å; V346-F348 VanDerWaalsContact C-N 3.31Å; V346-F348 PolarHBondContact O-N 3.47Å; V346-E349 PolarHBondContact O-N 3.01Å; V346-E349 VanDerWaalsContact O-N 3.1Å; V346-E350 HydrophobicContact CG1-CG 4.38Å; V346-E350 WeakPolarHBondContact O-CB 3.47Å; V346-E350 VanDerWaalsContact O-CG 3.31Å; V346-E350 WeakPolarHBondContact O-CG 3.25Å; V346-E350 PolarHBondContact O-N 3.25Å
347	E	98.1	Very high	98	Very high	31 Å²	31	54 Å²	54	15%	0.145	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-40.5	175.1	177	-177.7	-152.6	0	0	112.4	R282 V343 T344 L351	R282-E347 IonicContact CZ-OE1 3.64Å; R282-E347 VanDerWaalsContact CZ-OE1 3.22Å; R282-E347 IonicContact NE-OE1 3.66Å; R282-E347 PolarHBondContact NE-OE1 3.06Å; R282-E347 IonicContact NH2-OE1 3.53Å; R282-E347 PolarHBondContact NH2-OE1 3.28Å; V343-E347 WeakPolarHBondContact CA-OE2 3.31Å; T344-E347 PolarHBondContact N-OE2 2.94Å; T344-E347 VanDerWaalsContact OG1-CB 3.25Å; T344-E347 WeakPolarHBondContact OG1-CB 2.95Å; T344-E347 PolarHBondContact OG1-N 3.24Å; E347-L351 HydrophobicContact CG-CD1 4.42Å; E347-L351 WeakPolarHBondContact O-CB 3.36Å; E347-L351 WeakPolarHBondContact O-CD1 3.38Å; E347-L351 WeakPolarHBondContact O-CG 3.29Å; E347-L351 PolarHBondContact O-N 3.04Å
348	F	98.6	Very high	98.2	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-40.4	174.8	167.1	-122.1	0	0	0	112.6	M275 L279 K317 L320 T344 R345 V346 C352 V389	M275-F348 HydrophobicContact CB-CE2 3.92Å; M275-F348 HydrophobicContact CB-CZ 4.08Å; M275-F348 HydrophobicContact CG-CE2 4.45Å; M275-F348 HydrophobicContact CG-CZ 4.32Å; M275-F348 HydrophobicContact SD-CZ 4.21Å; L279-F348 HydrophobicContact CD1-CD2 3.61Å; L279-F348 HydrophobicContact CD1-CE2 3.65Å; L279-F348 HydrophobicContact CD1-CG 4.45Å; L279-F348 HydrophobicContact CD2-CB 4.29Å; L279-F348 HydrophobicContact CD2-CD2 3.72Å; L279-F348 HydrophobicContact CD2-CG 4.34Å; L279-F348 HydrophobicContact CG-CD2 3.62Å; L279-F348 HydrophobicContact CG-CE2 3.96Å; K317-F348 HydrophobicContact CG-CZ 4.15Å; L320-F348 HydrophobicContact CD1-CB 3.9Å; L320-F348 HydrophobicContact CD1-CD1 4.48Å; L320-F348 HydrophobicContact CD1-CG 4.26Å; T344-F348 WeakPolarHBondContact O-CB 3.4Å; T344-F348 PolarHBondContact O-N 3.3Å; R345-F348 WeakPolarHBondContact O-CB 3.47Å; R345-F348 PolarHBondContact O-N 3.17Å; V346-F348 VanDerWaalsContact C-N 3.31Å; V346-F348 PolarHBondContact O-N 3.47Å; F348-C352 VanDerWaalsContact CE2-SG 3.56Å; F348-C352 PolarHBondContact O-N 2.91Å; F348-C352 PolarHBondContact O-SG 3.28Å; F348-V389 HydrophobicContact CE1-CG1 3.97Å; F348-V389 HydrophobicContact CE1-CG2 4.35Å; F348-V389 HydrophobicContact CZ-CG2 4.47Å
349	E	98.3	Very high	98.3	Very high	38 Å²	38	50.6 Å²	50.6	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-75.7	-35.7	-179.5	-72.3	171.1	171.9	0	0	111.8	R345 V346 C352 A353 F356 R391	R345-E349 WeakPolarHBondContact CD-OE1 3.35Å; R345-E349 VanDerWaalsContact CG-CD 3.46Å; R345-E349 HydrophobicContact CG-CG 4.17Å; R345-E349 VanDerWaalsContact CG-OE1 3.3Å; R345-E349 WeakPolarHBondContact CG-OE1 3.24Å; R345-E349 WeakPolarHBondContact O-CB 3.37Å; R345-E349 WeakPolarHBondContact O-CG 3.42Å; R345-E349 PolarHBondContact O-N 3.28Å; V346-E349 PolarHBondContact O-N 3.01Å; V346-E349 VanDerWaalsContact O-N 3.1Å; E349-C352 CarbonylContact O-C 3.49Å; E349-C352 PolarHBondContact O-N 3.2Å; E349-A353 PolarHBondContact O-N 3.3Å; E349-A353 VanDerWaalsContact O-N 3.16Å; E349-F356 HydrophobicContact CB-CE2 4.05Å; E349-F356 HydrophobicContact CG-CE2 4.18Å; E349-F356 HydrophobicContact CG-CZ 4.28Å; E349-F356 WeakPolarHBondContact O-CE2 3.08Å; E349-R391 HydrophobicContact CG-CB 3.89Å; E349-R391 HydrophobicContact CG-CG 4.39Å
350	E	98.4	Very high	98.4	Very high	137 Å²	137	51.8 Å²	51.8	64%	0.64	26%	0.257	S	S	*	.	H	α-helix	trans	-60.2	-46.2	170	-74.5	171	169.6	0	0	111.6	V346 C352 A353	V346-E350 HydrophobicContact CG1-CG 4.38Å; V346-E350 WeakPolarHBondContact O-CB 3.47Å; V346-E350 VanDerWaalsContact O-CG 3.31Å; V346-E350 WeakPolarHBondContact O-CG 3.25Å; V346-E350 PolarHBondContact O-N 3.25Å; E350-C352 PolarHBondContact O-N 3.28Å; E350-A353 PolarHBondContact O-N 2.74Å
351	L	98.4	Very high	98.4	Very high	61 Å²	61	47.4 Å²	47.4	32%	0.319	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-32.9	175.8	-75.8	166.6	0	0	0	112.7	R278 R282 E347	R278-L351 HydrophobicContact CB-CB 4.45Å; R278-L351 WeakPolarHBondContact CD-O 3.04Å; R278-L351 PolarHBondContact NE-O 3.45Å; R282-L351 HydrophobicContact CB-CD1 3.84Å; R282-L351 HydrophobicContact CG-CD1 3.96Å; E347-L351 HydrophobicContact CG-CD1 4.42Å; E347-L351 WeakPolarHBondContact O-CB 3.36Å; E347-L351 WeakPolarHBondContact O-CD1 3.38Å; E347-L351 WeakPolarHBondContact O-CG 3.29Å; E347-L351 PolarHBondContact O-N 3.04Å
352	C	98.5	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.5	-174	-57.3	0	0	0	0	114	F348 E349 E350 D354 L355 F356	F348-C352 VanDerWaalsContact CE2-SG 3.56Å; F348-C352 PolarHBondContact O-N 2.91Å; F348-C352 PolarHBondContact O-SG 3.28Å; E349-C352 CarbonylContact O-C 3.49Å; E349-C352 PolarHBondContact O-N 3.2Å; E350-C352 PolarHBondContact O-N 3.28Å; C352-D354 VanDerWaalsContact C-N 3.27Å; C352-D354 PolarHBondContact O-N 2.67Å; C352-L355 HydrophobicContact CB-CD1 4.43Å; C352-L355 WeakPolarHBondContact O-CB 3.33Å; C352-L355 PolarHBondContact O-N 2.9Å; C352-F356 HydrophobicContact CB-CD2 4.39Å; C352-F356 HydrophobicContact CB-CE2 3.65Å; C352-F356 HydrophobicContact CB-CZ 3.71Å; C352-F356 VanDerWaalsContact O-CD2 3.26Å; C352-F356 WeakPolarHBondContact O-CD2 3.2Å; C352-F356 PolarHBondContact O-N 2.96Å
353	A	98.3	Very high	98.5	Very high	47 Å²	47	41.9 Å²	41.9	39%	0.388	22%	0.219	S	C	.	.	H	α-helix	trans	-51.3	-44.2	-175.6	0	0	0	0	0	113.2	E349 E350 L355 F356 E357	E349-A353 PolarHBondContact O-N 3.3Å; E349-A353 VanDerWaalsContact O-N 3.16Å; E350-A353 PolarHBondContact O-N 2.74Å; A353-L355 VanDerWaalsContact C-N 3.25Å; A353-L355 PolarHBondContact O-N 2.95Å; A353-F356 PolarHBondContact O-N 2.92Å; A353-F356 VanDerWaalsContact O-N 3.07Å; A353-E357 PolarHBondContact O-N 3.28Å; A353-E357 VanDerWaalsContact O-N 3.16Å
354	D	98.3	Very high	98.5	Very high	67 Å²	67	48 Å²	48	36%	0.358	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-26	179.6	76	-67.8	0	0	0	113.8	R278 C352 R358	R278-D354 IonicContact CZ-OD1 2.72Å; R278-D354 IonicContact CZ-OD2 3.44Å; R278-D354 IonicContact NE-OD1 3.3Å; R278-D354 PolarHBondContact NE-OD1 3.47Å; R278-D354 IonicContact NH2-OD1 2.74Å; R278-D354 PolarHBondContact NH2-OD1 3.16Å; R278-D354 IonicContact NH2-OD2 2.77Å; R278-D354 PolarHBondContact NH2-OD2 2.88Å; C352-D354 VanDerWaalsContact C-N 3.27Å; C352-D354 PolarHBondContact O-N 2.67Å; D354-R358 VanDerWaalsContact O-CD 3.31Å; D354-R358 WeakPolarHBondContact O-CD 3.33Å
355	L	98.5	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-77.6	-35.2	173.9	-60.2	-175.2	0	0	0	111.5	L270 E274 M275 C352 A353 R358	L270-L355 HydrophobicContact CD1-CB 3.73Å; L270-L355 HydrophobicContact CD1-CD2 4.07Å; L270-L355 HydrophobicContact CD1-CG 4.39Å; L270-L355 VanDerWaalsContact CD1-O 3.31Å; L270-L355 WeakPolarHBondContact CD1-O 3.2Å; E274-L355 HydrophobicContact CB-CD1 3.97Å; E274-L355 HydrophobicContact CB-CD2 4.49Å; E274-L355 HydrophobicContact CG-CD1 4.13Å; E274-L355 HydrophobicContact CG-CD2 3.95Å; M275-L355 HydrophobicContact CG-CD1 3.79Å; C352-L355 HydrophobicContact CB-CD1 4.43Å; C352-L355 WeakPolarHBondContact O-CB 3.33Å; C352-L355 PolarHBondContact O-N 2.9Å; A353-L355 VanDerWaalsContact C-N 3.25Å; A353-L355 PolarHBondContact O-N 2.95Å; L355-R358 PolarHBondContact O-N 3.44Å
356	F	98.5	Very high	98.5	Very high	7 Å²	7	46 Å²	46	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-72.6	-32.7	179.9	-55.8	-48.6	0	0	0	112.1	M275 E349 C352 A353 R358 V359 V389 R391 V392 V395	M275-F356 HydrophobicContact CE-CD1 4.46Å; M275-F356 HydrophobicContact CE-CE1 3.7Å; M275-F356 HydrophobicContact CE-CZ 4.4Å; E349-F356 HydrophobicContact CB-CE2 4.05Å; E349-F356 HydrophobicContact CG-CE2 4.18Å; E349-F356 HydrophobicContact CG-CZ 4.28Å; E349-F356 WeakPolarHBondContact O-CE2 3.08Å; C352-F356 HydrophobicContact CB-CD2 4.39Å; C352-F356 HydrophobicContact CB-CE2 3.65Å; C352-F356 HydrophobicContact CB-CZ 3.71Å; C352-F356 VanDerWaalsContact O-CD2 3.26Å; C352-F356 WeakPolarHBondContact O-CD2 3.2Å; C352-F356 PolarHBondContact O-N 2.96Å; A353-F356 PolarHBondContact O-N 2.92Å; A353-F356 VanDerWaalsContact O-N 3.07Å; F356-R358 PolarHBondContact O-N 3.43Å; F356-V359 WeakPolarHBondContact O-CB 3.46Å; F356-V359 PolarHBondContact O-N 2.94Å; F356-V389 HydrophobicContact CE1-CG1 4.25Å; F356-V389 HydrophobicContact CZ-CG1 4.28Å; F356-R391 HydrophobicContact CB-CG 4.41Å; F356-R391 HydrophobicContact CD1-CB 4.33Å; F356-R391 HydrophobicContact CD1-CG 4.01Å; F356-R391 HydrophobicContact CD2-CB 4.29Å; F356-R391 HydrophobicContact CD2-CG 3.42Å; F356-R391 VanDerWaalsContact CD2-CG 3.42Å; F356-R391 HydrophobicContact CE1-CB 4.01Å; F356-R391 HydrophobicContact CE1-CG 4.1Å; F356-R391 HydrophobicContact CE2-CB 3.95Å; F356-R391 HydrophobicContact CE2-CG 3.51Å; F356-R391 HydrophobicContact CG-CB 4.48Å; F356-R391 HydrophobicContact CG-CG 3.69Å; F356-R391 HydrophobicContact CZ-CB 3.81Å; F356-R391 HydrophobicContact CZ-CG 3.87Å; F356-V392 HydrophobicContact CD1-CG2 3.96Å; F356-V392 HydrophobicContact CE1-CG2 3.68Å; F356-V395 HydrophobicContact CB-CG2 4.35Å
357	E	98.4	Very high	98.5	Very high	162 Å²	162	42.8 Å²	42.8	76%	0.757	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.4	171.7	-69.4	179.6	173.7	0	0	113.1	A353 P360	A353-E357 PolarHBondContact O-N 3.28Å; A353-E357 VanDerWaalsContact O-N 3.16Å; E357-P360 WeakPolarHBondContact O-CD 3.39Å
358	R	98.4	Very high	98.5	Very high	82 Å²	82	48 Å²	48	31%	0.309	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-14.4	179.5	-66.6	159.5	60.8	174.3	1.5	114.4	D267 T269 L270 D354 L355 F356 P360 G361 P362	D267-R358 IonicContact OD1-NH2 3.35Å; D267-R358 PolarHBondContact OD1-NH2 3Å; D267-R358 IonicContact OD2-CZ 2.64Å; D267-R358 VanDerWaalsContact OD2-CZ 3.25Å; D267-R358 IonicContact OD2-NE 3.79Å; D267-R358 PolarHBondContact OD2-NE 2.84Å; D267-R358 IonicContact OD2-NH2 2.68Å; D267-R358 PolarHBondContact OD2-NH2 3.17Å; T269-R358 PolarHBondContact OG1-NH2 2.87Å; L270-R358 HydrophobicContact CD1-CB 4.49Å; L270-R358 HydrophobicContact CD2-CB 3.91Å; D354-R358 VanDerWaalsContact O-CD 3.31Å; D354-R358 WeakPolarHBondContact O-CD 3.33Å; L355-R358 PolarHBondContact O-N 3.44Å; F356-R358 PolarHBondContact O-N 3.43Å; R358-P360 VanDerWaalsContact C-CD 3.45Å; R358-P360 VanDerWaalsContact C-N 3.34Å; R358-G361 PolarHBondContact O-N 2.75Å; R358-P362 WeakPolarHBondContact O-CD 3.41Å
359	V	98.8	Very high	98.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.5	179.5	164.2	0	0	0	0	113.7	Y231 F356 G361 V392 V395 L396	Y231-V359 PolarHBondContact OH-O 2.84Å; F356-V359 WeakPolarHBondContact O-CB 3.46Å; F356-V359 PolarHBondContact O-N 2.94Å; V359-G361 VanDerWaalsContact C-N 3.34Å; V359-G361 PolarHBondContact O-N 3.13Å; V359-V392 HydrophobicContact CG2-CG1 4.23Å; V359-V395 HydrophobicContact CB-CG1 4.06Å; V359-V395 HydrophobicContact CG1-CB 4.36Å; V359-V395 HydrophobicContact CG1-CG1 4.08Å; V359-L396 HydrophobicContact CG1-CB 3.87Å; V359-L396 HydrophobicContact CG1-CD1 4.37Å
360	P	98.7	Very high	98.4	Very high	26 Å²	26	46.7 Å²	46.7	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-71.8	-21.4	177.3	-20.5	35	0	0	0	115	E357 R358 V363 Q364 V395 A399	E357-P360 WeakPolarHBondContact O-CD 3.39Å; R358-P360 VanDerWaalsContact C-CD 3.45Å; R358-P360 VanDerWaalsContact C-N 3.34Å; P360-V363 WeakPolarHBondContact O-CB 3.44Å; P360-V363 PolarHBondContact O-N 2.85Å; P360-V363 VanDerWaalsContact O-N 3.1Å; P360-Q364 WeakPolarHBondContact O-CG 3.45Å; P360-Q364 PolarHBondContact O-N 3.29Å; P360-Q364 VanDerWaalsContact O-N 3.08Å; P360-V395 HydrophobicContact CG-CG1 4.16Å; P360-A399 HydrophobicContact CB-CB 3.92Å; P360-A399 HydrophobicContact CG-CB 3.97Å
361	G	98.3	Very high	98.3	Very high	22 Å²	22	48.8 Å²	48.8	23%	0.227	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-51.6	-171.1	0	0	0	0	0	113.9	R358 V359 V363 Q364 Q365	R358-G361 PolarHBondContact O-N 2.75Å; V359-G361 VanDerWaalsContact C-N 3.34Å; V359-G361 PolarHBondContact O-N 3.13Å; G361-V363 VanDerWaalsContact C-N 3.25Å; G361-V363 PolarHBondContact O-N 2.85Å; G361-Q364 PolarHBondContact O-N 2.78Å; G361-Q365 WeakPolarHBondContact O-CG 3.39Å; G361-Q365 PolarHBondContact O-N 2.98Å
362	P	98.6	Very high	98.3	Very high	2 Å²	2	47 Å²	47	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-32.8	174.7	-29.4	38.7	0	0	0	113.8	Y231 T238 C240 G265 D267 R358 A366	Y231-P362 HydrophobicContact CE2-CB 4.47Å; T238-P362 HydrophobicContact CG2-CB 4.13Å; T238-P362 HydrophobicContact CG2-CG 3.78Å; C240-P362 HydrophobicContact CB-CB 3.81Å; C240-P362 WeakPolarHBondContact CB-O 3.46Å; G265-P362 WeakPolarHBondContact CA-O 3.36Å; D267-P362 HydrophobicContact CB-CG 4.15Å; R358-P362 WeakPolarHBondContact O-CD 3.41Å; P362-A366 VanDerWaalsContact O-CB 3.3Å; P362-A366 WeakPolarHBondContact O-CB 3.26Å; P362-A366 PolarHBondContact O-N 2.84Å
363	V	98.8	Very high	98.3	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-48.4	175.9	179.5	0	0	0	0	110.7	M229 Y231 P360 G361 A366 L367 L374 L396 V400	M229-V363 HydrophobicContact CE-CG1 3.97Å; M229-V363 HydrophobicContact SD-CG1 4.01Å; Y231-V363 HydrophobicContact CD2-CG2 3.86Å; Y231-V363 HydrophobicContact CE2-CG2 3.91Å; P360-V363 WeakPolarHBondContact O-CB 3.44Å; P360-V363 PolarHBondContact O-N 2.85Å; P360-V363 VanDerWaalsContact O-N 3.1Å; G361-V363 VanDerWaalsContact C-N 3.25Å; G361-V363 PolarHBondContact O-N 2.85Å; V363-A366 PolarHBondContact O-N 2.99Å; V363-L367 HydrophobicContact CG1-CD1 3.91Å; V363-L367 WeakPolarHBondContact O-CD1 3.37Å; V363-L367 WeakPolarHBondContact O-CG 3.36Å; V363-L367 PolarHBondContact O-N 3.42Å; V363-L374 HydrophobicContact CG1-CD2 4.5Å; V363-L396 HydrophobicContact CG2-CD1 3.68Å; V363-V400 HydrophobicContact CG1-CG1 4.09Å; V363-V400 HydrophobicContact CG2-CG1 4.4Å
364	Q	98.4	Very high	98.2	Very high	128 Å²	128	49.8 Å²	49.8	60%	0.598	25%	0.249	S	C	*	.	H	α-helix	trans	-61.6	-45.9	179.2	-66.9	168.8	-5.4	0	0	111.6	P360 G361 A366 L367 Q368	P360-Q364 WeakPolarHBondContact O-CG 3.45Å; P360-Q364 PolarHBondContact O-N 3.29Å; P360-Q364 VanDerWaalsContact O-N 3.08Å; G361-Q364 PolarHBondContact O-N 2.78Å; Q364-A366 PolarHBondContact O-N 2.86Å; Q364-L367 PolarHBondContact O-N 2.67Å; Q364-Q368 WeakPolarHBondContact O-CB 3.31Å; Q364-Q368 PolarHBondContact O-N 3.44Å
365	Q	98.3	Very high	98.2	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-42.8	175.1	-71.4	175.6	10.6	0	0	112.4	F266 G361 Q368 S369	F266-Q365 PolarHBondContact O-OE1 3.28Å; F266-Q365 VanDerWaalsContact O-OE1 3.13Å; G361-Q365 WeakPolarHBondContact O-CG 3.39Å; G361-Q365 PolarHBondContact O-N 2.98Å; Q365-Q368 PolarHBondContact O-N 2.97Å; Q365-S369 WeakPolarHBondContact O-CB 3.4Å; Q365-S369 PolarHBondContact O-N 2.91Å; Q365-S369 PolarHBondContact O-OG 3.06Å; Q365-S369 VanDerWaalsContact O-OG 3.12Å
366	A	98.7	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-49.1	179.8	0	0	0	0	0	111.2	C240 I242 G263 P362 V363 Q364 S369 A370	C240-A366 HydrophobicContact CB-CB 4.03Å; I242-A366 HydrophobicContact CD1-CB 4.18Å; I242-A366 HydrophobicContact CG1-CB 4.27Å; G263-A366 WeakPolarHBondContact CA-O 3.34Å; P362-A366 VanDerWaalsContact O-CB 3.3Å; P362-A366 WeakPolarHBondContact O-CB 3.26Å; P362-A366 PolarHBondContact O-N 2.84Å; V363-A366 PolarHBondContact O-N 2.99Å; Q364-A366 PolarHBondContact O-N 2.86Å; A366-S369 PolarHBondContact O-N 2.66Å; A366-S369 PolarHBondContact O-OG 2.93Å; A366-A370 WeakPolarHBondContact O-CB 3.39Å; A366-A370 PolarHBondContact O-N 3.24Å
367	L	98.6	Very high	98.1	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-58.1	-49.5	175.7	-70.2	161.4	0	0	0	111.8	M229 I242 V363 Q364 S369 A370 E371 M372 L374 I377	M229-L367 HydrophobicContact CE-CD2 4.07Å; M229-L367 HydrophobicContact CE-CG 4.12Å; I242-L367 HydrophobicContact CD1-CB 4.47Å; I242-L367 HydrophobicContact CD1-CD2 3.78Å; I242-L367 HydrophobicContact CD1-CG 4.07Å; V363-L367 HydrophobicContact CG1-CD1 3.91Å; V363-L367 WeakPolarHBondContact O-CD1 3.37Å; V363-L367 WeakPolarHBondContact O-CG 3.36Å; V363-L367 PolarHBondContact O-N 3.42Å; Q364-L367 PolarHBondContact O-N 2.67Å; L367-S369 VanDerWaalsContact C-N 3.3Å; L367-S369 PolarHBondContact O-N 2.93Å; L367-A370 PolarHBondContact O-N 2.86Å; L367-A370 VanDerWaalsContact O-N 3.11Å; L367-E371 PolarHBondContact O-N 2.8Å; L367-E371 VanDerWaalsContact O-N 3.11Å; L367-M372 PolarHBondContact O-N 3.45Å; L367-L374 HydrophobicContact CD1-CD1 4.41Å; L367-L374 HydrophobicContact CD1-CD2 3.83Å; L367-L374 HydrophobicContact CD1-CG 3.71Å; L367-L374 HydrophobicContact CD2-CD2 4.34Å; L367-L374 HydrophobicContact CD2-CG 4.4Å; L367-I377 HydrophobicContact CD2-CD1 4.45Å; L367-I377 HydrophobicContact CD2-CG1 4.19Å
368	Q	97.9	Very high	98	Very high	141 Å²	141	54 Å²	54	66%	0.659	27%	0.271	S	S	*	.	H	α-helix	trans	-58.7	-40.3	177.7	-170.9	-172	24.7	0	0	112.2	Q364 Q365 E371	Q364-Q368 WeakPolarHBondContact O-CB 3.31Å; Q364-Q368 PolarHBondContact O-N 3.44Å; Q365-Q368 PolarHBondContact O-N 2.97Å; Q368-E371 PolarHBondContact O-N 3.49Å
369	S	97.1	Very high	98	Very high	10 Å²	10	52.3 Å²	52.3	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-75.5	-21.1	178.1	68.2	0	0	0	0	114.4	G263 V264 Q365 A366 L367 M473	G263-S369 WeakPolarHBondContact CA-OG 3.49Å; V264-S369 PolarHBondContact N-OG 3.26Å; V264-S369 PolarHBondContact O-OG 3.46Å; Q365-S369 WeakPolarHBondContact O-CB 3.4Å; Q365-S369 PolarHBondContact O-N 2.91Å; Q365-S369 PolarHBondContact O-OG 3.06Å; Q365-S369 VanDerWaalsContact O-OG 3.12Å; A366-S369 PolarHBondContact O-N 2.66Å; A366-S369 PolarHBondContact O-OG 2.93Å; L367-S369 VanDerWaalsContact C-N 3.3Å; L367-S369 PolarHBondContact O-N 2.93Å; S369-M473 WeakPolarHBondContact O-CG 3.48Å
370	A	97.9	Very high	98	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-84.5	-16.9	174.8	0	0	0	0	0	113.5	I242 R262 A366 L367 M372	I242-A370 HydrophobicContact CD1-CB 3.89Å; R262-A370 HydrophobicContact CB-CB 4.07Å; R262-A370 PolarHBondContact NH2-O 3.16Å; R262-A370 VanDerWaalsContact NH2-O 3.1Å; R262-A370 WeakPolarHBondContact O-CA 3.46Å; A366-A370 WeakPolarHBondContact O-CB 3.39Å; A366-A370 PolarHBondContact O-N 3.24Å; L367-A370 PolarHBondContact O-N 2.86Å; L367-A370 VanDerWaalsContact O-N 3.11Å; A370-M372 VanDerWaalsContact C-N 3.33Å; A370-M372 HydrophobicContact CB-CB 3.94Å; A370-M372 HydrophobicContact CB-CG 3.82Å; A370-M372 HydrophobicContact CB-SD 3.79Å
371	E	97.6	Very high	98	Very high	181 Å²	181	51.1 Å²	51.1	85%	0.846	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	43.3	-165	-63.7	170.2	-161.3	0	0	111.8	L367 Q368	L367-E371 PolarHBondContact O-N 2.8Å; L367-E371 VanDerWaalsContact O-N 3.11Å; Q368-E371 PolarHBondContact O-N 3.49Å
372	M	98.1	Very high	98	Very high	23 Å²	23	50.5 Å²	50.5	11%	0.113	25%	0.251	C	S	.	.			trans	-129.7	154.4	-173	-69.3	175.3	68.3	0	0	113.7	N227 I242 R262 L367 A370 E376 I377	N227-M372 HydrophobicContact CB-CE 4.01Å; N227-M372 VanDerWaalsContact ND2-CE 3.34Å; N227-M372 WeakPolarHBondContact ND2-CE 3.36Å; I242-M372 HydrophobicContact CG2-CE 4.3Å; I242-M372 HydrophobicContact CG2-SD 4.02Å; R262-M372 HydrophobicContact CB-SD 4.25Å; R262-M372 HydrophobicContact CG-SD 4.35Å; L367-M372 PolarHBondContact O-N 3.45Å; A370-M372 VanDerWaalsContact C-N 3.33Å; A370-M372 HydrophobicContact CB-CB 3.94Å; A370-M372 HydrophobicContact CB-CG 3.82Å; A370-M372 HydrophobicContact CB-SD 3.79Å; M372-E376 WeakPolarHBondContact CA-OE2 3.48Å; M372-E376 WeakPolarHBondContact CB-OE2 3.4Å; M372-E376 HydrophobicContact CE-CB 3.73Å; M372-I377 HydrophobicContact CE-CD1 4.08Å
373	S	97.6	Very high	97.9	Very high	52 Å²	52	50.6 Å²	50.6	36%	0.364	25%	0.251	S	S	.	.			trans	-99.7	169	175.1	62.1	0	0	0	0	113.3	D375 E376	S373-D375 VanDerWaalsContact C-N 3.35Å; S373-D375 WeakPolarHBondContact CB-OD1 3.38Å; S373-D375 PolarHBondContact O-N 2.87Å; S373-D375 PolarHBondContact OG-OD1 2.94Å; S373-E376 PolarHBondContact N-OE2 2.84Å; S373-E376 PolarHBondContact O-N 2.71Å
374	L	97.4	Very high	97.7	Very high	53 Å²	53	50.8 Å²	50.8	28%	0.277	25%	0.254	S	S	.	.	S	Bend	trans	-72.6	-25	-175	-89	171.4	0	0	0	113.8	M229 V363 L367 I377 V400 K402	M229-L374 HydrophobicContact CE-CD2 4.37Å; V363-L374 HydrophobicContact CG1-CD2 4.5Å; L367-L374 HydrophobicContact CD1-CD1 4.41Å; L367-L374 HydrophobicContact CD1-CD2 3.83Å; L367-L374 HydrophobicContact CD1-CG 3.71Å; L367-L374 HydrophobicContact CD2-CD2 4.34Å; L367-L374 HydrophobicContact CD2-CG 4.4Å; L374-I377 PolarHBondContact O-N 2.9Å; L374-V400 HydrophobicContact CD2-CB 4.23Å; L374-K402 WeakPolarHBondContact O-CE 3.47Å; L374-K402 PolarHBondContact O-NZ 2.88Å
375	D	96.9	Very high	97.5	Very high	131 Å²	131	46.3 Å²	46.3	70%	0.701	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.9	176.2	50.5	-60.3	0	0	0	112.4	S373 I377	S373-D375 VanDerWaalsContact C-N 3.35Å; S373-D375 WeakPolarHBondContact CB-OD1 3.38Å; S373-D375 PolarHBondContact O-N 2.87Å; S373-D375 PolarHBondContact OG-OD1 2.94Å; D375-I377 PolarHBondContact O-N 2.95Å
376	E	97.7	Very high	97.5	Very high	83 Å²	83	43.4 Å²	43.4	39%	0.388	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.2	172.5	-64.5	-177.7	83.9	0	0	114.4	N227 M372 S373	N227-E376 VanDerWaalsContact CB-O 3.27Å; N227-E376 WeakPolarHBondContact CB-O 3.33Å; N227-E376 PolarHBondContact ND2-O 2.73Å; M372-E376 WeakPolarHBondContact CA-OE2 3.48Å; M372-E376 WeakPolarHBondContact CB-OE2 3.4Å; M372-E376 HydrophobicContact CE-CB 3.73Å; S373-E376 PolarHBondContact N-OE2 2.84Å; S373-E376 PolarHBondContact O-N 2.71Å
377	I	98.4	Very high	97.4	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.231	C	C	.	.			trans	-90.4	113.5	-177.4	-53.6	-60.3	0	0	0	110.1	N227 M229 I242 L367 M372 L374 D375 V380 K402	N227-I377 HydrophobicContact CB-CD1 4.47Å; M229-I377 HydrophobicContact CB-CG2 3.67Å; M229-I377 HydrophobicContact CE-CD1 4.42Å; M229-I377 HydrophobicContact CE-CG1 4.15Å; I242-I377 HydrophobicContact CD1-CD1 4.06Å; I242-I377 HydrophobicContact CG1-CD1 4.08Å; I242-I377 HydrophobicContact CG2-CD1 3.71Å; L367-I377 HydrophobicContact CD2-CD1 4.45Å; L367-I377 HydrophobicContact CD2-CG1 4.19Å; M372-I377 HydrophobicContact CE-CD1 4.08Å; L374-I377 PolarHBondContact O-N 2.9Å; D375-I377 PolarHBondContact O-N 2.95Å; I377-V380 HydrophobicContact CG2-CG2 4.21Å; I377-K402 WeakPolarHBondContact O-CE 3.47Å; I377-K402 PolarHBondContact O-NZ 3.34Å
378	E	96.9	Very high	97.3	Very high	108 Å²	108	48 Å²	48	51%	0.505	25%	0.245	S	C	.	.			trans	-68.8	-49.2	-178.7	-59.9	-179.2	159.8	0	0	111.9	Q226 N227 I228	Q226-E378 WeakPolarHBondContact CA-OE1 3.43Å; Q226-E378 WeakPolarHBondContact CB-OE2 3.36Å; N227-E378 PolarHBondContact O-N 2.8Å; I228-E378 HydrophobicContact CD1-CB 4.21Å
379	Q	97.1	Very high	97.3	Very high	47 Å²	47	41.3 Å²	41.3	22%	0.22	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.1	-177.5	-171.9	169.6	60.8	0	0	111.8	I228 M229 I381 N408	I228-Q379 HydrophobicContact CD1-CB 4.12Å; M229-Q379 PolarHBondContact N-O 2.95Å; Q379-I381 HydrophobicContact CG-CD1 4.48Å; Q379-I381 HydrophobicContact CG-CG1 3.83Å; Q379-N408 PolarHBondContact OE1-ND2 3.02Å
380	V	98.5	Very high	97.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.4	168	-176.4	0	0	0	0	108.4	M229 I377 V400 K402 L405 G406	M229-V380 HydrophobicContact CB-CG2 4.17Å; M229-V380 HydrophobicContact CG-CG1 4.33Å; M229-V380 HydrophobicContact CG-CG2 4.49Å; M229-V380 CarbonylContact O-C 3.56Å; M229-V380 WeakPolarHBondContact O-CA 3.49Å; M229-V380 HydrophobicContact SD-CG1 4.16Å; M229-V380 HydrophobicContact SD-CG2 3.97Å; I377-V380 HydrophobicContact CG2-CG2 4.21Å; V380-V400 HydrophobicContact CB-CG2 4.49Å; V380-V400 HydrophobicContact CG1-CG1 4.34Å; V380-V400 HydrophobicContact CG2-CB 3.96Å; V380-V400 HydrophobicContact CG2-CG1 4.01Å; V380-V400 HydrophobicContact CG2-CG2 4Å; V380-K402 HydrophobicContact CG2-CG 4.25Å; V380-L405 HydrophobicContact CB-CD2 3.99Å; V380-L405 HydrophobicContact CG1-CD2 3.76Å; V380-G406 PolarHBondContact O-N 2.82Å
381	I	98.5	Very high	97.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.3	-172.6	-58.2	-178.6	0	0	0	110.4	Y213 I228 M229 F230 Y231 Q379 G406 I409	Y213-I381 HydrophobicContact CD2-CD1 3.74Å; Y213-I381 HydrophobicContact CE2-CD1 3.19Å; I228-I381 HydrophobicContact CG2-CD1 3.45Å; I228-I381 VanDerWaalsContact CG2-CD1 3.45Å; I228-I381 HydrophobicContact CG2-CG1 3.95Å; M229-I381 PolarHBondContact O-N 3.23Å; F230-I381 HydrophobicContact CD1-CB 4.06Å; F230-I381 HydrophobicContact CD1-CG2 4.19Å; F230-I381 HydrophobicContact CE1-CB 4.22Å; F230-I381 HydrophobicContact CE1-CD1 3.89Å; F230-I381 HydrophobicContact CE1-CG2 4.24Å; F230-I381 HydrophobicContact CZ-CD1 4.18Å; Y231-I381 PolarHBondContact N-O 3.11Å; Q379-I381 HydrophobicContact CG-CD1 4.48Å; Q379-I381 HydrophobicContact CG-CG1 3.83Å; I381-G406 WeakPolarHBondContact CA-O 3.27Å; I381-I409 HydrophobicContact CG2-CG2 3.66Å
382	L	98.4	Very high	97.4	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.5	-179.1	-58.1	-180	0	0	0	112.5	T387 Q393 L396 L405 G406 K407	L382-T387 HydrophobicContact CD2-CG2 4.24Å; L382-Q393 HydrophobicContact CD1-CG 3.71Å; L382-L396 HydrophobicContact CD2-CD2 3.59Å; L382-L405 HydrophobicContact CD1-CB 3.9Å; L382-L405 HydrophobicContact CD1-CD1 4.43Å; L382-L405 HydrophobicContact CD2-CB 4.17Å; L382-L405 HydrophobicContact CD2-CD1 4.21Å; L382-L405 HydrophobicContact CD2-CD2 4.38Å; L382-L405 HydrophobicContact CD2-CG 4.49Å; L382-L405 HydrophobicContact CG-CB 3.97Å; L382-G406 PolarHBondContact N-O 2.87Å; L382-K407 HydrophobicContact CD1-CG 4.21Å
383	V	97.3	Very high	97.5	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	166.9	175.3	-164.2	0	0	0	0	108.1	T209 F230 Y231 D232 M233 T387	T209-V383 HydrophobicContact CG2-CG1 3.93Å; T209-V383 HydrophobicContact CG2-CG2 3.85Å; F230-V383 HydrophobicContact CB-CG2 4.36Å; F230-V383 HydrophobicContact CD1-CG2 4.14Å; Y231-V383 PolarHBondContact O-N 2.83Å; D232-V383 HydrophobicContact CB-CB 3.81Å; D232-V383 HydrophobicContact CB-CG1 4.18Å; D232-V383 VanDerWaalsContact OD2-CG1 3.25Å; D232-V383 WeakPolarHBondContact OD2-CG1 3.35Å; M233-V383 PolarHBondContact N-O 2.8Å; V383-T387 WeakPolarHBondContact O-CG2 3.32Å; V383-T387 PolarHBondContact O-OG1 2.93Å
384	G	95.1	Very high	97.5	Very high	8 Å²	8	41.7 Å²	41.7	8%	0.082	21%	0.208	C	C	.	.	S	Bend	trans	82.2	165.4	174.2	0	0	0	0	0	115.3	D232 M233 T387	D232-G384 WeakPolarHBondContact OD1-CA 3.35Å; D232-G384 PolarHBondContact OD1-N 3.19Å; M233-G384 CarbonylContact O-C 3.54Å; M233-G384 WeakPolarHBondContact O-CA 3.38Å; G384-T387 PolarHBondContact O-OG1 3.13Å
385	G	94.2	Very high	97.6	Very high	34 Å²	34	40.4 Å²	40.4	35%	0.351	20%	0.202	S	C	.	.	S	Bend	trans	-78.2	-33	-173.3	0	0	0	0	0	114.8	M233	M233-G385 PolarHBondContact O-N 3.25Å
386	A	97.3	Very high	97.6	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-93.3	-14	-170.3	0	0	0	0	0	113.8	M233 G234 R388 V389	M233-A386 HydrophobicContact CB-CB 4.42Å; M233-A386 HydrophobicContact CE-CB 4.31Å; M233-A386 HydrophobicContact CG-CB 3.93Å; M233-A386 PolarHBondContact O-N 3.09Å; M233-A386 HydrophobicContact SD-CB 4.25Å; G234-A386 WeakPolarHBondContact O-CB 3.26Å; A386-R388 PolarHBondContact O-N 3.28Å; A386-V389 WeakPolarHBondContact O-CB 3.25Å; A386-V389 PolarHBondContact O-N 2.97Å
387	T	97.6	Very high	97.7	Very high	6 Å²	6	33 Å²	33	4%	0.037	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-58.6	-16.6	165.7	52.5	0	0	0	0	112.7	Y231 M233 L382 V383 G384 V389 Q393	Y231-T387 HydrophobicContact CD1-CG2 3.88Å; Y231-T387 HydrophobicContact CE1-CG2 4.17Å; M233-T387 HydrophobicContact CB-CG2 3.66Å; L382-T387 HydrophobicContact CD2-CG2 4.24Å; V383-T387 WeakPolarHBondContact O-CG2 3.32Å; V383-T387 PolarHBondContact O-OG1 2.93Å; G384-T387 PolarHBondContact O-OG1 3.13Å; T387-V389 PolarHBondContact O-N 3.22Å; T387-Q393 WeakPolarHBondContact O-CG 3.48Å; T387-Q393 PolarHBondContact O-NE2 2.89Å
388	R	96.6	Very high	97.7	Very high	110 Å²	110	41.6 Å²	41.6	42%	0.415	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-68.6	-15.2	173.4	-62.8	-174.5	174.2	104.3	1.6	114.3	A386 D412	A386-R388 PolarHBondContact O-N 3.28Å; R388-D412 IonicContact CZ-OD1 2.67Å; R388-D412 IonicContact NH1-OD1 3.64Å; R388-D412 PolarHBondContact NH1-OD1 3.35Å; R388-D412 IonicContact NH1-OD2 3.41Å; R388-D412 IonicContact NH2-OD1 3.79Å; R388-D412 PolarHBondContact NH2-OD1 2.88Å; R388-D412 IonicContact NH2-OD2 3.28Å
389	V	98.1	Very high	97.7	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.191	C	C	.	.	S	Bend	trans	-70.7	124.2	174.4	174.4	0	0	0	0	109.5	M275 K317 F348 F356 A386 T387 R391 V392 Q393	M275-V389 HydrophobicContact SD-CG2 4.07Å; K317-V389 HydrophobicContact CG-CG2 4.44Å; F348-V389 HydrophobicContact CE1-CG1 3.97Å; F348-V389 HydrophobicContact CE1-CG2 4.35Å; F348-V389 HydrophobicContact CZ-CG2 4.47Å; F356-V389 HydrophobicContact CE1-CG1 4.25Å; F356-V389 HydrophobicContact CZ-CG1 4.28Å; A386-V389 WeakPolarHBondContact O-CB 3.25Å; A386-V389 PolarHBondContact O-N 2.97Å; T387-V389 PolarHBondContact O-N 3.22Å; V389-R391 PolarHBondContact O-N 3.22Å; V389-V392 HydrophobicContact CB-CB 4.46Å; V389-V392 HydrophobicContact CB-CG2 3.89Å; V389-V392 HydrophobicContact CG1-CG2 4.15Å; V389-V392 WeakPolarHBondContact O-CB 3.41Å; V389-V392 PolarHBondContact O-N 3.38Å; V389-Q393 PolarHBondContact O-N 2.88Å
390	P	97.9	Very high	97.7	Very high	38 Å²	38	35.8 Å²	35.8	25%	0.247	18%	0.181	C	C	.	.	H	α-helix	trans	-53.9	-45.5	-174.6	-30.5	36.9	0	0	0	114.3	S321 V392 Q393 E394	S321-P390 WeakPolarHBondContact O-CG 3.4Å; P390-V392 VanDerWaalsContact C-N 3.27Å; P390-V392 PolarHBondContact O-N 2.91Å; P390-Q393 WeakPolarHBondContact O-CB 3.35Å; P390-Q393 PolarHBondContact O-N 3.37Å; P390-Q393 VanDerWaalsContact O-N 3.09Å; P390-E394 PolarHBondContact O-N 2.81Å
391	R	98.3	Very high	97.6	Very high	89 Å²	89	39 Å²	39	34%	0.336	21%	0.214	S	C	.	.	H	α-helix	trans	-61.8	-29	178.9	-169.8	60	174.1	179.1	2.8	114.4	E349 F356 V389 E394 V395	E349-R391 HydrophobicContact CG-CB 3.89Å; E349-R391 HydrophobicContact CG-CG 4.39Å; F356-R391 HydrophobicContact CB-CG 4.41Å; F356-R391 HydrophobicContact CD1-CB 4.33Å; F356-R391 HydrophobicContact CD1-CG 4.01Å; F356-R391 HydrophobicContact CD2-CB 4.29Å; F356-R391 HydrophobicContact CD2-CG 3.42Å; F356-R391 VanDerWaalsContact CD2-CG 3.42Å; F356-R391 HydrophobicContact CE1-CB 4.01Å; F356-R391 HydrophobicContact CE1-CG 4.1Å; F356-R391 HydrophobicContact CE2-CB 3.95Å; F356-R391 HydrophobicContact CE2-CG 3.51Å; F356-R391 HydrophobicContact CG-CB 4.48Å; F356-R391 HydrophobicContact CG-CG 3.69Å; F356-R391 HydrophobicContact CZ-CB 3.81Å; F356-R391 HydrophobicContact CZ-CG 3.87Å; V389-R391 PolarHBondContact O-N 3.22Å; R391-E394 VanDerWaalsContact CD-OE2 3.27Å; R391-E394 WeakPolarHBondContact CD-OE2 3.49Å; R391-E394 IonicContact CZ-OE1 2.66Å; R391-E394 IonicContact CZ-OE2 3.31Å; R391-E394 IonicContact NE-OE2 3.15Å; R391-E394 IonicContact NH1-OE1 3.76Å; R391-E394 PolarHBondContact NH1-OE1 2.86Å; R391-E394 IonicContact NH1-OE2 3.66Å; R391-E394 PolarHBondContact NH1-OE2 3.16Å; R391-V395 WeakPolarHBondContact O-CG2 3.35Å; R391-V395 PolarHBondContact O-N 3.35Å; R391-V395 VanDerWaalsContact O-N 3.09Å
392	V	98.6	Very high	97.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-44.7	173.3	178.9	0	0	0	0	110.2	M233 M275 F356 V359 V389 P390 L396	M233-V392 HydrophobicContact SD-CG1 3.74Å; M233-V392 HydrophobicContact SD-CG2 3.97Å; M275-V392 HydrophobicContact CE-CG2 3.93Å; F356-V392 HydrophobicContact CD1-CG2 3.96Å; F356-V392 HydrophobicContact CE1-CG2 3.68Å; V359-V392 HydrophobicContact CG2-CG1 4.23Å; V389-V392 HydrophobicContact CB-CB 4.46Å; V389-V392 HydrophobicContact CB-CG2 3.89Å; V389-V392 HydrophobicContact CG1-CG2 4.15Å; V389-V392 WeakPolarHBondContact O-CB 3.41Å; V389-V392 PolarHBondContact O-N 3.38Å; P390-V392 VanDerWaalsContact C-N 3.27Å; P390-V392 PolarHBondContact O-N 2.91Å; V392-L396 WeakPolarHBondContact O-CB 3.32Å; V392-L396 PolarHBondContact O-N 2.85Å
393	Q	98.4	Very high	97.3	Very high	42 Å²	42	50.7 Å²	50.7	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-41.7	176	-80	170.7	67.5	0	0	112	L382 T387 V389 P390 L396 L397 L405	L382-Q393 HydrophobicContact CD1-CG 3.71Å; T387-Q393 WeakPolarHBondContact O-CG 3.48Å; T387-Q393 PolarHBondContact O-NE2 2.89Å; V389-Q393 PolarHBondContact O-N 2.88Å; P390-Q393 WeakPolarHBondContact O-CB 3.35Å; P390-Q393 PolarHBondContact O-N 3.37Å; P390-Q393 VanDerWaalsContact O-N 3.09Å; Q393-L396 PolarHBondContact O-N 3.19Å; Q393-L397 WeakPolarHBondContact O-CB 3.47Å; Q393-L397 PolarHBondContact O-N 2.84Å; Q393-L405 HydrophobicContact CB-CD1 4.04Å; Q393-L405 HydrophobicContact CG-CD1 4.11Å; Q393-L405 WeakPolarHBondContact O-CD1 3.36Å
394	E	98.4	Very high	97.3	Very high	106 Å²	106	56.9 Å²	56.9	50%	0.495	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-50.6	178.1	-170.2	-157.8	150.5	0	0	111.9	P390 R391 K398	P390-E394 PolarHBondContact O-N 2.81Å; R391-E394 VanDerWaalsContact CD-OE2 3.27Å; R391-E394 WeakPolarHBondContact CD-OE2 3.49Å; R391-E394 IonicContact CZ-OE1 2.66Å; R391-E394 IonicContact CZ-OE2 3.31Å; R391-E394 IonicContact NE-OE2 3.15Å; R391-E394 IonicContact NH1-OE1 3.76Å; R391-E394 PolarHBondContact NH1-OE1 2.86Å; R391-E394 IonicContact NH1-OE2 3.66Å; R391-E394 PolarHBondContact NH1-OE2 3.16Å; E394-K398 WeakPolarHBondContact O-CB 3.22Å; E394-K398 PolarHBondContact O-N 3.36Å; E394-K398 VanDerWaalsContact O-N 3.11Å
395	V	98.7	Very high	97.4	Very high	26 Å²	26	57 Å²	57	16%	0.158	30%	0.295	C	S	.	.	H	α-helix	trans	-68.2	-39.1	-179.5	175.2	0	0	0	0	111.3	F356 V359 P360 R391 A399	F356-V395 HydrophobicContact CB-CG2 4.35Å; V359-V395 HydrophobicContact CB-CG1 4.06Å; V359-V395 HydrophobicContact CG1-CB 4.36Å; V359-V395 HydrophobicContact CG1-CG1 4.08Å; P360-V395 HydrophobicContact CG-CG1 4.16Å; R391-V395 WeakPolarHBondContact O-CG2 3.35Å; R391-V395 PolarHBondContact O-N 3.35Å; R391-V395 VanDerWaalsContact O-N 3.09Å; V395-A399 VanDerWaalsContact O-CB 3.32Å; V395-A399 WeakPolarHBondContact O-CB 3.39Å; V395-A399 PolarHBondContact O-N 3.45Å
396	L	98.6	Very high	97.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-46.4	176.5	-178.1	62.9	0	0	0	112	Y231 V359 V363 L382 V392 Q393 K398 A399 V400 L405	Y231-L396 HydrophobicContact CD1-CD1 4.44Å; Y231-L396 HydrophobicContact CD1-CD2 3.49Å; Y231-L396 VanDerWaalsContact CD1-CD2 3.49Å; Y231-L396 HydrophobicContact CD2-CD1 3.67Å; Y231-L396 HydrophobicContact CD2-CD2 4.14Å; Y231-L396 HydrophobicContact CE1-CD1 4.5Å; Y231-L396 HydrophobicContact CE1-CD2 3.93Å; Y231-L396 HydrophobicContact CE2-CD1 3.76Å; Y231-L396 HydrophobicContact CG-CD1 4.04Å; Y231-L396 HydrophobicContact CG-CD2 3.61Å; Y231-L396 HydrophobicContact CG-CG 4.5Å; V359-L396 HydrophobicContact CG1-CB 3.87Å; V359-L396 HydrophobicContact CG1-CD1 4.37Å; V363-L396 HydrophobicContact CG2-CD1 3.68Å; L382-L396 HydrophobicContact CD2-CD2 3.59Å; V392-L396 WeakPolarHBondContact O-CB 3.32Å; V392-L396 PolarHBondContact O-N 2.85Å; Q393-L396 PolarHBondContact O-N 3.19Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.18Å; L396-A399 WeakPolarHBondContact O-CB 3.34Å; L396-A399 PolarHBondContact O-N 3.07Å; L396-V400 HydrophobicContact CD1-CG1 4Å; L396-V400 WeakPolarHBondContact O-CG2 3.45Å; L396-V400 PolarHBondContact O-N 3.28Å; L396-L405 HydrophobicContact CB-CD1 4.29Å; L396-L405 HydrophobicContact CD2-CD1 4.21Å; L396-L405 HydrophobicContact CD2-CD2 4.03Å; L396-L405 HydrophobicContact CG-CD1 4.32Å; L396-L405 HydrophobicContact CG-CD2 4.05Å
397	L	98.3	Very high	97.4	Very high	57 Å²	57	62 Å²	62	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-56.1	-47	177.7	-175.4	74.1	0	0	0	110.4	Q393 A399 V400 G401 K402 L405	Q393-L397 WeakPolarHBondContact O-CB 3.47Å; Q393-L397 PolarHBondContact O-N 2.84Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 3.27Å; L397-V400 PolarHBondContact O-N 3.21Å; L397-G401 PolarHBondContact O-N 3.16Å; L397-K402 WeakPolarHBondContact CD1-O 3.31Å; L397-L405 HydrophobicContact CB-CD1 3.92Å; L397-L405 HydrophobicContact CB-CG 4.27Å; L397-L405 HydrophobicContact CD1-CD1 4.39Å; L397-L405 HydrophobicContact CD1-CG 3.87Å
398	K	98.1	Very high	97	Very high	183 Å²	183	64.6 Å²	64.6	80%	0.796	32%	0.321	S	S	*	.	H	α-helix	trans	-61.8	-36.8	174.7	-175.6	-179.9	177.7	-176.5	0	112.8	E394 L396	E394-K398 WeakPolarHBondContact O-CB 3.22Å; E394-K398 PolarHBondContact O-N 3.36Å; E394-K398 VanDerWaalsContact O-N 3.11Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.18Å
399	A	97.8	Very high	96.9	Very high	32 Å²	32	60.7 Å²	60.7	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-74.6	-29	-179.3	0	0	0	0	0	113.8	P360 V395 L396 L397	P360-A399 HydrophobicContact CB-CB 3.92Å; P360-A399 HydrophobicContact CG-CB 3.97Å; V395-A399 VanDerWaalsContact O-CB 3.32Å; V395-A399 WeakPolarHBondContact O-CB 3.39Å; V395-A399 PolarHBondContact O-N 3.45Å; L396-A399 WeakPolarHBondContact O-CB 3.34Å; L396-A399 PolarHBondContact O-N 3.07Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 3.27Å
400	V	97.8	Very high	96.6	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.012	33%	0.327	C	S	.	.	H	α-helix	trans	-95.6	-13.4	179.7	-57.2	0	0	0	0	114.1	M229 V363 L374 V380 L396 L397 K402 L405	M229-V400 HydrophobicContact SD-CG1 4.35Å; V363-V400 HydrophobicContact CG1-CG1 4.09Å; V363-V400 HydrophobicContact CG2-CG1 4.4Å; L374-V400 HydrophobicContact CD2-CB 4.23Å; V380-V400 HydrophobicContact CB-CG2 4.49Å; V380-V400 HydrophobicContact CG1-CG1 4.34Å; V380-V400 HydrophobicContact CG2-CB 3.96Å; V380-V400 HydrophobicContact CG2-CG1 4.01Å; V380-V400 HydrophobicContact CG2-CG2 4Å; L396-V400 HydrophobicContact CD1-CG1 4Å; L396-V400 WeakPolarHBondContact O-CG2 3.45Å; L396-V400 PolarHBondContact O-N 3.28Å; L397-V400 PolarHBondContact O-N 3.21Å; V400-K402 VanDerWaalsContact C-N 3.26Å; V400-K402 HydrophobicContact CB-CG 4.33Å; V400-K402 HydrophobicContact CG2-CB 4.1Å; V400-K402 HydrophobicContact CG2-CG 3.89Å; V400-K402 PolarHBondContact O-N 2.77Å; V400-L405 HydrophobicContact CG2-CD2 4.1Å
401	G	96.1	Very high	96.2	Very high	69 Å²	69	63.5 Å²	63.5	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	22.4	175.6	0	0	0	0	0	115	L397	L397-G401 PolarHBondContact O-N 3.16Å
402	K	94.8	Very high	95.9	Very high	57 Å²	57	60.6 Å²	60.6	25%	0.248	32%	0.315	C	S	.	.			trans	-97.5	159.7	177.9	-54.4	-64.1	168.7	172.4	0	110.5	L374 I377 V380 L397 V400	L374-K402 WeakPolarHBondContact O-CE 3.47Å; L374-K402 PolarHBondContact O-NZ 2.88Å; I377-K402 WeakPolarHBondContact O-CE 3.47Å; I377-K402 PolarHBondContact O-NZ 3.34Å; V380-K402 HydrophobicContact CG2-CG 4.25Å; L397-K402 WeakPolarHBondContact CD1-O 3.31Å; V400-K402 VanDerWaalsContact C-N 3.26Å; V400-K402 HydrophobicContact CB-CG 4.33Å; V400-K402 HydrophobicContact CG2-CB 4.1Å; V400-K402 HydrophobicContact CG2-CG 3.89Å; V400-K402 PolarHBondContact O-N 2.77Å
403	E	95.1	Very high	95.7	Very high	197 Å²	197	61.9 Å²	61.9	92%	0.921	32%	0.321	S	S	*	.	S	Bend	trans	-71.2	-35.8	178.6	-59.9	-172	155.8	0	0	112.8
404	E	96.8	Very high	95.7	Very high	134 Å²	134	60.1 Å²	60.1	63%	0.626	31%	0.313	S	S	*	.			trans	-140.9	166.8	176.6	64.7	156.8	-148.4	0	0	113.6
405	L	97.9	Very high	95.6	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.058	29%	0.294	C	S	.	.			trans	-111.4	118.3	173	-68.1	166.1	0	0	0	109.3	V380 L382 Q393 L396 L397 V400	V380-L405 HydrophobicContact CB-CD2 3.99Å; V380-L405 HydrophobicContact CG1-CD2 3.76Å; L382-L405 HydrophobicContact CD1-CB 3.9Å; L382-L405 HydrophobicContact CD1-CD1 4.43Å; L382-L405 HydrophobicContact CD2-CB 4.17Å; L382-L405 HydrophobicContact CD2-CD1 4.21Å; L382-L405 HydrophobicContact CD2-CD2 4.38Å; L382-L405 HydrophobicContact CD2-CG 4.49Å; L382-L405 HydrophobicContact CG-CB 3.97Å; Q393-L405 HydrophobicContact CB-CD1 4.04Å; Q393-L405 HydrophobicContact CG-CD1 4.11Å; Q393-L405 WeakPolarHBondContact O-CD1 3.36Å; L396-L405 HydrophobicContact CB-CD1 4.29Å; L396-L405 HydrophobicContact CD2-CD1 4.21Å; L396-L405 HydrophobicContact CD2-CD2 4.03Å; L396-L405 HydrophobicContact CG-CD1 4.32Å; L396-L405 HydrophobicContact CG-CD2 4.05Å; L397-L405 HydrophobicContact CB-CD1 3.92Å; L397-L405 HydrophobicContact CB-CG 4.27Å; L397-L405 HydrophobicContact CD1-CD1 4.39Å; L397-L405 HydrophobicContact CD1-CG 3.87Å; V400-L405 HydrophobicContact CG2-CD2 4.1Å
406	G	96.5	Very high	95.6	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.021	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-62.2	129.8	-173.5	0	0	0	0	0	113.1	V380 I381 L382	V380-G406 PolarHBondContact O-N 2.82Å; I381-G406 WeakPolarHBondContact CA-O 3.27Å; L382-G406 PolarHBondContact N-O 2.87Å
407	K	95.1	Very high	95.6	Very high	137 Å²	137	55.7 Å²	55.7	60%	0.596	29%	0.293	S	S	*	.			trans	-120.2	25.1	-179.9	-69.1	154.2	-172.3	170.6	0	111.7	L382 I409	L382-K407 HydrophobicContact CD1-CG 4.21Å; K407-I409 VanDerWaalsContact C-N 3.26Å; K407-I409 PolarHBondContact O-N 3.39Å
408	N	90.3	Very high	95.6	Very high	62 Å²	62	53 Å²	53	33%	0.332	28%	0.279	S	S	.	.			trans	-88.4	24.6	-169.2	65.2	4	0	0	0	113.6	R217 Q379	R217-N408 VanDerWaalsContact NH2-CG 3.28Å; R217-N408 PolarHBondContact NH2-ND2 2.96Å; R217-N408 PolarHBondContact NH2-O 2.89Å; Q379-N408 PolarHBondContact OE1-ND2 3.02Å
409	I	92.6	Very high	95.6	Very high	28 Å²	28	44.2 Å²	44.2	14%	0.144	24%	0.241	C	C	.	.	S	Bend	trans	-143.2	148.8	178.3	-162.4	173.1	0	0	0	110.1	T209 Y213 I381 K407 A411 A414	T209-I409 HydrophobicContact CG2-CD1 4.06Å; Y213-I409 HydrophobicContact CD2-CD1 4.43Å; I381-I409 HydrophobicContact CG2-CG2 3.66Å; K407-I409 VanDerWaalsContact C-N 3.26Å; K407-I409 PolarHBondContact O-N 3.39Å; I409-A411 PolarHBondContact O-N 2.96Å; I409-A414 HydrophobicContact CD1-CB 3.59Å; I409-A414 HydrophobicContact CG1-CB 3.92Å
410	N	93.6	Very high	95.6	Very high	77 Å²	77	42.7 Å²	42.7	41%	0.412	23%	0.228	S	C	.	.			trans	-76.5	89.9	170.8	-172.6	-5.2	0	0	0	110.2	D412 E413 A414	N410-D412 PolarHBondContact O-N 3.5Å; N410-D412 PolarHBondContact OD1-N 2.92Å; N410-E413 HydrophobicContact CB-CB 4.42Å; N410-E413 WeakPolarHBondContact ND2-CG 3.13Å; N410-E413 PolarHBondContact ND2-OE1 3.4Å; N410-E413 PolarHBondContact ND2-OE2 3.43Å; N410-E413 PolarHBondContact O-N 2.7Å; N410-A414 WeakPolarHBondContact O-CB 3.46Å; N410-A414 PolarHBondContact O-N 3.11Å
411	A	88.3	Confident	95.6	Very high	21 Å²	21	43.6 Å²	43.6	17%	0.174	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.6	-179.9	0	0	0	0	0	115.4	I409	I409-A411 PolarHBondContact O-N 2.96Å
412	D	91.7	Very high	95.7	Very high	29 Å²	29	41.4 Å²	41.4	16%	0.155	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-17	177.4	-82.5	21.7	0	0	0	113.5	K46 K67 R388 N410	K46-D412 VanDerWaalsContact CD-O 3.23Å; K46-D412 WeakPolarHBondContact CD-O 3.45Å; K46-D412 WeakPolarHBondContact CE-O 3.05Å; K67-D412 HydrophobicContact CD-CB 4.27Å; K67-D412 WeakPolarHBondContact CD-OD2 3.21Å; K67-D412 WeakPolarHBondContact CE-OD2 3.43Å; K67-D412 IonicContact NZ-OD2 3.36Å; K67-D412 PolarHBondContact NZ-OD2 3.09Å; R388-D412 IonicContact CZ-OD1 2.67Å; R388-D412 IonicContact NH1-OD1 3.64Å; R388-D412 PolarHBondContact NH1-OD1 3.35Å; R388-D412 IonicContact NH1-OD2 3.41Å; R388-D412 IonicContact NH2-OD1 3.79Å; R388-D412 PolarHBondContact NH2-OD1 2.88Å; R388-D412 IonicContact NH2-OD2 3.28Å; N410-D412 PolarHBondContact O-N 3.5Å; N410-D412 PolarHBondContact OD1-N 2.92Å
413	E	95.8	Very high	95.8	Very high	28 Å²	28	38.7 Å²	38.7	13%	0.131	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-17.9	-168.9	-66.5	175.7	-156.5	0	0	114	I58 R66 N410 A415 A416 M417	I58-E413 HydrophobicContact CD1-CB 4.07Å; I58-E413 HydrophobicContact CD1-CG 4.1Å; I58-E413 HydrophobicContact CG1-CB 4.22Å; I58-E413 HydrophobicContact CG1-CG 3.96Å; R66-E413 IonicContact CZ-OE1 2.76Å; R66-E413 IonicContact CZ-OE2 3.91Å; R66-E413 IonicContact NE-OE1 3.71Å; R66-E413 PolarHBondContact NE-OE1 3.16Å; R66-E413 IonicContact NE-OE2 2.78Å; R66-E413 PolarHBondContact NE-OE2 3.01Å; R66-E413 IonicContact NH2-OE1 2.89Å; R66-E413 IonicContact NH2-OE2 3.3Å; R66-E413 PolarHBondContact NH2-OE2 3.19Å; N410-E413 HydrophobicContact CB-CB 4.42Å; N410-E413 WeakPolarHBondContact ND2-CG 3.13Å; N410-E413 PolarHBondContact ND2-OE1 3.4Å; N410-E413 PolarHBondContact ND2-OE2 3.43Å; N410-E413 PolarHBondContact O-N 2.7Å; E413-A415 PolarHBondContact O-N 3.07Å; E413-A416 PolarHBondContact O-N 2.77Å; E413-A416 VanDerWaalsContact O-N 3.12Å; E413-M417 HydrophobicContact CB-CG 4.4Å; E413-M417 WeakPolarHBondContact O-CG 3.46Å; E413-M417 PolarHBondContact O-N 3.19Å
414	A	96.6	Very high	95.9	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-53.6	-46.7	-172.7	0	0	0	0	0	114.1	T209 S212 I409 N410 A416 M417 G418	T209-A414 HydrophobicContact CG2-CB 3.86Å; S212-A414 VanDerWaalsContact CB-O 3.22Å; S212-A414 WeakPolarHBondContact CB-O 3.42Å; I409-A414 HydrophobicContact CD1-CB 3.59Å; I409-A414 HydrophobicContact CG1-CB 3.92Å; N410-A414 WeakPolarHBondContact O-CB 3.46Å; N410-A414 PolarHBondContact O-N 3.11Å; A414-A416 PolarHBondContact O-N 3.44Å; A414-M417 PolarHBondContact O-N 2.8Å; A414-G418 PolarHBondContact O-N 2.97Å
415	A	98	Very high	95.8	Very high	10 Å²	10	25.4 Å²	25.4	8%	0.083	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-44.1	178.6	0	0	0	0	0	112.2	D39 T175 A208 E413 A419	D39-A415 HydrophobicContact CB-CB 4.37Å; T175-A415 HydrophobicContact CG2-CB 4.26Å; A208-A415 HydrophobicContact CB-CB 4.48Å; A208-A415 WeakPolarHBondContact CB-O 3.23Å; E413-A415 PolarHBondContact O-N 3.07Å; A415-A419 WeakPolarHBondContact O-CB 3.3Å; A415-A419 PolarHBondContact O-N 3.28Å
416	A	98.3	Very high	95.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.1	-41.3	176.8	0	0	0	0	0	112.2	S37 D39 K46 A48 I58 E413 A414 A419 V420	S37-A416 PolarHBondContact OG-O 2.96Å; D39-A416 HydrophobicContact CB-CB 3.83Å; K46-A416 HydrophobicContact CB-CB 4.11Å; A48-A416 HydrophobicContact CB-CB 4.2Å; I58-A416 HydrophobicContact CD1-CB 3.68Å; E413-A416 PolarHBondContact O-N 2.77Å; E413-A416 VanDerWaalsContact O-N 3.12Å; A414-A416 PolarHBondContact O-N 3.44Å; A416-A419 PolarHBondContact O-N 2.91Å; A416-V420 PolarHBondContact O-N 2.94Å
417	M	98	Very high	95.4	Very high	29 Å²	29	28.7 Å²	28.7	14%	0.143	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-41	-179.5	-69.8	-55.8	-59.5	0	0	112.8	A48 M56 I58 E413 A414 V420 Y421	A48-M417 HydrophobicContact CB-SD 4.35Å; M56-M417 HydrophobicContact CB-CE 3.88Å; I58-M417 HydrophobicContact CD1-CG 4.25Å; I58-M417 HydrophobicContact CD1-SD 3.99Å; I58-M417 HydrophobicContact CG1-SD 3.96Å; E413-M417 HydrophobicContact CB-CG 4.4Å; E413-M417 WeakPolarHBondContact O-CG 3.46Å; E413-M417 PolarHBondContact O-N 3.19Å; A414-M417 PolarHBondContact O-N 2.8Å; M417-V420 WeakPolarHBondContact O-CG1 3.4Å; M417-Y421 PolarHBondContact O-N 2.75Å; M417-Y421 VanDerWaalsContact O-N 3.09Å
418	G	98.1	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.9	-40.1	171.7	0	0	0	0	0	112.4	A208 L211 A414 V420 Y421 Q422	A208-G418 WeakPolarHBondContact O-CA 3.43Å; L211-G418 WeakPolarHBondContact CD2-O 3.38Å; A414-G418 PolarHBondContact O-N 2.97Å; G418-V420 PolarHBondContact O-N 3.08Å; G418-Y421 WeakPolarHBondContact O-CB 3.41Å; G418-Y421 PolarHBondContact O-N 2.93Å; G418-Q422 PolarHBondContact O-N 2.89Å
419	A	98.6	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-36	177.1	0	0	0	0	0	113	V173 T175 I203 A208 A415 A416 Q422 A423	V173-A419 WeakPolarHBondContact CB-O 3.48Å; V173-A419 HydrophobicContact CG1-CB 3.98Å; T175-A419 HydrophobicContact CG2-CB 4Å; I203-A419 HydrophobicContact CG2-CB 3.91Å; A208-A419 HydrophobicContact CB-CB 4.35Å; A415-A419 WeakPolarHBondContact O-CB 3.3Å; A415-A419 PolarHBondContact O-N 3.28Å; A416-A419 PolarHBondContact O-N 2.91Å; A419-Q422 PolarHBondContact O-N 2.87Å; A419-A423 PolarHBondContact O-N 2.95Å
420	V	98.1	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-77.2	-29.7	174.7	72.3	0	0	0	0	112.4	A48 V50 M56 A416 M417 G418 Q422 A423 A424	A48-V420 HydrophobicContact CB-CB 3.87Å; A48-V420 HydrophobicContact CB-CG1 3.68Å; A48-V420 HydrophobicContact CB-CG2 4.44Å; V50-V420 HydrophobicContact CB-CG2 4.24Å; V50-V420 HydrophobicContact CG1-CG2 4.07Å; M56-V420 HydrophobicContact CB-CG1 3.94Å; M56-V420 HydrophobicContact CG-CG1 4.05Å; M56-V420 HydrophobicContact SD-CG1 4.47Å; A416-V420 PolarHBondContact O-N 2.94Å; M417-V420 WeakPolarHBondContact O-CG1 3.4Å; G418-V420 PolarHBondContact O-N 3.08Å; V420-Q422 VanDerWaalsContact C-N 3.28Å; V420-Q422 PolarHBondContact O-N 3.21Å; V420-A423 PolarHBondContact O-N 3.22Å; V420-A424 WeakPolarHBondContact O-CB 3.23Å; V420-A424 PolarHBondContact O-N 2.92Å
421	Y	97.8	Very high	94.7	Very high	20 Å²	20	38.5 Å²	38.5	8%	0.078	20%	0.198	C	C	.	.	H	α-helix	trans	-59.3	-43.6	167.8	-169.5	-89.2	0	0	0	111.1	M56 L211 V215 R218 M417 G418 A424 A425 V432 K433 F435	M56-Y421 HydrophobicContact CE-CD2 3.76Å; M56-Y421 HydrophobicContact CE-CE2 4.48Å; M56-Y421 HydrophobicContact CE-CG 4.33Å; M56-Y421 HydrophobicContact SD-CD2 3.75Å; M56-Y421 HydrophobicContact SD-CG 4.41Å; L211-Y421 HydrophobicContact CD1-CD1 4.25Å; L211-Y421 HydrophobicContact CD1-CE1 4.5Å; L211-Y421 HydrophobicContact CD2-CD1 4.27Å; L211-Y421 HydrophobicContact CG-CD1 4.32Å; V215-Y421 HydrophobicContact CB-CD2 4.48Å; V215-Y421 HydrophobicContact CB-CE2 4.32Å; V215-Y421 HydrophobicContact CG1-CD2 3.69Å; V215-Y421 HydrophobicContact CG1-CE2 3.44Å; V215-Y421 VanDerWaalsContact CG1-CE2 3.44Å; V215-Y421 HydrophobicContact CG1-CG 4.39Å; V215-Y421 HydrophobicContact CG2-CD1 3.75Å; V215-Y421 HydrophobicContact CG2-CD2 4.04Å; V215-Y421 HydrophobicContact CG2-CE1 3.5Å; V215-Y421 VanDerWaalsContact CG2-CE1 3.5Å; V215-Y421 HydrophobicContact CG2-CE2 3.84Å; V215-Y421 HydrophobicContact CG2-CG 3.99Å; R218-Y421 PolarHBondContact NH1-OH 2.86Å; R218-Y421 PolarHBondContact NH2-OH 3.15Å; M417-Y421 PolarHBondContact O-N 2.75Å; M417-Y421 VanDerWaalsContact O-N 3.09Å; G418-Y421 WeakPolarHBondContact O-CB 3.41Å; G418-Y421 PolarHBondContact O-N 2.93Å; Y421-A424 PolarHBondContact O-N 3.06Å; Y421-A425 PolarHBondContact O-N 3.03Å; Y421-V432 HydrophobicContact CE1-CG2 4.29Å; Y421-V432 HydrophobicContact CE2-CB 4.29Å; Y421-V432 HydrophobicContact CE2-CG1 4.43Å; Y421-K433 PolarHBondContact OH-O 2.78Å; Y421-F435 HydrophobicContact CE1-CB 4.16Å
422	Q	97.8	Very high	94.9	Very high	24 Å²	24	39.2 Å²	39.2	11%	0.112	20%	0.2	C	C	.	.	H	α-helix	trans	-67.5	-40	175.4	-170.6	64.5	4.6	0	0	112.3	I203 L211 G418 A419 V420 A424 A425 L426	I203-Q422 HydrophobicContact CD1-CB 4.24Å; I203-Q422 HydrophobicContact CD1-CG 4.23Å; L211-Q422 HydrophobicContact CD2-CB 3.99Å; G418-Q422 PolarHBondContact O-N 2.89Å; A419-Q422 PolarHBondContact O-N 2.87Å; V420-Q422 VanDerWaalsContact C-N 3.28Å; V420-Q422 PolarHBondContact O-N 3.21Å; Q422-A424 VanDerWaalsContact C-N 3.28Å; Q422-A424 PolarHBondContact O-N 3.16Å; Q422-A425 WeakPolarHBondContact O-CB 3.25Å; Q422-A425 PolarHBondContact O-N 2.84Å; Q422-A425 VanDerWaalsContact O-N 3.1Å; Q422-L426 HydrophobicContact CG-CD1 4.15Å; Q422-L426 WeakPolarHBondContact O-CG 3.32Å; Q422-L426 PolarHBondContact O-N 2.98Å
423	A	97.4	Very high	94.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-41	173.1	0	0	0	0	0	111.8	V35 V173 L200 A419 V420 L426 S427	V35-A423 HydrophobicContact CB-CB 4.38Å; V35-A423 HydrophobicContact CG2-CB 3.75Å; V173-A423 HydrophobicContact CB-CB 4.08Å; V173-A423 HydrophobicContact CG2-CB 3.63Å; L200-A423 HydrophobicContact CD1-CB 4.46Å; A419-A423 PolarHBondContact O-N 2.95Å; V420-A423 PolarHBondContact O-N 3.22Å; A423-L426 PolarHBondContact O-N 2.85Å; A423-S427 WeakPolarHBondContact O-CB 3.4Å; A423-S427 PolarHBondContact O-N 2.88Å
424	A	96.2	Very high	94.8	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-69.9	-29	175	0	0	0	0	0	113.5	V50 M56 V420 Y421 Q422 F430 V432	V50-A424 HydrophobicContact CG1-CB 4Å; M56-A424 HydrophobicContact CE-CB 3.47Å; M56-A424 VanDerWaalsContact CE-CB 3.47Å; V420-A424 WeakPolarHBondContact O-CB 3.23Å; V420-A424 PolarHBondContact O-N 2.92Å; Y421-A424 PolarHBondContact O-N 3.06Å; Q422-A424 VanDerWaalsContact C-N 3.28Å; Q422-A424 PolarHBondContact O-N 3.16Å; A424-F430 HydrophobicContact CB-CB 4.3Å; A424-F430 HydrophobicContact CB-CD2 4.42Å; A424-F430 HydrophobicContact CB-CG 4.48Å; A424-V432 HydrophobicContact CB-CG1 3.67Å
425	A	95.1	Very high	94.8	Very high	50 Å²	50	47.5 Å²	47.5	41%	0.413	24%	0.24	S	C	.	.	H	α-helix	trans	-73.3	-34.7	174.8	0	0	0	0	0	112.7	Y421 Q422 V432	Y421-A425 PolarHBondContact O-N 3.03Å; Q422-A425 WeakPolarHBondContact O-CB 3.25Å; Q422-A425 PolarHBondContact O-N 2.84Å; Q422-A425 VanDerWaalsContact O-N 3.1Å; A425-V432 HydrophobicContact CB-CG2 3.75Å
426	L	95.1	Very high	94.7	Very high	69 Å²	69	48.4 Å²	48.4	36%	0.361	25%	0.245	S	C	.	.	H	α-helix	trans	-85.2	-22.7	178.7	-64.9	172.4	0	0	0	113.3	V173 L200 Q201 Q422 A423	V173-L426 HydrophobicContact CG2-CD1 4.29Å; L200-L426 HydrophobicContact CB-CB 4.35Å; L200-L426 HydrophobicContact CB-CD1 3.94Å; L200-L426 HydrophobicContact CD1-CB 4.16Å; Q201-L426 HydrophobicContact CB-CD1 3.73Å; Q422-L426 HydrophobicContact CG-CD1 4.15Å; Q422-L426 WeakPolarHBondContact O-CG 3.32Å; Q422-L426 PolarHBondContact O-N 2.98Å; A423-L426 PolarHBondContact O-N 2.85Å
427	S	92.1	Very high	94.6	Very high	13 Å²	13	49.9 Å²	49.9	9%	0.091	25%	0.253	C	S	.	.			trans	-80.2	130.8	-179.9	179.5	0	0	0	0	112.5	A423 A429 F430	A423-S427 WeakPolarHBondContact O-CB 3.4Å; A423-S427 PolarHBondContact O-N 2.88Å; S427-A429 PolarHBondContact O-N 3.39Å; S427-A429 WeakPolarHBondContact OG-CB 3.4Å; S427-A429 PolarHBondContact OG-N 3.05Å; S427-F430 PolarHBondContact O-N 3Å
428	K	87.4	Confident	94.5	Very high	216 Å²	216	53.2 Å²	53.2	94%	0.939	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.7	174	-61.9	-175.5	179.6	-176.8	0	113.8
429	A	87.7	Confident	94.5	Very high	39 Å²	39	53.5 Å²	53.5	32%	0.322	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.2	179.8	0	0	0	0	0	113.7	L33 S427	L33-A429 HydrophobicContact CB-CB 4.09Å; L33-A429 HydrophobicContact CD2-CB 3.66Å; L33-A429 HydrophobicContact CG-CB 4.48Å; L33-A429 WeakPolarHBondContact O-CB 3.4Å; S427-A429 PolarHBondContact O-N 3.39Å; S427-A429 WeakPolarHBondContact OG-CB 3.4Å; S427-A429 PolarHBondContact OG-N 3.05Å
430	F	90.6	Very high	94.4	Very high	47 Å²	47	53.7 Å²	53.7	21%	0.206	27%	0.267	C	S	.	.			trans	-129.3	161.3	-173.9	-56.9	-75.6	0	0	0	112.3	L33 V35 V50 A424 S427	L33-F430 WeakPolarHBondContact O-CE2 3.38Å; L33-F430 VanDerWaalsContact O-CZ 3.23Å; L33-F430 WeakPolarHBondContact O-CZ 3.38Å; V35-F430 HydrophobicContact CG1-CE2 4.48Å; V35-F430 HydrophobicContact CG2-CD2 4.32Å; V35-F430 HydrophobicContact CG2-CE2 3.96Å; V50-F430 HydrophobicContact CB-CZ 4.37Å; V50-F430 HydrophobicContact CG1-CD2 4.04Å; V50-F430 HydrophobicContact CG1-CE1 4.37Å; V50-F430 HydrophobicContact CG1-CE2 3.65Å; V50-F430 HydrophobicContact CG1-CZ 3.84Å; V50-F430 HydrophobicContact CG2-CD1 4.11Å; V50-F430 HydrophobicContact CG2-CE1 3.77Å; V50-F430 HydrophobicContact CG2-CZ 4.01Å; A424-F430 HydrophobicContact CB-CB 4.3Å; A424-F430 HydrophobicContact CB-CD2 4.42Å; A424-F430 HydrophobicContact CB-CG 4.48Å; S427-F430 PolarHBondContact O-N 3Å
431	K	90.8	Very high	94.4	Very high	209 Å²	209	54.1 Å²	54.1	91%	0.909	27%	0.27	S	S	*	.			trans	-133.3	91.5	172.4	-172.2	174.4	-176.8	174.9	0	109.8
432	V	92.1	Very high	94.4	Very high	36 Å²	36	53.7 Å²	53.7	22%	0.218	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-78.5	165.6	171.5	-58	0	0	0	0	111	M56 Y421 A424 A425	M56-V432 HydrophobicContact CE-CG1 3.78Å; Y421-V432 HydrophobicContact CE1-CG2 4.29Å; Y421-V432 HydrophobicContact CE2-CB 4.29Å; Y421-V432 HydrophobicContact CE2-CG1 4.43Å; A424-V432 HydrophobicContact CB-CG1 3.67Å; A425-V432 HydrophobicContact CB-CG2 3.75Å
433	K	92.4	Very high	94.4	Very high	147 Å²	147	53.2 Å²	53.2	64%	0.639	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-69.7	135.3	167.7	-66.4	-178.1	178.4	-178	0	108.8	R218 Y421 F435	R218-K433 PolarHBondContact NH2-O 2.87Å; Y421-K433 PolarHBondContact OH-O 2.78Å; K433-F435 PolarHBondContact O-N 2.88Å
434	P	92.7	Very high	94.4	Very high	65 Å²	65	53.5 Å²	53.5	42%	0.422	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-58.6	140.5	-179.9	-23.4	33.5	0	0	0	112.4	R218 A253 Q256	R218-P434 PolarHBondContact NH2-O 2.76Å; A253-P434 HydrophobicContact CB-CG 4.26Å; Q256-P434 HydrophobicContact CG-CB 4.17Å; Q256-P434 PolarHBondContact OE1-O 3.27Å
435	F	96.1	Very high	94.5	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.096	27%	0.269	C	S	.	.			trans	-140.7	123.9	170.9	-158.8	-71.5	0	0	0	106.5	L211 G214 V215 I221 Y245 P257 L259 Y421 K433	L211-F435 HydrophobicContact CD1-CB 4.21Å; L211-F435 HydrophobicContact CD1-CD1 3.66Å; L211-F435 HydrophobicContact CD1-CE1 4.24Å; L211-F435 HydrophobicContact CD1-CG 3.92Å; G214-F435 VanDerWaalsContact C-CE2 3.43Å; G214-F435 WeakPolarHBondContact O-CE2 3.4Å; V215-F435 HydrophobicContact CG2-CD2 3.91Å; V215-F435 HydrophobicContact CG2-CE2 4.43Å; V215-F435 HydrophobicContact CG2-CG 4.29Å; I221-F435 HydrophobicContact CD1-CE2 3.92Å; I221-F435 HydrophobicContact CD1-CZ 3.78Å; Y245-F435 HydrophobicContact CD1-CZ 4.28Å; Y245-F435 HydrophobicContact CE1-CZ 4.48Å; P257-F435 HydrophobicContact CB-CD2 4.02Å; P257-F435 HydrophobicContact CB-CE2 3.66Å; P257-F435 HydrophobicContact CB-CZ 4.02Å; P257-F435 HydrophobicContact CG-CD2 3.54Å; P257-F435 HydrophobicContact CG-CE2 3.7Å; P257-F435 HydrophobicContact CG-CG 4.17Å; P257-F435 HydrophobicContact CG-CZ 4.45Å; L259-F435 HydrophobicContact CB-CE1 3.93Å; L259-F435 HydrophobicContact CD2-CD1 4.39Å; L259-F435 HydrophobicContact CD2-CE1 3.85Å; L259-F435 HydrophobicContact CG-CE1 4.12Å; Y421-F435 HydrophobicContact CE1-CB 4.16Å; K433-F435 PolarHBondContact O-N 2.88Å
436	V	95.8	Very high	94.6	Very high	30 Å²	30	51.9 Å²	51.9	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.9	-174.5	-174.9	0	0	0	0	109.1	V248 T250 Q256 P257 Q258 L259 R438	V248-V436 HydrophobicContact CG2-CG2 4.24Å; T250-V436 HydrophobicContact CG2-CG2 3.78Å; Q256-V436 HydrophobicContact CB-CG2 4.22Å; P257-V436 PolarHBondContact O-N 3.13Å; Q258-V436 CarbonylContact C-O 3.57Å; Q258-V436 VanDerWaalsContact CA-O 3.26Å; Q258-V436 WeakPolarHBondContact CA-O 3.22Å; Q258-V436 HydrophobicContact CB-CB 3.98Å; Q258-V436 HydrophobicContact CG-CB 4.15Å; Q258-V436 HydrophobicContact CG-CG1 4.19Å; L259-V436 PolarHBondContact N-O 2.72Å; V436-R438 HydrophobicContact CG1-CG 4.49Å
437	V	96.9	Very high	94.7	Very high	30 Å²	30	48.6 Å²	48.6	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.3	176.8	-179.1	0	0	0	0	108.9	T207 L211 L259	T207-V437 HydrophobicContact CG2-CG1 3.69Å; L211-V437 HydrophobicContact CD1-CG2 3.94Å; L211-V437 HydrophobicContact CD2-CG2 4.21Å; L259-V437 HydrophobicContact CD1-CG1 4.3Å; L259-V437 HydrophobicContact CD2-CG2 4.36Å
438	R	96.4	Very high	94.8	Very high	100 Å²	100	49.3 Å²	49.3	38%	0.377	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	91.8	169.8	-67.4	-59.8	-173	-175.7	0	109.4	L259 Q260 I261 V436	L259-R438 PolarHBondContact O-N 3.33Å; Q260-R438 WeakPolarHBondContact CA-O 3.36Å; Q260-R438 HydrophobicContact CB-CB 4.05Å; Q260-R438 HydrophobicContact CG-CB 4.04Å; I261-R438 PolarHBondContact N-O 2.87Å; V436-R438 HydrophobicContact CG1-CG 4.49Å
439	D	97.5	Very high	95.1	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.032	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	162.2	172.5	-150.9	-33.2	0	0	0	110.3	N204 T207 P475 Y476	N204-D439 PolarHBondContact ND2-OD1 3.35Å; N204-D439 PolarHBondContact ND2-OD2 2.99Å; T207-D439 WeakPolarHBondContact CB-OD2 3.26Å; T207-D439 HydrophobicContact CG2-CB 4.32Å; T207-D439 WeakPolarHBondContact CG2-OD2 3.37Å; T207-D439 PolarHBondContact OG1-OD1 3.13Å; T207-D439 PolarHBondContact OG1-OD2 2.94Å; D439-P475 CarbonylContact O-C 3.56Å; D439-P475 VanDerWaalsContact O-CA 3.26Å; D439-P475 WeakPolarHBondContact O-CA 3.47Å; D439-Y476 HydrophobicContact CB-CD1 4.2Å; D439-Y476 HydrophobicContact CB-CE1 3.67Å; D439-Y476 HydrophobicContact CB-CE2 4.14Å; D439-Y476 PolarHBondContact O-N 3.2Å; D439-Y476 PolarHBondContact OD2-OH 2.83Å
440	A	97.4	Very high	95.1	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.7	-164.8	0	0	0	0	0	114	I261 V442 M473	I261-A440 HydrophobicContact CB-CB 3.92Å; I261-A440 HydrophobicContact CG2-CB 3.92Å; A440-V442 PolarHBondContact O-N 2.99Å; A440-V442 VanDerWaalsContact O-N 3.13Å; A440-M473 HydrophobicContact CB-CE 3.55Å; A440-M473 HydrophobicContact CB-SD 4.49Å
441	V	97.9	Very high	94.8	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	20%	0.197	C	C	.	.			trans	-76.9	98.6	-177.5	175.6	0	0	0	0	110.8	Y443 F470 S471 R472 M473 G474 Y476 L545	V441-Y443 WeakPolarHBondContact CG1-O 3.49Å; V441-F470 HydrophobicContact CG1-CB 4.3Å; V441-F470 HydrophobicContact CG2-CB 4.45Å; V441-S471 WeakPolarHBondContact CB-O 3.47Å; V441-R472 CarbonylContact O-C 3.4Å; V441-R472 WeakPolarHBondContact O-CA 3.36Å; V441-M473 PolarHBondContact O-N 3.27Å; V441-G474 WeakPolarHBondContact CG2-O 3.47Å; V441-G474 PolarHBondContact N-O 3.3Å; V441-Y476 HydrophobicContact CG2-CD1 3.85Å; V441-Y476 HydrophobicContact CG2-CG 4.4Å; V441-L545 HydrophobicContact CG2-CD2 3.48Å; V441-L545 VanDerWaalsContact CG2-CD2 3.48Å
442	V	96.9	Very high	94.3	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.067	18%	0.182	C	C	.	.	S	Bend	trans	-63.1	-44.8	177.1	-179.1	0	0	0	0	112.1	V178 V264 F266 A440 F502	V178-V442 HydrophobicContact CG2-CG2 3.79Å; V264-V442 HydrophobicContact CG1-CG2 4.37Å; F266-V442 HydrophobicContact CE1-CG1 4Å; A440-V442 PolarHBondContact O-N 2.99Å; A440-V442 VanDerWaalsContact O-N 3.13Å; V442-F502 HydrophobicContact CG1-CE2 4.47Å; V442-F502 HydrophobicContact CG1-CZ 4.4Å; V442-F502 VanDerWaalsContact O-CZ 3.27Å; V442-F502 WeakPolarHBondContact O-CZ 3.49Å
443	Y	97.7	Very high	93.6	Very high	14 Å²	14	35.9 Å²	35.9	6%	0.055	18%	0.178	C	C	.	.	S	Bend	trans	-109.3	107.9	-177.6	-54.9	-61.4	0	0	0	109.1	F179 N181 F266 V441 L500 F502 L503 F511	F179-Y443 WeakPolarHBondContact O-CE2 3.48Å; F179-Y443 PolarHBondContact O-OH 3.48Å; F179-Y443 VanDerWaalsContact O-OH 3.05Å; N181-Y443 HydrophobicContact CB-CD2 4.21Å; N181-Y443 HydrophobicContact CB-CE2 4.17Å; F266-Y443 HydrophobicContact CZ-CE1 4.49Å; F266-Y443 WeakPolarHBondContact CZ-OH 3.31Å; V441-Y443 WeakPolarHBondContact CG1-O 3.49Å; Y443-L500 HydrophobicContact CD1-CD2 3.86Å; Y443-F502 AromaticContact CD1-CZ 3.8Å; Y443-F502 HydrophobicContact CD1-CZ 3.8Å; Y443-F502 HydrophobicContact CE1-CE2 4.35Å; Y443-F502 AromaticContact CE1-CZ 3.96Å; Y443-F502 HydrophobicContact CE1-CZ 3.96Å; Y443-L503 HydrophobicContact CE1-CD1 4.06Å; Y443-L503 HydrophobicContact CE1-CD2 4.3Å; Y443-F511 HydrophobicContact CD1-CD2 4.36Å; Y443-F511 AromaticContact CD1-CE2 3.58Å; Y443-F511 HydrophobicContact CD1-CE2 3.58Å; Y443-F511 HydrophobicContact CD1-CZ 4.25Å; Y443-F511 AromaticContact CD2-CE2 3.89Å; Y443-F511 HydrophobicContact CD2-CE2 3.89Å; Y443-F511 HydrophobicContact CE1-CD2 4.03Å; Y443-F511 AromaticContact CE1-CE2 3.64Å; Y443-F511 HydrophobicContact CE1-CE2 3.64Å; Y443-F511 AromaticContact CE2-CE2 3.93Å; Y443-F511 HydrophobicContact CE2-CE2 3.93Å; Y443-F511 AromaticContact CG-CE2 3.72Å; Y443-F511 HydrophobicContact CG-CE2 3.72Å; Y443-F511 HydrophobicContact CG-CZ 4.21Å; Y443-F511 AromaticContact CZ-CE2 3.82Å
444	P	97.3	Very high	92.9	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.039	17%	0.174	C	C	.	.			trans	-60.3	155.9	177.8	21.4	-29.2	0	0	0	111.3	F470 R472 Y497 G498 D499	P444-F470 CarbonylContact C-O 3.56Å; P444-F470 WeakPolarHBondContact CA-O 3.47Å; P444-F470 WeakPolarHBondContact CB-O 3.5Å; P444-R472 HydrophobicContact CB-CB 4.44Å; P444-R472 HydrophobicContact CG-CB 4.12Å; P444-Y497 CarbonylContact O-C 3.53Å; P444-Y497 VanDerWaalsContact O-CA 3.23Å; P444-Y497 WeakPolarHBondContact O-CA 3.27Å; P444-G498 PolarHBondContact O-N 3.05Å; P444-D499 HydrophobicContact CG-CB 4.44Å; P444-D499 VanDerWaalsContact CG-O 3.3Å; P444-D499 WeakPolarHBondContact CG-O 3.12Å
445	I	98.3	Very high	92.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.3	-177.5	-63.7	176	0	0	0	108.7	L469 F470 I495 Y497 L516 L545 L551	I445-L469 HydrophobicContact CG2-CD1 4.21Å; I445-L469 PolarHBondContact O-N 3.13Å; I445-F470 HydrophobicContact CB-CD2 4.13Å; I445-F470 HydrophobicContact CD1-CD2 4.44Å; I445-F470 HydrophobicContact CG2-CD2 4.42Å; I445-F470 PolarHBondContact N-O 3.29Å; I445-F470 PolarHBondContact O-N 3.3Å; I445-I495 HydrophobicContact CG2-CG2 3.71Å; I445-Y497 HydrophobicContact CG1-CD1 4.25Å; I445-L516 HydrophobicContact CD1-CD1 4.11Å; I445-L516 HydrophobicContact CG1-CD1 4.09Å; I445-L516 HydrophobicContact CG2-CD1 3.98Å; I445-L545 HydrophobicContact CD1-CD1 4.48Å; I445-L551 HydrophobicContact CD1-CB 4.31Å; I445-L551 HydrophobicContact CD1-CD2 4.39Å; I445-L551 HydrophobicContact CG2-CD2 4.06Å
446	L	97.3	Very high	91.2	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	162.7	-179.8	64.5	71.5	0	0	0	112.8	E448 K466 R467 V468 I495 N496	L446-E448 HydrophobicContact CD1-CB 4.42Å; L446-E448 HydrophobicContact CD1-CG 3.77Å; L446-K466 HydrophobicContact CD2-CB 4.47Å; L446-K466 HydrophobicContact CD2-CD 4.29Å; L446-R467 CarbonylContact C-O 3.57Å; L446-R467 VanDerWaalsContact CA-O 3.29Å; L446-R467 WeakPolarHBondContact CA-O 3.44Å; L446-R467 WeakPolarHBondContact CB-O 3.17Å; L446-V468 HydrophobicContact CB-CG2 4.43Å; L446-I495 WeakPolarHBondContact O-CA 3.2Å; L446-I495 WeakPolarHBondContact O-CG2 3.23Å; L446-N496 HydrophobicContact CD1-CB 3.91Å; L446-N496 PolarHBondContact N-O 3.28Å; L446-N496 PolarHBondContact O-N 2.76Å
447	V	97	Very high	90.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.6	169.6	-178.2	0	0	0	0	109.4	F449 K466 R467 L469 I482 F484 F493 H494 F543	V447-F449 HydrophobicContact CG1-CD1 4.14Å; V447-K466 WeakPolarHBondContact O-CA 3.34Å; V447-R467 PolarHBondContact N-O 3.21Å; V447-R467 PolarHBondContact O-N 3.04Å; V447-L469 HydrophobicContact CG2-CD1 3.7Å; V447-L469 HydrophobicContact CG2-CD2 3.94Å; V447-L469 HydrophobicContact CG2-CG 3.82Å; V447-I482 HydrophobicContact CG2-CG1 4.5Å; V447-F484 HydrophobicContact CG1-CZ 4.24Å; V447-F493 HydrophobicContact CG1-CB 4.15Å; V447-F493 HydrophobicContact CG1-CD2 3.63Å; V447-F493 HydrophobicContact CG1-CE2 4.29Å; V447-F493 HydrophobicContact CG1-CG 4.13Å; V447-H494 CarbonylContact C-O 3.5Å; V447-H494 WeakPolarHBondContact CA-O 3.34Å; V447-F543 HydrophobicContact CG2-CE1 4.28Å; V447-F543 HydrophobicContact CG2-CE2 4.11Å; V447-F543 HydrophobicContact CG2-CZ 3.75Å
448	E	95.1	Very high	89.3	Confident	27 Å²	27	48.7 Å²	48.7	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.5	178	-98.6	173.9	-139	0	0	111.5	L446 H464 N465 K466 H494 N496	L446-E448 HydrophobicContact CD1-CB 4.42Å; L446-E448 HydrophobicContact CD1-CG 3.77Å; E448-H464 IonicContact OE2-CE1 3.95Å; E448-H464 PolarHBondContact OE2-CE1 3.28Å; E448-H464 IonicContact OE2-NE2 3.99Å; E448-N465 WeakPolarHBondContact CA-O 3.45Å; E448-K466 HydrophobicContact CG-CB 4.39Å; E448-K466 HydrophobicContact CG-CD 3.95Å; E448-K466 HydrophobicContact CG-CG 3.81Å; E448-K466 WeakPolarHBondContact OE1-CD 3.27Å; E448-K466 VanDerWaalsContact OE1-CE 3.32Å; E448-K466 WeakPolarHBondContact OE1-CE 3.3Å; E448-K466 IonicContact OE1-NZ 2.7Å; E448-K466 PolarHBondContact OE1-NZ 3.08Å; E448-K466 IonicContact OE2-NZ 2.69Å; E448-H494 HydrophobicContact CB-CB 4.15Å; E448-H494 PolarHBondContact N-O 3.38Å; E448-H494 PolarHBondContact O-N 3.24Å; E448-N496 PolarHBondContact OE1-ND2 2.87Å; E448-N496 PolarHBondContact OE2-ND2 3.1Å
449	F	92.9	Very high	88.4	Confident	17 Å²	17	48.1 Å²	48.1	8%	0.075	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	145.3	-177.1	59.6	-92.9	0	0	0	113.3	V447 N465 R467 F484 Y487 F493	V447-F449 HydrophobicContact CG1-CD1 4.14Å; F449-N465 HydrophobicContact CD1-CB 4.38Å; F449-N465 HydrophobicContact CD2-CB 3.79Å; F449-N465 HydrophobicContact CE1-CB 4.1Å; F449-N465 HydrophobicContact CE2-CB 3.48Å; F449-N465 VanDerWaalsContact CE2-CB 3.48Å; F449-N465 HydrophobicContact CG-CB 4.28Å; F449-N465 HydrophobicContact CZ-CB 3.66Å; F449-N465 PolarHBondContact N-O 3.01Å; F449-N465 PolarHBondContact O-N 3.04Å; F449-N465 PolarHBondContact O-ND2 2.75Å; F449-R467 HydrophobicContact CE1-CG 4.1Å; F449-R467 HydrophobicContact CZ-CG 4.41Å; F449-F484 HydrophobicContact CB-CE1 4.22Å; F449-F484 HydrophobicContact CD1-CD1 4.44Å; F449-F484 AromaticContact CD1-CE1 3.69Å; F449-F484 HydrophobicContact CD1-CE1 3.69Å; F449-F484 HydrophobicContact CD2-CE1 4.44Å; F449-F484 HydrophobicContact CE1-CE1 4.04Å; F449-F484 HydrophobicContact CG-CD1 4.39Å; F449-F484 AromaticContact CG-CE1 3.88Å; F449-F484 HydrophobicContact CG-CE1 3.88Å; F449-Y487 HydrophobicContact CD2-CE2 4.44Å; F449-Y487 VanDerWaalsContact CD2-OH 3.26Å; F449-Y487 WeakPolarHBondContact CD2-OH 3.38Å; F449-F493 HydrophobicContact CB-CB 4.14Å
450	T	88.7	Confident	87.4	Confident	74 Å²	74	52.8 Å²	52.8	45%	0.454	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.8	178.1	48.4	0	0	0	0	110.3	Y487	T450-Y487 PolarHBondContact O-OH 3.32Å
451	R	83.1	Confident	86.8	Confident	24 Å²	24	54.2 Å²	54.2	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.4	175.8	-177.6	178.2	78.6	77.5	-17.3	109.5	K463	R451-K463 PolarHBondContact N-O 3.2Å; R451-K463 PolarHBondContact O-N 3.27Å
452	E	80.1	Confident	86.1	Confident	125 Å²	125	59.5 Å²	59.5	58%	0.584	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.7	168.6	-164.2	159.1	-137.7	0	0	110.4	H460 S461 L462	E452-H460 HydrophobicContact CG-CB 4.02Å; E452-S461 CarbonylContact C-O 2.95Å; E452-S461 WeakPolarHBondContact CA-O 3.49Å; E452-L462 HydrophobicContact CB-CD2 4.25Å; E452-L462 HydrophobicContact CG-CD2 4.47Å
453	V	79.1	Confident	85.6	Confident	25 Å²	25	63.6 Å²	63.6	15%	0.152	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.3	-178.7	-161.7	0	0	0	0	107.6	H460 S461 K463	V453-H460 CarbonylContact O-C 3.51Å; V453-H460 VanDerWaalsContact O-CA 3.28Å; V453-H460 WeakPolarHBondContact O-CA 3.37Å; V453-S461 PolarHBondContact N-O 3.17Å; V453-S461 PolarHBondContact O-N 3.28Å; V453-K463 HydrophobicContact CG2-CB 3.45Å; V453-K463 VanDerWaalsContact CG2-CB 3.45Å; V453-K463 HydrophobicContact CG2-CD 4.2Å; V453-K463 HydrophobicContact CG2-CG 4.47Å
454	E	77.5	Confident	85.2	Confident	116 Å²	116	67.4 Å²	67.4	54%	0.542	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.5	164.4	-168.5	165.1	-162.2	0	0	107.7	E456 P457 G458 I459 H460	E454-E456 VanDerWaalsContact CG-O 3.25Å; E454-E456 WeakPolarHBondContact CG-O 3.35Å; E454-P457 WeakPolarHBondContact OE1-CA 3.38Å; E454-G458 PolarHBondContact OE1-N 3.37Å; E454-I459 WeakPolarHBondContact CA-O 3.48Å; E454-H460 IonicContact OE1-CE1 3.09Å; E454-H460 IonicContact OE2-CE1 2.71Å
455	E	76.3	Confident	84.9	Confident	133 Å²	133	68.5 Å²	68.5	62%	0.621	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	-41.2	-178.8	-68.3	177.8	179.8	0	0	110.7	I459 S461	E455-I459 PolarHBondContact N-O 2.76Å; E455-S461 WeakPolarHBondContact OE1-CB 3.41Å; E455-S461 PolarHBondContact OE1-OG 3.19Å
456	E	76.9	Confident	84.7	Confident	128 Å²	128	74.1 Å²	74.1	60%	0.598	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.2	167.4	-64.7	-173.1	172.9	0	0	108.5	E454 G458 I459	E454-E456 VanDerWaalsContact CG-O 3.25Å; E454-E456 WeakPolarHBondContact CG-O 3.35Å; E456-G458 PolarHBondContact O-N 3.48Å; E456-I459 HydrophobicContact CB-CB 4.24Å; E456-I459 HydrophobicContact CB-CD1 4.15Å; E456-I459 HydrophobicContact CB-CG1 4.28Å; E456-I459 PolarHBondContact O-N 3.49Å
457	P	75.3	Confident	84.5	Confident	130 Å²	130	78 Å²	78	84%	0.844	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	111.7	-178.2	-29	37	0	0	0	113.8	E454	E454-P457 WeakPolarHBondContact OE1-CA 3.38Å
458	G	75.8	Confident	84.5	Confident	56 Å²	56	81.8 Å²	81.8	58%	0.577	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	4.6	-175.8	0	0	0	0	0	116.2	E454 E456	E454-G458 PolarHBondContact OE1-N 3.37Å; E456-G458 PolarHBondContact O-N 3.48Å
459	I	77.6	Confident	84.5	Confident	88 Å²	88	80.8 Å²	80.8	45%	0.451	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	105.4	170.8	-58.6	-171.4	0	0	0	108.8	E454 E455 E456	E454-I459 WeakPolarHBondContact CA-O 3.48Å; E455-I459 PolarHBondContact N-O 2.76Å; E456-I459 HydrophobicContact CB-CB 4.24Å; E456-I459 HydrophobicContact CB-CD1 4.15Å; E456-I459 HydrophobicContact CB-CG1 4.28Å; E456-I459 PolarHBondContact O-N 3.49Å
460	H	78.1	Confident	84.7	Confident	105 Å²	105	80 Å²	80	49%	0.486	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.6	-179.9	-54.7	-60.4	0	0	0	112.1	E452 V453 E454	E452-H460 HydrophobicContact CG-CB 4.02Å; V453-H460 CarbonylContact O-C 3.51Å; V453-H460 VanDerWaalsContact O-CA 3.28Å; V453-H460 WeakPolarHBondContact O-CA 3.37Å; E454-H460 IonicContact OE1-CE1 3.09Å; E454-H460 IonicContact OE2-CE1 2.71Å
461	S	83.8	Confident	85.1	Confident	32 Å²	32	79.5 Å²	79.5	22%	0.224	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	160.5	174.6	86.3	0	0	0	0	111.8	E452 V453 E455	E452-S461 CarbonylContact C-O 2.95Å; E452-S461 WeakPolarHBondContact CA-O 3.49Å; V453-S461 PolarHBondContact N-O 3.17Å; V453-S461 PolarHBondContact O-N 3.28Å; E455-S461 WeakPolarHBondContact OE1-CB 3.41Å; E455-S461 PolarHBondContact OE1-OG 3.19Å
462	L	83.8	Confident	85.7	Confident	122 Å²	122	81.9 Å²	81.9	64%	0.639	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	92.3	-179.9	-69.2	175.8	0	0	0	111.1	E452 H464	E452-L462 HydrophobicContact CB-CD2 4.25Å; E452-L462 HydrophobicContact CG-CD2 4.47Å; L462-H464 PolarHBondContact O-N 2.94Å
463	K	86.3	Confident	86.5	Confident	97 Å²	97	77.3 Å²	77.3	42%	0.422	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	115	174.5	-171.8	169.3	-176.7	174.8	0	109.3	R451 V453 N465 E603	R451-K463 PolarHBondContact N-O 3.2Å; R451-K463 PolarHBondContact O-N 3.27Å; V453-K463 HydrophobicContact CG2-CB 3.45Å; V453-K463 VanDerWaalsContact CG2-CB 3.45Å; V453-K463 HydrophobicContact CG2-CD 4.2Å; V453-K463 HydrophobicContact CG2-CG 4.47Å; K463-N465 PolarHBondContact O-ND2 3.36Å; K463-E603 IonicContact NZ-OE1 3.72Å; K463-E603 PolarHBondContact NZ-OE1 2.89Å
464	H	88.8	Confident	87.4	Confident	94 Å²	94	76.4 Å²	76.4	44%	0.435	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.8	170.5	178.8	93.3	0	0	0	109.6	E448 L462 K466	E448-H464 IonicContact OE2-CE1 3.95Å; E448-H464 PolarHBondContact OE2-CE1 3.28Å; E448-H464 IonicContact OE2-NE2 3.99Å; L462-H464 PolarHBondContact O-N 2.94Å; H464-K466 VanDerWaalsContact NE2-CE 3.32Å; H464-K466 WeakPolarHBondContact NE2-CE 3.3Å
465	N	90.9	Very high	88.2	Confident	28 Å²	28	73.4 Å²	73.4	15%	0.15	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.7	-175.6	-56.8	-96.8	0	0	0	110	E448 F449 K463	E448-N465 WeakPolarHBondContact CA-O 3.45Å; F449-N465 HydrophobicContact CD1-CB 4.38Å; F449-N465 HydrophobicContact CD2-CB 3.79Å; F449-N465 HydrophobicContact CE1-CB 4.1Å; F449-N465 HydrophobicContact CE2-CB 3.48Å; F449-N465 VanDerWaalsContact CE2-CB 3.48Å; F449-N465 HydrophobicContact CG-CB 4.28Å; F449-N465 HydrophobicContact CZ-CB 3.66Å; F449-N465 PolarHBondContact N-O 3.01Å; F449-N465 PolarHBondContact O-N 3.04Å; F449-N465 PolarHBondContact O-ND2 2.75Å; K463-N465 PolarHBondContact O-ND2 3.36Å
466	K	94.1	Very high	89.2	Confident	120 Å²	120	67.5 Å²	67.5	52%	0.522	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.2	170.6	-47	-153.5	178.6	-149.9	0	109.4	L446 V447 E448 H464	L446-K466 HydrophobicContact CD2-CB 4.47Å; L446-K466 HydrophobicContact CD2-CD 4.29Å; V447-K466 WeakPolarHBondContact O-CA 3.34Å; E448-K466 HydrophobicContact CG-CB 4.39Å; E448-K466 HydrophobicContact CG-CD 3.95Å; E448-K466 HydrophobicContact CG-CG 3.81Å; E448-K466 WeakPolarHBondContact OE1-CD 3.27Å; E448-K466 VanDerWaalsContact OE1-CE 3.32Å; E448-K466 WeakPolarHBondContact OE1-CE 3.3Å; E448-K466 IonicContact OE1-NZ 2.7Å; E448-K466 PolarHBondContact OE1-NZ 3.08Å; E448-K466 IonicContact OE2-NZ 2.69Å; H464-K466 VanDerWaalsContact NE2-CE 3.32Å; H464-K466 WeakPolarHBondContact NE2-CE 3.3Å
467	R	94.6	Very high	90.1	Very high	97 Å²	97	63.7 Å²	63.7	37%	0.366	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.5	172.6	-70.1	-68	179.1	161.4	-4.5	109.8	L446 V447 F449 L469 I482	L446-R467 CarbonylContact C-O 3.57Å; L446-R467 VanDerWaalsContact CA-O 3.29Å; L446-R467 WeakPolarHBondContact CA-O 3.44Å; L446-R467 WeakPolarHBondContact CB-O 3.17Å; V447-R467 PolarHBondContact N-O 3.21Å; V447-R467 PolarHBondContact O-N 3.04Å; F449-R467 HydrophobicContact CE1-CG 4.1Å; F449-R467 HydrophobicContact CZ-CG 4.41Å; R467-L469 PolarHBondContact O-N 3.15Å; R467-I482 HydrophobicContact CB-CD1 4.25Å
468	V	95.9	Very high	91.1	Very high	80 Å²	80	60.1 Å²	60.1	49%	0.485	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.9	177.3	179.8	0	0	0	0	109.2	L446	L446-V468 HydrophobicContact CB-CG2 4.43Å
469	L	96	Very high	92.1	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-53.2	170.1	-64.4	178	0	0	0	110.1	I445 V447 R467 K480 I482 F543	I445-L469 HydrophobicContact CG2-CD1 4.21Å; I445-L469 PolarHBondContact O-N 3.13Å; V447-L469 HydrophobicContact CG2-CD1 3.7Å; V447-L469 HydrophobicContact CG2-CD2 3.94Å; V447-L469 HydrophobicContact CG2-CG 3.82Å; R467-L469 PolarHBondContact O-N 3.15Å; L469-K480 HydrophobicContact CD2-CB 4.23Å; L469-K480 WeakPolarHBondContact O-CG 3.43Å; L469-I482 HydrophobicContact CD2-CD1 3.89Å; L469-I482 HydrophobicContact CD2-CG1 3.54Å; L469-F543 HydrophobicContact CD1-CB 4.01Å; L469-F543 HydrophobicContact CD1-CD1 3.72Å; L469-F543 HydrophobicContact CD1-CD2 3.87Å; L469-F543 HydrophobicContact CD1-CE1 4.13Å; L469-F543 HydrophobicContact CD1-CE2 4.27Å; L469-F543 HydrophobicContact CD1-CG 3.57Å; L469-F543 HydrophobicContact CD1-CZ 4.39Å; L469-F543 HydrophobicContact CD2-CD2 3.59Å; L469-F543 HydrophobicContact CD2-CE2 3.94Å; L469-F543 HydrophobicContact CD2-CG 4.12Å; L469-F543 HydrophobicContact CG-CD2 4.42Å
470	F	97.3	Very high	93.1	Very high	1 Å²	1	64.8 Å²	64.8	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.2	-172.3	-52.3	-64.8	0	0	0	107.9	V441 P444 I445 Q478 K480 F543 L545 L551	V441-F470 HydrophobicContact CG1-CB 4.3Å; V441-F470 HydrophobicContact CG2-CB 4.45Å; P444-F470 CarbonylContact C-O 3.56Å; P444-F470 WeakPolarHBondContact CA-O 3.47Å; P444-F470 WeakPolarHBondContact CB-O 3.5Å; I445-F470 HydrophobicContact CB-CD2 4.13Å; I445-F470 HydrophobicContact CD1-CD2 4.44Å; I445-F470 HydrophobicContact CG2-CD2 4.42Å; I445-F470 PolarHBondContact N-O 3.29Å; I445-F470 PolarHBondContact O-N 3.3Å; F470-Q478 HydrophobicContact CD1-CB 3.89Å; F470-Q478 HydrophobicContact CE1-CB 3.54Å; F470-K480 HydrophobicContact CD1-CG 4.43Å; F470-K480 HydrophobicContact CE1-CB 4.16Å; F470-K480 HydrophobicContact CE1-CG 3.84Å; F470-K480 HydrophobicContact CZ-CB 4.18Å; F470-K480 HydrophobicContact CZ-CG 4.34Å; F470-F543 HydrophobicContact CE2-CB 4.38Å; F470-F543 HydrophobicContact CZ-CB 4.27Å; F470-L545 HydrophobicContact CB-CD2 4.28Å; F470-L545 HydrophobicContact CD1-CB 4.31Å; F470-L545 HydrophobicContact CD1-CD2 4.22Å; F470-L545 HydrophobicContact CD2-CB 4.2Å; F470-L545 HydrophobicContact CD2-CD2 4.19Å; F470-L545 HydrophobicContact CE1-CB 3.99Å; F470-L545 HydrophobicContact CE2-CB 3.88Å; F470-L545 HydrophobicContact CG-CB 4.42Å; F470-L545 HydrophobicContact CG-CD2 3.95Å; F470-L545 HydrophobicContact CZ-CB 3.77Å; F470-L551 HydrophobicContact CD2-CD1 4.3Å; F470-L551 HydrophobicContact CE2-CD1 3.62Å
471	S	96.3	Very high	93.9	Very high	63 Å²	63	62 Å²	62	44%	0.441	30%	0.303	S	S	.	.			trans	-79	159.8	-177.5	53.1	0	0	0	0	112.3	V441 G474	V441-S471 WeakPolarHBondContact CB-O 3.47Å; S471-G474 PolarHBondContact O-N 2.72Å; S471-G474 VanDerWaalsContact O-N 3.08Å
472	R	96.3	Very high	94.5	Very high	74 Å²	74	61 Å²	61	28%	0.279	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	137.2	173.3	-170	174.7	175.6	-135.3	-4.2	109.4	V441 P444 G474	V441-R472 CarbonylContact O-C 3.4Å; V441-R472 WeakPolarHBondContact O-CA 3.36Å; P444-R472 HydrophobicContact CB-CB 4.44Å; P444-R472 HydrophobicContact CG-CB 4.12Å; R472-G474 PolarHBondContact O-N 2.72Å
473	M	96.7	Very high	95	Very high	30 Å²	30	56.5 Å²	56.5	15%	0.148	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	10.1	-171.1	-52.8	-43.7	-67.7	0	0	115.9	I261 R262 V264 S369 A440 V441	I261-M473 HydrophobicContact CG2-CE 4.25Å; R262-M473 WeakPolarHBondContact O-CE 3.17Å; V264-M473 HydrophobicContact CB-CE 4.39Å; V264-M473 HydrophobicContact CG2-CE 4.04Å; S369-M473 WeakPolarHBondContact O-CG 3.48Å; A440-M473 HydrophobicContact CB-CE 3.55Å; A440-M473 HydrophobicContact CB-SD 4.49Å; V441-M473 PolarHBondContact O-N 3.27Å
474	G	96.6	Very high	95.3	Very high	6 Å²	6	52 Å²	52	6%	0.062	25%	0.253	C	S	.	.			trans	-61.8	137.8	170.2	0	0	0	0	0	110.8	V441 S471 R472	V441-G474 WeakPolarHBondContact CG2-O 3.47Å; V441-G474 PolarHBondContact N-O 3.3Å; S471-G474 PolarHBondContact O-N 2.72Å; S471-G474 VanDerWaalsContact O-N 3.08Å; R472-G474 PolarHBondContact O-N 2.72Å
475	P	96.1	Very high	95.1	Very high	53 Å²	53	51.7 Å²	51.7	34%	0.344	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.4	-176.7	29.9	-35	0	0	0	111.3	D439 Q478	D439-P475 CarbonylContact O-C 3.56Å; D439-P475 VanDerWaalsContact O-CA 3.26Å; D439-P475 WeakPolarHBondContact O-CA 3.47Å; P475-Q478 VanDerWaalsContact O-CG 3.22Å; P475-Q478 WeakPolarHBondContact O-CG 3.32Å; P475-Q478 PolarHBondContact O-NE2 2.92Å
476	Y	95.9	Very high	94.6	Very high	9 Å²	9	58 Å²	58	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	164.5	175.7	75.3	-97	0	0	0	112.1	N204 D439 V441 L545 D546 G549	N204-Y476 PolarHBondContact ND2-OH 3.32Å; D439-Y476 HydrophobicContact CB-CD1 4.2Å; D439-Y476 HydrophobicContact CB-CE1 3.67Å; D439-Y476 HydrophobicContact CB-CE2 4.14Å; D439-Y476 PolarHBondContact O-N 3.2Å; D439-Y476 PolarHBondContact OD2-OH 2.83Å; V441-Y476 HydrophobicContact CG2-CD1 3.85Å; V441-Y476 HydrophobicContact CG2-CG 4.4Å; Y476-L545 HydrophobicContact CG-CD2 4.4Å; Y476-D546 WeakPolarHBondContact CD2-O 3.3Å; Y476-G549 VanDerWaalsContact CE2-CA 3.48Å; Y476-G549 VanDerWaalsContact CE2-N 3.32Å
477	P	96.1	Very high	94.1	Very high	47 Å²	47	53.7 Å²	53.7	31%	0.305	26%	0.257	S	S	.	.	S	Bend	cis	-64.7	156.6	-0.1	29.6	-38.5	0	0	0	114.1	L545 E547	P477-L545 CarbonylContact C-O 3.48Å; P477-L545 VanDerWaalsContact CA-O 3.25Å; P477-L545 WeakPolarHBondContact CA-O 3.13Å; P477-L545 WeakPolarHBondContact CB-O 3.42Å; P477-E547 HydrophobicContact CB-CG 4.45Å; P477-E547 HydrophobicContact CG-CG 4.09Å
478	Q	96.4	Very high	93.7	Very high	55 Å²	55	51.8 Å²	51.8	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.6	174.4	-73.5	-167.7	21.9	0	0	112.7	F470 P475 L545	F470-Q478 HydrophobicContact CD1-CB 3.89Å; F470-Q478 HydrophobicContact CE1-CB 3.54Å; P475-Q478 VanDerWaalsContact O-CG 3.22Å; P475-Q478 WeakPolarHBondContact O-CG 3.32Å; P475-Q478 PolarHBondContact O-NE2 2.92Å; Q478-L545 PolarHBondContact N-O 3.14Å; Q478-L545 PolarHBondContact O-N 3.18Å
479	R	97.2	Very high	93.4	Very high	193 Å²	193	54.3 Å²	54.3	73%	0.728	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.1	164.7	-70.4	-179.2	-179.4	164.8	3.4	110.1	F543 N544	R479-F543 VanDerWaalsContact CA-O 3.32Å; R479-F543 WeakPolarHBondContact CA-O 3.33Å; R479-N544 HydrophobicContact CG-CB 4.07Å; R479-N544 VanDerWaalsContact CG-OD1 3.23Å; R479-N544 WeakPolarHBondContact CG-OD1 3.34Å; R479-N544 PolarHBondContact NE-OD1 2.85Å
480	K	97.1	Very high	93.2	Very high	50 Å²	50	58 Å²	58	22%	0.217	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.9	178.6	-85.7	-72.7	-162.4	173.2	0	109.9	L469 F470 F543 D599	L469-K480 HydrophobicContact CD2-CB 4.23Å; L469-K480 WeakPolarHBondContact O-CG 3.43Å; F470-K480 HydrophobicContact CD1-CG 4.43Å; F470-K480 HydrophobicContact CE1-CB 4.16Å; F470-K480 HydrophobicContact CE1-CG 3.84Å; F470-K480 HydrophobicContact CZ-CB 4.18Å; F470-K480 HydrophobicContact CZ-CG 4.34Å; K480-F543 PolarHBondContact N-O 3.02Å; K480-F543 PolarHBondContact O-N 2.95Å; K480-D599 IonicContact NZ-OD2 3.36Å; K480-D599 PolarHBondContact NZ-OD2 2.66Å
481	V	96.6	Very high	93	Very high	45 Å²	45	58.7 Å²	58.7	27%	0.273	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.3	175.4	-174.8	0	0	0	0	108.6	K540 A541 H542	V481-K540 HydrophobicContact CG1-CB 3.94Å; V481-K540 HydrophobicContact CG1-CG 4.32Å; V481-A541 WeakPolarHBondContact CA-O 3.23Å; V481-H542 WeakPolarHBondContact CG2-CE1 3.35Å; V481-H542 WeakPolarHBondContact CG2-ND1 3.24Å
482	I	95.2	Very high	92.9	Very high	12 Å²	12	59.6 Å²	59.6	6%	0.062	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.6	169.2	-62.2	-63.5	0	0	0	108.1	V447 R467 L469 F484 K540 A541 F543	V447-I482 HydrophobicContact CG2-CG1 4.5Å; R467-I482 HydrophobicContact CB-CD1 4.25Å; L469-I482 HydrophobicContact CD2-CD1 3.89Å; L469-I482 HydrophobicContact CD2-CG1 3.54Å; I482-F484 HydrophobicContact CG2-CD1 4.42Å; I482-F484 HydrophobicContact CG2-CD2 4.42Å; I482-F484 HydrophobicContact CG2-CE1 4.03Å; I482-F484 HydrophobicContact CG2-CE2 4.03Å; I482-F484 HydrophobicContact CG2-CZ 3.83Å; I482-K540 WeakPolarHBondContact O-CA 3.38Å; I482-A541 PolarHBondContact N-O 3.32Å; I482-A541 PolarHBondContact O-N 3.06Å; I482-F543 HydrophobicContact CB-CE2 4.08Å; I482-F543 HydrophobicContact CG1-CD2 4.35Å; I482-F543 HydrophobicContact CG1-CE2 3.85Å
483	T	94.5	Very high	92.9	Very high	27 Å²	27	56.1 Å²	56.1	17%	0.166	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.9	176	-43.2	0	0	0	0	110.7	N485 K537 I539 K540	T483-N485 WeakPolarHBondContact CG2-OD1 3.48Å; T483-N485 PolarHBondContact O-N 2.91Å; T483-K537 VanDerWaalsContact CG2-O 3.3Å; T483-K537 WeakPolarHBondContact CG2-O 3.33Å; T483-I539 CarbonylContact C-O 3.23Å; T483-I539 WeakPolarHBondContact CA-O 3.27Å; T483-K540 HydrophobicContact CG2-CD 4.44Å; T483-K540 HydrophobicContact CG2-CG 3.68Å
484	F	92.8	Very high	92.9	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	84.1	-178.4	-63	-79.8	0	0	0	109.9	V447 F449 I482 R486 Y487 F491 F493 I539 A541	V447-F484 HydrophobicContact CG1-CZ 4.24Å; F449-F484 HydrophobicContact CB-CE1 4.22Å; F449-F484 HydrophobicContact CD1-CD1 4.44Å; F449-F484 AromaticContact CD1-CE1 3.69Å; F449-F484 HydrophobicContact CD1-CE1 3.69Å; F449-F484 HydrophobicContact CD2-CE1 4.44Å; F449-F484 HydrophobicContact CE1-CE1 4.04Å; F449-F484 HydrophobicContact CG-CD1 4.39Å; F449-F484 AromaticContact CG-CE1 3.88Å; F449-F484 HydrophobicContact CG-CE1 3.88Å; I482-F484 HydrophobicContact CG2-CD1 4.42Å; I482-F484 HydrophobicContact CG2-CD2 4.42Å; I482-F484 HydrophobicContact CG2-CE1 4.03Å; I482-F484 HydrophobicContact CG2-CE2 4.03Å; I482-F484 HydrophobicContact CG2-CZ 3.83Å; F484-R486 PolarHBondContact O-N 3.2Å; F484-Y487 HydrophobicContact CB-CD2 3.71Å; F484-Y487 HydrophobicContact CB-CE2 4.12Å; F484-Y487 HydrophobicContact CD1-CD2 4.41Å; F484-Y487 AromaticContact CD1-CE2 3.99Å; F484-Y487 HydrophobicContact CD1-CE2 3.99Å; F484-Y487 HydrophobicContact CG-CD2 4.49Å; F484-F491 HydrophobicContact CB-CE2 4.42Å; F484-F491 HydrophobicContact CB-CZ 3.77Å; F484-F491 AromaticContact CD1-CE2 3.85Å; F484-F491 HydrophobicContact CD1-CE2 3.85Å; F484-F491 HydrophobicContact CD1-CZ 4.03Å; F484-F491 HydrophobicContact CD2-CE2 4.23Å; F484-F491 AromaticContact CD2-CZ 3.79Å; F484-F491 HydrophobicContact CD2-CZ 3.79Å; F484-F491 HydrophobicContact CE1-CE2 4.07Å; F484-F491 HydrophobicContact CE2-CE2 4.42Å; F484-F491 HydrophobicContact CE2-CZ 4.33Å; F484-F491 AromaticContact CG-CE2 3.93Å; F484-F491 HydrophobicContact CG-CE2 3.93Å; F484-F491 AromaticContact CG-CZ 3.61Å; F484-F491 HydrophobicContact CG-CZ 3.61Å; F484-F491 HydrophobicContact CZ-CE2 4.35Å; F484-F493 HydrophobicContact CE1-CB 4.5Å; F484-F493 AromaticContact CE2-CD1 3.98Å; F484-F493 HydrophobicContact CE2-CD1 3.98Å; F484-F493 AromaticContact CE2-CE1 3.94Å; F484-F493 HydrophobicContact CE2-CE1 3.94Å; F484-F493 HydrophobicContact CZ-CB 4.27Å; F484-F493 AromaticContact CZ-CD1 3.68Å; F484-F493 HydrophobicContact CZ-CD1 3.68Å; F484-F493 HydrophobicContact CZ-CD2 4.49Å; F484-F493 HydrophobicContact CZ-CE1 4.04Å; F484-F493 AromaticContact CZ-CG 3.92Å; F484-F493 HydrophobicContact CZ-CG 3.92Å; F484-I539 HydrophobicContact CB-CB 4.31Å; F484-I539 WeakPolarHBondContact CD2-O 3.27Å; F484-I539 PolarHBondContact N-O 3.29Å; F484-I539 PolarHBondContact O-N 3.08Å; F484-A541 HydrophobicContact CE2-CB 3.86Å
485	N	84.1	Confident	92.9	Very high	88 Å²	88	58 Å²	58	47%	0.471	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.7	-168.1	-71.9	1.8	0	0	0	116.7	T483	T483-N485 WeakPolarHBondContact CG2-OD1 3.48Å; T483-N485 PolarHBondContact O-N 2.91Å
486	R	80.9	Confident	93	Very high	159 Å²	159	56.3 Å²	56.3	60%	0.6	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	36.4	-177	-55.4	-163.7	-162.9	179.8	9	113.3	F484	F484-R486 PolarHBondContact O-N 3.2Å
487	Y	84.6	Confident	93	Very high	30 Å²	30	56.5 Å²	56.5	12%	0.118	27%	0.27	C	S	.	.			trans	-122.4	115.8	175.7	-66.2	-97.3	0	0	0	110.3	F449 T450 F484 F491 F528 I539	F449-Y487 HydrophobicContact CD2-CE2 4.44Å; F449-Y487 VanDerWaalsContact CD2-OH 3.26Å; F449-Y487 WeakPolarHBondContact CD2-OH 3.38Å; T450-Y487 PolarHBondContact O-OH 3.32Å; F484-Y487 HydrophobicContact CB-CD2 3.71Å; F484-Y487 HydrophobicContact CB-CE2 4.12Å; F484-Y487 HydrophobicContact CD1-CD2 4.41Å; F484-Y487 AromaticContact CD1-CE2 3.99Å; F484-Y487 HydrophobicContact CD1-CE2 3.99Å; F484-Y487 HydrophobicContact CG-CD2 4.49Å; Y487-F491 HydrophobicContact CD1-CB 3.66Å; Y487-F491 AromaticContact CD1-CD1 3.6Å; Y487-F491 HydrophobicContact CD1-CD1 3.6Å; Y487-F491 AromaticContact CD1-CD2 3.67Å; Y487-F491 HydrophobicContact CD1-CD2 3.67Å; Y487-F491 HydrophobicContact CD1-CE1 4.05Å; Y487-F491 HydrophobicContact CD1-CE2 4.13Å; Y487-F491 AromaticContact CD1-CG 3.37Å; Y487-F491 HydrophobicContact CD1-CG 3.37Å; Y487-F491 HydrophobicContact CD1-CZ 4.3Å; Y487-F491 HydrophobicContact CD2-CE1 4.42Å; Y487-F491 HydrophobicContact CD2-CE2 4.34Å; Y487-F491 HydrophobicContact CD2-CZ 4.21Å; Y487-F491 HydrophobicContact CE1-CB 3.91Å; Y487-F491 HydrophobicContact CE1-CD1 4.37Å; Y487-F491 AromaticContact CE1-CD2 3.59Å; Y487-F491 HydrophobicContact CE1-CD2 3.59Å; Y487-F491 HydrophobicContact CE1-CE2 4.13Å; Y487-F491 AromaticContact CE1-CG 3.73Å; Y487-F491 HydrophobicContact CE1-CG 3.73Å; Y487-F491 HydrophobicContact CE2-CE2 4.33Å; Y487-F491 AromaticContact CG-CD1 3.8Å; Y487-F491 HydrophobicContact CG-CD1 3.8Å; Y487-F491 HydrophobicContact CG-CD2 4.2Å; Y487-F491 AromaticContact CG-CE1 3.79Å; Y487-F491 HydrophobicContact CG-CE1 3.79Å; Y487-F491 HydrophobicContact CG-CE2 4.21Å; Y487-F491 HydrophobicContact CG-CG 4Å; Y487-F491 HydrophobicContact CG-CZ 4.01Å; Y487-F528 WeakPolarHBondContact O-CE2 3.23Å; Y487-I539 WeakPolarHBondContact O-CD1 3.43Å
488	S	85.3	Confident	92.9	Very high	57 Å²	57	54.6 Å²	54.6	40%	0.399	26%	0.259	S	S	.	.			trans	-107.6	0.8	176.1	53.8	0	0	0	0	113.2	G525	S488-G525 VanDerWaalsContact O-CA 3.23Å; S488-G525 WeakPolarHBondContact O-CA 3.33Å
489	H	89.4	Confident	92.5	Very high	133 Å²	133	57.3 Å²	57.3	62%	0.616	28%	0.275	S	S	*	.	S	Bend	trans	-136.5	166.1	-172.6	-71.9	80.9	0	0	0	110.8	F491	H489-F491 WeakPolarHBondContact O-CD1 3.48Å; H489-F491 PolarHBondContact O-N 3.24Å
490	D	92.9	Very high	92.4	Very high	82 Å²	82	48.7 Å²	48.7	44%	0.439	24%	0.244	S	C	.	.			trans	-61.2	127.3	179.4	-73.5	6.6	0	0	0	111.1	K522 G523 V524	D490-K522 VanDerWaalsContact OD2-CA 3.27Å; D490-K522 WeakPolarHBondContact OD2-CA 3.18Å; D490-G523 PolarHBondContact OD1-N 2.96Å; D490-G523 PolarHBondContact OD2-N 2.83Å; D490-V524 PolarHBondContact OD1-N 3.37Å
491	F	92.9	Very high	92.2	Very high	16 Å²	16	49.4 Å²	49.4	7%	0.07	27%	0.265	C	S	.	.			trans	-141.1	165.8	-174.4	74.2	-83	0	0	0	112.8	F484 Y487 H489 F493 L521 V524 I539	F484-F491 HydrophobicContact CB-CE2 4.42Å; F484-F491 HydrophobicContact CB-CZ 3.77Å; F484-F491 AromaticContact CD1-CE2 3.85Å; F484-F491 HydrophobicContact CD1-CE2 3.85Å; F484-F491 HydrophobicContact CD1-CZ 4.03Å; F484-F491 HydrophobicContact CD2-CE2 4.23Å; F484-F491 AromaticContact CD2-CZ 3.79Å; F484-F491 HydrophobicContact CD2-CZ 3.79Å; F484-F491 HydrophobicContact CE1-CE2 4.07Å; F484-F491 HydrophobicContact CE2-CE2 4.42Å; F484-F491 HydrophobicContact CE2-CZ 4.33Å; F484-F491 AromaticContact CG-CE2 3.93Å; F484-F491 HydrophobicContact CG-CE2 3.93Å; F484-F491 AromaticContact CG-CZ 3.61Å; F484-F491 HydrophobicContact CG-CZ 3.61Å; F484-F491 HydrophobicContact CZ-CE2 4.35Å; Y487-F491 HydrophobicContact CD1-CB 3.66Å; Y487-F491 AromaticContact CD1-CD1 3.6Å; Y487-F491 HydrophobicContact CD1-CD1 3.6Å; Y487-F491 AromaticContact CD1-CD2 3.67Å; Y487-F491 HydrophobicContact CD1-CD2 3.67Å; Y487-F491 HydrophobicContact CD1-CE1 4.05Å; Y487-F491 HydrophobicContact CD1-CE2 4.13Å; Y487-F491 AromaticContact CD1-CG 3.37Å; Y487-F491 HydrophobicContact CD1-CG 3.37Å; Y487-F491 HydrophobicContact CD1-CZ 4.3Å; Y487-F491 HydrophobicContact CD2-CE1 4.42Å; Y487-F491 HydrophobicContact CD2-CE2 4.34Å; Y487-F491 HydrophobicContact CD2-CZ 4.21Å; Y487-F491 HydrophobicContact CE1-CB 3.91Å; Y487-F491 HydrophobicContact CE1-CD1 4.37Å; Y487-F491 AromaticContact CE1-CD2 3.59Å; Y487-F491 HydrophobicContact CE1-CD2 3.59Å; Y487-F491 HydrophobicContact CE1-CE2 4.13Å; Y487-F491 AromaticContact CE1-CG 3.73Å; Y487-F491 HydrophobicContact CE1-CG 3.73Å; Y487-F491 HydrophobicContact CE2-CE2 4.33Å; Y487-F491 AromaticContact CG-CD1 3.8Å; Y487-F491 HydrophobicContact CG-CD1 3.8Å; Y487-F491 HydrophobicContact CG-CD2 4.2Å; Y487-F491 AromaticContact CG-CE1 3.79Å; Y487-F491 HydrophobicContact CG-CE1 3.79Å; Y487-F491 HydrophobicContact CG-CE2 4.21Å; Y487-F491 HydrophobicContact CG-CG 4Å; Y487-F491 HydrophobicContact CG-CZ 4.01Å; H489-F491 WeakPolarHBondContact O-CD1 3.48Å; H489-F491 PolarHBondContact O-N 3.24Å; F491-F493 HydrophobicContact CE2-CD1 4.13Å; F491-L521 HydrophobicContact CD1-CD1 4.18Å; F491-L521 HydrophobicContact CE1-CD1 3.6Å; F491-L521 HydrophobicContact CE2-CD1 4.07Å; F491-L521 HydrophobicContact CZ-CD1 3.53Å; F491-L521 WeakPolarHBondContact O-CB 3.44Å; F491-L521 PolarHBondContact O-N 2.95Å; F491-V524 HydrophobicContact CD1-CG2 4.42Å; F491-V524 HydrophobicContact CE1-CG2 4.47Å; F491-I539 HydrophobicContact CE1-CD1 4.41Å; F491-I539 HydrophobicContact CE1-CG1 4.4Å
492	N	94	Very high	92	Very high	83 Å²	83	49.5 Å²	49.5	44%	0.444	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.7	177	-48.6	-63	0	0	0	110.2	V519 K520	N492-V519 CarbonylContact C-O 3.32Å; N492-V519 VanDerWaalsContact CA-O 3.24Å; N492-V519 WeakPolarHBondContact CA-O 3.41Å; N492-K520 WeakPolarHBondContact OD1-CA 3.45Å; N492-K520 VanDerWaalsContact OD1-CB 3.24Å; N492-K520 WeakPolarHBondContact OD1-CB 3.36Å; N492-K520 VanDerWaalsContact OD1-CG 3.23Å; N492-K520 WeakPolarHBondContact OD1-CG 3.45Å
493	F	95.2	Very high	91.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.7	165.3	67.9	-100.8	0	0	0	110.5	V447 F449 F484 F491 I495 V519 L521 A541 F543 L553	V447-F493 HydrophobicContact CG1-CB 4.15Å; V447-F493 HydrophobicContact CG1-CD2 3.63Å; V447-F493 HydrophobicContact CG1-CE2 4.29Å; V447-F493 HydrophobicContact CG1-CG 4.13Å; F449-F493 HydrophobicContact CB-CB 4.14Å; F484-F493 HydrophobicContact CE1-CB 4.5Å; F484-F493 AromaticContact CE2-CD1 3.98Å; F484-F493 HydrophobicContact CE2-CD1 3.98Å; F484-F493 AromaticContact CE2-CE1 3.94Å; F484-F493 HydrophobicContact CE2-CE1 3.94Å; F484-F493 HydrophobicContact CZ-CB 4.27Å; F484-F493 AromaticContact CZ-CD1 3.68Å; F484-F493 HydrophobicContact CZ-CD1 3.68Å; F484-F493 HydrophobicContact CZ-CD2 4.49Å; F484-F493 HydrophobicContact CZ-CE1 4.04Å; F484-F493 AromaticContact CZ-CG 3.92Å; F484-F493 HydrophobicContact CZ-CG 3.92Å; F491-F493 HydrophobicContact CE2-CD1 4.13Å; F493-I495 HydrophobicContact CD2-CG1 4.35Å; F493-I495 HydrophobicContact CE2-CD1 4.39Å; F493-I495 HydrophobicContact CE2-CG1 4.06Å; F493-V519 HydrophobicContact CD1-CB 4.17Å; F493-V519 HydrophobicContact CD1-CG1 4.35Å; F493-V519 HydrophobicContact CD2-CB 3.98Å; F493-V519 HydrophobicContact CD2-CG2 4.09Å; F493-V519 HydrophobicContact CE1-CB 3.87Å; F493-V519 HydrophobicContact CE1-CG1 3.7Å; F493-V519 HydrophobicContact CE1-CG2 4.47Å; F493-V519 HydrophobicContact CE2-CB 3.68Å; F493-V519 HydrophobicContact CE2-CG1 4.24Å; F493-V519 HydrophobicContact CE2-CG2 3.49Å; F493-V519 VanDerWaalsContact CE2-CG2 3.49Å; F493-V519 HydrophobicContact CG-CB 4.24Å; F493-V519 HydrophobicContact CZ-CB 3.63Å; F493-V519 HydrophobicContact CZ-CG1 3.65Å; F493-V519 HydrophobicContact CZ-CG2 3.73Å; F493-V519 PolarHBondContact N-O 2.9Å; F493-V519 PolarHBondContact O-N 2.89Å; F493-L521 HydrophobicContact CD1-CD1 4.27Å; F493-L521 HydrophobicContact CE1-CD1 4.04Å; F493-L521 HydrophobicContact CE1-CD2 4.34Å; F493-L521 HydrophobicContact CE1-CG 4.26Å; F493-A541 HydrophobicContact CE1-CB 4.47Å; F493-A541 HydrophobicContact CZ-CB 4.21Å; F493-F543 HydrophobicContact CE2-CE1 4.07Å; F493-F543 AromaticContact CE2-CZ 3.79Å; F493-F543 HydrophobicContact CE2-CZ 3.79Å; F493-F543 HydrophobicContact CZ-CE1 4.4Å; F493-F543 AromaticContact CZ-CZ 3.99Å; F493-F543 HydrophobicContact CZ-CZ 3.99Å; F493-L553 HydrophobicContact CZ-CD2 4.05Å
494	H	96.3	Very high	91.8	Very high	72 Å²	72	49.7 Å²	49.7	33%	0.333	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.7	179.9	-53	85	0	0	0	108.9	V447 E448 T518	V447-H494 CarbonylContact C-O 3.5Å; V447-H494 WeakPolarHBondContact CA-O 3.34Å; E448-H494 HydrophobicContact CB-CB 4.15Å; E448-H494 PolarHBondContact N-O 3.38Å; E448-H494 PolarHBondContact O-N 3.24Å; H494-T518 PolarHBondContact CD2-OG1 3.13Å
495	I	97.6	Very high	91.8	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.6	163.6	-42.7	179.4	0	0	0	106.7	I445 L446 F493 N515 L516 T517 V519 F543 L551	I445-I495 HydrophobicContact CG2-CG2 3.71Å; L446-I495 WeakPolarHBondContact O-CA 3.2Å; L446-I495 WeakPolarHBondContact O-CG2 3.23Å; F493-I495 HydrophobicContact CD2-CG1 4.35Å; F493-I495 HydrophobicContact CE2-CD1 4.39Å; F493-I495 HydrophobicContact CE2-CG1 4.06Å; I495-N515 PolarHBondContact O-ND2 3.21Å; I495-N515 VanDerWaalsContact O-ND2 3.14Å; I495-L516 HydrophobicContact CB-CB 4.34Å; I495-L516 HydrophobicContact CG2-CB 4.46Å; I495-L516 HydrophobicContact CG2-CD1 4.16Å; I495-L516 WeakPolarHBondContact O-CA 3.33Å; I495-L516 WeakPolarHBondContact O-CB 3.39Å; I495-L516 PolarHBondContact O-N 2.97Å; I495-T517 HydrophobicContact CB-CG2 3.91Å; I495-T517 HydrophobicContact CD1-CG2 3.54Å; I495-T517 HydrophobicContact CG1-CG2 3.63Å; I495-T517 PolarHBondContact N-O 2.86Å; I495-T517 PolarHBondContact O-N 3.48Å; I495-V519 HydrophobicContact CD1-CG2 4.32Å; I495-V519 HydrophobicContact CG1-CG2 4.41Å; I495-F543 HydrophobicContact CD1-CD1 4.18Å; I495-F543 HydrophobicContact CD1-CE1 3.62Å; I495-F543 HydrophobicContact CG1-CE1 4.33Å; I495-L551 HydrophobicContact CD1-CD2 4.18Å; I495-L551 HydrophobicContact CG2-CD2 3.83Å
496	N	97.3	Very high	92.2	Very high	18 Å²	18	55.4 Å²	55.4	10%	0.096	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	166.4	178.8	-57.5	-31.7	0	0	0	109.3	L446 E448 Q514 N515	L446-N496 HydrophobicContact CD1-CB 3.91Å; L446-N496 PolarHBondContact N-O 3.28Å; L446-N496 PolarHBondContact O-N 2.76Å; E448-N496 PolarHBondContact OE1-ND2 2.87Å; E448-N496 PolarHBondContact OE2-ND2 3.1Å; N496-Q514 CarbonylContact C-O 3.6Å; N496-Q514 VanDerWaalsContact CA-O 3.25Å; N496-Q514 WeakPolarHBondContact CA-O 3.39Å; N496-Q514 WeakPolarHBondContact CB-O 3.43Å; N496-N515 WeakPolarHBondContact OD1-CA 3.24Å; N496-N515 PolarHBondContact OD1-ND2 3.46Å
497	Y	97.6	Very high	92.8	Very high	13 Å²	13	50.2 Å²	50.2	5%	0.051	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142	155.9	-59.7	-84.7	0	0	0	109.5	N181 Q182 P444 I445 F511 Q514 L516	N181-Y497 VanDerWaalsContact CB-OH 3.3Å; N181-Y497 WeakPolarHBondContact CB-OH 3.39Å; Q182-Y497 WeakPolarHBondContact CB-OH 3.41Å; Q182-Y497 HydrophobicContact CG-CE1 4.18Å; Q182-Y497 PolarHBondContact N-OH 2.77Å; P444-Y497 CarbonylContact O-C 3.53Å; P444-Y497 VanDerWaalsContact O-CA 3.23Å; P444-Y497 WeakPolarHBondContact O-CA 3.27Å; I445-Y497 HydrophobicContact CG1-CD1 4.25Å; Y497-F511 HydrophobicContact CD1-CE1 4.49Å; Y497-F511 AromaticContact CD1-CZ 3.8Å; Y497-F511 HydrophobicContact CD1-CZ 3.8Å; Y497-F511 AromaticContact CD2-CE1 3.41Å; Y497-F511 HydrophobicContact CD2-CE1 3.41Å; Y497-F511 VanDerWaalsContact CD2-CE1 3.41Å; Y497-F511 AromaticContact CD2-CZ 3.55Å; Y497-F511 HydrophobicContact CD2-CZ 3.55Å; Y497-F511 AromaticContact CE1-CZ 3.72Å; Y497-F511 HydrophobicContact CE1-CZ 3.72Å; Y497-F511 AromaticContact CE2-CE1 3.45Å; Y497-F511 HydrophobicContact CE2-CE1 3.45Å; Y497-F511 VanDerWaalsContact CE2-CE1 3.45Å; Y497-F511 AromaticContact CE2-CZ 3.45Å; Y497-F511 HydrophobicContact CE2-CZ 3.45Å; Y497-F511 VanDerWaalsContact CE2-CZ 3.45Å; Y497-F511 AromaticContact CG-CE1 3.92Å; Y497-F511 HydrophobicContact CG-CE1 3.92Å; Y497-F511 AromaticContact CG-CZ 3.68Å; Y497-F511 HydrophobicContact CG-CZ 3.68Å; Y497-F511 AromaticContact CZ-CZ 3.5Å; Y497-Q514 WeakPolarHBondContact CD2-O 3.44Å; Y497-Q514 PolarHBondContact N-O 3.27Å; Y497-L516 HydrophobicContact CD1-CD1 4.39Å; Y497-L516 HydrophobicContact CD2-CD2 4.25Å; Y497-L516 HydrophobicContact CD2-CG 4.09Å; Y497-L516 HydrophobicContact CE1-CD1 4.3Å; Y497-L516 HydrophobicContact CE1-CD2 4.09Å; Y497-L516 HydrophobicContact CE1-CG 4.46Å; Y497-L516 HydrophobicContact CE2-CD1 4.47Å; Y497-L516 HydrophobicContact CE2-CD2 3.47Å; Y497-L516 VanDerWaalsContact CE2-CD2 3.47Å; Y497-L516 HydrophobicContact CE2-CG 3.81Å; Y497-L516 WeakPolarHBondContact OH-CD2 3.37Å
498	G	92.4	Very high	93.3	Very high	6 Å²	6	51.3 Å²	51.3	6%	0.062	29%	0.293	C	S	.	.			trans	-83	-175.8	166.5	0	0	0	0	0	111.1	P444 L500	P444-G498 PolarHBondContact O-N 3.05Å; G498-L500 WeakPolarHBondContact O-CG 3.45Å; G498-L500 PolarHBondContact O-N 2.7Å; G498-L500 VanDerWaalsContact O-N 3.1Å
499	D	88.7	Confident	93.7	Very high	113 Å²	113	55.2 Å²	55.2	60%	0.604	30%	0.299	S	S	*	.			trans	-13.8	99.7	176.6	-179.3	23.6	0	0	0	116.1	P444 G501	P444-D499 HydrophobicContact CG-CB 4.44Å; P444-D499 VanDerWaalsContact CG-O 3.3Å; P444-D499 WeakPolarHBondContact CG-O 3.12Å; D499-G501 PolarHBondContact OD1-N 3.19Å
500	L	95.2	Very high	94	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.063	27%	0.273	C	S	.	.			trans	-104.2	16.6	172	-59.3	-177.5	0	0	0	111.7	Y443 G498 F502 L503 L508 F511 Q514	Y443-L500 HydrophobicContact CD1-CD2 3.86Å; G498-L500 WeakPolarHBondContact O-CG 3.45Å; G498-L500 PolarHBondContact O-N 2.7Å; G498-L500 VanDerWaalsContact O-N 3.1Å; L500-F502 HydrophobicContact CD2-CE1 4.27Å; L500-F502 PolarHBondContact O-N 2.93Å; L500-L503 HydrophobicContact CB-CD1 4.25Å; L500-L503 HydrophobicContact CD2-CD1 4.37Å; L500-L503 WeakPolarHBondContact O-CB 3.35Å; L500-L503 PolarHBondContact O-N 2.82Å; L500-L508 HydrophobicContact CB-CD2 3.67Å; L500-L508 HydrophobicContact CD1-CD2 4.12Å; L500-F511 HydrophobicContact CD1-CD1 3.85Å; L500-F511 HydrophobicContact CD1-CE1 3.57Å; L500-F511 HydrophobicContact CD1-CG 4.46Å; L500-F511 HydrophobicContact CD1-CZ 3.96Å; L500-F511 HydrophobicContact CD2-CZ 4.35Å; L500-Q514 HydrophobicContact CD1-CG 4.09Å
501	G	92.8	Very high	94.1	Very high	65 Å²	65	45.8 Å²	45.8	67%	0.67	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.9	-175.1	0	0	0	0	0	114.9	D499 L503	D499-G501 PolarHBondContact OD1-N 3.19Å; G501-L503 VanDerWaalsContact C-N 3.35Å
502	F	91.8	Very high	94.1	Very high	47 Å²	47	46.5 Å²	46.5	21%	0.206	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9	172.7	71.4	-88.3	0	0	0	114.3	V442 Y443 L500	V442-F502 HydrophobicContact CG1-CE2 4.47Å; V442-F502 HydrophobicContact CG1-CZ 4.4Å; V442-F502 VanDerWaalsContact O-CZ 3.27Å; V442-F502 WeakPolarHBondContact O-CZ 3.49Å; Y443-F502 AromaticContact CD1-CZ 3.8Å; Y443-F502 HydrophobicContact CD1-CZ 3.8Å; Y443-F502 HydrophobicContact CE1-CE2 4.35Å; Y443-F502 AromaticContact CE1-CZ 3.96Å; Y443-F502 HydrophobicContact CE1-CZ 3.96Å; L500-F502 HydrophobicContact CD2-CE1 4.27Å; L500-F502 PolarHBondContact O-N 2.93Å
503	L	94.4	Very high	94	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.073	27%	0.266	C	S	.	.	S	Bend	trans	-90.8	136.1	174.4	-62.4	-177.2	0	0	0	110.2	F266 Y443 L500 G501 D507 L508 F511	F266-L503 HydrophobicContact CE2-CD2 4.36Å; F266-L503 HydrophobicContact CZ-CD2 3.83Å; Y443-L503 HydrophobicContact CE1-CD1 4.06Å; Y443-L503 HydrophobicContact CE1-CD2 4.3Å; L500-L503 HydrophobicContact CB-CD1 4.25Å; L500-L503 HydrophobicContact CD2-CD1 4.37Å; L500-L503 WeakPolarHBondContact O-CB 3.35Å; L500-L503 PolarHBondContact O-N 2.82Å; G501-L503 VanDerWaalsContact C-N 3.35Å; L503-D507 HydrophobicContact CB-CB 3.97Å; L503-D507 HydrophobicContact CD2-CB 4.28Å; L503-L508 HydrophobicContact CB-CD2 3.9Å; L503-L508 HydrophobicContact CB-CG 3.83Å; L503-L508 HydrophobicContact CD1-CD2 4.06Å; L503-F511 HydrophobicContact CD1-CB 4.41Å; L503-F511 HydrophobicContact CD1-CD2 4.07Å; L503-F511 HydrophobicContact CD1-CG 4.34Å
504	G	92.1	Very high	93.9	Very high	29 Å²	29	50.6 Å²	50.6	30%	0.299	29%	0.289	S	S	.	.			trans	-64.6	161.9	172.5	0	0	0	0	0	112.2	E506 D507 L508	G504-E506 PolarHBondContact O-N 3.19Å; G504-D507 PolarHBondContact O-N 3.19Å; G504-L508 PolarHBondContact O-N 2.9Å
505	P	92.7	Very high	93.8	Very high	103 Å²	103	50 Å²	50	67%	0.669	29%	0.288	S	S	*	.	H	α-helix	trans	-54.4	-37.1	179.8	-28.4	36.1	0	0	0	114.2	R509	P505-R509 WeakPolarHBondContact O-CG 3.1Å; P505-R509 PolarHBondContact O-N 3.02Å
506	E	91.1	Very high	93.6	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-73.3	-38.5	175.7	-66.1	-57.7	98.9	0	0	112.6	G504 L508 R509 V510	G504-E506 PolarHBondContact O-N 3.19Å; E506-L508 VanDerWaalsContact C-N 3.32Å; E506-L508 PolarHBondContact O-N 3.46Å; E506-R509 PolarHBondContact O-N 3.17Å; E506-R509 WeakPolarHBondContact OE1-CD 3.13Å; E506-R509 IonicContact OE1-CZ 3.83Å; E506-R509 IonicContact OE1-NE 2.73Å; E506-R509 IonicContact OE1-NH1 2.7Å; E506-R509 PolarHBondContact OE1-NH1 3.08Å; E506-R509 IonicContact OE2-CZ 3.21Å; E506-R509 IonicContact OE2-NH1 2.75Å; E506-R509 PolarHBondContact OE2-NH1 2.81Å; E506-V510 WeakPolarHBondContact O-CG2 3.43Å; E506-V510 PolarHBondContact O-N 3.02Å
507	D	93.7	Very high	93.5	Very high	51 Å²	51	51.3 Å²	51.3	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-37.6	173.7	-74.7	-62.8	0	0	0	111.7	L503 G504 V510 F511	L503-D507 HydrophobicContact CB-CB 3.97Å; L503-D507 HydrophobicContact CD2-CB 4.28Å; G504-D507 PolarHBondContact O-N 3.19Å; D507-V510 CarbonylContact O-C 3.55Å; D507-V510 PolarHBondContact O-N 3.1Å; D507-F511 VanDerWaalsContact O-CB 3.23Å; D507-F511 WeakPolarHBondContact O-CB 3.23Å; D507-F511 PolarHBondContact O-N 3.49Å
508	L	95	Very high	93.3	Very high	52 Å²	52	53.4 Å²	53.4	27%	0.272	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-40.2	173.1	-72.5	168.3	0	0	0	111.9	L500 L503 G504 E506 F511 G512	L500-L508 HydrophobicContact CB-CD2 3.67Å; L500-L508 HydrophobicContact CD1-CD2 4.12Å; L503-L508 HydrophobicContact CB-CD2 3.9Å; L503-L508 HydrophobicContact CB-CG 3.83Å; L503-L508 HydrophobicContact CD1-CD2 4.06Å; G504-L508 PolarHBondContact O-N 2.9Å; E506-L508 VanDerWaalsContact C-N 3.32Å; E506-L508 PolarHBondContact O-N 3.46Å; L508-F511 WeakPolarHBondContact O-CB 3.21Å; L508-F511 PolarHBondContact O-N 3.11Å; L508-G512 PolarHBondContact O-N 2.8Å
509	R	94.8	Very high	93.5	Very high	140 Å²	140	54.1 Å²	54.1	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-67.7	-37.5	174	-69.2	172.6	63.5	-141	-8.9	112.2	N110 P111 P505 E506	N110-R509 PolarHBondContact ND2-O 2.74Å; N110-R509 VanDerWaalsContact ND2-O 3.16Å; P111-R509 WeakPolarHBondContact CD-O 3.43Å; P111-R509 HydrophobicContact CG-CB 3.86Å; P505-R509 WeakPolarHBondContact O-CG 3.1Å; P505-R509 PolarHBondContact O-N 3.02Å; E506-R509 PolarHBondContact O-N 3.17Å; E506-R509 WeakPolarHBondContact OE1-CD 3.13Å; E506-R509 IonicContact OE1-CZ 3.83Å; E506-R509 IonicContact OE1-NE 2.73Å; E506-R509 IonicContact OE1-NH1 2.7Å; E506-R509 PolarHBondContact OE1-NH1 3.08Å; E506-R509 IonicContact OE2-CZ 3.21Å; E506-R509 IonicContact OE2-NH1 2.75Å; E506-R509 PolarHBondContact OE2-NH1 2.81Å
510	V	95.3	Very high	93.8	Very high	10 Å²	10	55.8 Å²	55.8	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-69.1	-33.4	173.6	165.6	0	0	0	0	112.1	K106 N110 P111 E506 D507	K106-V510 PolarHBondContact NZ-O 3.46Å; N110-V510 PolarHBondContact ND2-O 3.11Å; P111-V510 HydrophobicContact CB-CG2 3.92Å; P111-V510 HydrophobicContact CG-CG2 4.17Å; E506-V510 WeakPolarHBondContact O-CG2 3.43Å; E506-V510 PolarHBondContact O-N 3.02Å; D507-V510 CarbonylContact O-C 3.55Å; D507-V510 PolarHBondContact O-N 3.1Å
511	F	95.4	Very high	93.7	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-43.4	178.3	-173	-91.7	0	0	0	111.8	N181 Y443 Y497 L500 L503 D507 L508	N181-F511 HydrophobicContact CB-CD2 4.31Å; N181-F511 HydrophobicContact CB-CE2 3.65Å; N181-F511 HydrophobicContact CB-CZ 4.04Å; N181-F511 PolarHBondContact ND2-O 2.99Å; Y443-F511 HydrophobicContact CD1-CD2 4.36Å; Y443-F511 AromaticContact CD1-CE2 3.58Å; Y443-F511 HydrophobicContact CD1-CE2 3.58Å; Y443-F511 HydrophobicContact CD1-CZ 4.25Å; Y443-F511 AromaticContact CD2-CE2 3.89Å; Y443-F511 HydrophobicContact CD2-CE2 3.89Å; Y443-F511 HydrophobicContact CE1-CD2 4.03Å; Y443-F511 AromaticContact CE1-CE2 3.64Å; Y443-F511 HydrophobicContact CE1-CE2 3.64Å; Y443-F511 AromaticContact CE2-CE2 3.93Å; Y443-F511 HydrophobicContact CE2-CE2 3.93Å; Y443-F511 AromaticContact CG-CE2 3.72Å; Y443-F511 HydrophobicContact CG-CE2 3.72Å; Y443-F511 HydrophobicContact CG-CZ 4.21Å; Y443-F511 AromaticContact CZ-CE2 3.82Å; Y497-F511 HydrophobicContact CD1-CE1 4.49Å; Y497-F511 AromaticContact CD1-CZ 3.8Å; Y497-F511 HydrophobicContact CD1-CZ 3.8Å; Y497-F511 AromaticContact CD2-CE1 3.41Å; Y497-F511 HydrophobicContact CD2-CE1 3.41Å; Y497-F511 VanDerWaalsContact CD2-CE1 3.41Å; Y497-F511 AromaticContact CD2-CZ 3.55Å; Y497-F511 HydrophobicContact CD2-CZ 3.55Å; Y497-F511 AromaticContact CE1-CZ 3.72Å; Y497-F511 HydrophobicContact CE1-CZ 3.72Å; Y497-F511 AromaticContact CE2-CE1 3.45Å; Y497-F511 HydrophobicContact CE2-CE1 3.45Å; Y497-F511 VanDerWaalsContact CE2-CE1 3.45Å; Y497-F511 AromaticContact CE2-CZ 3.45Å; Y497-F511 HydrophobicContact CE2-CZ 3.45Å; Y497-F511 VanDerWaalsContact CE2-CZ 3.45Å; Y497-F511 AromaticContact CG-CE1 3.92Å; Y497-F511 HydrophobicContact CG-CE1 3.92Å; Y497-F511 AromaticContact CG-CZ 3.68Å; Y497-F511 HydrophobicContact CG-CZ 3.68Å; Y497-F511 AromaticContact CZ-CZ 3.5Å; L500-F511 HydrophobicContact CD1-CD1 3.85Å; L500-F511 HydrophobicContact CD1-CE1 3.57Å; L500-F511 HydrophobicContact CD1-CG 4.46Å; L500-F511 HydrophobicContact CD1-CZ 3.96Å; L500-F511 HydrophobicContact CD2-CZ 4.35Å; L503-F511 HydrophobicContact CD1-CB 4.41Å; L503-F511 HydrophobicContact CD1-CD2 4.07Å; L503-F511 HydrophobicContact CD1-CG 4.34Å; D507-F511 VanDerWaalsContact O-CB 3.23Å; D507-F511 WeakPolarHBondContact O-CB 3.23Å; D507-F511 PolarHBondContact O-N 3.49Å; L508-F511 WeakPolarHBondContact O-CB 3.21Å; L508-F511 PolarHBondContact O-N 3.11Å
512	G	92.6	Very high	93.8	Very high	31 Å²	31	61.3 Å²	61.3	32%	0.32	32%	0.322	S	S	.	.			trans	86.2	-137	175.2	0	0	0	0	0	113.1	L508 Q514	L508-G512 PolarHBondContact O-N 2.8Å; G512-Q514 PolarHBondContact O-N 3.33Å
513	S	91.6	Very high	93.8	Very high	65 Å²	65	60.5 Å²	60.5	46%	0.455	33%	0.326	S	S	.	.			trans	-57.1	123.3	-175.3	-178.8	0	0	0	0	112.6	N515	S513-N515 PolarHBondContact OG-N 3.12Å; S513-N515 PolarHBondContact OG-O 2.92Å
514	Q	93.6	Very high	93.7	Very high	104 Å²	104	60.1 Å²	60.1	49%	0.486	33%	0.325	S	S	.	.	S	Bend	trans	-80.8	-18.4	170.3	-61.6	-175.5	10.8	0	0	112.5	N496 Y497 L500 G512	N496-Q514 CarbonylContact C-O 3.6Å; N496-Q514 VanDerWaalsContact CA-O 3.25Å; N496-Q514 WeakPolarHBondContact CA-O 3.39Å; N496-Q514 WeakPolarHBondContact CB-O 3.43Å; Y497-Q514 WeakPolarHBondContact CD2-O 3.44Å; Y497-Q514 PolarHBondContact N-O 3.27Å; L500-Q514 HydrophobicContact CD1-CG 4.09Å; G512-Q514 PolarHBondContact O-N 3.33Å
515	N	93.4	Very high	93.6	Very high	59 Å²	59	59.2 Å²	59.2	32%	0.316	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.5	169.9	-177	-107.6	0	0	0	110.3	I495 N496 S513 T517	I495-N515 PolarHBondContact O-ND2 3.21Å; I495-N515 VanDerWaalsContact O-ND2 3.14Å; N496-N515 WeakPolarHBondContact OD1-CA 3.24Å; N496-N515 PolarHBondContact OD1-ND2 3.46Å; S513-N515 PolarHBondContact OG-N 3.12Å; S513-N515 PolarHBondContact OG-O 2.92Å; N515-T517 PolarHBondContact ND2-O 2.61Å; N515-T517 WeakPolarHBondContact OD1-CA 3.24Å; N515-T517 PolarHBondContact OD1-N 3.16Å; N515-T517 PolarHBondContact OD1-O 3.42Å
516	L	94.6	Very high	93.6	Very high	20 Å²	20	58.8 Å²	58.8	11%	0.105	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-38.6	173.1	-74.3	172.1	0	0	0	112	Q182 I445 I495 Y497 L551 F677	Q182-L516 HydrophobicContact CB-CD2 3.52Å; Q182-L516 HydrophobicContact CG-CD1 4.33Å; Q182-L516 HydrophobicContact CG-CD2 3.54Å; I445-L516 HydrophobicContact CD1-CD1 4.11Å; I445-L516 HydrophobicContact CG1-CD1 4.09Å; I445-L516 HydrophobicContact CG2-CD1 3.98Å; I495-L516 HydrophobicContact CB-CB 4.34Å; I495-L516 HydrophobicContact CG2-CB 4.46Å; I495-L516 HydrophobicContact CG2-CD1 4.16Å; I495-L516 WeakPolarHBondContact O-CA 3.33Å; I495-L516 WeakPolarHBondContact O-CB 3.39Å; I495-L516 PolarHBondContact O-N 2.97Å; Y497-L516 HydrophobicContact CD1-CD1 4.39Å; Y497-L516 HydrophobicContact CD2-CD2 4.25Å; Y497-L516 HydrophobicContact CD2-CG 4.09Å; Y497-L516 HydrophobicContact CE1-CD1 4.3Å; Y497-L516 HydrophobicContact CE1-CD2 4.09Å; Y497-L516 HydrophobicContact CE1-CG 4.46Å; Y497-L516 HydrophobicContact CE2-CD1 4.47Å; Y497-L516 HydrophobicContact CE2-CD2 3.47Å; Y497-L516 VanDerWaalsContact CE2-CD2 3.47Å; Y497-L516 HydrophobicContact CE2-CG 3.81Å; Y497-L516 WeakPolarHBondContact OH-CD2 3.37Å; L516-L551 HydrophobicContact CD1-CD2 3.99Å; L516-F677 WeakPolarHBondContact O-CE1 3.25Å
517	T	93.9	Very high	93.6	Very high	30 Å²	30	54.5 Å²	54.5	18%	0.184	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	164.8	174.4	-169.5	0	0	0	0	112.1	I495 N515 V519 F677	I495-T517 HydrophobicContact CB-CG2 3.91Å; I495-T517 HydrophobicContact CD1-CG2 3.54Å; I495-T517 HydrophobicContact CG1-CG2 3.63Å; I495-T517 PolarHBondContact N-O 2.86Å; I495-T517 PolarHBondContact O-N 3.48Å; N515-T517 PolarHBondContact ND2-O 2.61Å; N515-T517 WeakPolarHBondContact OD1-CA 3.24Å; N515-T517 PolarHBondContact OD1-N 3.16Å; N515-T517 PolarHBondContact OD1-O 3.42Å; T517-V519 HydrophobicContact CG2-CG2 3.93Å; T517-F677 HydrophobicContact CG2-CZ 4.23Å; T517-F677 WeakPolarHBondContact OG1-CE1 3.4Å
518	T	95.3	Very high	93.4	Very high	56 Å²	56	54.8 Å²	54.8	34%	0.344	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.7	163	-55.9	0	0	0	0	108.6	H494 K520	H494-T518 PolarHBondContact CD2-OG1 3.13Å; T518-K520 HydrophobicContact CG2-CG 4.3Å
519	V	95.8	Very high	93.3	Very high	21 Å²	21	59.4 Å²	59.4	13%	0.127	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.6	176.4	-175.8	0	0	0	0	108.7	N492 F493 I495 T517 L521 L553	N492-V519 CarbonylContact C-O 3.32Å; N492-V519 VanDerWaalsContact CA-O 3.24Å; N492-V519 WeakPolarHBondContact CA-O 3.41Å; F493-V519 HydrophobicContact CD1-CB 4.17Å; F493-V519 HydrophobicContact CD1-CG1 4.35Å; F493-V519 HydrophobicContact CD2-CB 3.98Å; F493-V519 HydrophobicContact CD2-CG2 4.09Å; F493-V519 HydrophobicContact CE1-CB 3.87Å; F493-V519 HydrophobicContact CE1-CG1 3.7Å; F493-V519 HydrophobicContact CE1-CG2 4.47Å; F493-V519 HydrophobicContact CE2-CB 3.68Å; F493-V519 HydrophobicContact CE2-CG1 4.24Å; F493-V519 HydrophobicContact CE2-CG2 3.49Å; F493-V519 VanDerWaalsContact CE2-CG2 3.49Å; F493-V519 HydrophobicContact CG-CB 4.24Å; F493-V519 HydrophobicContact CZ-CB 3.63Å; F493-V519 HydrophobicContact CZ-CG1 3.65Å; F493-V519 HydrophobicContact CZ-CG2 3.73Å; F493-V519 PolarHBondContact N-O 2.9Å; F493-V519 PolarHBondContact O-N 2.89Å; I495-V519 HydrophobicContact CD1-CG2 4.32Å; I495-V519 HydrophobicContact CG1-CG2 4.41Å; T517-V519 HydrophobicContact CG2-CG2 3.93Å; V519-L521 HydrophobicContact CG1-CD2 3.77Å; V519-L521 HydrophobicContact CG1-CG 4.37Å; V519-L553 HydrophobicContact CG1-CD2 3.95Å; V519-L553 HydrophobicContact CG2-CD2 3.83Å
520	K	95.3	Very high	93.1	Very high	149 Å²	149	58.6 Å²	58.6	65%	0.648	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	106.7	178.5	-52.6	-167	178	179.5	0	108.9	N492 T518	N492-K520 WeakPolarHBondContact OD1-CA 3.45Å; N492-K520 VanDerWaalsContact OD1-CB 3.24Å; N492-K520 WeakPolarHBondContact OD1-CB 3.36Å; N492-K520 VanDerWaalsContact OD1-CG 3.23Å; N492-K520 WeakPolarHBondContact OD1-CG 3.45Å; T518-K520 HydrophobicContact CG2-CG 4.3Å
521	L	93.3	Very high	92.7	Very high	21 Å²	21	59.5 Å²	59.5	11%	0.11	31%	0.309	C	S	.	.			trans	-85.7	144.1	-179.1	-58.5	-178.3	0	0	0	110.6	F491 F493 V519 V524 I539 V556	F491-L521 HydrophobicContact CD1-CD1 4.18Å; F491-L521 HydrophobicContact CE1-CD1 3.6Å; F491-L521 HydrophobicContact CE2-CD1 4.07Å; F491-L521 HydrophobicContact CZ-CD1 3.53Å; F491-L521 WeakPolarHBondContact O-CB 3.44Å; F491-L521 PolarHBondContact O-N 2.95Å; F493-L521 HydrophobicContact CD1-CD1 4.27Å; F493-L521 HydrophobicContact CE1-CD1 4.04Å; F493-L521 HydrophobicContact CE1-CD2 4.34Å; F493-L521 HydrophobicContact CE1-CG 4.26Å; V519-L521 HydrophobicContact CG1-CD2 3.77Å; V519-L521 HydrophobicContact CG1-CG 4.37Å; L521-V524 HydrophobicContact CB-CG2 4.1Å; L521-I539 HydrophobicContact CD1-CG2 4.27Å; L521-V556 HydrophobicContact CD1-CG1 3.95Å; L521-V556 HydrophobicContact CD2-CB 4.16Å; L521-V556 HydrophobicContact CD2-CG1 3.88Å; L521-V556 HydrophobicContact CD2-CG2 4.05Å
522	K	93.8	Very high	92.3	Very high	172 Å²	172	63.5 Å²	63.5	75%	0.748	34%	0.335	S	S	*	.			trans	-139.4	150.8	179.3	-70.4	-166.4	173.5	-168.2	0	112.4	D490 V524	D490-K522 VanDerWaalsContact OD2-CA 3.27Å; D490-K522 WeakPolarHBondContact OD2-CA 3.18Å; K522-V524 VanDerWaalsContact C-N 3.3Å
523	G	91.9	Very high	92.1	Very high	30 Å²	30	68.9 Å²	68.9	31%	0.309	36%	0.357	S	S	.	.	S	Bend	trans	75.6	17.6	-177.7	0	0	0	0	0	113.6	D490 D526 S527	D490-G523 PolarHBondContact OD1-N 2.96Å; D490-G523 PolarHBondContact OD2-N 2.83Å; G523-D526 PolarHBondContact O-N 2.79Å; G523-S527 PolarHBondContact O-N 2.8Å; G523-S527 VanDerWaalsContact O-N 3.13Å
524	V	92.3	Very high	91.8	Very high	6 Å²	6	70.4 Å²	70.4	4%	0.036	35%	0.353	C	S	.	.	H	α-helix	trans	-67.5	-51.2	174.5	-179.9	0	0	0	0	108.8	D490 F491 L521 K522 D526 S527 F528 I539	D490-V524 PolarHBondContact OD1-N 3.37Å; F491-V524 HydrophobicContact CD1-CG2 4.42Å; F491-V524 HydrophobicContact CE1-CG2 4.47Å; L521-V524 HydrophobicContact CB-CG2 4.1Å; K522-V524 VanDerWaalsContact C-N 3.3Å; V524-D526 PolarHBondContact O-N 2.9Å; V524-D526 VanDerWaalsContact O-N 3.16Å; V524-S527 PolarHBondContact O-N 2.86Å; V524-S527 PolarHBondContact O-OG 2.92Å; V524-F528 HydrophobicContact CG1-CD2 4.39Å; V524-F528 HydrophobicContact CG1-CE2 4.16Å; V524-F528 WeakPolarHBondContact O-CD2 3.29Å; V524-F528 PolarHBondContact O-N 3.49Å; V524-I539 HydrophobicContact CG1-CD1 3.82Å; V524-I539 HydrophobicContact CG1-CG1 4.06Å
525	G	90.9	Very high	91.6	Very high	9 Å²	9	69.3 Å²	69.3	9%	0.093	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-26	177.7	0	0	0	0	0	113.8	S488 K529	S488-G525 VanDerWaalsContact O-CA 3.23Å; S488-G525 WeakPolarHBondContact O-CA 3.33Å; G525-K529 WeakPolarHBondContact O-CE 3.43Å; G525-K529 VanDerWaalsContact O-CG 3.27Å; G525-K529 WeakPolarHBondContact O-CG 3.46Å; G525-K529 PolarHBondContact O-N 2.97Å
526	D	92.4	Very high	91.4	Very high	94 Å²	94	68.2 Å²	68.2	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-81.6	-22.9	176.7	-61.3	-34.5	0	0	0	112.8	G523 V524 K529 K530	G523-D526 PolarHBondContact O-N 2.79Å; V524-D526 PolarHBondContact O-N 2.9Å; V524-D526 VanDerWaalsContact O-N 3.16Å; D526-K529 IonicContact OD1-NZ 3.58Å; D526-K529 PolarHBondContact OD1-NZ 2.87Å; D526-K530 WeakPolarHBondContact O-CB 3.41Å; D526-K530 PolarHBondContact O-N 3.14Å; D526-K530 VanDerWaalsContact O-N 3.13Å
527	S	91.5	Very high	91.3	Very high	17 Å²	17	70.2 Å²	70.2	12%	0.119	35%	0.353	C	S	.	.	H	α-helix	trans	-71.1	-41.4	171.9	79	0	0	0	0	111.2	G523 V524 K530 Y531 S558	G523-S527 PolarHBondContact O-N 2.8Å; G523-S527 VanDerWaalsContact O-N 3.13Å; V524-S527 PolarHBondContact O-N 2.86Å; V524-S527 PolarHBondContact O-OG 2.92Å; S527-K530 PolarHBondContact O-N 2.8Å; S527-Y531 WeakPolarHBondContact O-CD2 3.36Å; S527-Y531 PolarHBondContact O-N 2.84Å; S527-Y531 VanDerWaalsContact O-N 3.15Å; S527-S558 WeakPolarHBondContact OG-CB 3.25Å; S527-S558 PolarHBondContact OG-OG 2.95Å
528	F	89.9	Confident	91.3	Very high	58 Å²	58	69 Å²	69	25%	0.254	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-43.4	172.6	-78.4	-98.8	0	0	0	112.3	Y487 V524 K530 Y531 S536 I539 F560	Y487-F528 WeakPolarHBondContact O-CE2 3.23Å; V524-F528 HydrophobicContact CG1-CD2 4.39Å; V524-F528 HydrophobicContact CG1-CE2 4.16Å; V524-F528 WeakPolarHBondContact O-CD2 3.29Å; V524-F528 PolarHBondContact O-N 3.49Å; F528-K530 PolarHBondContact O-N 3.05Å; F528-Y531 CarbonylContact O-C 3.59Å; F528-Y531 PolarHBondContact O-N 3.03Å; F528-S536 VanDerWaalsContact CE1-CB 3.47Å; F528-S536 WeakPolarHBondContact CZ-OG 3.3Å; F528-I539 HydrophobicContact CE2-CD1 4.2Å; F528-F560 AromaticContact CD1-CE1 3.95Å; F528-F560 HydrophobicContact CD1-CE1 3.95Å; F528-F560 HydrophobicContact CD1-CZ 4.3Å; F528-F560 HydrophobicContact CD2-CE1 4.44Å; F528-F560 AromaticContact CD2-CZ 3.98Å; F528-F560 HydrophobicContact CD2-CZ 3.98Å; F528-F560 HydrophobicContact CE1-CE1 4.13Å; F528-F560 HydrophobicContact CE2-CZ 4.23Å; F528-F560 HydrophobicContact CG-CE1 4.12Å; F528-F560 HydrophobicContact CG-CZ 4.02Å; F528-F560 HydrophobicContact CZ-CE1 4.45Å
529	K	91.1	Very high	91.3	Very high	148 Å²	148	66.4 Å²	66.4	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-62.6	-28	174.6	-68.5	167.5	-152.6	161.9	0	113.7	G525 D526	G525-K529 WeakPolarHBondContact O-CE 3.43Å; G525-K529 VanDerWaalsContact O-CG 3.27Å; G525-K529 WeakPolarHBondContact O-CG 3.46Å; G525-K529 PolarHBondContact O-N 2.97Å; D526-K529 IonicContact OD1-NZ 3.58Å; D526-K529 PolarHBondContact OD1-NZ 2.87Å
530	K	91.5	Very high	91.3	Very high	123 Å²	123	67.8 Å²	67.8	54%	0.535	33%	0.334	S	S	.	.	H	α-helix	trans	-81.1	-26.8	-179.3	-175.6	-176.7	174	-150	0	112.6	D526 S527 F528 C668	D526-K530 WeakPolarHBondContact O-CB 3.41Å; D526-K530 PolarHBondContact O-N 3.14Å; D526-K530 VanDerWaalsContact O-N 3.13Å; S527-K530 PolarHBondContact O-N 2.8Å; F528-K530 PolarHBondContact O-N 3.05Å; K530-C668 PolarHBondContact NZ-SG 3.4Å
531	Y	87.4	Confident	91.4	Very high	30 Å²	30	60.7 Å²	60.7	12%	0.118	30%	0.304	C	S	.	.			trans	-126.3	58.4	-178.3	-61.9	-77.4	0	0	0	111.1	S527 F528 D533 Y534 F560 S666 C668	S527-Y531 WeakPolarHBondContact O-CD2 3.36Å; S527-Y531 PolarHBondContact O-N 2.84Å; S527-Y531 VanDerWaalsContact O-N 3.15Å; F528-Y531 CarbonylContact O-C 3.59Å; F528-Y531 PolarHBondContact O-N 3.03Å; Y531-D533 VanDerWaalsContact C-N 3.29Å; Y531-D533 PolarHBondContact O-N 2.91Å; Y531-Y534 HydrophobicContact CD1-CD2 4.04Å; Y531-Y534 AromaticContact CD1-CE2 4Å; Y531-Y534 HydrophobicContact CD1-CE2 4Å; Y531-Y534 PolarHBondContact O-N 3.02Å; Y531-F560 AromaticContact CD2-CD2 3.99Å; Y531-F560 HydrophobicContact CD2-CD2 3.99Å; Y531-F560 HydrophobicContact CD2-CE2 4.08Å; Y531-F560 HydrophobicContact CG-CD2 4.3Å; Y531-F560 HydrophobicContact CG-CG 4.45Å; Y531-S666 PolarHBondContact OH-OG 2.94Å; Y531-C668 PolarHBondContact OH-SG 2.84Å
532	P	85.6	Confident	91.6	Very high	91 Å²	91	62.3 Å²	62.3	59%	0.591	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-28.2	-173.8	29.9	-35	0	0	0	112.9	Y534	P532-Y534 VanDerWaalsContact C-N 3.3Å; P532-Y534 PolarHBondContact O-N 3Å
533	D	88.3	Confident	91.8	Very high	144 Å²	144	54.2 Å²	54.2	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	11.1	-176.6	-41.3	-69.2	0	0	0	113.3	Y531	Y531-D533 VanDerWaalsContact C-N 3.29Å; Y531-D533 PolarHBondContact O-N 2.91Å
534	Y	86.7	Confident	92.1	Very high	96 Å²	96	53.7 Å²	53.7	38%	0.376	27%	0.265	S	S	.	.	S	Bend	trans	-120.9	141	-174.8	-65.3	-109.9	0	0	0	111.2	Y531 P532 S536 F560 T562	Y531-Y534 HydrophobicContact CD1-CD2 4.04Å; Y531-Y534 AromaticContact CD1-CE2 4Å; Y531-Y534 HydrophobicContact CD1-CE2 4Å; Y531-Y534 PolarHBondContact O-N 3.02Å; P532-Y534 VanDerWaalsContact C-N 3.3Å; P532-Y534 PolarHBondContact O-N 3Å; Y534-S536 PolarHBondContact O-N 2.82Å; Y534-F560 HydrophobicContact CG-CB 4.49Å; Y534-T562 VanDerWaalsContact CE1-OG1 3.24Å; Y534-T562 WeakPolarHBondContact CE1-OG1 3.28Å
535	E	89.1	Confident	92.3	Very high	82 Å²	82	53.6 Å²	53.6	38%	0.383	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.9	178.2	-160.7	-148.4	134.1	0	0	110.3	K537 F560 E561 L563	E535-K537 PolarHBondContact O-N 3.07Å; E535-K537 WeakPolarHBondContact OE1-CE 3.35Å; E535-K537 IonicContact OE1-NZ 3.16Å; E535-K537 PolarHBondContact OE1-NZ 3.19Å; E535-K537 IonicContact OE2-NZ 2.65Å; E535-K537 PolarHBondContact OE2-NZ 2.75Å; E535-F560 CarbonylContact O-C 3.57Å; E535-F560 WeakPolarHBondContact O-CA 3.05Å; E535-E561 PolarHBondContact N-O 3Å; E535-E561 PolarHBondContact O-N 3.4Å; E535-L563 HydrophobicContact CB-CG 4.5Å
536	S	90	Very high	92.6	Very high	35 Å²	35	55 Å²	55	25%	0.245	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.3	178.9	-171.4	0	0	0	0	112.2	F528 Y534 G538 V559	F528-S536 VanDerWaalsContact CE1-CB 3.47Å; F528-S536 WeakPolarHBondContact CZ-OG 3.3Å; Y534-S536 PolarHBondContact O-N 2.82Å; S536-G538 PolarHBondContact O-N 3.08Å; S536-G538 PolarHBondContact OG-N 3.5Å; S536-V559 CarbonylContact C-O 3.57Å; S536-V559 WeakPolarHBondContact CA-O 3.32Å; S536-V559 PolarHBondContact OG-O 3.1Å
537	K	92.3	Very high	92.8	Very high	62 Å²	62	55.1 Å²	55.1	27%	0.27	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	32.8	168.3	-51.7	-55	-174.6	179.6	0	112.1	T483 E535 V559 E561	T483-K537 VanDerWaalsContact CG2-O 3.3Å; T483-K537 WeakPolarHBondContact CG2-O 3.33Å; E535-K537 PolarHBondContact O-N 3.07Å; E535-K537 WeakPolarHBondContact OE1-CE 3.35Å; E535-K537 IonicContact OE1-NZ 3.16Å; E535-K537 PolarHBondContact OE1-NZ 3.19Å; E535-K537 IonicContact OE2-NZ 2.65Å; E535-K537 PolarHBondContact OE2-NZ 2.75Å; K537-V559 HydrophobicContact CB-CB 4.24Å; K537-V559 HydrophobicContact CB-CG1 4.03Å; K537-V559 HydrophobicContact CG-CG1 4.47Å; K537-V559 PolarHBondContact N-O 2.79Å; K537-E561 WeakPolarHBondContact CE-OE2 3.38Å; K537-E561 HydrophobicContact CG-CB 4.37Å; K537-E561 VanDerWaalsContact CG-CD 3.45Å; K537-E561 HydrophobicContact CG-CG 3.93Å; K537-E561 WeakPolarHBondContact CG-OE1 3.38Å; K537-E561 IonicContact NZ-OE2 2.66Å
538	G	92.8	Very high	93.1	Very high	4 Å²	4	54.8 Å²	54.8	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73	-176.7	176.4	0	0	0	0	0	115.2	S536 V559	S536-G538 PolarHBondContact O-N 3.08Å; S536-G538 PolarHBondContact OG-N 3.5Å; G538-V559 PolarHBondContact O-N 3.04Å
539	I	95.3	Very high	93.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.3	175.2	-62.2	78.2	0	0	0	108.5	T483 F484 Y487 F491 L521 V524 F528 V556 E557	T483-I539 CarbonylContact C-O 3.23Å; T483-I539 WeakPolarHBondContact CA-O 3.27Å; F484-I539 HydrophobicContact CB-CB 4.31Å; F484-I539 WeakPolarHBondContact CD2-O 3.27Å; F484-I539 PolarHBondContact N-O 3.29Å; F484-I539 PolarHBondContact O-N 3.08Å; Y487-I539 WeakPolarHBondContact O-CD1 3.43Å; F491-I539 HydrophobicContact CE1-CD1 4.41Å; F491-I539 HydrophobicContact CE1-CG1 4.4Å; L521-I539 HydrophobicContact CD1-CG2 4.27Å; V524-I539 HydrophobicContact CG1-CD1 3.82Å; V524-I539 HydrophobicContact CG1-CG1 4.06Å; F528-I539 HydrophobicContact CE2-CD1 4.2Å; I539-V556 HydrophobicContact CG2-CG1 3.36Å; I539-E557 CarbonylContact C-O 3.5Å; I539-E557 WeakPolarHBondContact CA-O 3.49Å
540	K	95.9	Very high	93.8	Very high	51 Å²	51	45.9 Å²	45.9	22%	0.222	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.1	179.5	-67.1	-178.7	-167.7	174	0	110.3	V481 I482 T483 V556 E557 V559	V481-K540 HydrophobicContact CG1-CB 3.94Å; V481-K540 HydrophobicContact CG1-CG 4.32Å; I482-K540 WeakPolarHBondContact O-CA 3.38Å; T483-K540 HydrophobicContact CG2-CD 4.44Å; T483-K540 HydrophobicContact CG2-CG 3.68Å; K540-V556 CarbonylContact O-C 3.4Å; K540-V556 VanDerWaalsContact O-CA 3.3Å; K540-V556 WeakPolarHBondContact O-CA 3.39Å; K540-E557 HydrophobicContact CB-CG 4.27Å; K540-E557 PolarHBondContact N-O 3.15Å; K540-E557 PolarHBondContact O-N 3.44Å; K540-V559 HydrophobicContact CD-CG2 3.71Å; K540-V559 HydrophobicContact CG-CG2 4.13Å
541	A	97.1	Very high	94.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.7	174.4	0	0	0	0	0	110.1	V481 I482 F484 F493 F543 L553 V556	V481-A541 WeakPolarHBondContact CA-O 3.23Å; I482-A541 PolarHBondContact N-O 3.32Å; I482-A541 PolarHBondContact O-N 3.06Å; F484-A541 HydrophobicContact CE2-CB 3.86Å; F493-A541 HydrophobicContact CE1-CB 4.47Å; F493-A541 HydrophobicContact CZ-CB 4.21Å; A541-F543 HydrophobicContact CB-CE2 3.73Å; A541-F543 HydrophobicContact CB-CZ 3.84Å; A541-F543 WeakPolarHBondContact O-CD2 3.46Å; A541-F543 WeakPolarHBondContact O-CE2 3.46Å; A541-L553 HydrophobicContact CB-CD1 4.16Å; A541-V556 HydrophobicContact CB-CG2 4.01Å
542	H	97.6	Very high	94.6	Very high	55 Å²	55	40.7 Å²	40.7	26%	0.255	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	108.7	-171.4	-63.5	-106.3	0	0	0	110.9	V481 L553 D554 R555 E557	V481-H542 WeakPolarHBondContact CG2-CE1 3.35Å; V481-H542 WeakPolarHBondContact CG2-ND1 3.24Å; H542-L553 WeakPolarHBondContact O-CD1 3.46Å; H542-D554 PolarHBondContact O-N 3.18Å; H542-R555 HydrophobicContact CB-CG 4.03Å; H542-R555 PolarHBondContact N-O 3.4Å; H542-E557 IonicContact NE2-OE1 2.69Å
543	F	97.9	Very high	95.1	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.3	179.7	-54.6	-85.2	0	0	0	110.6	V447 L469 F470 R479 K480 I482 F493 I495 A541 S552 L553	V447-F543 HydrophobicContact CG2-CE1 4.28Å; V447-F543 HydrophobicContact CG2-CE2 4.11Å; V447-F543 HydrophobicContact CG2-CZ 3.75Å; L469-F543 HydrophobicContact CD1-CB 4.01Å; L469-F543 HydrophobicContact CD1-CD1 3.72Å; L469-F543 HydrophobicContact CD1-CD2 3.87Å; L469-F543 HydrophobicContact CD1-CE1 4.13Å; L469-F543 HydrophobicContact CD1-CE2 4.27Å; L469-F543 HydrophobicContact CD1-CG 3.57Å; L469-F543 HydrophobicContact CD1-CZ 4.39Å; L469-F543 HydrophobicContact CD2-CD2 3.59Å; L469-F543 HydrophobicContact CD2-CE2 3.94Å; L469-F543 HydrophobicContact CD2-CG 4.12Å; L469-F543 HydrophobicContact CG-CD2 4.42Å; F470-F543 HydrophobicContact CE2-CB 4.38Å; F470-F543 HydrophobicContact CZ-CB 4.27Å; R479-F543 VanDerWaalsContact CA-O 3.32Å; R479-F543 WeakPolarHBondContact CA-O 3.33Å; K480-F543 PolarHBondContact N-O 3.02Å; K480-F543 PolarHBondContact O-N 2.95Å; I482-F543 HydrophobicContact CB-CE2 4.08Å; I482-F543 HydrophobicContact CG1-CD2 4.35Å; I482-F543 HydrophobicContact CG1-CE2 3.85Å; F493-F543 HydrophobicContact CE2-CE1 4.07Å; F493-F543 AromaticContact CE2-CZ 3.79Å; F493-F543 HydrophobicContact CE2-CZ 3.79Å; F493-F543 HydrophobicContact CZ-CE1 4.4Å; F493-F543 AromaticContact CZ-CZ 3.99Å; F493-F543 HydrophobicContact CZ-CZ 3.99Å; I495-F543 HydrophobicContact CD1-CD1 4.18Å; I495-F543 HydrophobicContact CD1-CE1 3.62Å; I495-F543 HydrophobicContact CG1-CE1 4.33Å; A541-F543 HydrophobicContact CB-CE2 3.73Å; A541-F543 HydrophobicContact CB-CZ 3.84Å; A541-F543 WeakPolarHBondContact O-CD2 3.46Å; A541-F543 WeakPolarHBondContact O-CE2 3.46Å; F543-S552 WeakPolarHBondContact CA-O 3.02Å; F543-L553 HydrophobicContact CD1-CB 4.39Å; F543-L553 HydrophobicContact CD1-CD1 4Å; F543-L553 HydrophobicContact CE1-CB 4.46Å; F543-L553 HydrophobicContact CE1-CD1 3.78Å; F543-L553 HydrophobicContact CZ-CD1 4.17Å
544	N	97.8	Very high	95.4	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.107	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.4	177	174.9	88.9	0	0	0	108.5	R479 S552 D554	R479-N544 HydrophobicContact CG-CB 4.07Å; R479-N544 VanDerWaalsContact CG-OD1 3.23Å; R479-N544 WeakPolarHBondContact CG-OD1 3.34Å; R479-N544 PolarHBondContact NE-OD1 2.85Å; N544-S552 WeakPolarHBondContact CB-OG 3.44Å; N544-S552 PolarHBondContact N-O 3.5Å; N544-S552 PolarHBondContact ND2-OG 3.16Å; N544-S552 PolarHBondContact O-N 2.91Å; N544-S552 PolarHBondContact O-OG 3.27Å; N544-D554 VanDerWaalsContact CB-OD2 3.23Å; N544-D554 WeakPolarHBondContact CB-OD2 3.32Å
545	L	97.8	Very high	95.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.5	168.8	-173.8	69.6	0	0	0	106.3	V441 I445 F470 Y476 P477 Q478 G549 L551	V441-L545 HydrophobicContact CG2-CD2 3.48Å; V441-L545 VanDerWaalsContact CG2-CD2 3.48Å; I445-L545 HydrophobicContact CD1-CD1 4.48Å; F470-L545 HydrophobicContact CB-CD2 4.28Å; F470-L545 HydrophobicContact CD1-CB 4.31Å; F470-L545 HydrophobicContact CD1-CD2 4.22Å; F470-L545 HydrophobicContact CD2-CB 4.2Å; F470-L545 HydrophobicContact CD2-CD2 4.19Å; F470-L545 HydrophobicContact CE1-CB 3.99Å; F470-L545 HydrophobicContact CE2-CB 3.88Å; F470-L545 HydrophobicContact CG-CB 4.42Å; F470-L545 HydrophobicContact CG-CD2 3.95Å; F470-L545 HydrophobicContact CZ-CB 3.77Å; Y476-L545 HydrophobicContact CG-CD2 4.4Å; P477-L545 CarbonylContact C-O 3.48Å; P477-L545 VanDerWaalsContact CA-O 3.25Å; P477-L545 WeakPolarHBondContact CA-O 3.13Å; P477-L545 WeakPolarHBondContact CB-O 3.42Å; Q478-L545 PolarHBondContact N-O 3.14Å; Q478-L545 PolarHBondContact O-N 3.18Å; L545-G549 WeakPolarHBondContact CD1-O 3.44Å; L545-L551 HydrophobicContact CD1-CB 4.36Å
546	D	97.2	Very high	96.1	Very high	38 Å²	38	32.7 Å²	32.7	20%	0.203	17%	0.165	C	C	.	.			trans	-76.4	180	-168.7	72.8	8.9	0	0	0	113.6	Y476 S548 G549 V550	Y476-D546 WeakPolarHBondContact CD2-O 3.3Å; D546-S548 PolarHBondContact O-N 3.4Å; D546-S548 VanDerWaalsContact O-N 3.13Å; D546-S548 VanDerWaalsContact OD1-CA 3.25Å; D546-S548 WeakPolarHBondContact OD1-CA 3.4Å; D546-S548 WeakPolarHBondContact OD1-CB 3.4Å; D546-S548 PolarHBondContact OD1-N 3.24Å; D546-G549 PolarHBondContact O-N 3.18Å; D546-G549 PolarHBondContact OD1-N 3.13Å; D546-G549 VanDerWaalsContact OD1-N 3.17Å; D546-V550 PolarHBondContact N-O 3.16Å; D546-V550 VanDerWaalsContact N-O 3.15Å; D546-V550 PolarHBondContact OD1-N 2.69Å
547	E	96.1	Very high	96.3	Very high	97 Å²	97	32 Å²	32	45%	0.453	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21	176.9	-66.2	74.4	-168	0	0	112.7	Q201 P477 G549	Q201-E547 HydrophobicContact CG-CB 4.07Å; Q201-E547 WeakPolarHBondContact CG-O 3.39Å; Q201-E547 PolarHBondContact NE2-O 3.49Å; P477-E547 HydrophobicContact CB-CG 4.45Å; P477-E547 HydrophobicContact CG-CG 4.09Å; E547-G549 VanDerWaalsContact C-N 3.3Å
548	S	98	Very high	96.4	Very high	10 Å²	10	30.5 Å²	30.5	7%	0.07	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.2	175.9	-55.8	0	0	0	0	113.3	R185 Q201 L202 D546 V550	R185-S548 PolarHBondContact NH1-O 3.27Å; Q201-S548 WeakPolarHBondContact CA-OG 2.98Å; L202-S548 PolarHBondContact N-OG 3.29Å; L202-S548 WeakPolarHBondContact O-CA 3.46Å; D546-S548 PolarHBondContact O-N 3.4Å; D546-S548 VanDerWaalsContact O-N 3.13Å; D546-S548 VanDerWaalsContact OD1-CA 3.25Å; D546-S548 WeakPolarHBondContact OD1-CA 3.4Å; D546-S548 WeakPolarHBondContact OD1-CB 3.4Å; D546-S548 PolarHBondContact OD1-N 3.24Å; S548-V550 VanDerWaalsContact C-N 3.25Å
549	G	97.4	Very high	96.4	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	16%	0.161	C	C	.	.	S	Bend	trans	69.3	23.7	-170.4	0	0	0	0	0	112.4	Q182 Y476 L545 D546 E547	Q182-G549 PolarHBondContact NE2-O 3.28Å; Y476-G549 VanDerWaalsContact CE2-CA 3.48Å; Y476-G549 VanDerWaalsContact CE2-N 3.32Å; L545-G549 WeakPolarHBondContact CD1-O 3.44Å; D546-G549 PolarHBondContact O-N 3.18Å; D546-G549 PolarHBondContact OD1-N 3.13Å; D546-G549 VanDerWaalsContact OD1-N 3.17Å; E547-G549 VanDerWaalsContact C-N 3.3Å
550	V	98.1	Very high	96.2	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.079	17%	0.168	C	C	.	.			trans	-98.6	128.3	-177.8	178.9	0	0	0	0	110.3	R185 R186 L189 D546 S548	R185-V550 HydrophobicContact CB-CG2 4.1Å; R186-V550 HydrophobicContact CG-CG1 4.49Å; L189-V550 HydrophobicContact CD1-CG2 4.17Å; D546-V550 PolarHBondContact N-O 3.16Å; D546-V550 VanDerWaalsContact N-O 3.15Å; D546-V550 PolarHBondContact OD1-N 2.69Å; S548-V550 VanDerWaalsContact C-N 3.25Å
551	L	98	Very high	95.9	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.8	179.8	-178.7	72.4	0	0	0	111.1	R186 I445 F470 I495 L516 L545	R186-L551 PolarHBondContact NH2-O 2.98Å; I445-L551 HydrophobicContact CD1-CB 4.31Å; I445-L551 HydrophobicContact CD1-CD2 4.39Å; I445-L551 HydrophobicContact CG2-CD2 4.06Å; F470-L551 HydrophobicContact CD2-CD1 4.3Å; F470-L551 HydrophobicContact CE2-CD1 3.62Å; I495-L551 HydrophobicContact CD1-CD2 4.18Å; I495-L551 HydrophobicContact CG2-CD2 3.83Å; L516-L551 HydrophobicContact CD1-CD2 3.99Å; L545-L551 HydrophobicContact CD1-CB 4.36Å
552	S	97.3	Very high	95.2	Very high	36 Å²	36	39.5 Å²	39.5	25%	0.252	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146	170.9	50.1	0	0	0	0	111.4	F543 N544	F543-S552 WeakPolarHBondContact CA-O 3.02Å; N544-S552 WeakPolarHBondContact CB-OG 3.44Å; N544-S552 PolarHBondContact N-O 3.5Å; N544-S552 PolarHBondContact ND2-OG 3.16Å; N544-S552 PolarHBondContact O-N 2.91Å; N544-S552 PolarHBondContact O-OG 3.27Å
553	L	96.7	Very high	93.8	Very high	38 Å²	38	43 Å²	43	20%	0.199	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	101.6	165	170.9	59.8	0	0	0	106.3	F493 V519 A541 H542 F543 V556	F493-L553 HydrophobicContact CZ-CD2 4.05Å; V519-L553 HydrophobicContact CG1-CD2 3.95Å; V519-L553 HydrophobicContact CG2-CD2 3.83Å; A541-L553 HydrophobicContact CB-CD1 4.16Å; H542-L553 WeakPolarHBondContact O-CD1 3.46Å; F543-L553 HydrophobicContact CD1-CB 4.39Å; F543-L553 HydrophobicContact CD1-CD1 4Å; F543-L553 HydrophobicContact CE1-CB 4.46Å; F543-L553 HydrophobicContact CE1-CD1 3.78Å; F543-L553 HydrophobicContact CZ-CD1 4.17Å; L553-V556 HydrophobicContact CD1-CG2 3.86Å; L553-V556 HydrophobicContact CD2-CG2 3.98Å; L553-V556 HydrophobicContact CG-CG2 4.21Å
554	D	95.3	Very high	92.6	Very high	81 Å²	81	48.4 Å²	48.4	43%	0.433	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-43.9	-169.7	-81	-28.8	0	0	0	112.1	H542 N544	H542-D554 PolarHBondContact O-N 3.18Å; N544-D554 VanDerWaalsContact CB-OD2 3.23Å; N544-D554 WeakPolarHBondContact CB-OD2 3.32Å
555	R	94.4	Very high	90.7	Very high	116 Å²	116	55.7 Å²	55.7	44%	0.438	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	160.5	176.7	72.4	-171.8	-160.9	-133.6	9.2	112.1	H542 E557	H542-R555 HydrophobicContact CB-CG 4.03Å; H542-R555 PolarHBondContact N-O 3.4Å; R555-E557 WeakPolarHBondContact CD-OE2 3.26Å; R555-E557 IonicContact CZ-OE1 2.77Å; R555-E557 IonicContact CZ-OE2 3.7Å; R555-E557 IonicContact NE-OE1 2.75Å; R555-E557 PolarHBondContact NE-OE1 3.31Å; R555-E557 IonicContact NE-OE2 3.97Å; R555-E557 PolarHBondContact NE-OE2 2.93Å; R555-E557 IonicContact NH2-OE1 2.7Å; R555-E557 PolarHBondContact NH2-OE1 3.35Å; R555-E557 IonicContact NH2-OE2 3.81Å; R555-E557 PolarHBondContact NH2-OE2 2.94Å
556	V	95.6	Very high	88.5	Confident	9 Å²	9	63.2 Å²	63.2	6%	0.055	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.4	165.1	-176.1	0	0	0	0	107.7	L521 I539 K540 A541 L553 V672	L521-V556 HydrophobicContact CD1-CG1 3.95Å; L521-V556 HydrophobicContact CD2-CB 4.16Å; L521-V556 HydrophobicContact CD2-CG1 3.88Å; L521-V556 HydrophobicContact CD2-CG2 4.05Å; I539-V556 HydrophobicContact CG2-CG1 3.36Å; K540-V556 CarbonylContact O-C 3.4Å; K540-V556 VanDerWaalsContact O-CA 3.3Å; K540-V556 WeakPolarHBondContact O-CA 3.39Å; A541-V556 HydrophobicContact CB-CG2 4.01Å; L553-V556 HydrophobicContact CD1-CG2 3.86Å; L553-V556 HydrophobicContact CD2-CG2 3.98Å; L553-V556 HydrophobicContact CG-CG2 4.21Å; V556-V672 HydrophobicContact CB-CG2 4.45Å; V556-V672 HydrophobicContact CG2-CG2 4.42Å
557	E	94.4	Very high	85.9	Confident	22 Å²	22	65.5 Å²	65.5	10%	0.103	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	137.8	-176.5	62.2	-165.2	-169.1	0	0	112	I539 K540 H542 R555 V559	I539-E557 CarbonylContact C-O 3.5Å; I539-E557 WeakPolarHBondContact CA-O 3.49Å; K540-E557 HydrophobicContact CB-CG 4.27Å; K540-E557 PolarHBondContact N-O 3.15Å; K540-E557 PolarHBondContact O-N 3.44Å; H542-E557 IonicContact NE2-OE1 2.69Å; R555-E557 WeakPolarHBondContact CD-OE2 3.26Å; R555-E557 IonicContact CZ-OE1 2.77Å; R555-E557 IonicContact CZ-OE2 3.7Å; R555-E557 IonicContact NE-OE1 2.75Å; R555-E557 PolarHBondContact NE-OE1 3.31Å; R555-E557 IonicContact NE-OE2 3.97Å; R555-E557 PolarHBondContact NE-OE2 2.93Å; R555-E557 IonicContact NH2-OE1 2.7Å; R555-E557 PolarHBondContact NH2-OE1 3.35Å; R555-E557 IonicContact NH2-OE2 3.81Å; R555-E557 PolarHBondContact NH2-OE2 2.94Å; E557-V559 HydrophobicContact CG-CG2 4.28Å
558	S	93.1	Very high	83.8	Confident	29 Å²	29	66.2 Å²	66.2	20%	0.203	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.9	166.4	-54.9	0	0	0	0	108.6	S527 F560	S527-S558 WeakPolarHBondContact OG-CB 3.25Å; S527-S558 PolarHBondContact OG-OG 2.95Å; S558-F560 VanDerWaalsContact CB-CE2 3.49Å
559	V	92.9	Very high	81.3	Confident	27 Å²	27	73.8 Å²	73.8	16%	0.164	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.2	176.7	-178	0	0	0	0	109.9	S536 K537 G538 K540 E557	S536-V559 CarbonylContact C-O 3.57Å; S536-V559 WeakPolarHBondContact CA-O 3.32Å; S536-V559 PolarHBondContact OG-O 3.1Å; K537-V559 HydrophobicContact CB-CB 4.24Å; K537-V559 HydrophobicContact CB-CG1 4.03Å; K537-V559 HydrophobicContact CG-CG1 4.47Å; K537-V559 PolarHBondContact N-O 2.79Å; G538-V559 PolarHBondContact O-N 3.04Å; K540-V559 HydrophobicContact CD-CG2 3.71Å; K540-V559 HydrophobicContact CG-CG2 4.13Å; E557-V559 HydrophobicContact CG-CG2 4.28Å
560	F	91.3	Very high	78.9	Confident	37 Å²	37	82.4 Å²	82.4	16%	0.162	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137	177.7	-64.2	-84.5	0	0	0	108.2	F528 Y531 Y534 E535 S558	F528-F560 AromaticContact CD1-CE1 3.95Å; F528-F560 HydrophobicContact CD1-CE1 3.95Å; F528-F560 HydrophobicContact CD1-CZ 4.3Å; F528-F560 HydrophobicContact CD2-CE1 4.44Å; F528-F560 AromaticContact CD2-CZ 3.98Å; F528-F560 HydrophobicContact CD2-CZ 3.98Å; F528-F560 HydrophobicContact CE1-CE1 4.13Å; F528-F560 HydrophobicContact CE2-CZ 4.23Å; F528-F560 HydrophobicContact CG-CE1 4.12Å; F528-F560 HydrophobicContact CG-CZ 4.02Å; F528-F560 HydrophobicContact CZ-CE1 4.45Å; Y531-F560 AromaticContact CD2-CD2 3.99Å; Y531-F560 HydrophobicContact CD2-CD2 3.99Å; Y531-F560 HydrophobicContact CD2-CE2 4.08Å; Y531-F560 HydrophobicContact CG-CD2 4.3Å; Y531-F560 HydrophobicContact CG-CG 4.45Å; Y534-F560 HydrophobicContact CG-CB 4.49Å; E535-F560 CarbonylContact O-C 3.57Å; E535-F560 WeakPolarHBondContact O-CA 3.05Å; S558-F560 VanDerWaalsContact CB-CE2 3.49Å
561	E	89.6	Confident	76.2	Confident	95 Å²	95	88.6 Å²	88.6	44%	0.444	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141	-179.9	-71.8	175.3	-163.1	0	0	109.9	E535 K537	E535-E561 PolarHBondContact N-O 3Å; E535-E561 PolarHBondContact O-N 3.4Å; K537-E561 WeakPolarHBondContact CE-OE2 3.38Å; K537-E561 HydrophobicContact CG-CB 4.37Å; K537-E561 VanDerWaalsContact CG-CD 3.45Å; K537-E561 HydrophobicContact CG-CG 3.93Å; K537-E561 WeakPolarHBondContact CG-OE1 3.38Å; K537-E561 IonicContact NZ-OE2 2.66Å
562	T	83.8	Confident	73.9	Confident	88 Å²	88	91.4 Å²	91.4	54%	0.54	49%	0.493	S	S	.	.			trans	-78.9	126.6	174.2	-46.7	0	0	0	0	108.7	Y534 V564	Y534-T562 VanDerWaalsContact CE1-OG1 3.24Å; Y534-T562 WeakPolarHBondContact CE1-OG1 3.28Å; T562-V564 VanDerWaalsContact C-N 3.35Å; T562-V564 HydrophobicContact CG2-CG2 4.45Å; T562-V564 PolarHBondContact O-N 3.25Å
563	L	67.9	Low	71.8	Confident	129 Å²	129	95 Å²	95	68%	0.675	51%	0.514	S	S	*	.			trans	-71.6	96.9	160.3	-65.9	176.9	0	0	0	107.7	E535 E565	E535-L563 HydrophobicContact CB-CG 4.5Å; L563-E565 PolarHBondContact O-N 3.26Å
564	V	71.7	Confident	69.6	Low	114 Å²	114	99.3 Å²	99.3	69%	0.691	54%	0.536	S	S	*	.			trans	-74.4	101.2	162.5	-179.2	0	0	0	0	105.9	T562 D566	T562-V564 VanDerWaalsContact C-N 3.35Å; T562-V564 HydrophobicContact CG2-CG2 4.45Å; T562-V564 PolarHBondContact O-N 3.25Å; V564-D566 PolarHBondContact O-N 3.04Å
565	E	58.2	Low	67.4	Low	172 Å²	172	99.3 Å²	99.3	80%	0.804	54%	0.54	S	S	*	.			trans	-61.5	124.7	158.8	-66.1	-171.7	152.2	0	0	107.2	L563 S567	L563-E565 PolarHBondContact O-N 3.26Å; E565-S567 PolarHBondContact O-N 2.86Å
566	D	51.2	Low	65	Low	161 Å²	161	99.2 Å²	99.2	86%	0.861	54%	0.543	S	S	*	.			trans	-65.3	87.9	169.1	-80.1	-41.3	0	0	0	108.2	V564 A568	V564-D566 PolarHBondContact O-N 3.04Å; D566-A568 PolarHBondContact O-N 2.88Å
567	S	43.7	Very low	62.9	Low	87 Å²	87	104.2 Å²	104.2	61%	0.608	57%	0.568	S	S	*	*			trans	-54.1	125.6	170.1	55.2	0	0	0	0	108.3	E565 E569	E565-S567 PolarHBondContact O-N 2.86Å; S567-E569 PolarHBondContact O-N 3.49Å
568	A	51.4	Low	60.7	Low	112 Å²	112	105.1 Å²	105.1	93%	0.926	58%	0.583	S	S	*	*			trans	-73.4	57	-174.6	0	0	0	0	0	113.2	D566	D566-A568 PolarHBondContact O-N 2.88Å
569	E	45.7	Very low	58.5	Low	168 Å²	168	109.1 Å²	109.1	79%	0.785	60%	0.603	S	S	*	*			trans	-102.6	98	176.4	-65.3	-161	157.6	0	0	110.4	S567	S567-E569 PolarHBondContact O-N 3.49Å
570	E	46.3	Very low	56.3	Low	188 Å²	188	112 Å²	112	88%	0.879	62%	0.62	S	S	*	*			trans	50.3	126.8	156.4	-52.6	-163.4	151.6	0	0	119.7	S572	E570-S572 PolarHBondContact O-N 3.36Å
571	E	41.3	Very low	54.4	Low	142 Å²	142	115.9 Å²	115.9	66%	0.664	64%	0.641	S	S	*	*			trans	-57	95.7	171.1	-74.1	-173.4	95.9	0	0	112.2	T573 K576	E571-T573 PolarHBondContact O-N 3.33Å; E571-K576 WeakPolarHBondContact OE1-CE 3.16Å; E571-K576 IonicContact OE1-NZ 3.86Å; E571-K576 PolarHBondContact OE1-NZ 2.82Å; E571-K576 VanDerWaalsContact OE1-NZ 3.16Å; E571-K576 IonicContact OE2-NZ 3.4Å; E571-K576 PolarHBondContact OE2-NZ 3.36Å
572	S	49.8	Very low	52.1	Low	68 Å²	68	115.1 Å²	115.1	48%	0.476	65%	0.647	S	S	.	*			trans	-54	129.6	173.1	-172.6	0	0	0	0	110.7	E570 L574 T575	E570-S572 PolarHBondContact O-N 3.36Å; S572-L574 PolarHBondContact O-N 3.02Å; S572-T575 PolarHBondContact O-N 2.96Å; S572-T575 PolarHBondContact O-OG1 2.94Å
573	T	53	Low	50.2	Low	112 Å²	112	115.5 Å²	115.5	69%	0.687	65%	0.653	S	S	*	*	H	α-helix	trans	-62.4	-17.2	-171.6	50.6	0	0	0	0	113.8	E571 T575	E571-T573 PolarHBondContact O-N 3.33Å; T573-T575 VanDerWaalsContact C-N 3.35Å
574	L	50.8	Low	49.1	Very low	128 Å²	128	115.7 Å²	115.7	67%	0.67	65%	0.654	S	S	*	*	H	α-helix	trans	-63.6	-34.6	172.7	-70.3	167.9	0	0	0	113	S572 K576 L577 G578	S572-L574 PolarHBondContact O-N 3.02Å; L574-K576 VanDerWaalsContact C-N 3.25Å; L574-K576 PolarHBondContact O-N 3.36Å; L574-L577 PolarHBondContact O-N 3.28Å; L574-L577 VanDerWaalsContact O-N 3.08Å; L574-G578 PolarHBondContact O-N 3.24Å; L574-G578 VanDerWaalsContact O-N 3.07Å
575	T	48.7	Very low	47.9	Very low	82 Å²	82	119.2 Å²	119.2	50%	0.503	66%	0.66	S	S	.	*	H	α-helix	trans	-64.7	-31.4	-177.3	-45.3	0	0	0	0	111.9	S572 T573 N579	S572-T575 PolarHBondContact O-N 2.96Å; S572-T575 PolarHBondContact O-OG1 2.94Å; T573-T575 VanDerWaalsContact C-N 3.35Å; T575-N579 PolarHBondContact O-N 2.79Å
576	K	45.5	Very low	46.7	Very low	114 Å²	114	114.9 Å²	114.9	50%	0.496	66%	0.662	S	S	.	*	H	α-helix	trans	-75.3	-23.4	176.3	-74.5	166.3	179.9	159.2	0	113.4	E571 L574 T580	E571-K576 WeakPolarHBondContact OE1-CE 3.16Å; E571-K576 IonicContact OE1-NZ 3.86Å; E571-K576 PolarHBondContact OE1-NZ 2.82Å; E571-K576 VanDerWaalsContact OE1-NZ 3.16Å; E571-K576 IonicContact OE2-NZ 3.4Å; E571-K576 PolarHBondContact OE2-NZ 3.36Å; L574-K576 VanDerWaalsContact C-N 3.25Å; L574-K576 PolarHBondContact O-N 3.36Å; K576-T580 PolarHBondContact O-OG1 2.69Å; K576-T580 VanDerWaalsContact O-OG1 3.08Å
577	L	49.8	Very low	45.7	Very low	113 Å²	113	111 Å²	111	59%	0.592	66%	0.66	S	S	*	*	H	α-helix	trans	-82.9	-33.5	172.9	-84	157.6	0	0	0	112.9	L574 T580	L574-L577 PolarHBondContact O-N 3.28Å; L574-L577 VanDerWaalsContact O-N 3.08Å; L577-T580 PolarHBondContact O-OG1 3.35Å
578	G	49.2	Very low	44.9	Very low	41 Å²	41	110.7 Å²	110.7	42%	0.423	67%	0.67	S	S	.	*	H	α-helix	trans	-64	-47.4	174.3	0	0	0	0	0	112.5	L574 T580 I581 S582	L574-G578 PolarHBondContact O-N 3.24Å; L574-G578 VanDerWaalsContact O-N 3.07Å; G578-T580 PolarHBondContact O-N 2.81Å; G578-T580 VanDerWaalsContact O-N 3.14Å; G578-I581 PolarHBondContact O-N 3.45Å; G578-I581 VanDerWaalsContact O-N 3.16Å; G578-S582 PolarHBondContact O-N 2.92Å
579	N	46.5	Very low	43.8	Very low	114 Å²	114	111.8 Å²	111.8	61%	0.61	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-5.7	-175.1	-71.5	-12.8	0	0	0	115.1	T575	T575-N579 PolarHBondContact O-N 2.79Å
580	T	48.1	Very low	42.9	Very low	87 Å²	87	110.6 Å²	110.6	53%	0.534	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-8.5	173.5	30.1	0	0	0	0	113.9	K576 L577 G578	K576-T580 PolarHBondContact O-OG1 2.69Å; K576-T580 VanDerWaalsContact O-OG1 3.08Å; L577-T580 PolarHBondContact O-OG1 3.35Å; G578-T580 PolarHBondContact O-N 2.81Å; G578-T580 VanDerWaalsContact O-N 3.14Å
581	I	51	Low	42.3	Very low	118 Å²	118	107.6 Å²	107.6	61%	0.605	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-35.2	177.5	-61.3	175.1	0	0	0	111	G578 S583 L584	G578-I581 PolarHBondContact O-N 3.45Å; G578-I581 VanDerWaalsContact O-N 3.16Å; I581-S583 PolarHBondContact O-N 3.44Å; I581-L584 PolarHBondContact O-N 2.97Å
582	S	40.9	Very low	41.8	Very low	80 Å²	80	108.2 Å²	108.2	56%	0.559	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-63.6	-24.4	179.1	49.3	0	0	0	0	114.1	G578 L584	G578-S582 PolarHBondContact O-N 2.92Å; S582-L584 VanDerWaalsContact C-N 3.29Å; S582-L584 PolarHBondContact O-N 2.74Å
583	S	43.6	Very low	40.7	Very low	95 Å²	95	109.6 Å²	109.6	66%	0.664	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-78.2	-3.2	177.6	57.2	0	0	0	0	115.1	I581	I581-S583 PolarHBondContact O-N 3.44Å
584	L	44.3	Very low	39.6	Very low	133 Å²	133	113.9 Å²	113.9	70%	0.696	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-103.6	-9.8	-174.6	-94.1	162.8	0	0	0	115.7	I581 S582	I581-L584 PolarHBondContact O-N 2.97Å; S582-L584 VanDerWaalsContact C-N 3.29Å; S582-L584 PolarHBondContact O-N 2.74Å
585	F	46.3	Very low	38.5	Very low	188 Å²	188	116.3 Å²	116.3	83%	0.825	71%	0.708	S	S	*	*	S	Bend	trans	-132.2	10.1	-174	-77.8	-82.3	0	0	0	115.2	G587	F585-G587 PolarHBondContact O-N 3.25Å; F585-G587 VanDerWaalsContact O-N 3.16Å
586	G	33.8	Very low	37.6	Very low	81 Å²	81	120 Å²	120	84%	0.835	72%	0.724	S	S	*	*			trans	-80.3	89.3	179.3	0	0	0	0	0	113.8
587	G	30.3	Very low	36.8	Very low	79 Å²	79	117 Å²	117	81%	0.814	73%	0.725	S	S	*	*			trans	-168.4	101.4	173.6	0	0	0	0	0	114.9	F585	F585-G587 PolarHBondContact O-N 3.25Å; F585-G587 VanDerWaalsContact O-N 3.16Å
588	G	27.4	Very low	35.9	Very low	81 Å²	81	116.5 Å²	116.5	84%	0.835	73%	0.727	S	S	*	*			trans	159.4	123.1	172.9	0	0	0	0	0	112.8
589	T	27.5	Very low	35.2	Very low	136 Å²	136	118.4 Å²	118.4	83%	0.834	73%	0.728	S	S	*	*			trans	-106.1	130.3	-174.7	49.1	0	0	0	0	112.8
590	T	27.6	Very low	34.5	Very low	143 Å²	143	117.6 Å²	117.6	88%	0.877	73%	0.727	S	S	*	*			trans	-178.9	142.6	138.2	15.4	0	0	0	0	111.1
591	P	33.4	Very low	34	Very low	124 Å²	124	116.4 Å²	116.4	81%	0.805	72%	0.719	S	S	*	*			trans	-100.6	129.2	175.2	35.7	-28.8	0	0	0	112.3
592	D	30.1	Very low	32.9	Very low	155 Å²	155	118.9 Å²	118.9	83%	0.829	73%	0.728	S	S	*	*			trans	-162.2	99.1	154	-145.7	-17.4	0	0	0	111.8
593	A	27.5	Very low	32.4	Very low	98 Å²	98	120.8 Å²	120.8	81%	0.81	73%	0.729	S	S	*	*			trans	-151.9	112.9	176.1	0	0	0	0	0	110.9
594	K	29.5	Very low	31.6	Very low	202 Å²	202	125.9 Å²	125.9	88%	0.878	74%	0.742	S	S	*	*			trans	-76.3	136.8	-179.6	-65.3	-174.8	176.5	-174	0	112
595	E	27.7	Very low	30.8	Very low	179 Å²	179	129 Å²	129	84%	0.836	75%	0.753	S	S	*	*			trans	-68.9	151.8	176.3	-60.4	-177.6	115.7	0	0	113.1	G597	E595-G597 PolarHBondContact O-N 3.36Å
596	N	28.7	Very low	29.7	Very low	159 Å²	159	129.6 Å²	129.6	85%	0.85	76%	0.758	S	S	*	*			trans	-81.6	91.1	152.2	-79.3	-35.4	0	0	0	107.7	T598	N596-T598 PolarHBondContact O-N 2.79Å; N596-T598 PolarHBondContact O-OG1 3.2Å
597	G	29.3	Very low	29.3	Very low	50 Å²	50	131.2 Å²	131.2	52%	0.515	76%	0.757	S	S	.	*			trans	-51.3	114.1	-178.5	0	0	0	0	0	112.3	E595	E595-G597 PolarHBondContact O-N 3.36Å
598	T	31.9	Very low	29.5	Very low	104 Å²	104	133.7 Å²	133.7	64%	0.638	76%	0.759	S	S	*	*			trans	-106.9	95.9	178.5	-58.8	0	0	0	0	107.5	N596 T600	N596-T598 PolarHBondContact O-N 2.79Å; N596-T598 PolarHBondContact O-OG1 3.2Å; T598-T600 VanDerWaalsContact C-N 3.34Å; T598-T600 PolarHBondContact O-N 2.7Å
599	D	33.8	Very low	29.3	Very low	80 Å²	80	134.8 Å²	134.8	43%	0.428	76%	0.76	S	S	.	*			trans	-68.8	84	-170.3	-58.7	-48.3	0	0	0	111.6	K480	K480-D599 IonicContact NZ-OD2 3.36Å; K480-D599 PolarHBondContact NZ-OD2 2.66Å
600	T	32.5	Very low	29.2	Very low	98 Å²	98	137.9 Å²	137.9	60%	0.601	77%	0.765	S	S	*	*			trans	-71.5	139.4	174.6	41.5	0	0	0	0	111.6	T598 Q602	T598-T600 VanDerWaalsContact C-N 3.34Å; T598-T600 PolarHBondContact O-N 2.7Å; T600-Q602 PolarHBondContact O-N 3.46Å
601	V	36.2	Very low	29.1	Very low	61 Å²	61	134.8 Å²	134.8	37%	0.37	76%	0.761	S	S	.	*			trans	-85.1	92.6	177.5	-176.3	0	0	0	0	110
602	Q	28.9	Very low	28.7	Very low	170 Å²	170	134.7 Å²	134.7	79%	0.794	76%	0.764	S	S	*	*			trans	-115	168.5	159	-74.4	179.5	-28.1	0	0	109.5	T600	T600-Q602 PolarHBondContact O-N 3.46Å
603	E	29.9	Very low	28.5	Very low	121 Å²	121	135.9 Å²	135.9	57%	0.565	76%	0.762	S	S	*	*			trans	-122.3	134.4	-168.6	-67.5	172.5	128.7	0	0	108.5	K463	K463-E603 IonicContact NZ-OE1 3.72Å; K463-E603 PolarHBondContact NZ-OE1 2.89Å
604	E	27.1	Very low	28.4	Very low	201 Å²	201	138.9 Å²	138.9	94%	0.939	76%	0.764	S	S	*	*			trans	-115.4	140.5	171.2	-70.2	-176.4	147.5	0	0	108.5
605	E	26.5	Very low	28.2	Very low	198 Å²	198	138 Å²	138	93%	0.925	76%	0.763	S	S	*	*			trans	-108.7	126.8	178.1	-63.8	-173.7	134.8	0	0	110.2
606	E	24.7	Very low	28.7	Very low	201 Å²	201	134.9 Å²	134.9	94%	0.939	76%	0.758	S	S	*	*			trans	-96.4	136.8	166.8	-77.3	-166.9	130.7	0	0	111.1
607	S	25.4	Very low	28.5	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	75%	0.754	S	S	*	*			trans	-146.6	150.2	156.1	58.5	0	0	0	0	110.5
608	P	33.4	Very low	28.3	Very low	132 Å²	132	137.9 Å²	137.9	86%	0.857	77%	0.774	S	S	*	*			trans	-102.7	169.6	-154.7	39.2	-36.9	0	0	0	115.1
609	A	24.5	Very low	27.9	Very low	104 Å²	104	141.5 Å²	141.5	86%	0.86	78%	0.783	S	S	*	*			trans	-139.6	142.5	164.4	0	0	0	0	0	111.3
610	E	24.5	Very low	27.6	Very low	200 Å²	200	143.4 Å²	143.4	94%	0.935	80%	0.798	S	S	*	*			trans	-108	155.2	179.4	-64.2	-176.2	110.8	0	0	112.5
611	G	25.6	Very low	27.4	Very low	78 Å²	78	146.3 Å²	146.3	80%	0.804	81%	0.805	S	S	*	*			trans	88.5	152.4	159.3	0	0	0	0	0	116.4
612	S	24.7	Very low	26.9	Very low	123 Å²	123	150.5 Å²	150.5	86%	0.86	82%	0.824	S	S	*	*			cis	-153	170.9	-6	59.9	0	0	0	0	111.9
613	K	26.5	Very low	26.7	Very low	180 Å²	180	152.4 Å²	152.4	78%	0.783	83%	0.83	S	S	*	*			trans	-59.6	156.5	-178.7	-51.9	170.7	178.9	177.9	0	113.8
614	D	25.8	Very low	26.5	Very low	161 Å²	161	155.1 Å²	155.1	86%	0.861	84%	0.842	S	S	*	*				-169.9	165.8	97.4	-91.6	-22.3	0	0	0	113.3
615	E	24.8	Very low	26.5	Very low	182 Å²	182	154.2 Å²	154.2	85%	0.85	84%	0.838	S	S	*	*			trans	-120.7	-171.5	-174.3	-127.2	-176	-140.4	0	0	108.3
616	P	38.5	Very low	26.5	Very low	114 Å²	114	149.2 Å²	149.2	74%	0.74	83%	0.831	S	S	*	*			cis	-135.3	-170	-16.8	36.1	-15.5	0	0	0	114.2
617	G	23.7	Very low	26.7	Very low	75 Å²	75	149 Å²	149	77%	0.773	83%	0.829	S	S	*	*			trans	110.2	147.1	158.4	0	0	0	0	0	115.7
618	E	25.2	Very low	26.8	Very low	198 Å²	198	147.7 Å²	147.7	93%	0.925	83%	0.826	S	S	*	*			cis	-150.8	176.9	-5	-162.6	165.3	-157.6	0	0	109.8
619	Q	23.7	Very low	27.4	Very low	179 Å²	179	147 Å²	147	84%	0.836	82%	0.821	S	S	*	*			trans	-84.8	167.6	-173	-61.3	172.9	-14.7	0	0	113.8
620	V	28	Very low	27.7	Very low	120 Å²	120	147.7 Å²	147.7	73%	0.727	82%	0.815	S	S	*	*				163	125.2	120.2	157.9	0	0	0	0	113.2
621	E	27.4	Very low	28	Very low	160 Å²	160	146.9 Å²	146.9	75%	0.748	81%	0.811	S	S	*	*			trans	38	115.6	144.6	-57.1	-170.8	139.3	0	0	121.4
622	L	25.2	Very low	28.2	Very low	148 Å²	148	150.8 Å²	150.8	78%	0.775	81%	0.813	S	S	*	*				71.7	123	82.5	-71.1	169.7	0	0	0	116.8
623	K	25.8	Very low	28.4	Very low	211 Å²	211	147.2 Å²	147.2	92%	0.917	80%	0.796	S	S	*	*				-165.9	162.9	123.3	-109.8	169.1	-176	178.6	0	114
624	E	25.8	Very low	28.5	Very low	177 Å²	177	144.9 Å²	144.9	83%	0.827	80%	0.802	S	S	*	*			trans	-110.2	-164.1	-165.9	-61	169.1	96.3	0	0	113.2
625	E	26.4	Very low	28.6	Very low	183 Å²	183	145.8 Å²	145.8	86%	0.855	80%	0.801	S	S	*	*			trans	90.8	114.6	172.8	-55.8	-178.3	158.8	0	0	114.2
626	A	26.8	Very low	29.9	Very low	93 Å²	93	142 Å²	142	77%	0.769	79%	0.793	S	S	*	*				76.3	139.9	57.9	0	0	0	0	0	112.3
627	E	28.2	Very low	30.6	Very low	195 Å²	195	142 Å²	142	91%	0.911	79%	0.792	S	S	*	*			cis	-151.2	-170.3	6.3	-139.5	172.6	-169.6	0	0	111
628	A	28.3	Very low	32.3	Very low	88 Å²	88	143.5 Å²	143.5	73%	0.727	79%	0.788	S	S	*	*			trans	-97.4	-157.3	-179.3	0	0	0	0	0	111.8
629	P	46.1	Very low	33.1	Very low	118 Å²	118	140 Å²	140	77%	0.766	78%	0.783	S	S	*	*			cis	-141.5	-139.3	-2.6	43.9	-21.4	0	0	0	115
630	V	30.6	Very low	33.4	Very low	118 Å²	118	139.9 Å²	139.9	72%	0.715	78%	0.783	S	S	*	*			trans	89	111.8	173.2	-170.9	0	0	0	0	114.7
631	E	30.1	Very low	34.6	Very low	183 Å²	183	139 Å²	139	86%	0.855	78%	0.779	S	S	*	*				68.3	144.2	71.3	-86.1	-179.8	-176.4	0	0	114.6
632	D	30.8	Very low	34.7	Very low	161 Å²	161	141.3 Å²	141.3	86%	0.861	79%	0.787	S	S	*	*			cis	-158.9	173.4	-1.6	170.4	42.3	0	0	0	109.1
633	G	28.6	Very low	34.8	Very low	48 Å²	48	137.7 Å²	137.7	50%	0.495	79%	0.785	S	S	.	*			trans	127.3	96.9	139.3	0	0	0	0	0	122.6
634	S	28.6	Very low	35	Very low	130 Å²	130	135.7 Å²	135.7	91%	0.909	78%	0.784	S	S	*	*			trans	81.8	163.3	131.9	80.7	0	0	0	0	124.6
635	Q	29.1	Very low	35.1	Very low	180 Å²	180	132.1 Å²	132.1	84%	0.841	79%	0.785	S	S	*	*			trans	-158.5	179	-174.8	-110.5	-167.1	15.5	0	0	107.5
636	P	52	Low	35.3	Very low	103 Å²	103	129.9 Å²	129.9	67%	0.669	78%	0.784	S	S	*	*			cis	-125.7	-123.6	-24.5	31.1	-6.1	0	0	0	108.3
637	P	53	Low	36	Very low	113 Å²	113	130.7 Å²	130.7	73%	0.734	78%	0.781	S	S	*	*			cis	-120.9	-99.6	-31.5	23.6	3.4	0	0	0	116.6
638	P	58.4	Low	36	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	78%	0.781	S	S	*	*			trans	-134.3	-175.8	-141.8	46.2	-24.5	0	0	0	116.3
639	P	41.4	Very low	35.9	Very low	124 Å²	124	130.2 Å²	130.2	81%	0.805	79%	0.785	S	S	*	*				-149.2	170.5	84.1	40.8	-22.8	0	0	0	117
640	E	31.3	Very low	35	Very low	178 Å²	178	133.8 Å²	133.8	83%	0.832	79%	0.791	S	S	*	*			trans	-105.4	-158.4	162.5	-37.7	177.9	133.6	0	0	110
641	P	52.7	Low	34.7	Very low	101 Å²	101	138 Å²	138	66%	0.656	80%	0.8	S	S	*	*			cis	-131.2	-176.6	-30.5	28.9	-7.9	0	0	0	113.4
642	K	30	Very low	34.5	Very low	209 Å²	209	134 Å²	134	91%	0.909	80%	0.798	S	S	*	*			trans	137.3	149.9	154.5	-77	160.2	-172.1	176.8	0	111.4
643	G	27.8	Very low	34.2	Very low	71 Å²	71	132.7 Å²	132.7	73%	0.732	80%	0.796	S	S	*	*			cis	-178.2	173.7	-1.3	0	0	0	0	0	111.2
644	D	28.8	Very low	34	Very low	170 Å²	170	139.5 Å²	139.5	91%	0.909	82%	0.815	S	S	*	*			trans	-46.6	146.6	-169.5	-57	-59.6	0	0	0	118.5
645	A	29.3	Very low	33.9	Very low	101 Å²	101	143.4 Å²	143.4	84%	0.835	82%	0.816	S	S	*	*				-175.5	137.8	120.4	0	0	0	0	0	114.9
646	T	29.7	Very low	33.7	Very low	137 Å²	137	144 Å²	144	84%	0.84	82%	0.818	S	S	*	*			trans	-126.1	167.4	150.3	41.2	0	0	0	0	106.1
647	P	42.4	Very low	32.5	Very low	110 Å²	110	147.3 Å²	147.3	71%	0.714	83%	0.831	S	S	*	*			cis	-147.6	-153.3	31.9	34.9	-7.6	0	0	0	115.7
648	E	27	Very low	31.2	Very low	194 Å²	194	145.4 Å²	145.4	91%	0.907	83%	0.831	S	S	*	*			trans	83.1	149.9	164.2	-53	-166.9	167.5	0	0	119.5
649	G	26.1	Very low	29.8	Very low	78 Å²	78	147.8 Å²	147.8	80%	0.804	84%	0.838	S	S	*	*			trans	135.7	65.3	171	0	0	0	0	0	116.4
650	E	26.6	Very low	29.1	Very low	193 Å²	193	151 Å²	151	90%	0.902	84%	0.84	S	S	*	*			trans	-68.4	141.9	167.9	-64.8	-175.8	127.1	0	0	112.1
651	K	25.3	Very low	28.9	Very low	207 Å²	207	148.2 Å²	148.2	90%	0.9	84%	0.84	S	S	*	*			trans	-166.6	130.6	130.7	-111.7	161.2	-172	172.3	0	113.3
652	A	25.4	Very low	27.6	Very low	98 Å²	98	152.1 Å²	152.1	81%	0.81	85%	0.849	S	S	*	*			trans	-90.3	148.8	162.5	0	0	0	0	0	110.2
653	T	24.9	Very low	27.4	Very low	135 Å²	135	147 Å²	147	83%	0.828	85%	0.847	S	S	*	*			trans	-140.8	122.9	159.1	45.7	0	0	0	0	108.6
654	E	25.2	Very low	27.2	Very low	191 Å²	191	152.8 Å²	152.8	89%	0.893	85%	0.854	S	S	*	*			trans	-65.8	152	171.5	-61.7	157.6	120.8	0	0	110.5
655	K	25.5	Very low	27.2	Very low	211 Å²	211	148.9 Å²	148.9	92%	0.917	85%	0.846	S	S	*	*			trans	-139.6	143.4	154.5	-94.3	-168.3	174.1	-178.8	0	110
656	E	25.2	Very low	27.1	Very low	192 Å²	192	147.9 Å²	147.9	90%	0.897	83%	0.832	S	S	*	*			trans	-80.3	163.9	-163.4	-64.1	160.6	104.9	0	0	113.6	G658	E656-G658 PolarHBondContact O-N 3.37Å
657	N	26.3	Very low	27.1	Very low	174 Å²	174	145.8 Å²	145.8	93%	0.93	82%	0.819	S	S	*	*			trans	-64.1	121.6	172.8	-66.1	-43.7	0	0	0	110.8
658	G	24.8	Very low	26.6	Very low	72 Å²	72	143 Å²	143	74%	0.742	80%	0.802	S	S	*	*			trans	-109.5	95.4	164.5	0	0	0	0	0	109.8	E656	E656-G658 PolarHBondContact O-N 3.37Å
659	D	30.7	Very low	26.8	Very low	158 Å²	158	144.7 Å²	144.7	85%	0.845	80%	0.8	S	S	*	*			trans	-64.7	133.8	-179.6	-166.6	3	0	0	0	111.2
660	K	25.6	Very low	26.8	Very low	191 Å²	191	143.6 Å²	143.6	83%	0.83	78%	0.783	S	S	*	*			trans	-143.9	112.9	175.1	-81.8	-164.1	172.6	-171.5	0	109.3	E662	K660-E662 PolarHBondContact O-N 2.82Å
661	S	26.9	Very low	26.7	Very low	120 Å²	120	139.7 Å²	139.7	84%	0.839	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.3	116.9	177.3	54.1	0	0	0	0	112.1
662	E	26.8	Very low	26.9	Very low	182 Å²	182	132.5 Å²	132.5	85%	0.85	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-69.1	139.6	165.4	-65.3	-174	132.4	0	0	110.7	K660 Q664	K660-E662 PolarHBondContact O-N 2.82Å; E662-Q664 PolarHBondContact O-N 3.16Å
663	A	24.6	Very low	27	Very low	103 Å²	103	131.7 Å²	131.7	85%	0.851	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-71.9	119.3	176.4	0	0	0	0	0	110.6	A665	A663-A665 PolarHBondContact O-N 2.65Å
664	Q	25.1	Very low	27.2	Very low	191 Å²	191	136.7 Å²	136.7	89%	0.893	74%	0.739	S	S	*	*			trans	-78.9	109.4	-177.3	-69.8	-172.9	-9.4	0	0	112.4	E662 S666	E662-Q664 PolarHBondContact O-N 3.16Å; Q664-S666 PolarHBondContact O-N 3.18Å
665	A	27	Very low	27.5	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	73%	0.729	S	S	*	*			trans	-66.1	115.4	162.5	0	0	0	0	0	110	A663 V667	A663-A665 PolarHBondContact O-N 2.65Å; A665-V667 PolarHBondContact O-N 2.83Å
666	S	28	Very low	27.7	Very low	79 Å²	79	128.3 Å²	128.3	55%	0.552	72%	0.721	S	S	*	*			trans	-80.2	78.3	-172	75.1	0	0	0	0	113.3	Y531 Q664 C668	Y531-S666 PolarHBondContact OH-OG 2.94Å; Q664-S666 PolarHBondContact O-N 3.18Å; S666-C668 PolarHBondContact O-N 3.32Å
667	V	29	Very low	28	Very low	93 Å²	93	126.4 Å²	126.4	56%	0.564	71%	0.71	S	S	*	*			trans	-69.5	100.1	178.7	-178	0	0	0	0	111.4	A665 R669	A665-V667 PolarHBondContact O-N 2.83Å; V667-R669 PolarHBondContact O-N 2.91Å; V667-R669 VanDerWaalsContact O-N 3.13Å
668	C	32.7	Very low	28.1	Very low	51 Å²	51	124 Å²	124	35%	0.345	70%	0.699	S	S	.	*			trans	-73.8	99.3	170.2	-81.1	0	0	0	0	111	K530 Y531 S666 A670	K530-C668 PolarHBondContact NZ-SG 3.4Å; Y531-C668 PolarHBondContact OH-SG 2.84Å; S666-C668 PolarHBondContact O-N 3.32Å; C668-A670 PolarHBondContact O-N 2.81Å; C668-A670 VanDerWaalsContact O-N 3.15Å
669	R	30.2	Very low	28.3	Very low	230 Å²	230	126.7 Å²	126.7	87%	0.868	70%	0.697	S	S	*	*			trans	-68.5	106.4	172	-64.3	-179.6	-177.7	171.9	1.8	110.4	V667	V667-R669 PolarHBondContact O-N 2.91Å; V667-R669 VanDerWaalsContact O-N 3.13Å
670	A	26.3	Very low	28.2	Very low	55 Å²	55	125 Å²	125	46%	0.455	69%	0.689	S	S	.	*			trans	-63.7	139.1	160.7	0	0	0	0	0	109	C668 V672	C668-A670 PolarHBondContact O-N 2.81Å; C668-A670 VanDerWaalsContact O-N 3.15Å; A670-V672 PolarHBondContact O-N 2.55Å
671	S	25.5	Very low	28.3	Very low	112 Å²	112	121.1 Å²	121.1	78%	0.783	68%	0.68	S	S	*	*			trans	-76.1	85.8	-177.9	57.4	0	0	0	0	110.7	T673	S671-T673 PolarHBondContact O-N 2.83Å
672	V	29.6	Very low	28.4	Very low	56 Å²	56	121.2 Å²	121.2	34%	0.339	67%	0.67	S	S	.	*			trans	-66.5	98.5	164.4	178.9	0	0	0	0	108	V556 A670 R674	V556-V672 HydrophobicContact CB-CG2 4.45Å; V556-V672 HydrophobicContact CG2-CG2 4.42Å; A670-V672 PolarHBondContact O-N 2.55Å; V672-R674 PolarHBondContact O-N 3.02Å
673	T	27.3	Very low	28.5	Very low	81 Å²	81	117.1 Å²	117.1	50%	0.497	66%	0.658	S	S	.	*			trans	-54.7	121.6	164	-53.3	0	0	0	0	107.7	S671 F675	S671-T673 PolarHBondContact O-N 2.83Å; T673-F675 HydrophobicContact CG2-CD1 4.04Å; T673-F675 HydrophobicContact CG2-CE1 3.81Å; T673-F675 HydrophobicContact CG2-CE2 4.35Å; T673-F675 HydrophobicContact CG2-CG 4.4Å; T673-F675 HydrophobicContact CG2-CZ 3.98Å; T673-F675 VanDerWaalsContact O-CD2 3.22Å; T673-F675 WeakPolarHBondContact O-CD2 3.39Å; T673-F675 PolarHBondContact O-N 2.82Å
674	R	28.9	Very low	28.8	Very low	239 Å²	239	118.1 Å²	118.1	90%	0.902	64%	0.644	S	S	*	*			trans	-67.3	84.8	168	-85.5	-175	165	-171.9	-5.7	108.6	V672 G676	V672-R674 PolarHBondContact O-N 3.02Å; R674-G676 PolarHBondContact O-N 2.96Å; R674-G676 VanDerWaalsContact O-N 3.17Å
675	F	31.3	Very low	29.1	Very low	154 Å²	154	112.5 Å²	112.5	68%	0.675	63%	0.625	S	S	*	*			trans	-65.4	113.4	172.3	-66.8	-70.1	0	0	0	108.7	T673	T673-F675 HydrophobicContact CG2-CD1 4.04Å; T673-F675 HydrophobicContact CG2-CE1 3.81Å; T673-F675 HydrophobicContact CG2-CE2 4.35Å; T673-F675 HydrophobicContact CG2-CG 4.4Å; T673-F675 HydrophobicContact CG2-CZ 3.98Å; T673-F675 VanDerWaalsContact O-CD2 3.22Å; T673-F675 WeakPolarHBondContact O-CD2 3.39Å; T673-F675 PolarHBondContact O-N 2.82Å
676	G	29.6	Very low	29.3	Very low	73 Å²	73	114.5 Å²	114.5	75%	0.753	62%	0.616	S	S	*	*			trans	-65.2	131	155.9	0	0	0	0	0	108.1	R674	R674-G676 PolarHBondContact O-N 2.96Å; R674-G676 VanDerWaalsContact O-N 3.17Å
677	F	32.7	Very low	29.4	Very low	151 Å²	151	117.7 Å²	117.7	66%	0.662	62%	0.622	S	S	*	*			trans	-88.5	0	160.8	-60.7	-91.8	0	0	0	107.7	R186 L516 T517	R186-F677 VanDerWaalsContact NH1-CG 3.31Å; L516-F677 WeakPolarHBondContact O-CE1 3.25Å; T517-F677 HydrophobicContact CG2-CZ 4.23Å; T517-F677 WeakPolarHBondContact OG1-CE1 3.4Å

Retrieved 677 of 677 residues in 308.3 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).