A0A3Q0KF25_SCHMA Loading...

Putative smirv1 protein; Putative smirv1 protein; SmIrV1 protein; SmIrV1 protein; SmIrV1 protein

Calcium-binding protein that interacts with newly synthesized monoglucosylated glycoproteins in the endoplasmic reticulum. It may act in assisting protein assembly and/or in the retention within the ER of unassembled protein subunits. It seems to play a major role in the quality control apparatus of the ER by the retention of incorrectly folded proteins. Required for embryogenesis and larval development under heat and ER stress conditions. May be important for germ cell development. Involved in neuronal necrotic cell death.

AlphaFold DB (Q04702), UniProt , Accession A0A3Q0KF25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 582 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.6	Low	76.9	Confident	203 Å²	203	122.7 Å²	122.7	100%	1	64%	0.638	S	S	*	*				0	-49.8	0	-80	-161.1	-110.8	0	0	113.7	A3 L4 R5	M1-A3 PolarHBondContact O-N 3.19Å; M1-L4 PolarHBondContact O-N 3.38Å; M1-R5 PolarHBondContact O-N 3.48Å
2	L	73.6	Confident	77.2	Confident	142 Å²	142	117.1 Å²	117.1	74%	0.743	62%	0.623	S	S	*	*	H	α-helix	trans	-55.3	-49	-176.5	-133.1	76.8	0	0	0	113.4	L4 R5 C6	L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 2.97Å; L2-R5 WeakPolarHBondContact O-CA 3.45Å; L2-R5 WeakPolarHBondContact O-CB 3.49Å; L2-R5 PolarHBondContact O-N 3.27Å; L2-C6 PolarHBondContact O-N 3.05Å; L2-C6 PolarHBondContact O-SG 3.32Å
3	A	72.2	Confident	77.5	Confident	67 Å²	67	117.1 Å²	117.1	55%	0.554	61%	0.614	S	S	*	*	H	α-helix	trans	-56	-39.3	178	0	0	0	0	0	113.8	M1 R5 C6 I7	M1-A3 PolarHBondContact O-N 3.19Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 2.95Å; A3-C6 PolarHBondContact O-N 3.45Å; A3-I7 WeakPolarHBondContact O-CG1 3.35Å; A3-I7 PolarHBondContact O-N 3.27Å
4	L	74.9	Confident	77.6	Confident	134 Å²	134	111.8 Å²	111.8	70%	0.702	59%	0.591	S	S	*	*	H	α-helix	trans	-64.1	-35.5	175.3	-109.5	79.6	0	0	0	112.3	M1 L2 A8	M1-L4 PolarHBondContact O-N 3.38Å; L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 2.97Å; L4-A8 WeakPolarHBondContact O-CB 3.32Å; L4-A8 PolarHBondContact O-N 3.43Å
5	R	80	Confident	77.4	Confident	180 Å²	180	111.8 Å²	111.8	68%	0.679	59%	0.591	S	S	*	*	H	α-helix	trans	-70.3	-37.5	175.5	-70	-173.5	173.6	-173.8	-2.6	111.8	M1 L2 A3 A8 L9	M1-R5 PolarHBondContact O-N 3.48Å; L2-R5 WeakPolarHBondContact O-CA 3.45Å; L2-R5 WeakPolarHBondContact O-CB 3.49Å; L2-R5 PolarHBondContact O-N 3.27Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 2.95Å; R5-A8 PolarHBondContact O-N 2.72Å; R5-L9 WeakPolarHBondContact O-CB 3.26Å; R5-L9 WeakPolarHBondContact O-CG 3.37Å; R5-L9 PolarHBondContact O-N 2.9Å
6	C	77.4	Confident	77.4	Confident	78 Å²	78	116.1 Å²	116.1	53%	0.527	60%	0.596	S	S	.	*	H	α-helix	trans	-64.1	-44.7	173.5	-61.8	0	0	0	0	111.7	L2 A3 L9 Y10	L2-C6 PolarHBondContact O-N 3.05Å; L2-C6 PolarHBondContact O-SG 3.32Å; A3-C6 PolarHBondContact O-N 3.45Å; C6-L9 PolarHBondContact O-N 3.33Å; C6-Y10 WeakPolarHBondContact O-CB 3.42Å; C6-Y10 PolarHBondContact O-N 2.93Å
7	I	81.5	Confident	77.1	Confident	100 Å²	100	113.2 Å²	113.2	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-63.7	-41.8	175.9	-66.4	164.4	0	0	0	111	A3 Y10 L11	A3-I7 WeakPolarHBondContact O-CG1 3.35Å; A3-I7 PolarHBondContact O-N 3.27Å; I7-Y10 PolarHBondContact O-N 2.89Å; I7-L11 HydrophobicContact CG2-CD1 3.9Å; I7-L11 HydrophobicContact CG2-CG 4.39Å; I7-L11 WeakPolarHBondContact O-CB 3.38Å; I7-L11 WeakPolarHBondContact O-CG 3.49Å; I7-L11 PolarHBondContact O-N 2.88Å
8	A	81.5	Confident	76.5	Confident	58 Å²	58	110.4 Å²	110.4	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-64.2	-39.4	176.4	0	0	0	0	0	112.9	L4 R5 A12	L4-A8 WeakPolarHBondContact O-CB 3.32Å; L4-A8 PolarHBondContact O-N 3.43Å; R5-A8 PolarHBondContact O-N 2.72Å; A8-A12 VanDerWaalsContact O-CB 3.26Å; A8-A12 WeakPolarHBondContact O-CB 3.46Å; A8-A12 PolarHBondContact O-N 2.95Å
9	L	83.2	Confident	76	Confident	125 Å²	125	112.7 Å²	112.7	65%	0.654	58%	0.578	S	S	*	*	H	α-helix	trans	-67.1	-40.8	173.8	-78.7	166.4	0	0	0	112	R5 C6 A12 F13	R5-L9 WeakPolarHBondContact O-CB 3.26Å; R5-L9 WeakPolarHBondContact O-CG 3.37Å; R5-L9 PolarHBondContact O-N 2.9Å; C6-L9 PolarHBondContact O-N 3.33Å; L9-A12 PolarHBondContact O-N 3.34Å; L9-F13 WeakPolarHBondContact O-CB 3.43Å; L9-F13 PolarHBondContact O-N 2.95Å
10	Y	82.2	Confident	75.2	Confident	162 Å²	162	110.3 Å²	110.3	64%	0.635	58%	0.576	S	S	*	*	H	α-helix	trans	-64.2	-46.3	176.5	-166.6	-95.1	0	0	0	111.4	C6 I7 A12 F13 C14	C6-Y10 WeakPolarHBondContact O-CB 3.42Å; C6-Y10 PolarHBondContact O-N 2.93Å; I7-Y10 PolarHBondContact O-N 2.89Å; Y10-A12 PolarHBondContact O-N 2.87Å; Y10-F13 PolarHBondContact O-N 3.21Å; Y10-C14 PolarHBondContact O-N 3.37Å; Y10-C14 PolarHBondContact O-SG 3.36Å; Y10-C14 VanDerWaalsContact O-SG 3.33Å
11	L	82.7	Confident	74.1	Confident	101 Å²	101	111 Å²	111	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-63.1	-38.2	174.6	-73.4	170.9	0	0	0	112.6	I7 L15	I7-L11 HydrophobicContact CG2-CD1 3.9Å; I7-L11 HydrophobicContact CG2-CG 4.39Å; I7-L11 WeakPolarHBondContact O-CB 3.38Å; I7-L11 WeakPolarHBondContact O-CG 3.49Å; I7-L11 PolarHBondContact O-N 2.88Å; L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.37Å; L11-L15 PolarHBondContact O-N 3.19Å
12	A	80.7	Confident	73.7	Confident	55 Å²	55	107.7 Å²	107.7	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-66.3	-37.3	174.5	0	0	0	0	0	112.2	A8 L9 Y10 W16	A8-A12 VanDerWaalsContact O-CB 3.26Å; A8-A12 WeakPolarHBondContact O-CB 3.46Å; A8-A12 PolarHBondContact O-N 2.95Å; L9-A12 PolarHBondContact O-N 3.34Å; Y10-A12 PolarHBondContact O-N 2.87Å; A12-W16 WeakPolarHBondContact O-CB 3.3Å; A12-W16 PolarHBondContact O-N 3.5Å
13	F	81.3	Confident	72.4	Confident	117 Å²	117	104.2 Å²	104.2	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-69.1	-44.3	175.5	-170.9	-111.3	0	0	0	111.7	L9 Y10 L15 W16 I17	L9-F13 WeakPolarHBondContact O-CB 3.43Å; L9-F13 PolarHBondContact O-N 2.95Å; Y10-F13 PolarHBondContact O-N 3.21Å; F13-L15 PolarHBondContact O-N 3.4Å; F13-W16 HydrophobicContact CE2-CE3 4.39Å; F13-W16 PolarHBondContact O-N 2.95Å; F13-W16 VanDerWaalsContact O-N 3.15Å; F13-I17 HydrophobicContact CD1-CD1 3.77Å; F13-I17 HydrophobicContact CE1-CD1 3.46Å; F13-I17 VanDerWaalsContact CE1-CD1 3.46Å; F13-I17 HydrophobicContact CE1-CG1 4.44Å; F13-I17 HydrophobicContact CG-CD1 4.49Å; F13-I17 HydrophobicContact CZ-CD1 3.95Å; F13-I17 WeakPolarHBondContact O-CG1 3.39Å; F13-I17 PolarHBondContact O-N 3.45Å
14	C	77.9	Confident	71.1	Confident	43 Å²	43	106 Å²	106	29%	0.291	56%	0.563	S	S	.	*	H	α-helix	trans	-60.6	-43.8	171.9	-66.9	0	0	0	0	112.1	Y10 W16 I17 C18	Y10-C14 PolarHBondContact O-N 3.37Å; Y10-C14 PolarHBondContact O-SG 3.36Å; Y10-C14 VanDerWaalsContact O-SG 3.33Å; C14-W16 VanDerWaalsContact C-N 3.26Å; C14-W16 PolarHBondContact O-N 2.86Å; C14-I17 PolarHBondContact O-N 3.27Å; C14-C18 PolarHBondContact O-N 3.1Å; C14-C18 PolarHBondContact O-SG 2.85Å
15	L	74.8	Confident	69.7	Low	112 Å²	112	104.8 Å²	104.8	59%	0.586	57%	0.565	S	S	*	*	H	α-helix	trans	-64.3	-29.1	174.6	-87.4	161.1	0	0	0	113.1	L11 F13 K19	L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.37Å; L11-L15 PolarHBondContact O-N 3.19Å; F13-L15 PolarHBondContact O-N 3.4Å; L15-K19 WeakPolarHBondContact O-CB 3.44Å; L15-K19 WeakPolarHBondContact O-CG 3.45Å; L15-K19 PolarHBondContact O-N 3.33Å; L15-K19 VanDerWaalsContact O-N 3.1Å
16	W	77.3	Confident	68	Low	180 Å²	180	99.8 Å²	99.8	68%	0.682	56%	0.563	S	S	*	*	H	α-helix	trans	-76	-38.8	174.7	-169.7	65.8	0	0	0	111.8	A12 F13 C14 K19 A20	A12-W16 WeakPolarHBondContact O-CB 3.3Å; A12-W16 PolarHBondContact O-N 3.5Å; F13-W16 HydrophobicContact CE2-CE3 4.39Å; F13-W16 PolarHBondContact O-N 2.95Å; F13-W16 VanDerWaalsContact O-N 3.15Å; C14-W16 VanDerWaalsContact C-N 3.26Å; C14-W16 PolarHBondContact O-N 2.86Å; W16-K19 PolarHBondContact O-N 2.9Å; W16-A20 PolarHBondContact O-N 3.15Å
17	I	72.3	Confident	66.3	Low	68 Å²	68	101.1 Å²	101.1	35%	0.349	57%	0.57	S	S	.	*	H	α-helix	trans	-63.1	-50.9	171.4	-68.9	168.9	0	0	0	110.6	F13 C14 K19 A20 E21	F13-I17 HydrophobicContact CD1-CD1 3.77Å; F13-I17 HydrophobicContact CE1-CD1 3.46Å; F13-I17 VanDerWaalsContact CE1-CD1 3.46Å; F13-I17 HydrophobicContact CE1-CG1 4.44Å; F13-I17 HydrophobicContact CG-CD1 4.49Å; F13-I17 HydrophobicContact CZ-CD1 3.95Å; F13-I17 WeakPolarHBondContact O-CG1 3.39Å; F13-I17 PolarHBondContact O-N 3.45Å; C14-I17 PolarHBondContact O-N 3.27Å; I17-K19 PolarHBondContact O-N 3.23Å; I17-A20 CarbonylContact O-C 3.54Å; I17-A20 WeakPolarHBondContact O-CA 3.33Å; I17-A20 WeakPolarHBondContact O-CB 3.46Å; I17-A20 PolarHBondContact O-N 3.4Å; I17-E21 PolarHBondContact O-N 2.93Å
18	C	66.2	Low	64.4	Low	63 Å²	63	106 Å²	106	43%	0.426	59%	0.591	S	S	.	*	H	α-helix	trans	-61.7	-32.3	178	-63.5	0	0	0	0	112.3	C14 E21 D22	C14-C18 PolarHBondContact O-N 3.1Å; C14-C18 PolarHBondContact O-SG 2.85Å; C18-E21 PolarHBondContact O-N 3.36Å; C18-D22 WeakPolarHBondContact O-CB 3.46Å; C18-D22 PolarHBondContact O-N 3.32Å
19	K	68.1	Low	62.6	Low	153 Å²	153	107.9 Å²	107.9	67%	0.665	60%	0.596	S	S	*	*	H	α-helix	trans	-73.9	-22.8	170.9	-82.9	-172.3	170.6	-173.7	0	114.5	L15 W16 I17 A23	L15-K19 WeakPolarHBondContact O-CB 3.44Å; L15-K19 WeakPolarHBondContact O-CG 3.45Å; L15-K19 PolarHBondContact O-N 3.33Å; L15-K19 VanDerWaalsContact O-N 3.1Å; W16-K19 PolarHBondContact O-N 2.9Å; I17-K19 PolarHBondContact O-N 3.23Å; K19-A23 WeakPolarHBondContact O-CB 3.34Å; K19-A23 PolarHBondContact O-N 3.39Å
20	A	59.5	Low	60.8	Low	64 Å²	64	110.1 Å²	110.1	53%	0.529	60%	0.603	S	S	.	*	H	α-helix	trans	-76.9	-32.3	170	0	0	0	0	0	111.1	W16 I17	W16-A20 PolarHBondContact O-N 3.15Å; I17-A20 CarbonylContact O-C 3.54Å; I17-A20 WeakPolarHBondContact O-CA 3.33Å; I17-A20 WeakPolarHBondContact O-CB 3.46Å; I17-A20 PolarHBondContact O-N 3.4Å
21	E	52.6	Low	59.6	Low	125 Å²	125	109.4 Å²	109.4	58%	0.584	61%	0.611	S	S	*	*	H	α-helix	trans	-72.4	-45.1	172.4	-68.8	171.7	132.7	0	0	111.8	I17 C18 A23 S24	I17-E21 PolarHBondContact O-N 2.93Å; C18-E21 PolarHBondContact O-N 3.36Å; E21-A23 PolarHBondContact O-N 2.89Å; E21-S24 WeakPolarHBondContact O-CB 3.38Å; E21-S24 PolarHBondContact O-N 2.88Å
22	D	48.4	Very low	59	Low	135 Å²	135	112.6 Å²	112.6	72%	0.722	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-66.1	-17.2	173.6	-81.1	-24.8	0	0	0	113.1	C18 S24	C18-D22 WeakPolarHBondContact O-CB 3.46Å; C18-D22 PolarHBondContact O-N 3.32Å; D22-S24 PolarHBondContact O-N 2.86Å
23	A	46.8	Very low	58.9	Low	68 Å²	68	114.7 Å²	114.7	56%	0.562	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-74.7	-0.6	171.7	0	0	0	0	0	113.4	K19 E21 S25	K19-A23 WeakPolarHBondContact O-CB 3.34Å; K19-A23 PolarHBondContact O-N 3.39Å; E21-A23 PolarHBondContact O-N 2.89Å; A23-S25 PolarHBondContact O-N 3.25Å
24	S	44.6	Very low	59	Low	106 Å²	106	111.9 Å²	111.9	74%	0.741	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-70.5	-3	177.9	-163.8	0	0	0	0	114.3	E21 D22 A26	E21-S24 WeakPolarHBondContact O-CB 3.38Å; E21-S24 PolarHBondContact O-N 2.88Å; D22-S24 PolarHBondContact O-N 2.86Å; S24-A26 PolarHBondContact O-N 3.22Å
25	S	44.6	Very low	59.2	Low	107 Å²	107	112.6 Å²	112.6	75%	0.748	62%	0.618	S	S	*	*			trans	-78.6	59.5	162.3	75.1	0	0	0	0	111.2	A23	A23-S25 PolarHBondContact O-N 3.25Å
26	A	44.9	Very low	59.6	Low	76 Å²	76	108.6 Å²	108.6	63%	0.628	60%	0.596	S	S	*	*			trans	-59.6	143.9	162.6	0	0	0	0	0	108.7	S24	S24-A26 PolarHBondContact O-N 3.22Å
27	P	42.2	Very low	60	Low	106 Å²	106	105.6 Å²	105.6	69%	0.688	59%	0.593	S	S	*	*			trans	-58.3	150.7	171	26.9	-34.1	0	0	0	109.4	V29	P27-V29 HydrophobicContact CG-CG2 4.36Å; P27-V29 PolarHBondContact O-N 3.3Å
28	E	40	Very low	60.7	Low	202 Å²	202	107.3 Å²	107.3	94%	0.944	60%	0.603	S	S	*	*			trans	-61.6	85.3	163.4	-77.4	-178.7	130.6	0	0	108.7	E30	E28-E30 PolarHBondContact O-N 3.29Å
29	V	44.4	Very low	61.7	Low	98 Å²	98	104.8 Å²	104.8	59%	0.594	59%	0.586	S	S	*	*			trans	-66.6	108.7	157.2	-179.2	0	0	0	0	104.2	P27 N31	P27-V29 HydrophobicContact CG-CG2 4.36Å; P27-V29 PolarHBondContact O-N 3.3Å; V29-N31 VanDerWaalsContact C-N 3.3Å; V29-N31 PolarHBondContact O-N 3.01Å
30	E	45.4	Very low	62.7	Low	171 Å²	171	103.1 Å²	103.1	80%	0.799	58%	0.584	S	S	*	*			trans	-50.9	105.4	159.6	-77.2	-173.8	140.1	0	0	106.1	E28 K32	E28-E30 PolarHBondContact O-N 3.29Å; E30-K32 PolarHBondContact O-N 3.41Å
31	N	58	Low	64.1	Low	147 Å²	147	104.4 Å²	104.4	79%	0.786	58%	0.582	S	S	*	*			trans	-70.5	76.3	178.8	-85	-23.2	0	0	0	108.1	V29 K33	V29-N31 VanDerWaalsContact C-N 3.3Å; V29-N31 PolarHBondContact O-N 3.01Å; N31-K33 PolarHBondContact O-N 2.9Å
32	K	68.8	Low	65.9	Low	169 Å²	169	99.5 Å²	99.5	74%	0.735	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-59.9	119.5	179.1	-136.5	176.7	-174.1	178.2	0	107.3	E30	E30-K32 PolarHBondContact O-N 3.41Å
33	K	78.7	Confident	67.6	Low	98 Å²	98	103.1 Å²	103.1	43%	0.426	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-59	137.3	-179.1	-70.5	-176.4	176.5	-172.3	0	108.4	N31 S35 S90 A91 E93	N31-K33 PolarHBondContact O-N 2.9Å; K33-S35 PolarHBondContact O-N 3.24Å; K33-S90 PolarHBondContact NZ-O 3.43Å; K33-A91 WeakPolarHBondContact CB-O 3.45Å; K33-A91 WeakPolarHBondContact CG-O 3.35Å; K33-E93 HydrophobicContact CB-CB 4.38Å; K33-E93 HydrophobicContact CB-CG 3.93Å
34	P	83.7	Confident	69.6	Low	58 Å²	58	103.7 Å²	103.7	38%	0.377	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-61.4	130.9	174.6	21.9	-27.4	0	0	0	109	M92 E93 A440	P34-M92 HydrophobicContact CB-CE 4.32Å; P34-M92 HydrophobicContact CG-CG 4.18Å; P34-M92 VanDerWaalsContact O-CA 3.29Å; P34-M92 WeakPolarHBondContact O-CA 3.38Å; P34-M92 WeakPolarHBondContact O-CB 3.45Å; P34-E93 PolarHBondContact O-N 3.39Å; P34-A440 HydrophobicContact CG-CB 3.76Å
35	S	82.3	Confident	71.9	Confident	58 Å²	58	99.1 Å²	99.1	41%	0.406	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-76.7	139.7	176.8	57.5	0	0	0	0	110.6	K33 N37 E93	K33-S35 PolarHBondContact O-N 3.24Å; S35-N37 PolarHBondContact O-N 2.97Å; S35-N37 PolarHBondContact O-ND2 3.39Å; S35-E93 WeakPolarHBondContact CA-O 3.4Å
36	F	83.2	Confident	74.2	Confident	28 Å²	28	94.5 Å²	94.5	12%	0.123	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-57.4	134.9	170.8	-178.1	-96.4	0	0	0	111.1	F50 N52 M92 E93 D95	F36-F50 HydrophobicContact CE1-CD2 4.24Å; F36-F50 HydrophobicContact CZ-CB 4.4Å; F36-F50 HydrophobicContact CZ-CD2 4.13Å; F36-F50 HydrophobicContact CZ-CG 4.45Å; F36-N52 WeakPolarHBondContact CE1-OD1 3.19Å; F36-M92 HydrophobicContact CB-CE 4.47Å; F36-E93 PolarHBondContact N-O 2.91Å; F36-D95 HydrophobicContact CB-CB 4.39Å; F36-D95 WeakPolarHBondContact CD2-OD1 3.44Å
37	N	85.3	Confident	76.5	Confident	117 Å²	117	91 Å²	91	63%	0.626	47%	0.469	S	S	*	.			trans	-121.2	140.7	173.6	-69.5	-62.8	0	0	0	108.3	S35 P39	S35-N37 PolarHBondContact O-N 2.97Å; S35-N37 PolarHBondContact O-ND2 3.39Å; N37-P39 WeakPolarHBondContact O-CD 3.47Å
38	N	86.3	Confident	79	Confident	105 Å²	105	86.5 Å²	86.5	56%	0.561	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-60	123.4	176.9	-68.1	-53.9	0	0	0	110.4	F50 N52	N38-F50 WeakPolarHBondContact OD1-CE2 3.33Å; N38-N52 PolarHBondContact OD1-ND2 3.36Å; N38-N52 PolarHBondContact OD1-OD1 2.9Å
39	P	87.6	Confident	81.6	Confident	10 Å²	10	77.2 Å²	77.2	7%	0.065	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-72.3	160.8	177.7	31	-37	0	0	0	112.1	N37 I41 F50 F429 E432 T433	N37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-I41 PolarHBondContact O-N 3.46Å; P39-F50 HydrophobicContact CG-CD1 4.14Å; P39-F50 HydrophobicContact CG-CE1 4.25Å; P39-F429 HydrophobicContact CB-CD2 4.02Å; P39-F429 HydrophobicContact CB-CE2 3.75Å; P39-F429 HydrophobicContact CB-CZ 4.5Å; P39-F429 HydrophobicContact CG-CD2 4.25Å; P39-F429 HydrophobicContact CG-CE2 3.47Å; P39-F429 VanDerWaalsContact CG-CE2 3.47Å; P39-F429 HydrophobicContact CG-CZ 3.94Å; P39-E432 HydrophobicContact CB-CB 4.21Å; P39-T433 HydrophobicContact CB-CG2 3.6Å; P39-T433 HydrophobicContact CG-CG2 3.64Å
40	N	89.3	Confident	83.8	Confident	117 Å²	117	73.2 Å²	73.2	63%	0.626	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-72.2	120.8	175.9	-171.8	12.2	0	0	0	110.7	P42 E432	N40-P42 WeakPolarHBondContact O-CD 3.1Å; N40-E432 VanDerWaalsContact CB-OE2 3.23Å; N40-E432 WeakPolarHBondContact CB-OE2 3.25Å; N40-E432 PolarHBondContact N-OE2 3.29Å
41	I	89.5	Confident	86.1	Confident	92 Å²	92	65.1 Å²	65.1	47%	0.472	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-82	119	-173.7	-62.4	177.4	0	0	0	110	P39 K43 V48 F50	P39-I41 PolarHBondContact O-N 3.46Å; I41-K43 PolarHBondContact O-N 3.22Å; I41-V48 HydrophobicContact CG2-CB 4.49Å; I41-V48 HydrophobicContact CG2-CG2 3.94Å; I41-F50 HydrophobicContact CD1-CE1 4.35Å; I41-F50 HydrophobicContact CG1-CE1 4.45Å
42	P	89.6	Confident	87.5	Confident	22 Å²	22	61 Å²	61	14%	0.143	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-63.3	126.5	176.4	-22.6	34.9	0	0	0	111.5	N40 N44 A45 L418 V420 A425	N40-P42 WeakPolarHBondContact O-CD 3.1Å; P42-N44 PolarHBondContact O-N 2.88Å; P42-A45 HydrophobicContact CB-CB 4.42Å; P42-A45 VanDerWaalsContact O-CB 3.31Å; P42-A45 WeakPolarHBondContact O-CB 3.39Å; P42-A45 PolarHBondContact O-N 3.21Å; P42-L418 HydrophobicContact CG-CD1 4.23Å; P42-V420 HydrophobicContact CB-CG2 4.07Å; P42-A425 HydrophobicContact CB-CB 4.25Å; P42-A425 HydrophobicContact CG-CB 4.35Å
43	K	85.4	Confident	88.5	Confident	210 Å²	210	54.6 Å²	54.6	91%	0.913	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.6	-174.7	-66.3	-177.9	-179.8	177.4	0	114.8	I41	I41-K43 PolarHBondContact O-N 3.22Å
44	N	88	Confident	89	Confident	81 Å²	81	53.3 Å²	53.3	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	11.5	-179.7	-70.4	10.7	0	0	0	113.2	P42 Y46 R115 D421	P42-N44 PolarHBondContact O-N 2.88Å; N44-Y46 PolarHBondContact O-N 3.04Å; N44-R115 PolarHBondContact O-NH2 3.13Å; N44-D421 VanDerWaalsContact CB-OD1 3.28Å; N44-D421 WeakPolarHBondContact CB-OD1 3.36Å; N44-D421 VanDerWaalsContact CB-OD2 3.29Å; N44-D421 WeakPolarHBondContact CB-OD2 3.25Å; N44-D421 PolarHBondContact ND2-OD2 2.97Å
45	A	92.1	Very high	89.2	Confident	9 Å²	9	53.1 Å²	53.1	7%	0.074	29%	0.289	C	S	.	.			trans	-62.3	133.9	176.8	0	0	0	0	0	111.5	P42 V48 L418 I419	P42-A45 HydrophobicContact CB-CB 4.42Å; P42-A45 VanDerWaalsContact O-CB 3.31Å; P42-A45 WeakPolarHBondContact O-CB 3.39Å; P42-A45 PolarHBondContact O-N 3.21Å; A45-V48 HydrophobicContact CB-CG2 3.4Å; A45-L418 HydrophobicContact CB-CD1 4.11Å; A45-I419 CarbonylContact C-O 3.55Å; A45-I419 VanDerWaalsContact CA-O 3.32Å; A45-I419 WeakPolarHBondContact CA-O 3.46Å
46	Y	93.5	Very high	89.4	Confident	10 Å²	10	50.6 Å²	50.6	4%	0.039	27%	0.271	C	S	.	.	S	Bend	trans	-76.7	-29.3	168.6	-65	-94.5	0	0	0	111.3	N44 F114 R115 I117 T121 L124 I419 D421	N44-Y46 PolarHBondContact O-N 3.04Å; Y46-F114 PolarHBondContact O-N 2.71Å; Y46-R115 HydrophobicContact CD1-CG 3.4Å; Y46-R115 VanDerWaalsContact CD1-CG 3.4Å; Y46-R115 HydrophobicContact CE1-CG 3.83Å; Y46-R115 HydrophobicContact CG-CG 4.22Å; Y46-I117 HydrophobicContact CD1-CB 4.3Å; Y46-I117 HydrophobicContact CD1-CD1 4.48Å; Y46-I117 HydrophobicContact CD1-CG1 3.37Å; Y46-I117 HydrophobicContact CD2-CG1 4.35Å; Y46-I117 HydrophobicContact CE1-CB 4.34Å; Y46-I117 HydrophobicContact CE1-CG1 3.83Å; Y46-I117 HydrophobicContact CG-CD1 4.37Å; Y46-I117 HydrophobicContact CG-CG1 3.68Å; Y46-T121 VanDerWaalsContact OH-CG2 3.24Å; Y46-T121 WeakPolarHBondContact OH-CG2 3.48Å; Y46-L124 HydrophobicContact CD2-CD1 4.37Å; Y46-L124 HydrophobicContact CE2-CD1 4.27Å; Y46-I419 HydrophobicContact CD2-CG2 4.3Å; Y46-I419 HydrophobicContact CG-CG2 4.5Å; Y46-I419 PolarHBondContact N-O 2.95Å; Y46-D421 HydrophobicContact CE2-CB 4.31Å
47	L	94.6	Very high	89.7	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	139.6	174	178.6	69.9	0	0	0	109.2	T111 L113 I401 F417 I419	L47-T111 HydrophobicContact CD1-CG2 4.1Å; L47-T111 HydrophobicContact CD2-CG2 4.41Å; L47-L113 HydrophobicContact CB-CD2 3.73Å; L47-L113 HydrophobicContact CD2-CD2 4.12Å; L47-L113 HydrophobicContact CG-CD2 4.38Å; L47-I401 HydrophobicContact CD2-CB 4.33Å; L47-I401 HydrophobicContact CD2-CD1 4.34Å; L47-I401 HydrophobicContact CD2-CG2 3.57Å; L47-F417 HydrophobicContact CD2-CB 4.45Å; L47-I419 HydrophobicContact CB-CB 4.33Å; L47-I419 HydrophobicContact CB-CD1 4.39Å; L47-I419 HydrophobicContact CB-CG1 4.29Å; L47-I419 HydrophobicContact CD2-CD1 4.37Å; L47-I419 PolarHBondContact N-O 2.73Å; L47-I419 PolarHBondContact O-N 2.94Å
48	V	94.4	Very high	89.7	Confident	10 Å²	10	50.6 Å²	50.6	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.3	159.7	-173.2	0	0	0	0	107.4	I41 A45 F50 F114 F417 L418 F429	I41-V48 HydrophobicContact CG2-CB 4.49Å; I41-V48 HydrophobicContact CG2-CG2 3.94Å; A45-V48 HydrophobicContact CB-CG2 3.4Å; V48-F50 HydrophobicContact CG1-CD1 3.86Å; V48-F50 HydrophobicContact CG1-CE1 3.94Å; V48-F114 HydrophobicContact CB-CE2 4.38Å; V48-F114 HydrophobicContact CG2-CE2 4.49Å; V48-F114 VanDerWaalsContact N-CE2 3.33Å; V48-F417 CarbonylContact C-O 3.58Å; V48-F417 WeakPolarHBondContact CA-O 3.5Å; V48-L418 HydrophobicContact CG2-CD1 3.75Å; V48-F429 HydrophobicContact CG1-CE2 3.84Å; V48-F429 HydrophobicContact CG1-CZ 3.93Å
49	L	92.9	Very high	89.8	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	111.7	177.8	178.3	69.5	0	0	0	110.3	F51 R60 L61 T111 N416 F417	L49-F51 HydrophobicContact CD1-CE1 4.02Å; L49-F51 HydrophobicContact CD1-CZ 4.2Å; L49-F51 HydrophobicContact CD2-CE1 4.34Å; L49-F51 HydrophobicContact CD2-CZ 3.84Å; L49-F51 HydrophobicContact CG-CE1 4.23Å; L49-F51 HydrophobicContact CG-CE2 4.44Å; L49-F51 HydrophobicContact CG-CZ 3.89Å; L49-R60 HydrophobicContact CD1-CB 3.86Å; L49-R60 HydrophobicContact CD1-CG 4.35Å; L49-L61 HydrophobicContact CD2-CD2 3.77Å; L49-T111 HydrophobicContact CD2-CG2 4.23Å; L49-N416 PolarHBondContact O-N 3.47Å; L49-F417 HydrophobicContact CB-CB 4.21Å; L49-F417 HydrophobicContact CB-CD2 4.27Å; L49-F417 HydrophobicContact CD2-CD2 3.91Å; L49-F417 HydrophobicContact CD2-CE2 4.28Å; L49-F417 HydrophobicContact CG-CD2 4.21Å; L49-F417 PolarHBondContact N-O 3.01Å; L49-F417 PolarHBondContact O-N 2.86Å
50	F	92.1	Very high	89.8	Confident	14 Å²	14	55.8 Å²	55.8	6%	0.061	29%	0.293	C	S	.	.			trans	-130.2	160.9	166.5	56	-92.2	0	0	0	107.6	F36 N38 P39 I41 V48 R60 D415	F36-F50 HydrophobicContact CE1-CD2 4.24Å; F36-F50 HydrophobicContact CZ-CB 4.4Å; F36-F50 HydrophobicContact CZ-CD2 4.13Å; F36-F50 HydrophobicContact CZ-CG 4.45Å; N38-F50 WeakPolarHBondContact OD1-CE2 3.33Å; P39-F50 HydrophobicContact CG-CD1 4.14Å; P39-F50 HydrophobicContact CG-CE1 4.25Å; I41-F50 HydrophobicContact CD1-CE1 4.35Å; I41-F50 HydrophobicContact CG1-CE1 4.45Å; V48-F50 HydrophobicContact CG1-CD1 3.86Å; V48-F50 HydrophobicContact CG1-CE1 3.94Å; F50-R60 PolarHBondContact O-NH1 3.5Å; F50-D415 WeakPolarHBondContact CA-OD1 3.45Å
51	F	92.2	Very high	90	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-114.1	133.6	-174.8	-52.1	-85.7	0	0	0	112	L49 D56 L61 V84 L98 D415 F417	L49-F51 HydrophobicContact CD1-CE1 4.02Å; L49-F51 HydrophobicContact CD1-CZ 4.2Å; L49-F51 HydrophobicContact CD2-CE1 4.34Å; L49-F51 HydrophobicContact CD2-CZ 3.84Å; L49-F51 HydrophobicContact CG-CE1 4.23Å; L49-F51 HydrophobicContact CG-CE2 4.44Å; L49-F51 HydrophobicContact CG-CZ 3.89Å; F51-D56 HydrophobicContact CD1-CB 3.83Å; F51-L61 HydrophobicContact CE1-CD1 3.85Å; F51-L61 HydrophobicContact CE1-CG 4.38Å; F51-L61 HydrophobicContact CZ-CD1 4.06Å; F51-V84 HydrophobicContact CB-CG1 3.69Å; F51-V84 HydrophobicContact CD1-CG1 3.96Å; F51-V84 HydrophobicContact CD1-CG2 3.78Å; F51-V84 HydrophobicContact CE1-CG2 3.98Å; F51-V84 HydrophobicContact CG-CG1 3.93Å; F51-V84 HydrophobicContact CG-CG2 4.31Å; F51-L98 HydrophobicContact CE2-CB 3.71Å; F51-L98 HydrophobicContact CZ-CB 3.73Å; F51-L98 HydrophobicContact CZ-CD2 4.49Å; F51-D415 WeakPolarHBondContact CD2-OD1 3.45Å; F51-F417 HydrophobicContact CE2-CE2 4.34Å
52	N	88.6	Confident	90.2	Very high	61 Å²	61	48.8 Å²	48.8	33%	0.326	26%	0.258	S	S	.	.	S	Bend	trans	-112.6	-17.5	178	-72.6	-11.9	0	0	0	112.4	F36 N38 D56 Y96	F36-N52 WeakPolarHBondContact CE1-OD1 3.19Å; N38-N52 PolarHBondContact OD1-ND2 3.36Å; N38-N52 PolarHBondContact OD1-OD1 2.9Å; N52-D56 PolarHBondContact N-OD2 3.18Å; N52-Y96 WeakPolarHBondContact O-CD2 3.42Å; N52-Y96 WeakPolarHBondContact O-CE2 3.33Å
53	S	89.1	Confident	90.2	Very high	34 Å²	34	50.6 Å²	50.6	24%	0.238	27%	0.268	C	S	.	.	S	Bend	trans	-155.6	153.4	-174.6	61.7	0	0	0	0	111.5	S55 D56 V84	S53-S55 PolarHBondContact O-N 3.46Å; S53-S55 VanDerWaalsContact O-N 3.1Å; S53-S55 PolarHBondContact OG-OG 2.92Å; S53-D56 PolarHBondContact N-OD2 3.16Å; S53-D56 WeakPolarHBondContact O-CB 3.34Å; S53-D56 PolarHBondContact O-N 3.49Å; S53-D56 VanDerWaalsContact O-N 3.07Å; S53-D56 PolarHBondContact OG-OD2 3.34Å; S53-D56 VanDerWaalsContact OG-OD2 3.12Å; S53-V84 WeakPolarHBondContact O-CG1 3.32Å
54	P	88.7	Confident	90.5	Very high	71 Å²	71	40.9 Å²	40.9	46%	0.461	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.7	174.8	-26.3	36.5	0	0	0	114.4	D56 I57 V84 Y96	P54-D56 VanDerWaalsContact C-N 3.31Å; P54-D56 PolarHBondContact O-N 3.26Å; P54-I57 WeakPolarHBondContact O-CG2 3.32Å; P54-V84 WeakPolarHBondContact CA-O 3.24Å; P54-V84 WeakPolarHBondContact CB-O 3.33Å; P54-Y96 HydrophobicContact CG-CD1 4.26Å; P54-Y96 HydrophobicContact CG-CE1 3.75Å
55	S	88.5	Confident	90.3	Very high	53 Å²	53	43.7 Å²	43.7	37%	0.371	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.4	176.7	38.9	0	0	0	0	114.1	S53 I57 T58 E59	S53-S55 PolarHBondContact O-N 3.46Å; S53-S55 VanDerWaalsContact O-N 3.1Å; S53-S55 PolarHBondContact OG-OG 2.92Å; S55-I57 PolarHBondContact O-N 2.89Å; S55-I57 VanDerWaalsContact O-N 3.07Å; S55-T58 PolarHBondContact O-N 3.36Å; S55-T58 PolarHBondContact O-OG1 3.47Å; S55-E59 PolarHBondContact O-N 3.32Å
56	D	87.6	Confident	89.7	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.032	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-24.1	177.6	-73.9	-56.3	0	0	0	112	F51 N52 S53 P54 T58 E59 R60	F51-D56 HydrophobicContact CD1-CB 3.83Å; N52-D56 PolarHBondContact N-OD2 3.18Å; S53-D56 PolarHBondContact N-OD2 3.16Å; S53-D56 WeakPolarHBondContact O-CB 3.34Å; S53-D56 PolarHBondContact O-N 3.49Å; S53-D56 VanDerWaalsContact O-N 3.07Å; S53-D56 PolarHBondContact OG-OD2 3.34Å; S53-D56 VanDerWaalsContact OG-OD2 3.12Å; P54-D56 VanDerWaalsContact C-N 3.31Å; P54-D56 PolarHBondContact O-N 3.26Å; D56-T58 VanDerWaalsContact C-N 3.31Å; D56-T58 PolarHBondContact O-N 2.7Å; D56-E59 PolarHBondContact O-N 2.83Å; D56-R60 HydrophobicContact CB-CG 4.45Å; D56-R60 WeakPolarHBondContact O-CB 3.41Å; D56-R60 PolarHBondContact O-N 2.71Å; D56-R60 IonicContact OD1-CZ 3.68Å; D56-R60 IonicContact OD1-NE 3.97Å; D56-R60 PolarHBondContact OD1-NE 2.91Å; D56-R60 IonicContact OD1-NH2 2.88Å; D56-R60 PolarHBondContact OD1-NH2 3.48Å; D56-R60 IonicContact OD2-NH2 2.74Å
57	I	87.7	Confident	88.8	Confident	32 Å²	32	50.1 Å²	50.1	16%	0.164	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-34.7	174.2	-158.3	175.3	0	0	0	113.1	P54 S55 L61 W82 V84	P54-I57 WeakPolarHBondContact O-CG2 3.32Å; S55-I57 PolarHBondContact O-N 2.89Å; S55-I57 VanDerWaalsContact O-N 3.07Å; I57-L61 HydrophobicContact CG1-CD1 4.31Å; I57-L61 WeakPolarHBondContact O-CB 2.91Å; I57-W82 HydrophobicContact CD1-CB 3.93Å; I57-V84 HydrophobicContact CB-CB 4.25Å; I57-V84 HydrophobicContact CB-CG2 3.7Å; I57-V84 HydrophobicContact CD1-CG2 4.31Å; I57-V84 HydrophobicContact CG1-CG2 4.07Å
58	T	85.4	Confident	87.5	Confident	113 Å²	113	52.6 Å²	52.6	69%	0.693	27%	0.271	S	S	*	.	H	α-helix	trans	-90.7	-21.7	179.9	39.3	0	0	0	0	113.2	S55 D56	S55-T58 PolarHBondContact O-N 3.36Å; S55-T58 PolarHBondContact O-OG1 3.47Å; D56-T58 VanDerWaalsContact C-N 3.31Å; D56-T58 PolarHBondContact O-N 2.7Å
59	E	88.5	Confident	85.9	Confident	145 Å²	145	57.5 Å²	57.5	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-92.9	-37	-176.6	-66.8	179.8	-156.7	0	0	112.6	S55 D56	S55-E59 PolarHBondContact O-N 3.32Å; D56-E59 PolarHBondContact O-N 2.83Å
60	R	89.3	Confident	84.4	Confident	79 Å²	79	61.3 Å²	61.3	30%	0.298	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-18.6	-172.2	-51.4	-170.9	-166.3	-170.4	11.7	114.4	L49 F50 D56 T111	L49-R60 HydrophobicContact CD1-CB 3.86Å; L49-R60 HydrophobicContact CD1-CG 4.35Å; F50-R60 PolarHBondContact O-NH1 3.5Å; D56-R60 HydrophobicContact CB-CG 4.45Å; D56-R60 WeakPolarHBondContact O-CB 3.41Å; D56-R60 PolarHBondContact O-N 2.71Å; D56-R60 IonicContact OD1-CZ 3.68Å; D56-R60 IonicContact OD1-NE 3.97Å; D56-R60 PolarHBondContact OD1-NE 2.91Å; D56-R60 IonicContact OD1-NH2 2.88Å; D56-R60 PolarHBondContact OD1-NH2 3.48Å; D56-R60 IonicContact OD2-NH2 2.74Å; R60-T111 VanDerWaalsContact O-CB 3.22Å; R60-T111 WeakPolarHBondContact O-CB 3.42Å; R60-T111 PolarHBondContact O-OG1 2.97Å
61	L	92.8	Very high	82.9	Confident	14 Å²	14	65.5 Å²	65.5	7%	0.073	36%	0.359	C	S	.	.			trans	-118.6	149.9	-174.8	-63.8	177	0	0	0	112.1	L49 F51 I57 L98 V109 T111	L49-L61 HydrophobicContact CD2-CD2 3.77Å; F51-L61 HydrophobicContact CE1-CD1 3.85Å; F51-L61 HydrophobicContact CE1-CG 4.38Å; F51-L61 HydrophobicContact CZ-CD1 4.06Å; I57-L61 HydrophobicContact CG1-CD1 4.31Å; I57-L61 WeakPolarHBondContact O-CB 2.91Å; L61-L98 HydrophobicContact CD1-CD1 3.73Å; L61-L98 HydrophobicContact CD1-CD2 3.86Å; L61-L98 HydrophobicContact CD1-CG 4.34Å; L61-V109 HydrophobicContact CB-CG2 3.78Å; L61-V109 HydrophobicContact CD1-CG2 4.08Å; L61-V109 HydrophobicContact CD2-CG2 4.28Å; L61-V109 HydrophobicContact CG-CG2 4.27Å; L61-T111 HydrophobicContact CD2-CG2 4.3Å
62	V	92.7	Very high	81.3	Confident	47 Å²	47	70.4 Å²	70.4	29%	0.285	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	105.2	173.3	-176.3	0	0	0	0	108	V109 S110 L154 K155	V62-V109 WeakPolarHBondContact O-CA 3.29Å; V62-S110 PolarHBondContact N-O 3.22Å; V62-S110 PolarHBondContact O-N 3.36Å; V62-S110 PolarHBondContact O-OG 3.28Å; V62-L154 HydrophobicContact CB-CB 4.03Å; V62-L154 HydrophobicContact CB-CD1 4.49Å; V62-L154 HydrophobicContact CG1-CB 3.85Å; V62-L154 HydrophobicContact CG2-CB 4.37Å; V62-L154 HydrophobicContact CG2-CD1 4.26Å; V62-K155 HydrophobicContact CG1-CG 3.86Å
63	V	91.3	Very high	79.9	Confident	61 Å²	61	72.6 Å²	72.6	37%	0.37	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	133.7	171.5	-177.6	0	0	0	0	108.9	V109	V63-V109 HydrophobicContact CG2-CG2 4.13Å
64	S	89.7	Confident	78.4	Confident	5 Å²	5	75.3 Å²	75.3	4%	0.035	42%	0.416	C	S	.	.			trans	-70.1	149.4	179.7	-171.1	0	0	0	0	111.9	A66 A108 K155 F157	S64-A66 VanDerWaalsContact OG-CB 3.29Å; S64-A66 WeakPolarHBondContact OG-CB 3.43Å; S64-A66 PolarHBondContact OG-N 2.85Å; S64-A66 VanDerWaalsContact OG-N 3.14Å; S64-A108 PolarHBondContact N-O 3.02Å; S64-K155 PolarHBondContact OG-O 3.24Å; S64-F157 WeakPolarHBondContact CB-O 3.47Å; S64-F157 PolarHBondContact OG-N 2.94Å; S64-F157 PolarHBondContact OG-O 3.18Å
65	Q	84.9	Confident	77	Confident	141 Å²	141	75.6 Å²	75.6	66%	0.659	41%	0.413	S	S	*	.			trans	-118.5	13.6	172.2	-58.9	-178.4	-5	0	0	111	K155	Q65-K155 PolarHBondContact N-O 2.9Å
66	A	80.2	Confident	75.6	Confident	3 Å²	3	73.3 Å²	73.3	3%	0.025	40%	0.398	C	S	.	.			trans	-65.6	163.3	-178	0	0	0	0	0	113.1	S64 Y78 N158	S64-A66 VanDerWaalsContact OG-CB 3.29Å; S64-A66 WeakPolarHBondContact OG-CB 3.43Å; S64-A66 PolarHBondContact OG-N 2.85Å; S64-A66 VanDerWaalsContact OG-N 3.14Å; A66-Y78 HydrophobicContact CB-CD2 3.96Å; A66-Y78 HydrophobicContact CB-CE2 4.3Å; A66-N158 HydrophobicContact CB-CB 4.04Å
67	R	74.4	Confident	74.7	Confident	151 Å²	151	76.5 Å²	76.5	57%	0.57	41%	0.411	S	S	*	.	B	Isolated β-bridge	trans	-123	149.1	163.3	-58.1	-173.3	-172.8	179.7	6	109	A76 K77	R67-A76 CarbonylContact C-O 3.55Å; R67-A76 VanDerWaalsContact CA-O 3.28Å; R67-A76 WeakPolarHBondContact CA-O 3.25Å; R67-K77 HydrophobicContact CG-CG 4.42Å
68	K	66.3	Low	74.3	Confident	56 Å²	56	75.8 Å²	75.8	24%	0.243	41%	0.406	C	S	.	.			trans	-89.6	106.9	179.1	-179.5	166.1	-178.8	159.3	0	109.5	G70 A76 Y78 D159	K68-G70 PolarHBondContact O-N 2.92Å; K68-A76 PolarHBondContact N-O 3.43Å; K68-Y78 HydrophobicContact CB-CE2 4.25Å; K68-D159 WeakPolarHBondContact CE-OD2 3.35Å; K68-D159 IonicContact NZ-OD2 3.36Å; K68-D159 PolarHBondContact NZ-OD2 2.76Å
69	D	61.3	Low	74.1	Confident	112 Å²	112	73.9 Å²	73.9	60%	0.599	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	128.6	-179.6	-35.9	-70.8	0	0	0	111.1	K160	D69-K160 PolarHBondContact O-NZ 3.23Å; D69-K160 VanDerWaalsContact O-NZ 3.09Å; D69-K160 IonicContact OD2-NZ 3.25Å; D69-K160 PolarHBondContact OD2-NZ 3.28Å
70	G	62.1	Low	74	Confident	89 Å²	89	67.4 Å²	67.4	92%	0.918	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.5	-1.3	173.9	0	0	0	0	0	115.5	K68	K68-G70 PolarHBondContact O-N 2.92Å
71	M	59.7	Low	74	Confident	101 Å²	101	67.5 Å²	67.5	50%	0.498	37%	0.374	S	S	.	.	S	Bend	trans	-105	160.9	175.7	-153.7	68.5	173.8	0	0	111.1	I75 A76	M71-I75 HydrophobicContact CE-CB 4.43Å; M71-I75 HydrophobicContact CE-CD1 4.1Å; M71-I75 HydrophobicContact CE-CG2 3.9Å; M71-I75 HydrophobicContact CG-CB 3.86Å; M71-I75 HydrophobicContact CG-CG2 3.88Å; M71-A76 HydrophobicContact CB-CB 4.03Å
72	D	58.9	Low	74	Confident	104 Å²	104	67.7 Å²	67.7	56%	0.556	37%	0.373	S	S	*	.			trans	-56.3	140.5	171.5	-172.6	-71.2	0	0	0	110.8	S74 I75 A76	D72-S74 PolarHBondContact O-N 3.28Å; D72-S74 WeakPolarHBondContact OD1-CB 3.27Å; D72-S74 PolarHBondContact OD1-N 3.34Å; D72-S74 PolarHBondContact OD1-OG 3.3Å; D72-I75 PolarHBondContact O-N 2.88Å; D72-A76 VanDerWaalsContact O-CB 3.29Å; D72-A76 WeakPolarHBondContact O-CB 3.31Å; D72-A76 PolarHBondContact O-N 3.2Å
73	D	59.8	Low	74	Confident	107 Å²	107	67 Å²	67	57%	0.572	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-23.2	-177.5	-109.9	-40.7	0	0	0	114.1	K77	D73-K77 PolarHBondContact O-NZ 2.85Å; D73-K77 IonicContact OD1-NZ 2.77Å
74	S	57	Low	74	Confident	92 Å²	92	64.4 Å²	64.4	64%	0.643	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.2	176	59.4	0	0	0	0	114.8	D72	D72-S74 PolarHBondContact O-N 3.28Å; D72-S74 WeakPolarHBondContact OD1-CB 3.27Å; D72-S74 PolarHBondContact OD1-N 3.34Å; D72-S74 PolarHBondContact OD1-OG 3.3Å
75	I	58.8	Low	74.2	Confident	76 Å²	76	66.4 Å²	66.4	39%	0.39	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-22	-178.3	-55.1	170	0	0	0	111	M71 D72 K77	M71-I75 HydrophobicContact CE-CB 4.43Å; M71-I75 HydrophobicContact CE-CD1 4.1Å; M71-I75 HydrophobicContact CE-CG2 3.9Å; M71-I75 HydrophobicContact CG-CB 3.86Å; M71-I75 HydrophobicContact CG-CG2 3.88Å; D72-I75 PolarHBondContact O-N 2.88Å; I75-K77 PolarHBondContact O-N 3.3Å
76	A	59.5	Low	74.4	Confident	6 Å²	6	62.2 Å²	62.2	5%	0.05	35%	0.348	C	S	.	.	S	Bend	trans	-68.2	2.4	-174.3	0	0	0	0	0	116.2	R67 K68 M71 D72	R67-A76 CarbonylContact C-O 3.55Å; R67-A76 VanDerWaalsContact CA-O 3.28Å; R67-A76 WeakPolarHBondContact CA-O 3.25Å; K68-A76 PolarHBondContact N-O 3.43Å; M71-A76 HydrophobicContact CB-CB 4.03Å; D72-A76 VanDerWaalsContact O-CB 3.29Å; D72-A76 WeakPolarHBondContact O-CB 3.31Å; D72-A76 PolarHBondContact O-N 3.2Å
77	K	68.7	Low	74.8	Confident	72 Å²	72	62.5 Å²	62.5	31%	0.313	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-109.2	137	-172.6	-62.3	-173.7	178.8	84	0	110.6	R67 D73 I75 D79	R67-K77 HydrophobicContact CG-CG 4.42Å; D73-K77 PolarHBondContact O-NZ 2.85Å; D73-K77 IonicContact OD1-NZ 2.77Å; I75-K77 PolarHBondContact O-N 3.3Å; K77-D79 HydrophobicContact CB-CB 4.07Å; K77-D79 PolarHBondContact O-N 2.83Å
78	Y	78.4	Confident	75.3	Confident	17 Å²	17	61.9 Å²	61.9	7%	0.067	35%	0.348	C	S	.	.			trans	-78	68.8	165.5	-66.9	-86.3	0	0	0	108.6	A66 K68 H106 A108 N158 D159 E404	A66-Y78 HydrophobicContact CB-CD2 3.96Å; A66-Y78 HydrophobicContact CB-CE2 4.3Å; K68-Y78 HydrophobicContact CB-CE2 4.25Å; Y78-H106 CarbonylContact C-O 3.59Å; Y78-H106 WeakPolarHBondContact CA-O 3.35Å; Y78-H106 HydrophobicContact CD1-CB 3.64Å; Y78-H106 HydrophobicContact CE1-CB 3.89Å; Y78-H106 HydrophobicContact CG-CB 4.33Å; Y78-A108 HydrophobicContact CD1-CB 3.44Å; Y78-A108 VanDerWaalsContact CD1-CB 3.44Å; Y78-A108 HydrophobicContact CE1-CB 4.07Å; Y78-A108 HydrophobicContact CG-CB 3.88Å; Y78-N158 HydrophobicContact CE2-CB 3.69Å; Y78-D159 WeakPolarHBondContact OH-CB 3.33Å; Y78-D159 VanDerWaalsContact OH-CG 3.31Å; Y78-D159 PolarHBondContact OH-N 2.89Å; Y78-D159 PolarHBondContact OH-OD1 2.91Å; Y78-E404 HydrophobicContact CE1-CG 3.66Å
79	D	81.6	Confident	75.9	Confident	74 Å²	74	61.7 Å²	61.7	40%	0.396	36%	0.356	S	S	.	.			trans	-102	14.7	-173.6	78.9	-38.9	0	0	0	113.5	K77 K105 H106	K77-D79 HydrophobicContact CB-CB 4.07Å; K77-D79 PolarHBondContact O-N 2.83Å; D79-K105 WeakPolarHBondContact O-CD 3.44Å; D79-K105 PolarHBondContact O-NZ 3.48Å; D79-K105 VanDerWaalsContact O-NZ 3.14Å; D79-K105 WeakPolarHBondContact OD1-CD 3.27Å; D79-K105 IonicContact OD1-NZ 3.94Å; D79-K105 WeakPolarHBondContact OD2-CE 3.47Å; D79-K105 IonicContact OD2-NZ 2.74Å; D79-K105 PolarHBondContact OD2-NZ 3.04Å; D79-H106 PolarHBondContact N-O 3.03Å
80	G	85.7	Confident	76.9	Confident	9 Å²	9	56.7 Å²	56.7	9%	0.093	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.6	133.7	171.7	0	0	0	0	0	112.9	H106 H107	G80-H106 PolarHBondContact N-O 3.17Å; G80-H107 WeakPolarHBondContact CA-CD2 3.45Å; G80-H107 WeakPolarHBondContact CA-NE2 3.41Å
81	V	90.5	Very high	77.8	Confident	81 Å²	81	52.8 Å²	52.8	49%	0.491	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-90.6	126	-177.9	-178.2	0	0	0	0	110.8	K101 S102 H107	V81-K101 HydrophobicContact CB-CB 4.43Å; V81-K101 HydrophobicContact CG1-CB 4.48Å; V81-K101 WeakPolarHBondContact O-CB 3.29Å; V81-K101 PolarHBondContact O-N 3.09Å; V81-S102 PolarHBondContact N-OG 3.22Å; V81-S102 VanDerWaalsContact N-OG 3.15Å; V81-H107 PolarHBondContact N-NE2 3.46Å
82	W	92.3	Very high	79	Confident	17 Å²	17	48.5 Å²	48.5	6%	0.064	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	144.7	168.7	-65.6	100.9	0	0	0	110.6	I57 L98 L100 H107 V109 L403 L405 F414	I57-W82 HydrophobicContact CD1-CB 3.93Å; W82-L98 HydrophobicContact CB-CD1 4.1Å; W82-L98 HydrophobicContact CD2-CD1 4.18Å; W82-L98 HydrophobicContact CD2-CG 4.5Å; W82-L98 HydrophobicContact CE3-CD1 3.66Å; W82-L98 HydrophobicContact CE3-CD2 4.06Å; W82-L98 HydrophobicContact CE3-CG 3.62Å; W82-L98 HydrophobicContact CG-CD1 4.42Å; W82-L98 HydrophobicContact CZ3-CD1 4.38Å; W82-L98 HydrophobicContact CZ3-CD2 3.98Å; W82-L98 HydrophobicContact CZ3-CG 3.83Å; W82-L100 HydrophobicContact CE3-CB 4.39Å; W82-L100 HydrophobicContact CH2-CD1 4.38Å; W82-L100 HydrophobicContact CZ3-CB 4.07Å; W82-H107 HydrophobicContact CH2-CB 4.44Å; W82-H107 HydrophobicContact CZ2-CB 3.57Å; W82-V109 HydrophobicContact CD2-CB 4.44Å; W82-V109 HydrophobicContact CD2-CG1 4.01Å; W82-V109 VanDerWaalsContact CE2-CG1 3.43Å; W82-V109 HydrophobicContact CH2-CG1 3.98Å; W82-V109 HydrophobicContact CZ2-CB 4.25Å; W82-V109 HydrophobicContact CZ2-CG1 3.41Å; W82-V109 VanDerWaalsContact CZ2-CG1 3.41Å; W82-L403 HydrophobicContact CH2-CB 4.16Å; W82-L403 HydrophobicContact CH2-CD2 4.48Å; W82-L403 HydrophobicContact CZ2-CB 4.28Å; W82-L405 HydrophobicContact CH2-CD1 4.17Å; W82-F414 HydrophobicContact CH2-CD2 4.49Å; W82-F414 HydrophobicContact CH2-CE2 4.16Å; W82-F414 HydrophobicContact CZ3-CD2 4.04Å; W82-F414 HydrophobicContact CZ3-CE2 4.01Å
83	S	92.3	Very high	80.2	Confident	34 Å²	34	47.5 Å²	47.5	24%	0.238	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.6	173.1	-176.9	0	0	0	0	109.1	E85 V99	S83-E85 VanDerWaalsContact CB-OE2 3.29Å; S83-E85 WeakPolarHBondContact CB-OE2 3.28Å; S83-E85 PolarHBondContact OG-OE2 3.42Å; S83-V99 PolarHBondContact N-O 3.41Å; S83-V99 PolarHBondContact O-N 2.71Å
84	V	92.8	Very high	81.4	Confident	5 Å²	5	47 Å²	47	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	107.2	165.7	169.2	0	0	0	0	107.1	F51 S53 P54 I57 Y96 A97 L98	F51-V84 HydrophobicContact CB-CG1 3.69Å; F51-V84 HydrophobicContact CD1-CG1 3.96Å; F51-V84 HydrophobicContact CD1-CG2 3.78Å; F51-V84 HydrophobicContact CE1-CG2 3.98Å; F51-V84 HydrophobicContact CG-CG1 3.93Å; F51-V84 HydrophobicContact CG-CG2 4.31Å; S53-V84 WeakPolarHBondContact O-CG1 3.32Å; P54-V84 WeakPolarHBondContact CA-O 3.24Å; P54-V84 WeakPolarHBondContact CB-O 3.33Å; I57-V84 HydrophobicContact CB-CB 4.25Å; I57-V84 HydrophobicContact CB-CG2 3.7Å; I57-V84 HydrophobicContact CD1-CG2 4.31Å; I57-V84 HydrophobicContact CG1-CG2 4.07Å; V84-Y96 HydrophobicContact CG1-CD1 4.44Å; V84-A97 WeakPolarHBondContact CA-O 3.07Å; V84-L98 HydrophobicContact CG2-CD1 4.08Å
85	E	92.1	Very high	83	Confident	48 Å²	48	43 Å²	43	22%	0.224	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.2	-170.4	60.3	-176.6	-130.2	0	0	110.3	S83 P87 A97 V99 K101	S83-E85 VanDerWaalsContact CB-OE2 3.29Å; S83-E85 WeakPolarHBondContact CB-OE2 3.28Å; S83-E85 PolarHBondContact OG-OE2 3.42Å; E85-P87 WeakPolarHBondContact O-CD 3.36Å; E85-A97 PolarHBondContact N-O 2.76Å; E85-A97 VanDerWaalsContact N-O 3.11Å; E85-A97 PolarHBondContact O-N 3.02Å; E85-V99 HydrophobicContact CG-CB 4.01Å; E85-V99 HydrophobicContact CG-CG2 3.6Å; E85-K101 IonicContact OE1-NZ 2.62Å; E85-K101 PolarHBondContact OE1-NZ 3.31Å; E85-K101 WeakPolarHBondContact OE2-CE 3.44Å; E85-K101 IonicContact OE2-NZ 3.37Å; E85-K101 PolarHBondContact OE2-NZ 3.23Å
86	V	90.8	Very high	84.6	Confident	53 Å²	53	41.8 Å²	41.8	32%	0.321	22%	0.22	S	C	.	.			trans	-73.8	125.5	171.9	-180	0	0	0	0	108.2	Y88 D95 Y96	V86-Y88 PolarHBondContact O-N 3.15Å; V86-D95 WeakPolarHBondContact CA-O 3.32Å; V86-Y96 HydrophobicContact CG2-CD1 3.96Å; V86-Y96 HydrophobicContact CG2-CD2 4.34Å; V86-Y96 HydrophobicContact CG2-CE1 3.92Å; V86-Y96 HydrophobicContact CG2-CE2 4.32Å; V86-Y96 HydrophobicContact CG2-CG 4.16Å
87	P	88.4	Confident	86.2	Confident	8 Å²	8	41.7 Å²	41.7	5%	0.052	22%	0.219	C	C	.	.			trans	-52.3	137.3	175.5	-28.5	36.4	0	0	0	111.6	E85 A89 S90 D95 A97 Q133 A413	E85-P87 WeakPolarHBondContact O-CD 3.36Å; P87-A89 PolarHBondContact O-N 2.71Å; P87-A89 VanDerWaalsContact O-N 3.16Å; P87-S90 WeakPolarHBondContact O-CB 3.37Å; P87-S90 PolarHBondContact O-N 3.01Å; P87-D95 VanDerWaalsContact CD-O 3.28Å; P87-D95 WeakPolarHBondContact CD-O 3.17Å; P87-A97 HydrophobicContact CG-CB 3.94Å; P87-Q133 VanDerWaalsContact CA-OE1 3.22Å; P87-Q133 HydrophobicContact CB-CG 4.39Å; P87-Q133 VanDerWaalsContact CB-OE1 3.28Å; P87-A413 HydrophobicContact CG-CB 4.15Å
88	Y	83.8	Confident	87.4	Confident	139 Å²	139	38.2 Å²	38.2	55%	0.545	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.8	-171.9	65.1	-106.5	0	0	0	112.5	V86 Q133 D134	V86-Y88 PolarHBondContact O-N 3.15Å; Y88-Q133 HydrophobicContact CD1-CB 4.43Å; Y88-Q133 HydrophobicContact CE1-CB 3.61Å; Y88-Q133 HydrophobicContact CE1-CG 4.29Å; Y88-Q133 VanDerWaalsContact OH-C 3.29Å; Y88-Q133 PolarHBondContact OH-O 3.08Å; Y88-D134 PolarHBondContact OH-OD1 3.27Å; Y88-D134 VanDerWaalsContact OH-OD1 3.08Å; Y88-D134 PolarHBondContact OH-OD2 3.43Å
89	A	80.4	Confident	88.2	Confident	51 Å²	51	37.5 Å²	37.5	42%	0.421	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	30.6	173.1	0	0	0	0	0	112.3	P87 K131	P87-A89 PolarHBondContact O-N 2.71Å; P87-A89 VanDerWaalsContact O-N 3.16Å; A89-K131 PolarHBondContact O-NZ 3.28Å
90	S	81.5	Confident	88.8	Confident	7 Å²	7	34 Å²	34	5%	0.049	18%	0.182	C	C	.	.			trans	-70	132.4	175.5	-172.1	0	0	0	0	111.4	K33 P87 M92	K33-S90 PolarHBondContact NZ-O 3.43Å; P87-S90 WeakPolarHBondContact O-CB 3.37Å; P87-S90 PolarHBondContact O-N 3.01Å; S90-M92 VanDerWaalsContact C-N 3.31Å; S90-M92 PolarHBondContact OG-N 3Å; S90-M92 PolarHBondContact OG-O 3.41Å
91	A	80.9	Confident	89	Confident	8 Å²	8	37.8 Å²	37.8	7%	0.066	20%	0.196	C	C	.	.	S	Bend	trans	-83.5	-8.6	172.8	0	0	0	0	0	113	K33 A440 E441 A444	K33-A91 WeakPolarHBondContact CB-O 3.45Å; K33-A91 WeakPolarHBondContact CG-O 3.35Å; A91-A440 HydrophobicContact CB-CB 3.7Å; A91-A440 WeakPolarHBondContact CB-O 3.24Å; A91-E441 HydrophobicContact CB-CB 4.33Å; A91-E441 HydrophobicContact CB-CG 3.72Å; A91-A444 HydrophobicContact CB-CB 4.23Å
92	M	85	Confident	89	Confident	11 Å²	11	34.8 Å²	34.8	5%	0.054	18%	0.179	C	C	.	.	S	Bend	trans	-110.5	149.3	179.7	-66.7	-162.5	60.4	0	0	112	P34 F36 S90 D95 I436 K437 A440	P34-M92 HydrophobicContact CB-CE 4.32Å; P34-M92 HydrophobicContact CG-CG 4.18Å; P34-M92 VanDerWaalsContact O-CA 3.29Å; P34-M92 WeakPolarHBondContact O-CA 3.38Å; P34-M92 WeakPolarHBondContact O-CB 3.45Å; F36-M92 HydrophobicContact CB-CE 4.47Å; S90-M92 VanDerWaalsContact C-N 3.31Å; S90-M92 PolarHBondContact OG-N 3Å; S90-M92 PolarHBondContact OG-O 3.41Å; M92-D95 HydrophobicContact CB-CB 3.76Å; M92-I436 HydrophobicContact CE-CG2 3.93Å; M92-I436 HydrophobicContact SD-CB 4.43Å; M92-I436 HydrophobicContact SD-CG2 3.97Å; M92-K437 HydrophobicContact CG-CG 4.49Å; M92-K437 HydrophobicContact SD-CB 4.24Å; M92-K437 HydrophobicContact SD-CG 3.55Å; M92-K437 VanDerWaalsContact SD-CG 3.55Å; M92-A440 HydrophobicContact CG-CB 4.06Å
93	E	83.9	Confident	88.9	Confident	83 Å²	83	40 Å²	40	39%	0.388	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-85.3	135.9	172.9	-94.2	169.7	-138.5	0	0	111	K33 P34 S35 F36 D95	K33-E93 HydrophobicContact CB-CB 4.38Å; K33-E93 HydrophobicContact CB-CG 3.93Å; P34-E93 PolarHBondContact O-N 3.39Å; S35-E93 WeakPolarHBondContact CA-O 3.4Å; F36-E93 PolarHBondContact N-O 2.91Å; E93-D95 PolarHBondContact O-N 3.39Å
94	N	85.7	Confident	88.7	Confident	96 Å²	96	40.5 Å²	40.5	51%	0.513	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	23.7	-179.2	-51.3	-46.1	0	0	0	115.4	Y96	N94-Y96 HydrophobicContact CB-CE2 4.36Å; N94-Y96 VanDerWaalsContact O-CD2 3.27Å; N94-Y96 WeakPolarHBondContact O-CD2 3.24Å; N94-Y96 PolarHBondContact O-N 3.06Å
95	D	89.3	Confident	88.5	Confident	7 Å²	7	43.2 Å²	43.2	4%	0.037	22%	0.219	C	C	.	.			trans	-83.8	91.9	174.5	-171.9	50.8	0	0	0	110.3	F36 V86 P87 M92 E93 K437	F36-D95 HydrophobicContact CB-CB 4.39Å; F36-D95 WeakPolarHBondContact CD2-OD1 3.44Å; V86-D95 WeakPolarHBondContact CA-O 3.32Å; P87-D95 VanDerWaalsContact CD-O 3.28Å; P87-D95 WeakPolarHBondContact CD-O 3.17Å; M92-D95 HydrophobicContact CB-CB 3.76Å; E93-D95 PolarHBondContact O-N 3.39Å; D95-K437 WeakPolarHBondContact OD1-CE 3.23Å; D95-K437 IonicContact OD1-NZ 3.77Å; D95-K437 PolarHBondContact OD1-NZ 2.82Å; D95-K437 WeakPolarHBondContact OD2-CE 3.46Å; D95-K437 IonicContact OD2-NZ 3.62Å; D95-K437 PolarHBondContact OD2-NZ 3.42Å
96	Y	92.1	Very high	88.4	Confident	52 Å²	52	41.9 Å²	41.9	20%	0.204	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-83.9	137.1	-179.9	-67.9	-92.3	0	0	0	110.8	N52 P54 V84 V86 N94	N52-Y96 WeakPolarHBondContact O-CD2 3.42Å; N52-Y96 WeakPolarHBondContact O-CE2 3.33Å; P54-Y96 HydrophobicContact CG-CD1 4.26Å; P54-Y96 HydrophobicContact CG-CE1 3.75Å; V84-Y96 HydrophobicContact CG1-CD1 4.44Å; V86-Y96 HydrophobicContact CG2-CD1 3.96Å; V86-Y96 HydrophobicContact CG2-CD2 4.34Å; V86-Y96 HydrophobicContact CG2-CE1 3.92Å; V86-Y96 HydrophobicContact CG2-CE2 4.32Å; V86-Y96 HydrophobicContact CG2-CG 4.16Å; N94-Y96 HydrophobicContact CB-CE2 4.36Å; N94-Y96 VanDerWaalsContact O-CD2 3.27Å; N94-Y96 WeakPolarHBondContact O-CD2 3.24Å; N94-Y96 PolarHBondContact O-N 3.06Å
97	A	93.6	Very high	88.4	Confident	3 Å²	3	39.3 Å²	39.3	3%	0.025	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	158	175.2	0	0	0	0	0	110.8	V84 E85 P87 V99 A413 D415	V84-A97 WeakPolarHBondContact CA-O 3.07Å; E85-A97 PolarHBondContact N-O 2.76Å; E85-A97 VanDerWaalsContact N-O 3.11Å; E85-A97 PolarHBondContact O-N 3.02Å; P87-A97 HydrophobicContact CG-CB 3.94Å; A97-V99 PolarHBondContact O-N 3.28Å; A97-A413 HydrophobicContact CB-CB 3.97Å; A97-D415 HydrophobicContact CB-CB 4.23Å
98	L	95.3	Very high	88.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	109	169.4	176.1	66	0	0	0	108.9	F51 L61 W82 V84 V109 L403 A413 F414	F51-L98 HydrophobicContact CE2-CB 3.71Å; F51-L98 HydrophobicContact CZ-CB 3.73Å; F51-L98 HydrophobicContact CZ-CD2 4.49Å; L61-L98 HydrophobicContact CD1-CD1 3.73Å; L61-L98 HydrophobicContact CD1-CD2 3.86Å; L61-L98 HydrophobicContact CD1-CG 4.34Å; W82-L98 HydrophobicContact CB-CD1 4.1Å; W82-L98 HydrophobicContact CD2-CD1 4.18Å; W82-L98 HydrophobicContact CD2-CG 4.5Å; W82-L98 HydrophobicContact CE3-CD1 3.66Å; W82-L98 HydrophobicContact CE3-CD2 4.06Å; W82-L98 HydrophobicContact CE3-CG 3.62Å; W82-L98 HydrophobicContact CG-CD1 4.42Å; W82-L98 HydrophobicContact CZ3-CD1 4.38Å; W82-L98 HydrophobicContact CZ3-CD2 3.98Å; W82-L98 HydrophobicContact CZ3-CG 3.83Å; V84-L98 HydrophobicContact CG2-CD1 4.08Å; L98-V109 HydrophobicContact CD2-CG1 4.1Å; L98-L403 HydrophobicContact CD2-CD1 4.41Å; L98-A413 CarbonylContact O-C 3.56Å; L98-A413 WeakPolarHBondContact O-CA 3.28Å; L98-F414 HydrophobicContact CB-CB 4.44Å; L98-F414 PolarHBondContact N-O 3.33Å; L98-F414 PolarHBondContact O-N 2.9Å
99	V	94.4	Very high	89.2	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.8	-175.8	-173.1	0	0	0	0	111.4	S83 E85 A97 K101 I412 A413	S83-V99 PolarHBondContact N-O 3.41Å; S83-V99 PolarHBondContact O-N 2.71Å; E85-V99 HydrophobicContact CG-CB 4.01Å; E85-V99 HydrophobicContact CG-CG2 3.6Å; A97-V99 PolarHBondContact O-N 3.28Å; V99-K101 HydrophobicContact CB-CD 4.19Å; V99-K101 HydrophobicContact CG1-CD 3.73Å; V99-K101 HydrophobicContact CG1-CG 4.47Å; V99-I412 WeakPolarHBondContact CA-O 3.5Å; V99-A413 HydrophobicContact CG2-CB 3.98Å
100	L	93.2	Very high	89.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.1	169.5	-173.3	150.2	0	0	0	109.2	W82 S102 H107 L405 G411 I412	W82-L100 HydrophobicContact CE3-CB 4.39Å; W82-L100 HydrophobicContact CH2-CD1 4.38Å; W82-L100 HydrophobicContact CZ3-CB 4.07Å; L100-S102 WeakPolarHBondContact CD2-O 3.09Å; L100-H107 HydrophobicContact CD1-CB 4.07Å; L100-L405 HydrophobicContact CD1-CD1 4.46Å; L100-G411 PolarHBondContact O-N 3.36Å; L100-I412 HydrophobicContact CB-CB 4.25Å; L100-I412 PolarHBondContact N-O 2.8Å
101	K	91.2	Very high	90.5	Very high	90 Å²	90	30.8 Å²	30.8	39%	0.391	16%	0.155	S	C	.	.			trans	-105.3	-2.6	-168.8	-61.6	-68.5	-69.4	-163.5	0	115.4	V81 E85 V99	V81-K101 HydrophobicContact CB-CB 4.43Å; V81-K101 HydrophobicContact CG1-CB 4.48Å; V81-K101 WeakPolarHBondContact O-CB 3.29Å; V81-K101 PolarHBondContact O-N 3.09Å; E85-K101 IonicContact OE1-NZ 2.62Å; E85-K101 PolarHBondContact OE1-NZ 3.31Å; E85-K101 WeakPolarHBondContact OE2-CE 3.44Å; E85-K101 IonicContact OE2-NZ 3.37Å; E85-K101 PolarHBondContact OE2-NZ 3.23Å; V99-K101 HydrophobicContact CB-CD 4.19Å; V99-K101 HydrophobicContact CG1-CD 3.73Å; V99-K101 HydrophobicContact CG1-CG 4.47Å
102	S	90.3	Very high	91.1	Very high	18 Å²	18	37 Å²	37	13%	0.126	18%	0.18	C	C	.	.			trans	-119.3	132	-175.8	-54	0	0	0	0	113	V81 L100 H107	V81-S102 PolarHBondContact N-OG 3.22Å; V81-S102 VanDerWaalsContact N-OG 3.15Å; L100-S102 WeakPolarHBondContact CD2-O 3.09Å; S102-H107 PolarHBondContact O-CE1 3.15Å
103	K	90.8	Very high	91.6	Very high	126 Å²	126	37.4 Å²	37.4	55%	0.548	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	143	172.2	-62.4	-173.1	179.8	-173	0	111.5	K105 M408 D410	K103-K105 PolarHBondContact O-N 2.62Å; K103-M408 WeakPolarHBondContact CB-O 3.14Å; K103-D410 WeakPolarHBondContact CE-OD1 3.31Å; K103-D410 WeakPolarHBondContact CE-OD2 3.03Å; K103-D410 HydrophobicContact CG-CB 3.93Å; K103-D410 IonicContact NZ-OD1 3.84Å
104	A	87.6	Confident	92	Very high	44 Å²	44	40 Å²	40	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	49.9	176.5	0	0	0	0	0	113.2	W406 S407 M408	A104-W406 VanDerWaalsContact C-CZ3 3.44Å; A104-W406 HydrophobicContact CB-CH2 4.08Å; A104-W406 HydrophobicContact CB-CZ2 4.15Å; A104-W406 WeakPolarHBondContact O-CH2 3.45Å; A104-W406 WeakPolarHBondContact O-CZ3 3.44Å; A104-S407 WeakPolarHBondContact CA-O 3.43Å; A104-S407 PolarHBondContact N-O 2.86Å; A104-M408 HydrophobicContact CB-CE 4.27Å; A104-M408 HydrophobicContact CB-SD 3.91Å
105	K	88.5	Confident	92.3	Very high	62 Å²	62	39.9 Å²	39.9	27%	0.27	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.8	177.4	-68.9	-161.5	179.3	-157	0	113	D79 K103 H107 W406	D79-K105 WeakPolarHBondContact O-CD 3.44Å; D79-K105 PolarHBondContact O-NZ 3.48Å; D79-K105 VanDerWaalsContact O-NZ 3.14Å; D79-K105 WeakPolarHBondContact OD1-CD 3.27Å; D79-K105 IonicContact OD1-NZ 3.94Å; D79-K105 WeakPolarHBondContact OD2-CE 3.47Å; D79-K105 IonicContact OD2-NZ 2.74Å; D79-K105 PolarHBondContact OD2-NZ 3.04Å; K103-K105 PolarHBondContact O-N 2.62Å; K105-H107 PolarHBondContact O-CE1 2.95Å; K105-H107 PolarHBondContact O-ND1 3.41Å; K105-W406 VanDerWaalsContact C-CZ3 3.45Å; K105-W406 VanDerWaalsContact CA-CZ3 3.45Å
106	H	89.4	Confident	92.5	Very high	20 Å²	20	42.2 Å²	42.2	9%	0.093	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.8	169	-78.9	-71.1	0	0	0	110.3	Y78 D79 G80 E404 W406	Y78-H106 CarbonylContact C-O 3.59Å; Y78-H106 WeakPolarHBondContact CA-O 3.35Å; Y78-H106 HydrophobicContact CD1-CB 3.64Å; Y78-H106 HydrophobicContact CE1-CB 3.89Å; Y78-H106 HydrophobicContact CG-CB 4.33Å; D79-H106 PolarHBondContact N-O 3.03Å; G80-H106 PolarHBondContact N-O 3.17Å; H106-E404 IonicContact ND1-OE1 3.82Å; H106-W406 HydrophobicContact CB-CE3 4.45Å; H106-W406 AromaticContact CD2-CE3 3.58Å; H106-W406 AromaticContact CD2-CZ3 3.84Å; H106-W406 AromaticContact CE1-CE3 3.74Å; H106-W406 AromaticContact CG-CE3 3.71Å; H106-W406 AromaticContact ND1-CE3 3.83Å; H106-W406 AromaticContact NE2-CE3 3.63Å
107	H	92	Very high	92.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.1	179.5	-66.2	75.9	0	0	0	109	G80 V81 W82 L100 S102 K105 E404 L405	G80-H107 WeakPolarHBondContact CA-CD2 3.45Å; G80-H107 WeakPolarHBondContact CA-NE2 3.41Å; V81-H107 PolarHBondContact N-NE2 3.46Å; W82-H107 HydrophobicContact CH2-CB 4.44Å; W82-H107 HydrophobicContact CZ2-CB 3.57Å; L100-H107 HydrophobicContact CD1-CB 4.07Å; S102-H107 PolarHBondContact O-CE1 3.15Å; K105-H107 PolarHBondContact O-CE1 2.95Å; K105-H107 PolarHBondContact O-ND1 3.41Å; H107-E404 WeakPolarHBondContact O-CA 3.41Å; H107-L405 PolarHBondContact N-O 3.15Å; H107-L405 PolarHBondContact O-N 3.04Å
108	A	93.6	Very high	92.5	Very high	3 Å²	3	44 Å²	44	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	120.9	176.1	0	0	0	0	0	111.1	S64 Y78 F157 L403 E404	S64-A108 PolarHBondContact N-O 3.02Å; Y78-A108 HydrophobicContact CD1-CB 3.44Å; Y78-A108 VanDerWaalsContact CD1-CB 3.44Å; Y78-A108 HydrophobicContact CE1-CB 4.07Å; Y78-A108 HydrophobicContact CG-CB 3.88Å; A108-F157 HydrophobicContact CB-CD1 4.04Å; A108-F157 HydrophobicContact CB-CE1 4.42Å; A108-L403 VanDerWaalsContact CA-O 3.3Å; A108-L403 WeakPolarHBondContact CA-O 3.35Å; A108-E404 HydrophobicContact CB-CG 4.45Å
109	V	94.2	Very high	92.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.8	177.5	66.9	0	0	0	0	109.8	L61 V62 V63 W82 L98 G402 L403	L61-V109 HydrophobicContact CB-CG2 3.78Å; L61-V109 HydrophobicContact CD1-CG2 4.08Å; L61-V109 HydrophobicContact CD2-CG2 4.28Å; L61-V109 HydrophobicContact CG-CG2 4.27Å; V62-V109 WeakPolarHBondContact O-CA 3.29Å; V63-V109 HydrophobicContact CG2-CG2 4.13Å; W82-V109 HydrophobicContact CD2-CB 4.44Å; W82-V109 HydrophobicContact CD2-CG1 4.01Å; W82-V109 VanDerWaalsContact CE2-CG1 3.43Å; W82-V109 HydrophobicContact CH2-CG1 3.98Å; W82-V109 HydrophobicContact CZ2-CB 4.25Å; W82-V109 HydrophobicContact CZ2-CG1 3.41Å; W82-V109 VanDerWaalsContact CZ2-CG1 3.41Å; L98-V109 HydrophobicContact CD2-CG1 4.1Å; V109-G402 CarbonylContact O-C 3.51Å; V109-G402 VanDerWaalsContact O-CA 3.22Å; V109-G402 WeakPolarHBondContact O-CA 3.18Å; V109-L403 HydrophobicContact CG1-CB 4.13Å; V109-L403 HydrophobicContact CG1-CD1 3.92Å; V109-L403 PolarHBondContact N-O 2.89Å; V109-L403 PolarHBondContact O-N 3.39Å
110	S	95.1	Very high	92.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161.4	-176	58.4	0	0	0	0	113.1	V62 L154 I401	V62-S110 PolarHBondContact N-O 3.22Å; V62-S110 PolarHBondContact O-N 3.36Å; V62-S110 PolarHBondContact O-OG 3.28Å; S110-L154 WeakPolarHBondContact OG-CB 3.46Å; S110-I401 CarbonylContact C-O 3.59Å; S110-I401 WeakPolarHBondContact CA-O 3.37Å; S110-I401 WeakPolarHBondContact CB-O 3.45Å
111	T	94.8	Very high	91.9	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.123	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.4	170.8	-168.6	0	0	0	0	111.8	L47 L49 R60 L61 A400 I401	L47-T111 HydrophobicContact CD1-CG2 4.1Å; L47-T111 HydrophobicContact CD2-CG2 4.41Å; L49-T111 HydrophobicContact CD2-CG2 4.23Å; R60-T111 VanDerWaalsContact O-CB 3.22Å; R60-T111 WeakPolarHBondContact O-CB 3.42Å; R60-T111 PolarHBondContact O-OG1 2.97Å; L61-T111 HydrophobicContact CD2-CG2 4.3Å; T111-A400 CarbonylContact O-C 3.54Å; T111-A400 VanDerWaalsContact O-CA 3.24Å; T111-A400 WeakPolarHBondContact O-CA 3.33Å; T111-A400 WeakPolarHBondContact O-CB 3.38Å; T111-I401 HydrophobicContact CG2-CG2 3.47Å; T111-I401 VanDerWaalsContact CG2-CG2 3.47Å; T111-I401 PolarHBondContact N-O 3.43Å; T111-I401 PolarHBondContact O-N 3.2Å
112	K	94	Very high	91.9	Very high	140 Å²	140	52.8 Å²	52.8	61%	0.609	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	143.6	-179.8	-64.5	-171.6	177.5	-175.7	0	110.3	L154	K112-L154 HydrophobicContact CD-CD1 4.43Å; K112-L154 HydrophobicContact CG-CD1 3.57Å
113	L	94.1	Very high	92	Very high	18 Å²	18	53.6 Å²	53.6	9%	0.094	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	153.9	169.5	-55.3	-178.3	0	0	0	110.1	L47 R115 I117 V398 N399 I419	L47-L113 HydrophobicContact CB-CD2 3.73Å; L47-L113 HydrophobicContact CD2-CD2 4.12Å; L47-L113 HydrophobicContact CG-CD2 4.38Å; L113-R115 VanDerWaalsContact CB-O 3.3Å; L113-R115 WeakPolarHBondContact CB-O 3.38Å; L113-R115 PolarHBondContact O-N 3.47Å; L113-I117 HydrophobicContact CD1-CD1 3.55Å; L113-I117 HydrophobicContact CD1-CG1 3.82Å; L113-V398 HydrophobicContact CD1-CB 4.38Å; L113-V398 HydrophobicContact CD1-CG1 3.81Å; L113-N399 PolarHBondContact N-O 3.45Å; L113-I419 HydrophobicContact CD2-CD1 3.98Å
114	F	92.9	Very high	92.3	Very high	137 Å²	137	47.6 Å²	47.6	60%	0.601	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	-30.7	173.6	-54.5	-36.9	0	0	0	111.9	Y46 V48	Y46-F114 PolarHBondContact O-N 2.71Å; V48-F114 HydrophobicContact CB-CE2 4.38Å; V48-F114 HydrophobicContact CG2-CE2 4.49Å; V48-F114 VanDerWaalsContact N-CE2 3.33Å
115	R	92.1	Very high	92.7	Very high	94 Å²	94	45.5 Å²	45.5	36%	0.355	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.9	175.2	69.5	-167.7	-177	162.3	3.6	109.5	N44 Y46 L113	N44-R115 PolarHBondContact O-NH2 3.13Å; Y46-R115 HydrophobicContact CD1-CG 3.4Å; Y46-R115 VanDerWaalsContact CD1-CG 3.4Å; Y46-R115 HydrophobicContact CE1-CG 3.83Å; Y46-R115 HydrophobicContact CG-CG 4.22Å; L113-R115 VanDerWaalsContact CB-O 3.3Å; L113-R115 WeakPolarHBondContact CB-O 3.38Å; L113-R115 PolarHBondContact O-N 3.47Å
116	P	93.3	Very high	93.1	Very high	56 Å²	56	42.6 Å²	42.6	36%	0.364	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	146.1	176.9	28.7	-36	0	0	0	111.5	V398 N399	P116-V398 CarbonylContact C-O 3.48Å; P116-V398 VanDerWaalsContact CA-O 3.26Å; P116-V398 WeakPolarHBondContact CA-O 3.27Å; P116-N399 WeakPolarHBondContact CB-OD1 3.29Å
117	I	94.5	Very high	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.1	171.4	-59.5	159.1	0	0	0	107.9	Y46 L113 F119 L124 L145 E397 V398 I419	Y46-I117 HydrophobicContact CD1-CB 4.3Å; Y46-I117 HydrophobicContact CD1-CD1 4.48Å; Y46-I117 HydrophobicContact CD1-CG1 3.37Å; Y46-I117 HydrophobicContact CD2-CG1 4.35Å; Y46-I117 HydrophobicContact CE1-CB 4.34Å; Y46-I117 HydrophobicContact CE1-CG1 3.83Å; Y46-I117 HydrophobicContact CG-CD1 4.37Å; Y46-I117 HydrophobicContact CG-CG1 3.68Å; L113-I117 HydrophobicContact CD1-CD1 3.55Å; L113-I117 HydrophobicContact CD1-CG1 3.82Å; I117-F119 HydrophobicContact CG2-CD1 4.31Å; I117-F119 HydrophobicContact CG2-CD2 4.25Å; I117-F119 HydrophobicContact CG2-CE1 4.17Å; I117-F119 HydrophobicContact CG2-CE2 4.09Å; I117-F119 HydrophobicContact CG2-CG 4.35Å; I117-F119 HydrophobicContact CG2-CZ 4.05Å; I117-L124 HydrophobicContact CD1-CD1 4.36Å; I117-L124 HydrophobicContact CG2-CD1 4.15Å; I117-L124 HydrophobicContact CG2-CD2 3.95Å; I117-L145 HydrophobicContact CD1-CD2 4.37Å; I117-E397 CarbonylContact O-C 3.57Å; I117-E397 WeakPolarHBondContact O-CA 3.41Å; I117-E397 WeakPolarHBondContact O-CB 3.44Å; I117-V398 HydrophobicContact CB-CB 4.2Å; I117-V398 HydrophobicContact CD1-CB 4.26Å; I117-V398 HydrophobicContact CD1-CG1 4.38Å; I117-V398 PolarHBondContact N-O 3.32Å; I117-V398 PolarHBondContact O-N 3.14Å; I117-I419 HydrophobicContact CD1-CD1 4.48Å; I117-I419 HydrophobicContact CD1-CG2 3.83Å
118	K	91.7	Very high	93.8	Very high	94 Å²	94	41.8 Å²	41.8	41%	0.409	20%	0.203	S	C	.	.			trans	-108.5	0.5	-177.4	-65.9	-175.3	173	-77.7	0	114.7	D120 E397	K118-D120 HydrophobicContact CB-CB 4.46Å; K118-D120 PolarHBondContact O-N 2.77Å; K118-E397 HydrophobicContact CG-CG 4.17Å; K118-E397 IonicContact NZ-OE1 3.06Å; K118-E397 PolarHBondContact NZ-OE1 3.04Å; K118-E397 IonicContact NZ-OE2 2.69Å; K118-E397 PolarHBondContact NZ-OE2 3.43Å
119	F	91.9	Very high	93.9	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	20%	0.202	C	C	.	.	S	Bend	trans	53.4	33.9	-175.3	-54.5	-87.3	0	0	0	113.5	I117 L124 T164 I165 F392 L395 A396 V398	I117-F119 HydrophobicContact CG2-CD1 4.31Å; I117-F119 HydrophobicContact CG2-CD2 4.25Å; I117-F119 HydrophobicContact CG2-CE1 4.17Å; I117-F119 HydrophobicContact CG2-CE2 4.09Å; I117-F119 HydrophobicContact CG2-CG 4.35Å; I117-F119 HydrophobicContact CG2-CZ 4.05Å; F119-L124 HydrophobicContact CD1-CD2 4Å; F119-L124 HydrophobicContact CE1-CD2 3.5Å; F119-L124 HydrophobicContact CZ-CD2 4.34Å; F119-T164 HydrophobicContact CE2-CG2 4.02Å; F119-T164 HydrophobicContact CZ-CG2 4.02Å; F119-I165 HydrophobicContact CE1-CD1 3.85Å; F119-I165 HydrophobicContact CZ-CD1 3.97Å; F119-F392 HydrophobicContact CB-CD1 4.17Å; F119-F392 HydrophobicContact CB-CE1 3.94Å; F119-F392 HydrophobicContact CB-CZ 4.25Å; F119-F392 WeakPolarHBondContact CB-O 3.33Å; F119-F392 HydrophobicContact CD1-CD2 4.38Å; F119-F392 AromaticContact CD1-CE2 3.98Å; F119-F392 HydrophobicContact CD1-CE2 3.98Å; F119-F392 HydrophobicContact CD1-CZ 4.11Å; F119-F392 WeakPolarHBondContact O-CE1 3.43Å; F119-L395 HydrophobicContact CD1-CB 4.29Å; F119-L395 HydrophobicContact CD1-CD1 3.76Å; F119-L395 HydrophobicContact CD2-CB 3.67Å; F119-L395 HydrophobicContact CE1-CB 4.38Å; F119-L395 HydrophobicContact CE1-CD1 3.6Å; F119-L395 HydrophobicContact CE2-CB 3.79Å; F119-L395 HydrophobicContact CE2-CD1 4.47Å; F119-L395 HydrophobicContact CG-CB 3.94Å; F119-L395 HydrophobicContact CG-CD1 4.26Å; F119-L395 HydrophobicContact CZ-CB 4.15Å; F119-L395 HydrophobicContact CZ-CD1 3.99Å; F119-A396 WeakPolarHBondContact CE2-O 3.45Å; F119-V398 HydrophobicContact CE2-CG2 4Å; F119-V398 HydrophobicContact CZ-CG2 3.97Å
120	D	89	Confident	93.9	Very high	115 Å²	115	41.7 Å²	41.7	62%	0.615	20%	0.202	S	C	*	.			trans	-97	-4.8	175.2	57.8	-16.3	0	0	0	113.1	K118	K118-D120 HydrophobicContact CB-CB 4.46Å; K118-D120 PolarHBondContact O-N 2.77Å
121	T	88.4	Confident	93.9	Very high	25 Å²	25	42.1 Å²	42.1	15%	0.153	20%	0.204	C	C	.	.	S	Bend	trans	-86.8	155.7	177.5	57.6	0	0	0	0	112.8	Y46 E123 F392 D421	Y46-T121 VanDerWaalsContact OH-CG2 3.24Å; Y46-T121 WeakPolarHBondContact OH-CG2 3.48Å; T121-E123 VanDerWaalsContact C-N 3.3Å; T121-E123 WeakPolarHBondContact CB-O 3.31Å; T121-E123 PolarHBondContact O-N 3.23Å; T121-E123 PolarHBondContact OG1-O 2.91Å; T121-F392 VanDerWaalsContact O-CE1 3.25Å; T121-F392 WeakPolarHBondContact O-CE1 2.86Å; T121-D421 HydrophobicContact CG2-CB 4.3Å
122	N	91.3	Very high	93.9	Very high	132 Å²	132	41.4 Å²	41.4	71%	0.706	20%	0.199	S	C	*	.	S	Bend	trans	-66.2	-32.8	176.7	-64.8	-8.9	0	0	0	112.9	R221 S222	N122-R221 VanDerWaalsContact O-CA 3.32Å; N122-R221 WeakPolarHBondContact O-CA 3.27Å; N122-S222 PolarHBondContact O-N 2.94Å; N122-S222 PolarHBondContact O-OG 3.11Å
123	E	94	Very high	93.7	Very high	34 Å²	34	34.9 Å²	34.9	16%	0.159	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.6	179.9	-168.6	169.3	73.4	0	0	109.1	T121 V125 V219 L220 R221 D421 K423	T121-E123 VanDerWaalsContact C-N 3.3Å; T121-E123 WeakPolarHBondContact CB-O 3.31Å; T121-E123 PolarHBondContact O-N 3.23Å; T121-E123 PolarHBondContact OG1-O 2.91Å; E123-V125 HydrophobicContact CG-CG2 3.98Å; E123-V219 HydrophobicContact CG-CG1 3.78Å; E123-V219 WeakPolarHBondContact OE2-CG1 3.23Å; E123-L220 CarbonylContact C-O 3.5Å; E123-L220 VanDerWaalsContact CA-O 3.31Å; E123-L220 WeakPolarHBondContact CA-O 3.29Å; E123-R221 HydrophobicContact CB-CG 4.4Å; E123-R221 HydrophobicContact CG-CG 4.06Å; E123-R221 IonicContact OE2-CZ 2.64Å; E123-R221 IonicContact OE2-NE 3.74Å; E123-R221 PolarHBondContact OE2-NE 3.41Å; E123-R221 IonicContact OE2-NH2 2.73Å; E123-R221 PolarHBondContact OE2-NH2 2.96Å; E123-D421 WeakPolarHBondContact O-CA 3.25Å; E123-K423 WeakPolarHBondContact OE1-CB 3.27Å; E123-K423 PolarHBondContact OE1-N 3.33Å
124	L	95.6	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126	171	178.1	70.1	0	0	0	107.6	Y46 I117 F119 I126 L220 F392 I419	Y46-L124 HydrophobicContact CD2-CD1 4.37Å; Y46-L124 HydrophobicContact CE2-CD1 4.27Å; I117-L124 HydrophobicContact CD1-CD1 4.36Å; I117-L124 HydrophobicContact CG2-CD1 4.15Å; I117-L124 HydrophobicContact CG2-CD2 3.95Å; F119-L124 HydrophobicContact CD1-CD2 4Å; F119-L124 HydrophobicContact CE1-CD2 3.5Å; F119-L124 HydrophobicContact CZ-CD2 4.34Å; L124-I126 HydrophobicContact CD2-CD1 4.34Å; L124-L220 HydrophobicContact CB-CB 4.5Å; L124-L220 PolarHBondContact N-O 3.02Å; L124-L220 PolarHBondContact O-N 3.48Å; L124-F392 HydrophobicContact CB-CE2 4.44Å; L124-F392 HydrophobicContact CB-CZ 4.43Å; L124-I419 HydrophobicContact CD1-CG2 3.76Å
125	V	96.9	Very high	93.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.4	-179.3	-173.6	0	0	0	0	109.5	E123 T217 L218 V219 I419 V420 K423 A426	E123-V125 HydrophobicContact CG-CG2 3.98Å; V125-T217 HydrophobicContact CG1-CG2 3.52Å; V125-L218 WeakPolarHBondContact CA-O 3.42Å; V125-V219 HydrophobicContact CG1-CG2 4.17Å; V125-V219 HydrophobicContact CG2-CB 4.47Å; V125-V219 HydrophobicContact CG2-CG1 4.13Å; V125-V219 HydrophobicContact CG2-CG2 4.07Å; V125-I419 CarbonylContact O-C 3.52Å; V125-I419 VanDerWaalsContact O-CA 3.31Å; V125-I419 WeakPolarHBondContact O-CA 3.13Å; V125-V420 HydrophobicContact CB-CG1 4.11Å; V125-V420 PolarHBondContact N-O 3.18Å; V125-V420 PolarHBondContact O-N 3.24Å; V125-K423 HydrophobicContact CG1-CD 4.43Å; V125-K423 HydrophobicContact CG2-CB 4.13Å; V125-A426 HydrophobicContact CB-CB 4.34Å; V125-A426 HydrophobicContact CG1-CB 3.62Å
126	I	97.3	Very high	93.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.9	179.6	-61.8	154.8	0	0	0	106.7	L124 I143 L145 I165 F167 T217 L218 I419	L124-I126 HydrophobicContact CD2-CD1 4.34Å; I126-I143 HydrophobicContact CG2-CD1 3.46Å; I126-I143 VanDerWaalsContact CG2-CD1 3.46Å; I126-L145 HydrophobicContact CD1-CD1 4.12Å; I126-L145 HydrophobicContact CD1-CD2 3.55Å; I126-L145 HydrophobicContact CG1-CD2 4.24Å; I126-I165 HydrophobicContact CD1-CD1 4.5Å; I126-F167 HydrophobicContact CG2-CD1 4.38Å; I126-T217 CarbonylContact O-C 3.49Å; I126-T217 WeakPolarHBondContact O-CA 3.45Å; I126-L218 HydrophobicContact CB-CB 4.41Å; I126-L218 HydrophobicContact CD1-CD2 4.22Å; I126-L218 PolarHBondContact N-O 2.74Å; I126-L218 PolarHBondContact O-N 2.76Å; I126-I419 HydrophobicContact CG1-CG1 4.26Å; I126-I419 HydrophobicContact CG1-CG2 4.02Å; I126-I419 HydrophobicContact CG2-CG1 4.33Å
127	Q	97.4	Very high	93.1	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142	-172.5	-173.9	167.8	-80.5	0	0	111	L215 Y216 T217 F417 L418 A426	Q127-L215 HydrophobicContact CG-CD1 3.48Å; Q127-L215 VanDerWaalsContact CG-CD1 3.48Å; Q127-L215 HydrophobicContact CG-CG 4.13Å; Q127-Y216 VanDerWaalsContact CA-O 3.32Å; Q127-Y216 WeakPolarHBondContact CA-O 3.38Å; Q127-T217 HydrophobicContact CB-CG2 4.17Å; Q127-T217 HydrophobicContact CG-CG2 4.33Å; Q127-T217 WeakPolarHBondContact CG-OG1 3.22Å; Q127-T217 PolarHBondContact OE1-OG1 3Å; Q127-F417 CarbonylContact O-C 3.46Å; Q127-F417 WeakPolarHBondContact O-CA 3.46Å; Q127-L418 HydrophobicContact CB-CB 4.4Å; Q127-L418 PolarHBondContact N-O 3.14Å; Q127-L418 PolarHBondContact O-N 2.86Å; Q127-A426 PolarHBondContact NE2-O 2.83Å
128	Y	97.6	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	160.4	172.3	69.2	-69.3	0	0	0	111.5	V130 A141 I143 F167 G168 P169 Y216 F414 F417	Y128-V130 HydrophobicContact CD2-CG2 3.77Å; Y128-V130 HydrophobicContact CE2-CG2 3.3Å; Y128-A141 PolarHBondContact OH-O 2.84Å; Y128-I143 HydrophobicContact CD1-CD1 3.82Å; Y128-I143 HydrophobicContact CD1-CG1 4.31Å; Y128-I143 HydrophobicContact CD1-CG2 4.43Å; Y128-I143 HydrophobicContact CD2-CG2 4.25Å; Y128-I143 HydrophobicContact CE1-CD1 3.77Å; Y128-I143 HydrophobicContact CE1-CG1 3.78Å; Y128-I143 HydrophobicContact CE1-CG2 4.16Å; Y128-I143 HydrophobicContact CE2-CG2 3.93Å; Y128-I143 HydrophobicContact CG-CG2 4.48Å; Y128-F167 AromaticContact CE1-CD1 3.97Å; Y128-F167 HydrophobicContact CE1-CD1 3.97Å; Y128-F167 HydrophobicContact CE1-CE1 4.01Å; Y128-F167 PolarHBondContact OH-O 2.68Å; Y128-G168 WeakPolarHBondContact OH-CA 3.14Å; Y128-P169 WeakPolarHBondContact OH-CD 3.42Å; Y128-Y216 PolarHBondContact N-O 3.12Å; Y128-Y216 PolarHBondContact O-N 2.93Å; Y128-F414 HydrophobicContact CD2-CD1 4.28Å; Y128-F414 HydrophobicContact CE2-CD1 4.06Å; Y128-F414 HydrophobicContact CE2-CE1 4.37Å; Y128-F417 HydrophobicContact CD2-CD1 4.21Å; Y128-F417 AromaticContact CD2-CE1 3.88Å; Y128-F417 HydrophobicContact CD2-CE1 3.88Å; Y128-F417 AromaticContact CG-CD1 4Å; Y128-F417 HydrophobicContact CG-CD1 4Å; Y128-F417 HydrophobicContact CG-CE1 4.16Å
129	D	95.6	Very high	93	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.5	177.6	-65.3	-9.3	0	0	0	110.9	T213 H214 L215 F414 D415 N416	D129-T213 HydrophobicContact CB-CG2 3.91Å; D129-H214 WeakPolarHBondContact CA-O 3.37Å; D129-L215 WeakPolarHBondContact OD1-CD1 3.32Å; D129-F414 WeakPolarHBondContact O-CA 3.47Å; D129-D415 HydrophobicContact CB-CB 4.49Å; D129-D415 PolarHBondContact N-O 3.01Å; D129-D415 PolarHBondContact O-N 3Å; D129-N416 PolarHBondContact OD2-ND2 2.78Å
130	V	95.6	Very high	93	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.1	166.3	-173.1	0	0	0	0	110	Y128 F132 A141 P169 H214 Y216 I412 A413 F414	Y128-V130 HydrophobicContact CD2-CG2 3.77Å; Y128-V130 HydrophobicContact CE2-CG2 3.3Å; V130-F132 HydrophobicContact CG1-CD1 4.43Å; V130-F132 HydrophobicContact CG1-CD2 4.43Å; V130-F132 HydrophobicContact CG1-CE1 4Å; V130-F132 HydrophobicContact CG1-CE2 4.01Å; V130-F132 HydrophobicContact CG1-CZ 3.78Å; V130-A141 HydrophobicContact CG1-CB 3.78Å; V130-A141 HydrophobicContact CG2-CB 4.36Å; V130-P169 HydrophobicContact CG2-CG 4.41Å; V130-H214 PolarHBondContact N-O 2.89Å; V130-H214 PolarHBondContact O-N 3.32Å; V130-Y216 HydrophobicContact CB-CD2 4.24Å; V130-Y216 HydrophobicContact CB-CE2 3.87Å; V130-Y216 HydrophobicContact CG2-CD2 3.95Å; V130-Y216 HydrophobicContact CG2-CE2 4.02Å; V130-I412 HydrophobicContact CG1-CG2 3.85Å; V130-A413 WeakPolarHBondContact CA-O 3.31Å; V130-F414 HydrophobicContact CG1-CE1 4.35Å; V130-F414 HydrophobicContact CG2-CD1 3.92Å; V130-F414 HydrophobicContact CG2-CE1 4.04Å
131	K	94.5	Very high	93.3	Very high	11 Å²	11	22.1 Å²	22.1	5%	0.048	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.9	169.6	-177.3	179.6	-166.5	159.3	0	110.6	A89 Q133 K211 T213 A413 E441	A89-K131 PolarHBondContact O-NZ 3.28Å; K131-Q133 HydrophobicContact CD-CG 4.15Å; K131-Q133 HydrophobicContact CG-CG 4.17Å; K131-Q133 PolarHBondContact O-N 2.98Å; K131-K211 WeakPolarHBondContact CE-O 3.45Å; K131-T213 HydrophobicContact CB-CG2 4.43Å; K131-T213 WeakPolarHBondContact CD-OG1 3.31Å; K131-A413 HydrophobicContact CB-CB 4.34Å; K131-A413 PolarHBondContact N-O 2.94Å; K131-A413 PolarHBondContact O-N 3.34Å; K131-E441 WeakPolarHBondContact CE-OE1 3.29Å; K131-E441 IonicContact NZ-OE1 2.68Å; K131-E441 PolarHBondContact NZ-OE1 2.91Å
132	F	94	Very high	93.6	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	83.6	172.9	-57.9	-75.8	0	0	0	109.4	V130 D134 G135 I136 A141 P169 Y207 F208 K211 I412	V130-F132 HydrophobicContact CG1-CD1 4.43Å; V130-F132 HydrophobicContact CG1-CD2 4.43Å; V130-F132 HydrophobicContact CG1-CE1 4Å; V130-F132 HydrophobicContact CG1-CE2 4.01Å; V130-F132 HydrophobicContact CG1-CZ 3.78Å; F132-D134 VanDerWaalsContact C-N 3.27Å; F132-D134 PolarHBondContact O-N 3.47Å; F132-D134 VanDerWaalsContact O-N 3.16Å; F132-G135 PolarHBondContact O-N 3.07Å; F132-I136 HydrophobicContact CD1-CB 3.9Å; F132-I136 HydrophobicContact CD1-CD1 4.07Å; F132-I136 HydrophobicContact CD1-CG2 3.66Å; F132-I136 HydrophobicContact CE1-CB 4.36Å; F132-I136 HydrophobicContact CE1-CD1 3.89Å; F132-I136 HydrophobicContact CE1-CG2 3.83Å; F132-I136 HydrophobicContact CG-CB 4.47Å; F132-I136 HydrophobicContact CG-CG2 4.04Å; F132-I136 HydrophobicContact CZ-CG2 4.35Å; F132-A141 HydrophobicContact CE1-CB 3.73Å; F132-A141 HydrophobicContact CZ-CB 3.8Å; F132-P169 HydrophobicContact CZ-CB 4.42Å; F132-P169 HydrophobicContact CZ-CG 4.18Å; F132-Y207 VanDerWaalsContact CD2-O 3.27Å; F132-Y207 WeakPolarHBondContact CD2-O 3.29Å; F132-Y207 WeakPolarHBondContact CE2-O 3.41Å; F132-F208 HydrophobicContact CD2-CD1 4.39Å; F132-F208 HydrophobicContact CE1-CD1 4.42Å; F132-F208 AromaticContact CE2-CD1 3.68Å; F132-F208 HydrophobicContact CE2-CD1 3.68Å; F132-F208 HydrophobicContact CE2-CE1 4.21Å; F132-F208 HydrophobicContact CE2-CG 4.47Å; F132-F208 AromaticContact CZ-CD1 3.7Å; F132-F208 HydrophobicContact CZ-CD1 3.7Å; F132-F208 AromaticContact CZ-CE1 3.95Å; F132-F208 HydrophobicContact CZ-CE1 3.95Å; F132-K211 WeakPolarHBondContact O-CA 3.31Å; F132-I412 HydrophobicContact CD1-CD1 4.47Å; F132-I412 HydrophobicContact CD1-CG1 4.18Å; F132-I412 HydrophobicContact CD1-CG2 3.99Å; F132-I412 HydrophobicContact CE1-CD1 4.41Å; F132-I412 HydrophobicContact CE1-CG2 4Å
133	Q	90.5	Very high	93.9	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.019	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-39.6	-168.6	-66.5	176.6	88.8	0	0	113.6	P87 Y88 K131 K211 G411	P87-Q133 VanDerWaalsContact CA-OE1 3.22Å; P87-Q133 HydrophobicContact CB-CG 4.39Å; P87-Q133 VanDerWaalsContact CB-OE1 3.28Å; Y88-Q133 HydrophobicContact CD1-CB 4.43Å; Y88-Q133 HydrophobicContact CE1-CB 3.61Å; Y88-Q133 HydrophobicContact CE1-CG 4.29Å; Y88-Q133 VanDerWaalsContact OH-C 3.29Å; Y88-Q133 PolarHBondContact OH-O 3.08Å; K131-Q133 HydrophobicContact CD-CG 4.15Å; K131-Q133 HydrophobicContact CG-CG 4.17Å; K131-Q133 PolarHBondContact O-N 2.98Å; Q133-K211 VanDerWaalsContact O-CD 3.29Å; Q133-K211 WeakPolarHBondContact O-CD 3.38Å; Q133-K211 WeakPolarHBondContact O-CG 3.49Å; Q133-G411 WeakPolarHBondContact CB-O 3.47Å; Q133-G411 VanDerWaalsContact CG-O 3.25Å; Q133-G411 WeakPolarHBondContact CG-O 3.44Å; Q133-G411 PolarHBondContact N-O 2.67Å; Q133-G411 PolarHBondContact NE2-O 2.91Å
134	D	88.8	Confident	94.1	Very high	78 Å²	78	15 Å²	15	42%	0.417	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-2.4	177.4	-81.4	-74.5	0	0	0	114.5	Y88 F132 K211	Y88-D134 PolarHBondContact OH-OD1 3.27Å; Y88-D134 VanDerWaalsContact OH-OD1 3.08Å; Y88-D134 PolarHBondContact OH-OD2 3.43Å; F132-D134 VanDerWaalsContact C-N 3.27Å; F132-D134 PolarHBondContact O-N 3.47Å; F132-D134 VanDerWaalsContact O-N 3.16Å; D134-K211 VanDerWaalsContact C-CE 3.45Å; D134-K211 WeakPolarHBondContact O-CE 3.37Å; D134-K211 PolarHBondContact O-NZ 3.06Å; D134-K211 VanDerWaalsContact O-NZ 3.09Å; D134-K211 IonicContact OD1-NZ 3.29Å
135	G	89.4	Confident	94.1	Very high	12 Å²	12	15 Å²	15	12%	0.124	8%	0.083	C	C	.	.			trans	79.2	175.8	-156.6	0	0	0	0	0	111.4	F132 F208	F132-G135 PolarHBondContact O-N 3.07Å; G135-F208 WeakPolarHBondContact CA-O 3.5Å
136	I	90.9	Very high	94.1	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.026	8%	0.083	C	C	.	.			trans	-139.2	132.7	178	-168.9	169.8	0	0	0	112.5	F132 G139 K171 F208 I412	F132-I136 HydrophobicContact CD1-CB 3.9Å; F132-I136 HydrophobicContact CD1-CD1 4.07Å; F132-I136 HydrophobicContact CD1-CG2 3.66Å; F132-I136 HydrophobicContact CE1-CB 4.36Å; F132-I136 HydrophobicContact CE1-CD1 3.89Å; F132-I136 HydrophobicContact CE1-CG2 3.83Å; F132-I136 HydrophobicContact CG-CB 4.47Å; F132-I136 HydrophobicContact CG-CG2 4.04Å; F132-I136 HydrophobicContact CZ-CG2 4.35Å; I136-G139 WeakPolarHBondContact CD1-O 3.43Å; I136-K171 HydrophobicContact CG2-CB 4.4Å; I136-K171 HydrophobicContact CG2-CD 4.26Å; I136-K171 WeakPolarHBondContact O-CD 3.4Å; I136-K171 PolarHBondContact O-NZ 3.29Å; I136-K171 VanDerWaalsContact O-NZ 3.16Å; I136-F208 HydrophobicContact CG2-CB 3.87Å; I136-F208 HydrophobicContact CG2-CD1 3.65Å; I136-F208 HydrophobicContact CG2-CG 4.22Å; I136-F208 PolarHBondContact N-O 3.19Å; I136-F208 VanDerWaalsContact N-O 3.16Å; I136-I412 HydrophobicContact CD1-CD1 3.61Å; I136-I412 HydrophobicContact CD1-CG1 4.43Å
137	D	90.1	Very high	93.9	Very high	122 Å²	122	15.6 Å²	15.6	65%	0.652	9%	0.086	S	C	*	.	S	Bend	trans	-94.9	-46.9	177.5	-62.2	-40.9	0	0	0	111.2	G173	D137-G173 PolarHBondContact O-N 2.75Å
138	C	92.6	Very high	93.5	Very high	26 Å²	26	17.4 Å²	17.4	18%	0.176	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	118.2	172.3	-179.2	0	0	0	0	111.9	K171 C172 M408	C138-K171 CarbonylContact C-O 3.56Å; C138-K171 VanDerWaalsContact CA-O 3.26Å; C138-K171 WeakPolarHBondContact CA-O 3.47Å; C138-C172 HydrophobicContact CB-CB 3.89Å; C138-C172 WeakPolarHBondContact CB-SG 3.32Å; C138-C172 WeakPolarHBondContact SG-CB 3.33Å; C138-C172 CovalentContact SG-SG 2.05Å; C138-C172 PolarHBondContact SG-SG 2.83Å; C138-M408 HydrophobicContact CB-CB 4.5Å; C138-M408 HydrophobicContact CB-CG 4.07Å; C138-M408 WeakPolarHBondContact O-CB 3.37Å; C138-M408 PolarHBondContact O-N 3.42Å
139	G	91.9	Very high	93	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	160.8	172.5	0	0	0	0	0	112.9	I136 K171 W406	I136-G139 WeakPolarHBondContact CD1-O 3.43Å; G139-K171 PolarHBondContact N-O 3.32Å; G139-K171 PolarHBondContact O-N 2.78Å; G139-W406 WeakPolarHBondContact CA-O 3.43Å
140	G	91.6	Very high	92.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	151.5	177.2	0	0	0	0	0	112.9	D170 L405 W406	G140-D170 VanDerWaalsContact CA-OD1 3.23Å; G140-D170 WeakPolarHBondContact CA-OD1 3.34Å; G140-D170 PolarHBondContact N-OD1 2.85Å; G140-L405 WeakPolarHBondContact O-CD2 3.29Å; G140-W406 PolarHBondContact N-O 3.07Å
141	A	95.1	Very high	91.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.			trans	-136.5	35.7	167.1	0	0	0	0	0	111.6	Y128 V130 F132 P169 I412 F414	Y128-A141 PolarHBondContact OH-O 2.84Å; V130-A141 HydrophobicContact CG1-CB 3.78Å; V130-A141 HydrophobicContact CG2-CB 4.36Å; F132-A141 HydrophobicContact CE1-CB 3.73Å; F132-A141 HydrophobicContact CZ-CB 3.8Å; A141-P169 CarbonylContact C-O 3.51Å; A141-P169 WeakPolarHBondContact CA-O 3.28Å; A141-P169 HydrophobicContact CB-CG 4.08Å; A141-P169 PolarHBondContact N-O 2.89Å; A141-I412 HydrophobicContact CB-CG2 4.1Å; A141-F414 HydrophobicContact CB-CE1 3.64Å; A141-F414 HydrophobicContact CB-CZ 3.71Å
142	Y	96.1	Very high	91.1	Very high	30 Å²	30	33.9 Å²	33.9	12%	0.118	20%	0.201	C	C	.	.			trans	-90	154.6	176.8	52.3	-99	0	0	0	113.7	M166 F167 P169 D170 H179 E404 L405	Y142-M166 HydrophobicContact CD2-CG 3.76Å; Y142-M166 HydrophobicContact CD2-SD 3.57Å; Y142-M166 VanDerWaalsContact CD2-SD 3.57Å; Y142-M166 HydrophobicContact CE2-CG 4.45Å; Y142-M166 HydrophobicContact CE2-SD 3.72Å; Y142-M166 HydrophobicContact CG-CG 4.17Å; Y142-M166 HydrophobicContact CG-SD 4.04Å; Y142-F167 CarbonylContact C-O 3.56Å; Y142-F167 WeakPolarHBondContact CA-O 3.45Å; Y142-F167 WeakPolarHBondContact CB-O 3.32Å; Y142-P169 PolarHBondContact N-O 2.88Å; Y142-D170 HydrophobicContact CD1-CB 4.04Å; Y142-D170 HydrophobicContact CE1-CB 4.31Å; Y142-H179 AromaticContact CD1-CD2 3.88Å; Y142-E404 VanDerWaalsContact CE2-O 3.25Å; Y142-E404 WeakPolarHBondContact CE2-O 3.37Å; Y142-L405 HydrophobicContact CD1-CD2 4.24Å; Y142-L405 HydrophobicContact CD2-CD2 3.91Å; Y142-L405 HydrophobicContact CE1-CD2 4.15Å; Y142-L405 HydrophobicContact CE2-CD2 3.77Å; Y142-L405 HydrophobicContact CG-CD2 4.14Å; Y142-L405 WeakPolarHBondContact O-CD2 3.48Å
143	I	97.1	Very high	90.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.7	172.3	56.5	168.4	0	0	0	110.8	I126 Y128 L145 M166 F167 I401 L403 F417	I126-I143 HydrophobicContact CG2-CD1 3.46Å; I126-I143 VanDerWaalsContact CG2-CD1 3.46Å; Y128-I143 HydrophobicContact CD1-CD1 3.82Å; Y128-I143 HydrophobicContact CD1-CG1 4.31Å; Y128-I143 HydrophobicContact CD1-CG2 4.43Å; Y128-I143 HydrophobicContact CD2-CG2 4.25Å; Y128-I143 HydrophobicContact CE1-CD1 3.77Å; Y128-I143 HydrophobicContact CE1-CG1 3.78Å; Y128-I143 HydrophobicContact CE1-CG2 4.16Å; Y128-I143 HydrophobicContact CE2-CG2 3.93Å; Y128-I143 HydrophobicContact CG-CG2 4.48Å; I143-L145 HydrophobicContact CD1-CD1 4.22Å; I143-M166 WeakPolarHBondContact O-CA 3.44Å; I143-F167 HydrophobicContact CD1-CD1 4.38Å; I143-F167 HydrophobicContact CG1-CB 4.42Å; I143-F167 HydrophobicContact CG1-CD1 4.47Å; I143-F167 VanDerWaalsContact CG1-O 3.24Å; I143-F167 WeakPolarHBondContact CG1-O 3.08Å; I143-F167 PolarHBondContact N-O 3.22Å; I143-F167 PolarHBondContact O-N 3.31Å; I143-I401 HydrophobicContact CB-CD1 4.03Å; I143-I401 HydrophobicContact CB-CG1 4.21Å; I143-I401 HydrophobicContact CD1-CD1 3.83Å; I143-I401 HydrophobicContact CG2-CD1 4.09Å; I143-L403 HydrophobicContact CG2-CD2 4.17Å; I143-L403 HydrophobicContact CG2-CG 4.13Å; I143-F417 HydrophobicContact CG2-CD1 4.29Å; I143-F417 HydrophobicContact CG2-CE1 3.82Å
144	K	97	Very high	90.9	Very high	12 Å²	12	37.7 Å²	37.7	5%	0.052	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.8	172	-60.1	-174.7	-171.5	-174.5	0	109.4	L146 Y163 M166 I401 G402 E404	K144-L146 HydrophobicContact CB-CD2 3.99Å; K144-Y163 HydrophobicContact CB-CG 4.49Å; K144-Y163 HydrophobicContact CD-CD1 4.43Å; K144-M166 HydrophobicContact CD-CE 4.25Å; K144-M166 HydrophobicContact CG-CB 4.43Å; K144-M166 HydrophobicContact CG-CE 4.38Å; K144-M166 HydrophobicContact CG-CG 4.04Å; K144-I401 CarbonylContact O-C 3.58Å; K144-I401 WeakPolarHBondContact O-CA 2.89Å; K144-G402 PolarHBondContact N-O 3.48Å; K144-G402 PolarHBondContact O-N 3.43Å; K144-E404 HydrophobicContact CD-CB 4.42Å; K144-E404 IonicContact NZ-OE2 3.03Å; K144-E404 PolarHBondContact NZ-OE2 3.1Å
145	L	96.4	Very high	90.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	106.5	172.2	-79.7	79.8	0	0	0	108.2	I117 I126 I143 Y163 T164 I165 V398 A400 I419	I117-L145 HydrophobicContact CD1-CD2 4.37Å; I126-L145 HydrophobicContact CD1-CD1 4.12Å; I126-L145 HydrophobicContact CD1-CD2 3.55Å; I126-L145 HydrophobicContact CG1-CD2 4.24Å; I143-L145 HydrophobicContact CD1-CD1 4.22Å; L145-Y163 CarbonylContact O-C 3.48Å; L145-Y163 VanDerWaalsContact O-CA 3.25Å; L145-Y163 WeakPolarHBondContact O-CA 3.4Å; L145-Y163 WeakPolarHBondContact O-CB 3.35Å; L145-T164 PolarHBondContact O-N 3.47Å; L145-I165 HydrophobicContact CB-CB 4.26Å; L145-I165 HydrophobicContact CD1-CB 4.29Å; L145-I165 HydrophobicContact CD1-CG2 4.35Å; L145-I165 HydrophobicContact CD2-CD1 4.49Å; L145-I165 PolarHBondContact N-O 2.89Å; L145-V398 HydrophobicContact CB-CG1 3.75Å; L145-V398 HydrophobicContact CB-CG2 4.02Å; L145-V398 HydrophobicContact CD2-CG1 4.32Å; L145-V398 HydrophobicContact CD2-CG2 4.45Å; L145-V398 HydrophobicContact CG-CG1 4.3Å; L145-A400 CarbonylContact C-O 3.59Å; L145-I419 HydrophobicContact CD2-CD1 4.38Å
146	L	96	Very high	90.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.6	-170.1	-49.7	-175.5	0	0	0	111.4	K144 L152 L154 F157 T161 V398 N399 A400	K144-L146 HydrophobicContact CB-CD2 3.99Å; L146-L152 HydrophobicContact CB-CD1 4.4Å; L146-L152 HydrophobicContact CB-CD2 4.39Å; L146-L152 HydrophobicContact CD1-CD1 4.46Å; L146-L154 HydrophobicContact CD1-CD2 3.97Å; L146-F157 HydrophobicContact CD1-CD2 3.94Å; L146-F157 HydrophobicContact CD1-CE2 3.98Å; L146-F157 HydrophobicContact CD1-CG 4.41Å; L146-F157 HydrophobicContact CD1-CZ 4.45Å; L146-F157 HydrophobicContact CD2-CD2 4.16Å; L146-F157 HydrophobicContact CD2-CE2 3.46Å; L146-F157 VanDerWaalsContact CD2-CE2 3.46Å; L146-F157 HydrophobicContact CD2-CZ 3.97Å; L146-F157 HydrophobicContact CG-CE2 4.37Å; L146-T161 HydrophobicContact CD2-CG2 4.38Å; L146-V398 WeakPolarHBondContact O-CA 3.36Å; L146-V398 WeakPolarHBondContact O-CG1 3.28Å; L146-N399 PolarHBondContact O-N 3.19Å; L146-A400 HydrophobicContact CB-CB 4.15Å; L146-A400 HydrophobicContact CD1-CB 4.1Å; L146-A400 HydrophobicContact CG-CB 4.37Å; L146-A400 PolarHBondContact N-O 3.25Å
147	S	93.6	Very high	90.8	Very high	11 Å²	11	43.5 Å²	43.5	8%	0.077	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	144.7	-175.2	-53.1	0	0	0	0	111.5	S149 P162 Y163 T164 E397	S147-S149 PolarHBondContact O-N 2.79Å; S147-S149 VanDerWaalsContact O-N 3.14Å; S147-P162 PolarHBondContact N-O 3.31Å; S147-Y163 WeakPolarHBondContact OG-CA 3.32Å; S147-Y163 PolarHBondContact OG-O 2.62Å; S147-T164 PolarHBondContact OG-N 2.97Å; S147-T164 VanDerWaalsContact OG-N 3.13Å; S147-T164 PolarHBondContact OG-OG1 2.95Å; S147-E397 CarbonylContact C-O 3.49Å; S147-E397 WeakPolarHBondContact CA-O 3.47Å
148	A	90.3	Very high	90.8	Very high	42 Å²	42	38.9 Å²	38.9	35%	0.347	22%	0.216	S	C	.	.			trans	-63.1	112.7	176.1	0	0	0	0	0	110.1	E397 N399	A148-E397 HydrophobicContact CB-CB 3.8Å; A148-E397 WeakPolarHBondContact CB-O 3.1Å; A148-E397 PolarHBondContact N-O 2.83Å; A148-N399 HydrophobicContact CB-CB 4.4Å; A148-N399 VanDerWaalsContact CB-CG 3.49Å; A148-N399 WeakPolarHBondContact CB-ND2 3.33Å; A148-N399 WeakPolarHBondContact CB-OD1 3.35Å
149	S	85.6	Confident	90.5	Very high	42 Å²	42	39.6 Å²	39.6	29%	0.294	22%	0.219	S	C	.	.			trans	-135.9	139.7	172.9	175.6	0	0	0	0	108.9	S147 N151 L152	S147-S149 PolarHBondContact O-N 2.79Å; S147-S149 VanDerWaalsContact O-N 3.14Å; S149-N151 PolarHBondContact O-N 3.14Å; S149-N151 VanDerWaalsContact O-N 3.16Å; S149-N151 PolarHBondContact OG-N 2.98Å; S149-L152 WeakPolarHBondContact O-CB 3.27Å; S149-L152 PolarHBondContact O-N 3.26Å; S149-L152 VanDerWaalsContact O-N 3.17Å
150	P	80.9	Confident	90.3	Very high	133 Å²	133	44.9 Å²	44.9	86%	0.864	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.6	174	26.4	-35	0	0	0	112.5
151	N	80.8	Confident	90.3	Very high	146 Å²	146	45.6 Å²	45.6	78%	0.781	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	15.3	-179.3	-60.9	-15.1	0	0	0	113.2	S149 D153	S149-N151 PolarHBondContact O-N 3.14Å; S149-N151 VanDerWaalsContact O-N 3.16Å; S149-N151 PolarHBondContact OG-N 2.98Å; N151-D153 PolarHBondContact O-N 3.34Å
152	L	85.5	Confident	90.2	Very high	37 Å²	37	48.5 Å²	48.5	19%	0.194	26%	0.264	C	S	.	.			trans	-73.4	90	-178.5	-176.3	65.8	0	0	0	111.6	L146 S149 L154 T161 N399 A400	L146-L152 HydrophobicContact CB-CD1 4.4Å; L146-L152 HydrophobicContact CB-CD2 4.39Å; L146-L152 HydrophobicContact CD1-CD1 4.46Å; S149-L152 WeakPolarHBondContact O-CB 3.27Å; S149-L152 PolarHBondContact O-N 3.26Å; S149-L152 VanDerWaalsContact O-N 3.17Å; L152-L154 HydrophobicContact CD1-CD2 4.41Å; L152-L154 HydrophobicContact CD2-CD2 4.35Å; L152-L154 HydrophobicContact CG-CD2 4.14Å; L152-T161 HydrophobicContact CD1-CG2 4.06Å; L152-N399 HydrophobicContact CD2-CB 4.07Å; L152-A400 HydrophobicContact CD2-CB 4.23Å
153	D	88.8	Confident	90.1	Very high	81 Å²	81	47.5 Å²	47.5	43%	0.433	26%	0.259	S	S	.	.			trans	-90.8	111.3	167.4	-176.1	11.8	0	0	0	111.2	N151 K155 Q156	N151-D153 PolarHBondContact O-N 3.34Å; D153-K155 PolarHBondContact O-N 3.14Å; D153-K155 WeakPolarHBondContact OD1-CB 3.41Å; D153-K155 PolarHBondContact OD1-N 2.83Å; D153-Q156 HydrophobicContact CB-CB 4.48Å; D153-Q156 PolarHBondContact O-N 2.85Å
154	L	89.8	Confident	90.1	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.042	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.1	-21.9	176.9	-65.1	-166.3	0	0	0	113.5	V62 S110 K112 L146 L152 Q156 F157 A400	V62-L154 HydrophobicContact CB-CB 4.03Å; V62-L154 HydrophobicContact CB-CD1 4.49Å; V62-L154 HydrophobicContact CG1-CB 3.85Å; V62-L154 HydrophobicContact CG2-CB 4.37Å; V62-L154 HydrophobicContact CG2-CD1 4.26Å; S110-L154 WeakPolarHBondContact OG-CB 3.46Å; K112-L154 HydrophobicContact CD-CD1 4.43Å; K112-L154 HydrophobicContact CG-CD1 3.57Å; L146-L154 HydrophobicContact CD1-CD2 3.97Å; L152-L154 HydrophobicContact CD1-CD2 4.41Å; L152-L154 HydrophobicContact CD2-CD2 4.35Å; L152-L154 HydrophobicContact CG-CD2 4.14Å; L154-Q156 VanDerWaalsContact C-N 3.26Å; L154-Q156 PolarHBondContact O-N 3.27Å; L154-F157 WeakPolarHBondContact O-CB 3.45Å; L154-F157 PolarHBondContact O-N 3.23Å; L154-A400 HydrophobicContact CD1-CB 4.48Å; L154-A400 HydrophobicContact CD2-CB 3.85Å
155	K	89	Confident	90	Very high	114 Å²	114	46.9 Å²	46.9	50%	0.496	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-74.8	-16.1	174.2	-63.4	-177.5	178	-178	0	113.1	V62 S64 Q65 D153	V62-K155 HydrophobicContact CG1-CG 3.86Å; S64-K155 PolarHBondContact OG-O 3.24Å; Q65-K155 PolarHBondContact N-O 2.9Å; D153-K155 PolarHBondContact O-N 3.14Å; D153-K155 WeakPolarHBondContact OD1-CB 3.41Å; D153-K155 PolarHBondContact OD1-N 2.83Å
156	Q	89.1	Confident	90.1	Very high	99 Å²	99	47.6 Å²	47.6	46%	0.463	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-108.8	19.9	176.4	-62.6	-57.9	-40.1	0	0	112.3	D153 L154 N158	D153-Q156 HydrophobicContact CB-CB 4.48Å; D153-Q156 PolarHBondContact O-N 2.85Å; L154-Q156 VanDerWaalsContact C-N 3.26Å; L154-Q156 PolarHBondContact O-N 3.27Å; Q156-N158 PolarHBondContact O-N 3.39Å
157	F	90.4	Very high	90.1	Very high	3 Å²	3	47.5 Å²	47.5	1%	0.013	26%	0.26	C	S	.	.			trans	-61.8	125.7	178.5	176.2	-136.8	0	0	0	111.8	S64 A108 L146 L154 T161 E404	S64-F157 WeakPolarHBondContact CB-O 3.47Å; S64-F157 PolarHBondContact OG-N 2.94Å; S64-F157 PolarHBondContact OG-O 3.18Å; A108-F157 HydrophobicContact CB-CD1 4.04Å; A108-F157 HydrophobicContact CB-CE1 4.42Å; L146-F157 HydrophobicContact CD1-CD2 3.94Å; L146-F157 HydrophobicContact CD1-CE2 3.98Å; L146-F157 HydrophobicContact CD1-CG 4.41Å; L146-F157 HydrophobicContact CD1-CZ 4.45Å; L146-F157 HydrophobicContact CD2-CD2 4.16Å; L146-F157 HydrophobicContact CD2-CE2 3.46Å; L146-F157 VanDerWaalsContact CD2-CE2 3.46Å; L146-F157 HydrophobicContact CD2-CZ 3.97Å; L146-F157 HydrophobicContact CG-CE2 4.37Å; L154-F157 WeakPolarHBondContact O-CB 3.45Å; L154-F157 PolarHBondContact O-N 3.23Å; F157-T161 HydrophobicContact CD2-CG2 3.91Å; F157-T161 HydrophobicContact CE2-CG2 4.37Å; F157-E404 HydrophobicContact CE1-CB 3.84Å; F157-E404 HydrophobicContact CE2-CB 4.25Å; F157-E404 HydrophobicContact CZ-CB 3.55Å
158	N	88.8	Confident	90.2	Very high	25 Å²	25	47 Å²	47	13%	0.134	26%	0.256	C	S	.	.			trans	-150.5	177.3	-175.7	64.9	13.3	0	0	0	111.9	A66 Y78 Q156 K160 T161	A66-N158 HydrophobicContact CB-CB 4.04Å; Y78-N158 HydrophobicContact CE2-CB 3.69Å; Q156-N158 PolarHBondContact O-N 3.39Å; N158-K160 PolarHBondContact O-N 2.82Å; N158-K160 PolarHBondContact OD1-N 3.23Å; N158-T161 PolarHBondContact N-OG1 3.41Å; N158-T161 VanDerWaalsContact O-CB 3.22Å; N158-T161 WeakPolarHBondContact O-CB 3.34Å; N158-T161 PolarHBondContact O-N 3.28Å; N158-T161 PolarHBondContact O-OG1 3.21Å; N158-T161 VanDerWaalsContact O-OG1 3.09Å; N158-T161 PolarHBondContact OD1-N 2.73Å; N158-T161 PolarHBondContact OD1-OG1 2.91Å
159	D	86.8	Confident	90.5	Very high	42 Å²	42	45 Å²	45	23%	0.225	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-32.7	175	57	-46.8	0	0	0	114.7	K68 Y78	K68-D159 WeakPolarHBondContact CE-OD2 3.35Å; K68-D159 IonicContact NZ-OD2 3.36Å; K68-D159 PolarHBondContact NZ-OD2 2.76Å; Y78-D159 WeakPolarHBondContact OH-CB 3.33Å; Y78-D159 VanDerWaalsContact OH-CG 3.31Å; Y78-D159 PolarHBondContact OH-N 2.89Å; Y78-D159 PolarHBondContact OH-OD1 2.91Å
160	K	87.3	Confident	90.9	Very high	115 Å²	115	44.6 Å²	44.6	50%	0.5	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.5	179.9	-59.7	176.5	-167.2	164.9	0	113.7	D69 N158	D69-K160 PolarHBondContact O-NZ 3.23Å; D69-K160 VanDerWaalsContact O-NZ 3.09Å; D69-K160 IonicContact OD2-NZ 3.25Å; D69-K160 PolarHBondContact OD2-NZ 3.28Å; N158-K160 PolarHBondContact O-N 2.82Å; N158-K160 PolarHBondContact OD1-N 3.23Å
161	T	91.3	Very high	91.4	Very high	16 Å²	16	39 Å²	39	10%	0.098	20%	0.197	C	C	.	.	S	Bend	trans	-66.1	131	-177.5	-62	0	0	0	0	110.1	L146 L152 F157 N158 Y163	L146-T161 HydrophobicContact CD2-CG2 4.38Å; L152-T161 HydrophobicContact CD1-CG2 4.06Å; F157-T161 HydrophobicContact CD2-CG2 3.91Å; F157-T161 HydrophobicContact CE2-CG2 4.37Å; N158-T161 PolarHBondContact N-OG1 3.41Å; N158-T161 VanDerWaalsContact O-CB 3.22Å; N158-T161 WeakPolarHBondContact O-CB 3.34Å; N158-T161 PolarHBondContact O-N 3.28Å; N158-T161 PolarHBondContact O-OG1 3.21Å; N158-T161 VanDerWaalsContact O-OG1 3.09Å; N158-T161 PolarHBondContact OD1-N 2.73Å; N158-T161 PolarHBondContact OD1-OG1 2.91Å; T161-Y163 PolarHBondContact O-N 3.34Å
162	P	93	Very high	92	Very high	61 Å²	61	35.3 Å²	35.3	40%	0.396	18%	0.181	S	C	.	.			trans	-64.2	131.1	-179.2	26.4	-34.9	0	0	0	111.3	S147	S147-P162 PolarHBondContact N-O 3.31Å
163	Y	95.2	Very high	92.1	Very high	8 Å²	8	35.6 Å²	35.6	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.7	178.7	70.9	-87.9	0	0	0	109.1	K144 L145 S147 T161 M166 R183 E194	K144-Y163 HydrophobicContact CB-CG 4.49Å; K144-Y163 HydrophobicContact CD-CD1 4.43Å; L145-Y163 CarbonylContact O-C 3.48Å; L145-Y163 VanDerWaalsContact O-CA 3.25Å; L145-Y163 WeakPolarHBondContact O-CA 3.4Å; L145-Y163 WeakPolarHBondContact O-CB 3.35Å; S147-Y163 WeakPolarHBondContact OG-CA 3.32Å; S147-Y163 PolarHBondContact OG-O 2.62Å; T161-Y163 PolarHBondContact O-N 3.34Å; Y163-M166 HydrophobicContact CD2-CB 4.11Å; Y163-M166 HydrophobicContact CE1-CE 4.1Å; Y163-M166 HydrophobicContact CE2-CB 3.65Å; Y163-M166 HydrophobicContact CE2-CE 3.86Å; Y163-M166 WeakPolarHBondContact OH-CE 3.25Å; Y163-R183 HydrophobicContact CE2-CG 4.06Å; Y163-R183 WeakPolarHBondContact O-CB 3.35Å; Y163-R183 VanDerWaalsContact O-CD 3.3Å; Y163-R183 WeakPolarHBondContact O-CD 3.31Å; Y163-E194 WeakPolarHBondContact CE1-OE1 3.42Å; Y163-E194 PolarHBondContact OH-OE1 3.05Å; Y163-E194 PolarHBondContact OH-OE2 3.34Å
164	T	95.8	Very high	92	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-42.4	-179.4	-54.3	0	0	0	0	110.8	F119 L145 S147 F182 R183 L395 A396 V398	F119-T164 HydrophobicContact CE2-CG2 4.02Å; F119-T164 HydrophobicContact CZ-CG2 4.02Å; L145-T164 PolarHBondContact O-N 3.47Å; S147-T164 PolarHBondContact OG-N 2.97Å; S147-T164 VanDerWaalsContact OG-N 3.13Å; S147-T164 PolarHBondContact OG-OG1 2.95Å; T164-F182 CarbonylContact O-C 3.57Å; T164-F182 WeakPolarHBondContact O-CA 3.47Å; T164-F182 WeakPolarHBondContact O-CB 3.13Å; T164-R183 PolarHBondContact O-N 3.46Å; T164-L395 HydrophobicContact CG2-CB 3.83Å; T164-L395 HydrophobicContact CG2-CD2 4.14Å; T164-L395 HydrophobicContact CG2-CG 4.37Å; T164-A396 WeakPolarHBondContact CB-O 3.12Å; T164-A396 WeakPolarHBondContact CG2-O 3.48Å; T164-A396 PolarHBondContact OG1-O 2.94Å; T164-V398 HydrophobicContact CG2-CG2 4.31Å
165	I	96.6	Very high	92	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.4	179.9	-65.2	161.6	0	0	0	109.4	F119 I126 L145 F167 F180 I181 F182 L218 L220 L395	F119-I165 HydrophobicContact CE1-CD1 3.85Å; F119-I165 HydrophobicContact CZ-CD1 3.97Å; I126-I165 HydrophobicContact CD1-CD1 4.5Å; L145-I165 HydrophobicContact CB-CB 4.26Å; L145-I165 HydrophobicContact CD1-CB 4.29Å; L145-I165 HydrophobicContact CD1-CG2 4.35Å; L145-I165 HydrophobicContact CD2-CD1 4.49Å; L145-I165 PolarHBondContact N-O 2.89Å; I165-F167 HydrophobicContact CG2-CB 4.28Å; I165-F180 HydrophobicContact CG2-CD2 4.16Å; I165-F180 HydrophobicContact CG2-CE2 3.99Å; I165-I181 CarbonylContact C-O 3.57Å; I165-I181 VanDerWaalsContact CA-O 3.31Å; I165-I181 WeakPolarHBondContact CA-O 3.31Å; I165-F182 HydrophobicContact CG1-CB 4.15Å; I165-L218 HydrophobicContact CG2-CD2 4.18Å; I165-L220 HydrophobicContact CD1-CD1 3.59Å; I165-L395 HydrophobicContact CD1-CD1 4.32Å
166	M	96.9	Very high	92.1	Very high	15 Å²	15	41.5 Å²	41.5	7%	0.074	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130	162.2	-174.6	-174.4	-37.1	0	0	108.4	Y142 I143 K144 Y163 F180 I181	Y142-M166 HydrophobicContact CD2-CG 3.76Å; Y142-M166 HydrophobicContact CD2-SD 3.57Å; Y142-M166 VanDerWaalsContact CD2-SD 3.57Å; Y142-M166 HydrophobicContact CE2-CG 4.45Å; Y142-M166 HydrophobicContact CE2-SD 3.72Å; Y142-M166 HydrophobicContact CG-CG 4.17Å; Y142-M166 HydrophobicContact CG-SD 4.04Å; I143-M166 WeakPolarHBondContact O-CA 3.44Å; K144-M166 HydrophobicContact CD-CE 4.25Å; K144-M166 HydrophobicContact CG-CB 4.43Å; K144-M166 HydrophobicContact CG-CE 4.38Å; K144-M166 HydrophobicContact CG-CG 4.04Å; Y163-M166 HydrophobicContact CD2-CB 4.11Å; Y163-M166 HydrophobicContact CE1-CE 4.1Å; Y163-M166 HydrophobicContact CE2-CB 3.65Å; Y163-M166 HydrophobicContact CE2-CE 3.86Å; Y163-M166 WeakPolarHBondContact OH-CE 3.25Å; M166-F180 WeakPolarHBondContact O-CA 3.32Å; M166-I181 HydrophobicContact CB-CB 4.27Å; M166-I181 HydrophobicContact CE-CD1 4.35Å; M166-I181 PolarHBondContact N-O 3.16Å; M166-I181 PolarHBondContact O-N 2.94Å; M166-I181 HydrophobicContact SD-CD1 4.17Å
167	F	97.1	Very high	92.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	135.4	-176	171.8	-114.3	0	0	0	110.6	I126 Y128 Y142 I143 I165 F178 H179 F180 L218	I126-F167 HydrophobicContact CG2-CD1 4.38Å; Y128-F167 AromaticContact CE1-CD1 3.97Å; Y128-F167 HydrophobicContact CE1-CD1 3.97Å; Y128-F167 HydrophobicContact CE1-CE1 4.01Å; Y128-F167 PolarHBondContact OH-O 2.68Å; Y142-F167 CarbonylContact C-O 3.56Å; Y142-F167 WeakPolarHBondContact CA-O 3.45Å; Y142-F167 WeakPolarHBondContact CB-O 3.32Å; I143-F167 HydrophobicContact CD1-CD1 4.38Å; I143-F167 HydrophobicContact CG1-CB 4.42Å; I143-F167 HydrophobicContact CG1-CD1 4.47Å; I143-F167 VanDerWaalsContact CG1-O 3.24Å; I143-F167 WeakPolarHBondContact CG1-O 3.08Å; I143-F167 PolarHBondContact N-O 3.22Å; I143-F167 PolarHBondContact O-N 3.31Å; I165-F167 HydrophobicContact CG2-CB 4.28Å; F167-F178 HydrophobicContact CD2-CE2 4.1Å; F167-F178 HydrophobicContact CD2-CZ 4.4Å; F167-F178 HydrophobicContact CE2-CD2 4.3Å; F167-F178 HydrophobicContact CE2-CE1 4.17Å; F167-F178 AromaticContact CE2-CE2 3.33Å; F167-F178 HydrophobicContact CE2-CE2 3.33Å; F167-F178 AromaticContact CE2-CZ 3.27Å; F167-F178 HydrophobicContact CE2-CZ 3.27Å; F167-F178 AromaticContact CZ-CE2 3.61Å; F167-F178 HydrophobicContact CZ-CE2 3.61Å; F167-F178 AromaticContact CZ-CZ 3.43Å; F167-F178 HydrophobicContact CZ-CZ 3.43Å; F167-F178 VanDerWaalsContact CZ-CZ 3.43Å; F167-H179 WeakPolarHBondContact CA-O 3.37Å; F167-H179 WeakPolarHBondContact CD2-O 3.18Å; F167-F180 HydrophobicContact CD2-CB 4.37Å; F167-L218 HydrophobicContact CB-CD2 4.1Å; F167-L218 HydrophobicContact CD1-CB 3.88Å; F167-L218 HydrophobicContact CD2-CB 3.85Å; F167-L218 HydrophobicContact CD2-CD1 4.39Å; F167-L218 HydrophobicContact CD2-CD2 3.98Å; F167-L218 HydrophobicContact CD2-CG 4.3Å; F167-L218 HydrophobicContact CE1-CB 3.72Å; F167-L218 HydrophobicContact CE2-CB 3.68Å; F167-L218 HydrophobicContact CE2-CD1 4.37Å; F167-L218 HydrophobicContact CE2-CG 4.43Å; F167-L218 HydrophobicContact CG-CB 3.94Å; F167-L218 HydrophobicContact CG-CD2 3.94Å; F167-L218 HydrophobicContact CZ-CB 3.62Å
168	G	95.7	Very high	92.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.6	174.1	171	0	0	0	0	0	116.1	Y128 H179	Y128-G168 WeakPolarHBondContact OH-CA 3.14Å; G168-H179 PolarHBondContact N-O 2.83Å; G168-H179 PolarHBondContact O-N 2.87Å
169	P	95.1	Very high	92.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	145.4	-179.5	31.8	-37.2	0	0	0	112.3	Y128 V130 F132 A141 Y142 F208 Y216	Y128-P169 WeakPolarHBondContact OH-CD 3.42Å; V130-P169 HydrophobicContact CG2-CG 4.41Å; F132-P169 HydrophobicContact CZ-CB 4.42Å; F132-P169 HydrophobicContact CZ-CG 4.18Å; A141-P169 CarbonylContact C-O 3.51Å; A141-P169 WeakPolarHBondContact CA-O 3.28Å; A141-P169 HydrophobicContact CB-CG 4.08Å; A141-P169 PolarHBondContact N-O 2.89Å; Y142-P169 PolarHBondContact N-O 2.88Å; P169-F208 HydrophobicContact CB-CE1 3.65Å; P169-F208 HydrophobicContact CB-CZ 3.72Å; P169-Y216 HydrophobicContact CB-CE1 3.84Å; P169-Y216 HydrophobicContact CG-CD1 4.25Å; P169-Y216 HydrophobicContact CG-CD2 4.29Å; P169-Y216 HydrophobicContact CG-CE1 3.77Å; P169-Y216 HydrophobicContact CG-CE2 3.86Å; P169-Y216 HydrophobicContact CG-CG 4.48Å
170	D	94	Very high	93.1	Very high	33 Å²	33	39.3 Å²	39.3	18%	0.176	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	134	176.8	-175.9	38.2	0	0	0	109	G140 Y142 K177 H179	G140-D170 VanDerWaalsContact CA-OD1 3.23Å; G140-D170 WeakPolarHBondContact CA-OD1 3.34Å; G140-D170 PolarHBondContact N-OD1 2.85Å; Y142-D170 HydrophobicContact CD1-CB 4.04Å; Y142-D170 HydrophobicContact CE1-CB 4.31Å; D170-K177 HydrophobicContact CB-CB 4.43Å; D170-K177 PolarHBondContact N-O 2.64Å; D170-K177 PolarHBondContact O-N 2.67Å; D170-H179 WeakPolarHBondContact CB-CD2 3.43Å; D170-H179 VanDerWaalsContact CB-NE2 3.34Å; D170-H179 WeakPolarHBondContact CB-NE2 3.31Å; D170-H179 IonicContact OD2-CD2 2.76Å; D170-H179 IonicContact OD2-CE1 3.1Å; D170-H179 IonicContact OD2-NE2 3.71Å; D170-H179 PolarHBondContact OD2-NE2 2.88Å
171	K	92.4	Very high	93.5	Very high	16 Å²	16	34.1 Å²	34.1	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.1	179.9	173.8	171.5	-177.9	-163.8	0	109.9	I136 C138 G139 G173 E175 N176 E205 F208	I136-K171 HydrophobicContact CG2-CB 4.4Å; I136-K171 HydrophobicContact CG2-CD 4.26Å; I136-K171 WeakPolarHBondContact O-CD 3.4Å; I136-K171 PolarHBondContact O-NZ 3.29Å; I136-K171 VanDerWaalsContact O-NZ 3.16Å; C138-K171 CarbonylContact C-O 3.56Å; C138-K171 VanDerWaalsContact CA-O 3.26Å; C138-K171 WeakPolarHBondContact CA-O 3.47Å; G139-K171 PolarHBondContact N-O 3.32Å; G139-K171 PolarHBondContact O-N 2.78Å; K171-G173 VanDerWaalsContact CE-O 3.28Å; K171-G173 WeakPolarHBondContact CE-O 3.43Å; K171-E175 WeakPolarHBondContact CA-O 3.21Å; K171-N176 WeakPolarHBondContact CD-OD1 3.47Å; K171-N176 WeakPolarHBondContact CE-OD1 3.28Å; K171-N176 WeakPolarHBondContact CG-OD1 3.32Å; K171-E205 WeakPolarHBondContact CE-OE2 3.29Å; K171-E205 IonicContact NZ-OE1 2.6Å; K171-E205 PolarHBondContact NZ-OE1 2.81Å; K171-E205 IonicContact NZ-OE2 2.64Å; K171-E205 PolarHBondContact NZ-OE2 3.24Å; K171-F208 HydrophobicContact CB-CD1 3.7Å; K171-F208 HydrophobicContact CB-CD2 4.43Å; K171-F208 HydrophobicContact CB-CE1 3.64Å; K171-F208 HydrophobicContact CB-CE2 4.42Å; K171-F208 HydrophobicContact CB-CG 4.09Å; K171-F208 HydrophobicContact CB-CZ 4.03Å; K171-F208 HydrophobicContact CD-CB 3.67Å; K171-F208 HydrophobicContact CD-CD1 4.14Å; K171-F208 HydrophobicContact CD-CD2 4.15Å; K171-F208 HydrophobicContact CD-CG 3.75Å
172	C	92.3	Very high	93.7	Very high	67 Å²	67	33.4 Å²	33.4	45%	0.453	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	112.8	164.1	-162.5	0	0	0	0	111.9	C138 L174 E175	C138-C172 HydrophobicContact CB-CB 3.89Å; C138-C172 WeakPolarHBondContact CB-SG 3.32Å; C138-C172 WeakPolarHBondContact SG-CB 3.33Å; C138-C172 CovalentContact SG-SG 2.05Å; C138-C172 PolarHBondContact SG-SG 2.83Å; C172-L174 PolarHBondContact O-N 3.36Å; C172-E175 PolarHBondContact N-O 2.72Å; C172-E175 PolarHBondContact O-N 3.43Å; C172-E175 VanDerWaalsContact O-N 3.09Å
173	G	88.6	Confident	93.8	Very high	44 Å²	44	33 Å²	33	45%	0.454	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-119	-174.3	0	0	0	0	0	110.8	D137 K171	D137-G173 PolarHBondContact O-N 2.75Å; K171-G173 VanDerWaalsContact CE-O 3.28Å; K171-G173 WeakPolarHBondContact CE-O 3.43Å
174	L	87.7	Confident	93.6	Very high	171 Å²	171	32.9 Å²	32.9	90%	0.895	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.2	176.7	-57.5	176.7	0	0	0	113.1	C172 N176	C172-L174 PolarHBondContact O-N 3.36Å; L174-N176 PolarHBondContact O-N 2.87Å
175	E	88.8	Confident	93.4	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.2	178	-68.3	-160.1	174	0	0	111.3	K171 C172 K177	K171-E175 WeakPolarHBondContact CA-O 3.21Å; C172-E175 PolarHBondContact N-O 2.72Å; C172-E175 PolarHBondContact O-N 3.43Å; C172-E175 VanDerWaalsContact O-N 3.09Å; E175-K177 WeakPolarHBondContact OE2-CE 3.29Å; E175-K177 IonicContact OE2-NZ 2.62Å; E175-K177 PolarHBondContact OE2-NZ 2.8Å
176	N	90.8	Very high	93	Very high	44 Å²	44	37.8 Å²	37.8	24%	0.235	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127	170.5	-62.5	-43	0	0	0	110.3	K171 L174 L204 E205 F208	K171-N176 WeakPolarHBondContact CD-OD1 3.47Å; K171-N176 WeakPolarHBondContact CE-OD1 3.28Å; K171-N176 WeakPolarHBondContact CG-OD1 3.32Å; L174-N176 PolarHBondContact O-N 2.87Å; N176-L204 HydrophobicContact CB-CB 4.19Å; N176-E205 PolarHBondContact ND2-OE2 2.84Å; N176-E205 PolarHBondContact OD1-OE2 3.37Å; N176-F208 HydrophobicContact CB-CE2 4.03Å
177	K	91.3	Very high	92.6	Very high	77 Å²	77	41.1 Å²	41.1	34%	0.335	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.1	178.8	-67.2	171.3	-169.5	159.8	0	109.6	D170 E175	D170-K177 HydrophobicContact CB-CB 4.43Å; D170-K177 PolarHBondContact N-O 2.64Å; D170-K177 PolarHBondContact O-N 2.67Å; E175-K177 WeakPolarHBondContact OE2-CE 3.29Å; E175-K177 IonicContact OE2-NZ 2.62Å; E175-K177 PolarHBondContact OE2-NZ 2.8Å
178	F	94.3	Very high	92	Very high	12 Å²	12	45.8 Å²	45.8	5%	0.053	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	103.8	160.5	-172.2	-160.6	0	0	0	105.5	F167 F180 V200 L204 Y216 R228 I230 V235	F167-F178 HydrophobicContact CD2-CE2 4.1Å; F167-F178 HydrophobicContact CD2-CZ 4.4Å; F167-F178 HydrophobicContact CE2-CD2 4.3Å; F167-F178 HydrophobicContact CE2-CE1 4.17Å; F167-F178 AromaticContact CE2-CE2 3.33Å; F167-F178 HydrophobicContact CE2-CE2 3.33Å; F167-F178 AromaticContact CE2-CZ 3.27Å; F167-F178 HydrophobicContact CE2-CZ 3.27Å; F167-F178 AromaticContact CZ-CE2 3.61Å; F167-F178 HydrophobicContact CZ-CE2 3.61Å; F167-F178 AromaticContact CZ-CZ 3.43Å; F167-F178 HydrophobicContact CZ-CZ 3.43Å; F167-F178 VanDerWaalsContact CZ-CZ 3.43Å; F178-F180 PolarHBondContact O-N 2.73Å; F178-V200 HydrophobicContact CB-CG2 3.64Å; F178-V200 HydrophobicContact CD1-CG2 4.07Å; F178-V200 HydrophobicContact CG-CG2 4.38Å; F178-L204 HydrophobicContact CB-CD1 3.81Å; F178-Y216 HydrophobicContact CD2-CD1 4.27Å; F178-Y216 AromaticContact CE2-CD1 3.5Å; F178-Y216 HydrophobicContact CE2-CD1 3.5Å; F178-Y216 HydrophobicContact CE2-CE1 4.25Å; F178-Y216 HydrophobicContact CE2-CG 4.36Å; F178-Y216 AromaticContact CZ-CD1 3.74Å; F178-Y216 HydrophobicContact CZ-CD1 3.74Å; F178-R228 HydrophobicContact CE1-CB 3.81Å; F178-R228 PolarHBondContact O-NH1 3.08Å; F178-I230 HydrophobicContact CD1-CD1 4.11Å; F178-I230 HydrophobicContact CD1-CG1 4.42Å; F178-I230 HydrophobicContact CE1-CD1 3.99Å; F178-I230 HydrophobicContact CE1-CG1 3.79Å; F178-I230 HydrophobicContact CZ-CD1 4.46Å; F178-I230 HydrophobicContact CZ-CG1 4.06Å; F178-V235 HydrophobicContact CD1-CG2 4.07Å; F178-V235 HydrophobicContact CE1-CG2 3.8Å
179	H	95	Very high	91.6	Very high	33 Å²	33	48.4 Å²	48.4	15%	0.153	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.5	179.3	-71	-53.8	0	0	0	109.8	Y142 F167 G168 D170 I181	Y142-H179 AromaticContact CD1-CD2 3.88Å; F167-H179 WeakPolarHBondContact CA-O 3.37Å; F167-H179 WeakPolarHBondContact CD2-O 3.18Å; G168-H179 PolarHBondContact N-O 2.83Å; G168-H179 PolarHBondContact O-N 2.87Å; D170-H179 WeakPolarHBondContact CB-CD2 3.43Å; D170-H179 VanDerWaalsContact CB-NE2 3.34Å; D170-H179 WeakPolarHBondContact CB-NE2 3.31Å; D170-H179 IonicContact OD2-CD2 2.76Å; D170-H179 IonicContact OD2-CE1 3.1Å; D170-H179 IonicContact OD2-NE2 3.71Å; D170-H179 PolarHBondContact OD2-NE2 2.88Å; H179-I181 HydrophobicContact CB-CD1 4.34Å; H179-I181 HydrophobicContact CB-CG1 4.4Å
180	F	96.1	Very high	91.3	Very high	2 Å²	2	50 Å²	50	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	107.7	152	172.8	-148.8	0	0	0	105.9	I165 M166 F167 F178 F182 A197 L218 L220 F226 L240 F244	I165-F180 HydrophobicContact CG2-CD2 4.16Å; I165-F180 HydrophobicContact CG2-CE2 3.99Å; M166-F180 WeakPolarHBondContact O-CA 3.32Å; F167-F180 HydrophobicContact CD2-CB 4.37Å; F178-F180 PolarHBondContact O-N 2.73Å; F180-F182 HydrophobicContact CZ-CD1 4.36Å; F180-A197 HydrophobicContact CB-CB 3.96Å; F180-A197 HydrophobicContact CD1-CB 4.09Å; F180-A197 HydrophobicContact CG-CB 4.35Å; F180-A197 VanDerWaalsContact O-CB 3.23Å; F180-A197 WeakPolarHBondContact O-CB 3.39Å; F180-A197 PolarHBondContact O-N 2.79Å; F180-L218 HydrophobicContact CD1-CD1 3.87Å; F180-L218 HydrophobicContact CD2-CD1 4.27Å; F180-L218 HydrophobicContact CD2-CD2 3.72Å; F180-L218 HydrophobicContact CE1-CD1 3.91Å; F180-L218 HydrophobicContact CE2-CD1 4.36Å; F180-L218 HydrophobicContact CE2-CD2 3.69Å; F180-L218 HydrophobicContact CG-CD1 4.08Å; F180-L218 HydrophobicContact CG-CD2 4.32Å; F180-L218 HydrophobicContact CZ-CD1 4.22Å; F180-L218 HydrophobicContact CZ-CD2 4.23Å; F180-L220 HydrophobicContact CE1-CD2 3.8Å; F180-L220 HydrophobicContact CE2-CD2 4.23Å; F180-L220 HydrophobicContact CZ-CD1 4.37Å; F180-L220 HydrophobicContact CZ-CD2 3.38Å; F180-L220 HydrophobicContact CZ-CG 4.47Å; F180-F226 AromaticContact CD1-CD2 3.85Å; F180-F226 HydrophobicContact CD1-CD2 3.85Å; F180-F226 HydrophobicContact CD1-CE2 4.06Å; F180-F226 HydrophobicContact CD1-CG 4.3Å; F180-F226 HydrophobicContact CE1-CB 3.95Å; F180-F226 HydrophobicContact CE1-CD1 4.22Å; F180-F226 AromaticContact CE1-CD2 3.73Å; F180-F226 HydrophobicContact CE1-CD2 3.73Å; F180-F226 HydrophobicContact CE1-CE2 4.27Å; F180-F226 AromaticContact CE1-CG 3.7Å; F180-F226 HydrophobicContact CE1-CG 3.7Å; F180-L240 HydrophobicContact CE1-CD2 4.07Å; F180-L240 HydrophobicContact CZ-CD2 3.86Å; F180-F244 HydrophobicContact CD1-CE1 4.47Å; F180-F244 AromaticContact CD1-CZ 3.73Å; F180-F244 HydrophobicContact CD1-CZ 3.73Å; F180-F244 HydrophobicContact CE1-CE1 4.44Å; F180-F244 HydrophobicContact CE1-CE2 4.26Å; F180-F244 AromaticContact CE1-CZ 3.49Å; F180-F244 HydrophobicContact CE1-CZ 3.49Å; F180-F244 VanDerWaalsContact CE1-CZ 3.49Å; F180-F244 HydrophobicContact CG-CZ 4.42Å; F180-F244 AromaticContact CZ-CZ 3.94Å; F180-F244 HydrophobicContact CZ-CZ 3.94Å
181	I	95.9	Very high	91.1	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.2	-175.7	-51.4	169.4	0	0	0	106.2	I165 M166 H179 E194 K195 H196	I165-I181 CarbonylContact C-O 3.57Å; I165-I181 VanDerWaalsContact CA-O 3.31Å; I165-I181 WeakPolarHBondContact CA-O 3.31Å; M166-I181 HydrophobicContact CB-CB 4.27Å; M166-I181 HydrophobicContact CE-CD1 4.35Å; M166-I181 PolarHBondContact N-O 3.16Å; M166-I181 PolarHBondContact O-N 2.94Å; M166-I181 HydrophobicContact SD-CD1 4.17Å; H179-I181 HydrophobicContact CB-CD1 4.34Å; H179-I181 HydrophobicContact CB-CG1 4.4Å; I181-E194 HydrophobicContact CG2-CB 3.98Å; I181-E194 HydrophobicContact CG2-CG 4.25Å; I181-K195 VanDerWaalsContact CA-O 3.29Å; I181-K195 WeakPolarHBondContact CA-O 3.48Å; I181-K195 WeakPolarHBondContact CG2-O 3.25Å; I181-H196 WeakPolarHBondContact CD1-ND1 3.42Å; I181-H196 WeakPolarHBondContact CG1-ND1 3.36Å
182	F	95.3	Very high	91	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.5	166.7	67.9	-91.7	0	0	0	111.1	T164 I165 F180 H184 K195 L240 F244 V248 L395	T164-F182 CarbonylContact O-C 3.57Å; T164-F182 WeakPolarHBondContact O-CA 3.47Å; T164-F182 WeakPolarHBondContact O-CB 3.13Å; I165-F182 HydrophobicContact CG1-CB 4.15Å; F180-F182 HydrophobicContact CZ-CD1 4.36Å; F182-H184 HydrophobicContact CD2-CB 4.31Å; F182-H184 HydrophobicContact CE2-CB 4.04Å; F182-K195 HydrophobicContact CD1-CB 4.3Å; F182-K195 HydrophobicContact CD2-CB 4.31Å; F182-K195 HydrophobicContact CD2-CG 4.36Å; F182-K195 HydrophobicContact CE1-CB 4.02Å; F182-K195 HydrophobicContact CE2-CB 4.05Å; F182-K195 HydrophobicContact CE2-CG 3.93Å; F182-K195 HydrophobicContact CG-CB 4.45Å; F182-K195 HydrophobicContact CZ-CB 3.9Å; F182-K195 HydrophobicContact CZ-CG 4.15Å; F182-K195 PolarHBondContact N-O 2.83Å; F182-K195 VanDerWaalsContact N-O 3.09Å; F182-K195 PolarHBondContact O-N 3.24Å; F182-L240 HydrophobicContact CD1-CD2 4.17Å; F182-L240 HydrophobicContact CE1-CB 4.35Å; F182-L240 HydrophobicContact CE1-CD2 3.75Å; F182-L240 HydrophobicContact CZ-CB 4.31Å; F182-L240 HydrophobicContact CZ-CD2 4.42Å; F182-F244 AromaticContact CD1-CD1 3.95Å; F182-F244 HydrophobicContact CD1-CD1 3.95Å; F182-F244 AromaticContact CD1-CE1 3.44Å; F182-F244 HydrophobicContact CD1-CE1 3.44Å; F182-F244 VanDerWaalsContact CD1-CE1 3.44Å; F182-F244 HydrophobicContact CD1-CE2 4.49Å; F182-F244 AromaticContact CD1-CZ 3.77Å; F182-F244 HydrophobicContact CD1-CZ 3.77Å; F182-F244 AromaticContact CE1-CD1 3.46Å; F182-F244 HydrophobicContact CE1-CD1 3.46Å; F182-F244 VanDerWaalsContact CE1-CD1 3.46Å; F182-F244 AromaticContact CE1-CD2 3.92Å; F182-F244 HydrophobicContact CE1-CD2 3.92Å; F182-F244 AromaticContact CE1-CE1 3.32Å; F182-F244 HydrophobicContact CE1-CE1 3.32Å; F182-F244 AromaticContact CE1-CE2 3.81Å; F182-F244 HydrophobicContact CE1-CE2 3.81Å; F182-F244 AromaticContact CE1-CG 3.77Å; F182-F244 HydrophobicContact CE1-CG 3.77Å; F182-F244 AromaticContact CE1-CZ 3.51Å; F182-F244 HydrophobicContact CE1-CZ 3.51Å; F182-F244 HydrophobicContact CZ-CD1 4.35Å; F182-F244 HydrophobicContact CZ-CG 4.41Å; F182-V248 HydrophobicContact CE2-CG2 3.92Å; F182-V248 HydrophobicContact CZ-CG2 3.48Å; F182-V248 VanDerWaalsContact CZ-CG2 3.48Å; F182-L395 HydrophobicContact CB-CD2 4.12Å; F182-L395 HydrophobicContact CD2-CD2 3.6Å; F182-L395 HydrophobicContact CE2-CD2 4.34Å; F182-L395 HydrophobicContact CG-CD2 4.15Å
183	R	94.2	Very high	91	Very high	52 Å²	52	56.1 Å²	56.1	20%	0.196	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	109.6	179.7	-71.2	-170.7	63.2	-171.6	3.9	110.2	Y163 T164 Y192 E193 E194	Y163-R183 HydrophobicContact CE2-CG 4.06Å; Y163-R183 WeakPolarHBondContact O-CB 3.35Å; Y163-R183 VanDerWaalsContact O-CD 3.3Å; Y163-R183 WeakPolarHBondContact O-CD 3.31Å; T164-R183 PolarHBondContact O-N 3.46Å; R183-Y192 HydrophobicContact CB-CD1 4.25Å; R183-E193 WeakPolarHBondContact CA-O 3.37Å; R183-E194 HydrophobicContact CG-CG 3.56Å; R183-E194 IonicContact NE-OE1 2.66Å
184	H	91.6	Very high	91.2	Very high	5 Å²	5	57.5 Å²	57.5	2%	0.023	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.9	177.8	-169.2	-95.6	0	0	0	110.2	F182 Y192 E193 K195 F386	F182-H184 HydrophobicContact CD2-CB 4.31Å; F182-H184 HydrophobicContact CE2-CB 4.04Å; H184-Y192 WeakPolarHBondContact O-CA 3.18Å; H184-E193 PolarHBondContact N-O 2.97Å; H184-E193 PolarHBondContact O-N 3.05Å; H184-K195 HydrophobicContact CB-CG 4.02Å; H184-F386 AromaticContact CE1-CE2 3.5Å; H184-F386 AromaticContact CE1-CZ 3.62Å; H184-F386 AromaticContact ND1-CE2 3.98Å; H184-F386 AromaticContact ND1-CZ 3.62Å
185	K	91	Very high	91.5	Very high	100 Å²	100	49.4 Å²	49.4	44%	0.435	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	118.3	174.6	-170.9	-176.9	175	-172.9	0	109.3	P187 G190 V191 Y192	K185-P187 WeakPolarHBondContact O-CD 3.41Å; K185-G190 WeakPolarHBondContact CE-O 3.5Å; K185-V191 WeakPolarHBondContact CA-O 3.39Å; K185-Y192 HydrophobicContact CB-CD1 3.91Å; K185-Y192 HydrophobicContact CB-CE1 3.69Å; K185-Y192 HydrophobicContact CB-CE2 4.4Å; K185-Y192 HydrophobicContact CB-CG 4.36Å; K185-Y192 HydrophobicContact CD-CE2 4.09Å; K185-Y192 HydrophobicContact CG-CD2 4.36Å; K185-Y192 HydrophobicContact CG-CE1 4.34Å; K185-Y192 HydrophobicContact CG-CE2 4.15Å
186	N	89	Confident	91.8	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.9	119.7	168.9	-178.3	-40.6	0	0	0	108.6	N188 T189 G190 V191 H384 F386	N186-N188 VanDerWaalsContact C-N 3.27Å; N186-N188 PolarHBondContact O-N 2.9Å; N186-N188 WeakPolarHBondContact OD1-CB 3.49Å; N186-N188 PolarHBondContact OD1-N 2.79Å; N186-T189 WeakPolarHBondContact CB-OG1 3.47Å; N186-T189 PolarHBondContact OD1-N 3.17Å; N186-G190 VanDerWaalsContact O-CA 3.25Å; N186-G190 WeakPolarHBondContact O-CA 3.39Å; N186-G190 PolarHBondContact O-N 2.64Å; N186-V191 PolarHBondContact N-O 2.66Å; N186-H384 PolarHBondContact ND2-O 3.37Å; N186-F386 HydrophobicContact CB-CE1 3.95Å; N186-F386 WeakPolarHBondContact ND2-CE1 2.98Å
187	P	87.3	Confident	91.9	Very high	85 Å²	85	46.5 Å²	46.5	55%	0.552	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-26.7	-175.5	26.7	-34.8	0	0	0	113	K185 F386	K185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-F386 HydrophobicContact CG-CB 3.87Å; P187-F386 HydrophobicContact CG-CD1 4.24Å; P187-F386 HydrophobicContact CG-CD2 4Å; P187-F386 HydrophobicContact CG-CG 3.77Å
188	N	86.1	Confident	92	Very high	99 Å²	99	47.5 Å²	47.5	53%	0.529	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-41.5	-176.7	-62.5	-15.7	0	0	0	112.2	N186 Y385	N186-N188 VanDerWaalsContact C-N 3.27Å; N186-N188 PolarHBondContact O-N 2.9Å; N186-N188 WeakPolarHBondContact OD1-CB 3.49Å; N186-N188 PolarHBondContact OD1-N 2.79Å; N188-Y385 PolarHBondContact ND2-O 3Å
189	T	87.4	Confident	91.6	Very high	55 Å²	55	55.7 Å²	55.7	34%	0.337	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-19.4	-178.6	65.7	0	0	0	0	113.2	N186 V191 H384	N186-T189 WeakPolarHBondContact CB-OG1 3.47Å; N186-T189 PolarHBondContact OD1-N 3.17Å; T189-V191 PolarHBondContact O-N 2.83Å; T189-V191 PolarHBondContact OG1-N 3.24Å; T189-H384 HydrophobicContact CG2-CB 4.39Å; T189-H384 WeakPolarHBondContact CG2-ND1 3.43Å
190	G	87.2	Confident	91.1	Very high	35 Å²	35	55.1 Å²	55.1	36%	0.361	28%	0.279	S	S	.	.			trans	73.7	-0.8	-173.2	0	0	0	0	0	114.9	K185 N186	K185-G190 WeakPolarHBondContact CE-O 3.5Å; N186-G190 VanDerWaalsContact O-CA 3.25Å; N186-G190 WeakPolarHBondContact O-CA 3.39Å; N186-G190 PolarHBondContact O-N 2.64Å
191	V	90.2	Very high	89.8	Confident	82 Å²	82	61.8 Å²	61.8	50%	0.497	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-77.4	140.7	-178.9	-179.6	0	0	0	0	110.3	K185 N186 T189	K185-V191 WeakPolarHBondContact CA-O 3.39Å; N186-V191 PolarHBondContact N-O 2.66Å; T189-V191 PolarHBondContact O-N 2.83Å; T189-V191 PolarHBondContact OG1-N 3.24Å
192	Y	90.6	Very high	88.8	Confident	100 Å²	100	64.2 Å²	64.2	39%	0.392	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	118.7	171.1	-77.8	-91.6	0	0	0	110.4	R183 H184 K185 A396	R183-Y192 HydrophobicContact CB-CD1 4.25Å; H184-Y192 WeakPolarHBondContact O-CA 3.18Å; K185-Y192 HydrophobicContact CB-CD1 3.91Å; K185-Y192 HydrophobicContact CB-CE1 3.69Å; K185-Y192 HydrophobicContact CB-CE2 4.4Å; K185-Y192 HydrophobicContact CB-CG 4.36Å; K185-Y192 HydrophobicContact CD-CE2 4.09Å; K185-Y192 HydrophobicContact CG-CD2 4.36Å; K185-Y192 HydrophobicContact CG-CE1 4.34Å; K185-Y192 HydrophobicContact CG-CE2 4.15Å; Y192-A396 HydrophobicContact CE1-CB 4.35Å
193	E	91.4	Very high	88	Confident	61 Å²	61	71.9 Å²	71.9	29%	0.285	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141	173.4	-70.4	168.4	-158.7	0	0	110.1	R183 H184 K195	R183-E193 WeakPolarHBondContact CA-O 3.37Å; H184-E193 PolarHBondContact N-O 2.97Å; H184-E193 PolarHBondContact O-N 3.05Å; E193-K195 WeakPolarHBondContact OE2-CE 3.45Å; E193-K195 IonicContact OE2-NZ 3.47Å; E193-K195 PolarHBondContact OE2-NZ 3.17Å
194	E	94.4	Very high	87.6	Confident	74 Å²	74	70.1 Å²	70.1	35%	0.346	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.5	169.9	-75.4	172.7	-176.2	0	0	109.2	Y163 I181 R183	Y163-E194 WeakPolarHBondContact CE1-OE1 3.42Å; Y163-E194 PolarHBondContact OH-OE1 3.05Å; Y163-E194 PolarHBondContact OH-OE2 3.34Å; I181-E194 HydrophobicContact CG2-CB 3.98Å; I181-E194 HydrophobicContact CG2-CG 4.25Å; R183-E194 HydrophobicContact CG-CG 3.56Å; R183-E194 IonicContact NE-OE1 2.66Å
195	K	94	Very high	87.3	Confident	1 Å²	1	72.4 Å²	72.4	0%	0.004	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.2	177.3	-54.3	-66.7	169	-177.5	0	106.6	I181 F182 H184 E193 F244 P246 P247	I181-K195 VanDerWaalsContact CA-O 3.29Å; I181-K195 WeakPolarHBondContact CA-O 3.48Å; I181-K195 WeakPolarHBondContact CG2-O 3.25Å; F182-K195 HydrophobicContact CD1-CB 4.3Å; F182-K195 HydrophobicContact CD2-CB 4.31Å; F182-K195 HydrophobicContact CD2-CG 4.36Å; F182-K195 HydrophobicContact CE1-CB 4.02Å; F182-K195 HydrophobicContact CE2-CB 4.05Å; F182-K195 HydrophobicContact CE2-CG 3.93Å; F182-K195 HydrophobicContact CG-CB 4.45Å; F182-K195 HydrophobicContact CZ-CB 3.9Å; F182-K195 HydrophobicContact CZ-CG 4.15Å; F182-K195 PolarHBondContact N-O 2.83Å; F182-K195 VanDerWaalsContact N-O 3.09Å; F182-K195 PolarHBondContact O-N 3.24Å; H184-K195 HydrophobicContact CB-CG 4.02Å; E193-K195 WeakPolarHBondContact OE2-CE 3.45Å; E193-K195 IonicContact OE2-NZ 3.47Å; E193-K195 PolarHBondContact OE2-NZ 3.17Å; K195-F244 HydrophobicContact CB-CB 4.39Å; K195-F244 HydrophobicContact CB-CD1 3.86Å; K195-F244 HydrophobicContact CB-CG 4.44Å; K195-F244 WeakPolarHBondContact O-CD1 3.24Å; K195-P246 HydrophobicContact CD-CG 4.18Å; K195-P246 WeakPolarHBondContact CD-O 3.45Å; K195-P247 PolarHBondContact NZ-O 2.82Å
196	H	94.8	Very high	87.1	Confident	75 Å²	75	70.6 Å²	70.6	35%	0.347	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.9	-176.4	-57.6	-101.4	0	0	0	110.7	I181 F244 D245	I181-H196 WeakPolarHBondContact CD1-ND1 3.42Å; I181-H196 WeakPolarHBondContact CG1-ND1 3.36Å; H196-F244 CarbonylContact O-C 3.5Å; H196-F244 VanDerWaalsContact O-CA 3.32Å; H196-F244 WeakPolarHBondContact O-CA 3.4Å; H196-F244 WeakPolarHBondContact O-CD1 3.42Å; H196-D245 WeakPolarHBondContact CB-O 3.17Å; H196-D245 PolarHBondContact N-O 2.95Å; H196-D245 PolarHBondContact O-N 2.87Å
197	A	93.5	Very high	87.2	Confident	18 Å²	18	72.3 Å²	72.3	15%	0.149	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	140.7	174	0	0	0	0	0	110.3	F180 D243 F244	F180-A197 HydrophobicContact CB-CB 3.96Å; F180-A197 HydrophobicContact CD1-CB 4.09Å; F180-A197 HydrophobicContact CG-CB 4.35Å; F180-A197 VanDerWaalsContact O-CB 3.23Å; F180-A197 WeakPolarHBondContact O-CB 3.39Å; F180-A197 PolarHBondContact O-N 2.79Å; A197-D243 WeakPolarHBondContact CA-O 3.2Å; A197-F244 HydrophobicContact CB-CD1 4.33Å; A197-F244 HydrophobicContact CB-CE1 3.68Å; A197-F244 HydrophobicContact CB-CE2 4.39Å; A197-F244 HydrophobicContact CB-CZ 3.7Å; A197-F244 VanDerWaalsContact N-CD1 3.35Å; A197-F244 VanDerWaalsContact N-CE1 3.26Å
198	K	91.8	Very high	87.3	Confident	99 Å²	99	68.5 Å²	68.5	43%	0.43	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-51.4	146.1	172.5	-69.6	170.2	-169.3	159.8	0	111	R228 Q236 D242 D243	K198-R228 PolarHBondContact O-NH2 3.15Å; K198-Q236 PolarHBondContact O-NE2 2.88Å; K198-D242 VanDerWaalsContact CE-O 3.29Å; K198-D242 WeakPolarHBondContact CE-O 3.34Å; K198-D242 PolarHBondContact NZ-O 2.98Å; K198-D243 HydrophobicContact CD-CB 4.28Å; K198-D243 WeakPolarHBondContact CG-O 3.42Å; K198-D243 PolarHBondContact N-O 2.99Å; K198-D243 IonicContact NZ-OD1 2.75Å; K198-D243 PolarHBondContact NZ-OD1 3.18Å
199	K	87.1	Confident	87.4	Confident	183 Å²	183	66.6 Å²	66.6	80%	0.796	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-50.4	140.8	177.5	-68.1	-174.3	179.3	-177.3	0	110.9
200	V	82.9	Confident	87.4	Confident	21 Å²	21	67 Å²	67	13%	0.127	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-69.3	144.7	173.9	-139.2	0	0	0	0	108.9	F178 P202 L204 V235 Q236	F178-V200 HydrophobicContact CB-CG2 3.64Å; F178-V200 HydrophobicContact CD1-CG2 4.07Å; F178-V200 HydrophobicContact CG-CG2 4.38Å; V200-P202 HydrophobicContact CG1-CG 4.15Å; V200-L204 HydrophobicContact CG2-CD1 4.03Å; V200-V235 HydrophobicContact CG1-CB 3.88Å; V200-V235 HydrophobicContact CG1-CG2 3.84Å; V200-V235 WeakPolarHBondContact CG1-O 3.32Å; V200-Q236 HydrophobicContact CG1-CB 3.96Å
201	V	70.1	Confident	87.5	Confident	143 Å²	143	69.8 Å²	69.8	87%	0.867	36%	0.355	S	S	*	.	S	Bend	trans	-75.1	-40.7	-179.9	-177.6	0	0	0	0	114.7
202	P	73.9	Confident	87.6	Confident	56 Å²	56	68 Å²	68	36%	0.364	34%	0.341	S	S	.	.	S	Bend	trans	-75.3	151.5	-177.9	31.4	-33	0	0	0	111.8	V200 L204 V235	V200-P202 HydrophobicContact CG1-CG 4.15Å; P202-L204 PolarHBondContact O-N 3.17Å; P202-V235 HydrophobicContact CG-CB 4.11Å; P202-V235 HydrophobicContact CG-CG1 4.36Å
203	E	79.8	Confident	87.8	Confident	163 Å²	163	63.9 Å²	63.9	76%	0.762	33%	0.325	S	S	*	.			trans	-63.9	123	174.3	-173.4	170.1	-159.8	0	0	110.5	E205	E203-E205 HydrophobicContact CG-CB 4.24Å
204	L	85.8	Confident	87.9	Confident	14 Å²	14	61.2 Å²	61.2	7%	0.073	31%	0.313	C	S	.	.			trans	-95.8	-8.5	-175.7	-61	175.6	0	0	0	113.7	N176 F178 V200 P202 S206 Y207 F208 I230	N176-L204 HydrophobicContact CB-CB 4.19Å; F178-L204 HydrophobicContact CB-CD1 3.81Å; V200-L204 HydrophobicContact CG2-CD1 4.03Å; P202-L204 PolarHBondContact O-N 3.17Å; L204-S206 VanDerWaalsContact C-N 3.27Å; L204-S206 PolarHBondContact O-N 2.87Å; L204-Y207 HydrophobicContact CB-CD2 4.5Å; L204-Y207 HydrophobicContact CD2-CD2 4.25Å; L204-Y207 HydrophobicContact CD2-CE2 4.3Å; L204-Y207 WeakPolarHBondContact O-CD2 3.44Å; L204-Y207 PolarHBondContact O-N 2.93Å; L204-Y207 VanDerWaalsContact O-N 3.13Å; L204-F208 HydrophobicContact CB-CE2 3.98Å; L204-F208 VanDerWaalsContact O-CD2 3.22Å; L204-F208 WeakPolarHBondContact O-CD2 3.2Å; L204-I230 HydrophobicContact CD2-CD1 3.78Å
205	E	85.7	Confident	88	Confident	54 Å²	54	57.8 Å²	57.8	25%	0.252	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-57.3	-34.8	-169.2	-178.9	57	-133.8	0	0	113.6	K171 N176 E203 Y207 F208 S209	K171-E205 WeakPolarHBondContact CE-OE2 3.29Å; K171-E205 IonicContact NZ-OE1 2.6Å; K171-E205 PolarHBondContact NZ-OE1 2.81Å; K171-E205 IonicContact NZ-OE2 2.64Å; K171-E205 PolarHBondContact NZ-OE2 3.24Å; N176-E205 PolarHBondContact ND2-OE2 2.84Å; N176-E205 PolarHBondContact OD1-OE2 3.37Å; E203-E205 HydrophobicContact CG-CB 4.24Å; E205-Y207 VanDerWaalsContact C-N 3.33Å; E205-Y207 PolarHBondContact O-N 2.92Å; E205-F208 PolarHBondContact O-N 2.87Å; E205-S209 PolarHBondContact O-OG 2.94Å
206	S	86.8	Confident	88.2	Confident	61 Å²	61	57.8 Å²	57.8	43%	0.427	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60	-41.4	178.9	54.8	0	0	0	0	112.6	L204 F208 S209 D210	L204-S206 VanDerWaalsContact C-N 3.27Å; L204-S206 PolarHBondContact O-N 2.87Å; S206-F208 PolarHBondContact O-N 2.9Å; S206-F208 VanDerWaalsContact O-N 3.1Å; S206-S209 PolarHBondContact O-N 3.28Å; S206-S209 VanDerWaalsContact O-N 3.11Å; S206-S209 PolarHBondContact O-OG 3.44Å; S206-D210 WeakPolarHBondContact O-CB 3.39Å; S206-D210 PolarHBondContact O-N 2.89Å
207	Y	90.1	Very high	88.3	Confident	40 Å²	40	54.3 Å²	54.3	16%	0.157	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-68.9	-9.5	-176.7	-54.9	-74.5	0	0	0	113.9	F132 L204 E205 H214 I230	F132-Y207 VanDerWaalsContact CD2-O 3.27Å; F132-Y207 WeakPolarHBondContact CD2-O 3.29Å; F132-Y207 WeakPolarHBondContact CE2-O 3.41Å; L204-Y207 HydrophobicContact CB-CD2 4.5Å; L204-Y207 HydrophobicContact CD2-CD2 4.25Å; L204-Y207 HydrophobicContact CD2-CE2 4.3Å; L204-Y207 WeakPolarHBondContact O-CD2 3.44Å; L204-Y207 PolarHBondContact O-N 2.93Å; L204-Y207 VanDerWaalsContact O-N 3.13Å; E205-Y207 VanDerWaalsContact C-N 3.33Å; E205-Y207 PolarHBondContact O-N 2.92Å; Y207-H214 AromaticContact CD1-CD2 4Å; Y207-H214 AromaticContact CD1-CE1 3.63Å; Y207-H214 AromaticContact CD1-CG 3.84Å; Y207-H214 AromaticContact CD1-ND1 3.6Å; Y207-H214 AromaticContact CD1-NE2 3.84Å; Y207-H214 PolarHBondContact O-CD2 3.21Å; Y207-I230 HydrophobicContact CD1-CG2 3.72Å; Y207-I230 HydrophobicContact CD2-CD1 4.37Å; Y207-I230 HydrophobicContact CE1-CB 4.48Å; Y207-I230 HydrophobicContact CE1-CG2 3.56Å; Y207-I230 HydrophobicContact CE2-CD1 4.32Å; Y207-I230 HydrophobicContact CE2-CG2 4.45Å; Y207-I230 HydrophobicContact CG-CG2 4.23Å
208	F	89.7	Confident	88.5	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.018	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-104.5	-10	177.3	-65.5	-78.8	0	0	0	113.3	F132 G135 I136 P169 K171 N176 L204 E205 S206	F132-F208 HydrophobicContact CD2-CD1 4.39Å; F132-F208 HydrophobicContact CE1-CD1 4.42Å; F132-F208 AromaticContact CE2-CD1 3.68Å; F132-F208 HydrophobicContact CE2-CD1 3.68Å; F132-F208 HydrophobicContact CE2-CE1 4.21Å; F132-F208 HydrophobicContact CE2-CG 4.47Å; F132-F208 AromaticContact CZ-CD1 3.7Å; F132-F208 HydrophobicContact CZ-CD1 3.7Å; F132-F208 AromaticContact CZ-CE1 3.95Å; F132-F208 HydrophobicContact CZ-CE1 3.95Å; G135-F208 WeakPolarHBondContact CA-O 3.5Å; I136-F208 HydrophobicContact CG2-CB 3.87Å; I136-F208 HydrophobicContact CG2-CD1 3.65Å; I136-F208 HydrophobicContact CG2-CG 4.22Å; I136-F208 PolarHBondContact N-O 3.19Å; I136-F208 VanDerWaalsContact N-O 3.16Å; P169-F208 HydrophobicContact CB-CE1 3.65Å; P169-F208 HydrophobicContact CB-CZ 3.72Å; K171-F208 HydrophobicContact CB-CD1 3.7Å; K171-F208 HydrophobicContact CB-CD2 4.43Å; K171-F208 HydrophobicContact CB-CE1 3.64Å; K171-F208 HydrophobicContact CB-CE2 4.42Å; K171-F208 HydrophobicContact CB-CG 4.09Å; K171-F208 HydrophobicContact CB-CZ 4.03Å; K171-F208 HydrophobicContact CD-CB 3.67Å; K171-F208 HydrophobicContact CD-CD1 4.14Å; K171-F208 HydrophobicContact CD-CD2 4.15Å; K171-F208 HydrophobicContact CD-CG 3.75Å; N176-F208 HydrophobicContact CB-CE2 4.03Å; L204-F208 HydrophobicContact CB-CE2 3.98Å; L204-F208 VanDerWaalsContact O-CD2 3.22Å; L204-F208 WeakPolarHBondContact O-CD2 3.2Å; E205-F208 PolarHBondContact O-N 2.87Å; S206-F208 PolarHBondContact O-N 2.9Å; S206-F208 VanDerWaalsContact O-N 3.1Å
209	S	87.6	Confident	88.8	Confident	59 Å²	59	48.7 Å²	48.7	41%	0.413	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-18.4	-165.2	56.9	0	0	0	0	114.9	E205 S206 K211	E205-S209 PolarHBondContact O-OG 2.94Å; S206-S209 PolarHBondContact O-N 3.28Å; S206-S209 VanDerWaalsContact O-N 3.11Å; S206-S209 PolarHBondContact O-OG 3.44Å; S209-K211 VanDerWaalsContact C-N 3.33Å; S209-K211 PolarHBondContact O-N 3.38Å
210	D	88	Confident	89.2	Confident	63 Å²	63	40 Å²	40	34%	0.337	22%	0.216	S	C	.	.	S	Bend	trans	-77.5	-13.9	-177.6	78.3	-8.2	0	0	0	114.9	S206 K212 H214	S206-D210 WeakPolarHBondContact O-CB 3.39Å; S206-D210 PolarHBondContact O-N 2.89Å; D210-K212 VanDerWaalsContact C-N 3.27Å; D210-K212 HydrophobicContact CB-CG 4.47Å; D210-K212 PolarHBondContact O-N 3.39Å; D210-K212 PolarHBondContact OD1-N 3.11Å; D210-H214 IonicContact OD1-CE1 2.62Å; D210-H214 IonicContact OD1-NE2 3.7Å; D210-H214 PolarHBondContact OD1-NE2 2.98Å; D210-H214 IonicContact OD2-CE1 3.89Å; D210-H214 PolarHBondContact OD2-CE1 2.88Å; D210-H214 VanDerWaalsContact OD2-CE1 3.28Å; D210-H214 IonicContact OD2-NE2 2.96Å; D210-H214 PolarHBondContact OD2-NE2 2.8Å
211	K	90.2	Very high	89.8	Confident	95 Å²	95	41.7 Å²	41.7	41%	0.413	22%	0.22	S	C	.	.			trans	67.3	16	-178.9	-51.7	177.7	172.1	-139.5	0	115	K131 F132 Q133 D134 S209	K131-K211 WeakPolarHBondContact CE-O 3.45Å; F132-K211 WeakPolarHBondContact O-CA 3.31Å; Q133-K211 VanDerWaalsContact O-CD 3.29Å; Q133-K211 WeakPolarHBondContact O-CD 3.38Å; Q133-K211 WeakPolarHBondContact O-CG 3.49Å; D134-K211 VanDerWaalsContact C-CE 3.45Å; D134-K211 WeakPolarHBondContact O-CE 3.37Å; D134-K211 PolarHBondContact O-NZ 3.06Å; D134-K211 VanDerWaalsContact O-NZ 3.09Å; D134-K211 IonicContact OD1-NZ 3.29Å; S209-K211 VanDerWaalsContact C-N 3.33Å; S209-K211 PolarHBondContact O-N 3.38Å
212	K	91.4	Very high	90.9	Very high	45 Å²	45	36.8 Å²	36.8	20%	0.196	19%	0.191	C	C	.	.			trans	-89.1	168.6	177.2	-58.9	-174.7	-178.8	-172.8	0	110.8	D210 D445 E457	D210-K212 VanDerWaalsContact C-N 3.27Å; D210-K212 HydrophobicContact CB-CG 4.47Å; D210-K212 PolarHBondContact O-N 3.39Å; D210-K212 PolarHBondContact OD1-N 3.11Å; K212-D445 VanDerWaalsContact CE-OD2 3.25Å; K212-D445 WeakPolarHBondContact CE-OD2 3.32Å; K212-D445 IonicContact NZ-OD2 2.71Å; K212-D445 PolarHBondContact NZ-OD2 3.1Å; K212-E457 IonicContact NZ-OE1 3.64Å; K212-E457 PolarHBondContact NZ-OE1 2.87Å
213	T	93.9	Very high	91.8	Very high	12 Å²	12	39 Å²	39	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.3	174.6	-55.3	0	0	0	0	110	D129 K131 W434 E441	D129-T213 HydrophobicContact CB-CG2 3.91Å; K131-T213 HydrophobicContact CB-CG2 4.43Å; K131-T213 WeakPolarHBondContact CD-OG1 3.31Å; T213-W434 PolarHBondContact O-NE1 3.04Å; T213-E441 PolarHBondContact N-OE2 2.99Å; T213-E441 PolarHBondContact OG1-OE1 3.4Å; T213-E441 PolarHBondContact OG1-OE2 3.33Å
214	H	95.4	Very high	92.4	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.028	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.2	178.6	-61.8	-59.4	0	0	0	112.8	D129 V130 Y207 D210 Y216 D231	D129-H214 WeakPolarHBondContact CA-O 3.37Å; V130-H214 PolarHBondContact N-O 2.89Å; V130-H214 PolarHBondContact O-N 3.32Å; Y207-H214 AromaticContact CD1-CD2 4Å; Y207-H214 AromaticContact CD1-CE1 3.63Å; Y207-H214 AromaticContact CD1-CG 3.84Å; Y207-H214 AromaticContact CD1-ND1 3.6Å; Y207-H214 AromaticContact CD1-NE2 3.84Å; Y207-H214 PolarHBondContact O-CD2 3.21Å; D210-H214 IonicContact OD1-CE1 2.62Å; D210-H214 IonicContact OD1-NE2 3.7Å; D210-H214 PolarHBondContact OD1-NE2 2.98Å; D210-H214 IonicContact OD2-CE1 3.89Å; D210-H214 PolarHBondContact OD2-CE1 2.88Å; D210-H214 VanDerWaalsContact OD2-CE1 3.28Å; D210-H214 IonicContact OD2-NE2 2.96Å; D210-H214 PolarHBondContact OD2-NE2 2.8Å; H214-Y216 HydrophobicContact CB-CD2 4.47Å; H214-Y216 HydrophobicContact CB-CE2 3.64Å; H214-D231 WeakPolarHBondContact CA-OD1 2.78Å; H214-D231 WeakPolarHBondContact CB-OD1 3.34Å; H214-D231 IonicContact CE1-OD2 2.62Å; H214-D231 IonicContact CG-OD1 3.47Å; H214-D231 IonicContact CG-OD2 3.87Å; H214-D231 IonicContact ND1-OD1 3.93Å; H214-D231 PolarHBondContact ND1-OD1 3.25Å; H214-D231 IonicContact ND1-OD2 2.62Å; H214-D231 PolarHBondContact ND1-OD2 2.82Å
215	L	96.6	Very high	92.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.7	-179.3	-179.6	74.4	0	0	0	109.8	Q127 D129 I230 D231 Q232 A430 W434	Q127-L215 HydrophobicContact CG-CD1 3.48Å; Q127-L215 VanDerWaalsContact CG-CD1 3.48Å; Q127-L215 HydrophobicContact CG-CG 4.13Å; D129-L215 WeakPolarHBondContact OD1-CD1 3.32Å; L215-I230 CarbonylContact O-C 3.6Å; L215-I230 VanDerWaalsContact O-CA 3.31Å; L215-I230 WeakPolarHBondContact O-CA 3.16Å; L215-D231 PolarHBondContact N-OD1 3.37Å; L215-D231 PolarHBondContact O-N 2.77Å; L215-Q232 HydrophobicContact CD2-CG 3.86Å; L215-A430 HydrophobicContact CD2-CB 3.71Å; L215-W434 HydrophobicContact CB-CD2 3.62Å; L215-W434 HydrophobicContact CB-CE3 4.17Å; L215-W434 HydrophobicContact CB-CG 3.76Å; L215-W434 HydrophobicContact CB-CZ2 4.17Å; L215-W434 HydrophobicContact CD1-CB 4.1Å; L215-W434 HydrophobicContact CD1-CG 4.23Å; L215-W434 HydrophobicContact CD2-CD2 4.08Å; L215-W434 HydrophobicContact CD2-CE3 3.84Å; L215-W434 HydrophobicContact CD2-CG 4.44Å; L215-W434 HydrophobicContact CD2-CZ3 4.3Å; L215-W434 HydrophobicContact CG-CD2 4.34Å; L215-W434 HydrophobicContact CG-CG 4.38Å
216	Y	97	Very high	93.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.9	178.6	-63.9	-88.6	0	0	0	110.2	Q127 Y128 V130 P169 F178 H214 I230	Q127-Y216 VanDerWaalsContact CA-O 3.32Å; Q127-Y216 WeakPolarHBondContact CA-O 3.38Å; Y128-Y216 PolarHBondContact N-O 3.12Å; Y128-Y216 PolarHBondContact O-N 2.93Å; V130-Y216 HydrophobicContact CB-CD2 4.24Å; V130-Y216 HydrophobicContact CB-CE2 3.87Å; V130-Y216 HydrophobicContact CG2-CD2 3.95Å; V130-Y216 HydrophobicContact CG2-CE2 4.02Å; P169-Y216 HydrophobicContact CB-CE1 3.84Å; P169-Y216 HydrophobicContact CG-CD1 4.25Å; P169-Y216 HydrophobicContact CG-CD2 4.29Å; P169-Y216 HydrophobicContact CG-CE1 3.77Å; P169-Y216 HydrophobicContact CG-CE2 3.86Å; P169-Y216 HydrophobicContact CG-CG 4.48Å; F178-Y216 HydrophobicContact CD2-CD1 4.27Å; F178-Y216 AromaticContact CE2-CD1 3.5Å; F178-Y216 HydrophobicContact CE2-CD1 3.5Å; F178-Y216 HydrophobicContact CE2-CE1 4.25Å; F178-Y216 HydrophobicContact CE2-CG 4.36Å; F178-Y216 AromaticContact CZ-CD1 3.74Å; F178-Y216 HydrophobicContact CZ-CD1 3.74Å; H214-Y216 HydrophobicContact CB-CD2 4.47Å; H214-Y216 HydrophobicContact CB-CE2 3.64Å; Y216-I230 HydrophobicContact CD1-CD1 4.36Å; Y216-I230 HydrophobicContact CD1-CG1 4.01Å; Y216-I230 HydrophobicContact CD1-CG2 4.46Å; Y216-I230 HydrophobicContact CE1-CD1 3.99Å; Y216-I230 HydrophobicContact CE1-CG1 4.07Å; Y216-I230 HydrophobicContact CE1-CG2 4.12Å
217	T	97.6	Very high	93.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.1	-179	-43.8	0	0	0	0	111.5	V125 I126 Q127 V219 Y229	V125-T217 HydrophobicContact CG1-CG2 3.52Å; I126-T217 CarbonylContact O-C 3.49Å; I126-T217 WeakPolarHBondContact O-CA 3.45Å; Q127-T217 HydrophobicContact CB-CG2 4.17Å; Q127-T217 HydrophobicContact CG-CG2 4.33Å; Q127-T217 WeakPolarHBondContact CG-OG1 3.22Å; Q127-T217 PolarHBondContact OE1-OG1 3Å; T217-V219 HydrophobicContact CG2-CG2 4.34Å; T217-Y229 PolarHBondContact N-O 2.73Å; T217-Y229 PolarHBondContact O-N 2.62Å
218	L	97.2	Very high	94	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.4	168.4	178.8	62.1	0	0	0	109.1	V125 I126 I165 F167 F180 L220 R228	V125-L218 WeakPolarHBondContact CA-O 3.42Å; I126-L218 HydrophobicContact CB-CB 4.41Å; I126-L218 HydrophobicContact CD1-CD2 4.22Å; I126-L218 PolarHBondContact N-O 2.74Å; I126-L218 PolarHBondContact O-N 2.76Å; I165-L218 HydrophobicContact CG2-CD2 4.18Å; F167-L218 HydrophobicContact CB-CD2 4.1Å; F167-L218 HydrophobicContact CD1-CB 3.88Å; F167-L218 HydrophobicContact CD2-CB 3.85Å; F167-L218 HydrophobicContact CD2-CD1 4.39Å; F167-L218 HydrophobicContact CD2-CD2 3.98Å; F167-L218 HydrophobicContact CD2-CG 4.3Å; F167-L218 HydrophobicContact CE1-CB 3.72Å; F167-L218 HydrophobicContact CE2-CB 3.68Å; F167-L218 HydrophobicContact CE2-CD1 4.37Å; F167-L218 HydrophobicContact CE2-CG 4.43Å; F167-L218 HydrophobicContact CG-CB 3.94Å; F167-L218 HydrophobicContact CG-CD2 3.94Å; F167-L218 HydrophobicContact CZ-CB 3.62Å; F180-L218 HydrophobicContact CD1-CD1 3.87Å; F180-L218 HydrophobicContact CD2-CD1 4.27Å; F180-L218 HydrophobicContact CD2-CD2 3.72Å; F180-L218 HydrophobicContact CE1-CD1 3.91Å; F180-L218 HydrophobicContact CE2-CD1 4.36Å; F180-L218 HydrophobicContact CE2-CD2 3.69Å; F180-L218 HydrophobicContact CG-CD1 4.08Å; F180-L218 HydrophobicContact CG-CD2 4.32Å; F180-L218 HydrophobicContact CZ-CD1 4.22Å; F180-L218 HydrophobicContact CZ-CD2 4.23Å; L218-L220 HydrophobicContact CD1-CD2 3.97Å; L218-L220 HydrophobicContact CD1-CG 4.44Å; L218-L220 HydrophobicContact CD2-CD1 4.2Å; L218-L220 HydrophobicContact CD2-CD2 4.32Å; L218-L220 HydrophobicContact CD2-CG 4.22Å; L218-L220 HydrophobicContact CG-CD2 4.13Å; L218-L220 HydrophobicContact CG-CG 4.06Å; L218-R228 HydrophobicContact CD1-CG 3.88Å
219	V	97.1	Very high	94.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.2	171.7	-177	0	0	0	0	108.4	E123 V125 T217 R221 F226 E227 Y229 K423	E123-V219 HydrophobicContact CG-CG1 3.78Å; E123-V219 WeakPolarHBondContact OE2-CG1 3.23Å; V125-V219 HydrophobicContact CG1-CG2 4.17Å; V125-V219 HydrophobicContact CG2-CB 4.47Å; V125-V219 HydrophobicContact CG2-CG1 4.13Å; V125-V219 HydrophobicContact CG2-CG2 4.07Å; T217-V219 HydrophobicContact CG2-CG2 4.34Å; V219-R221 HydrophobicContact CG1-CG 4.43Å; V219-F226 CarbonylContact O-C 3.42Å; V219-F226 VanDerWaalsContact O-CA 3.26Å; V219-F226 WeakPolarHBondContact O-CA 3.45Å; V219-E227 HydrophobicContact CB-CB 4.3Å; V219-E227 PolarHBondContact N-O 2.64Å; V219-E227 PolarHBondContact O-N 3.09Å; V219-Y229 HydrophobicContact CG2-CD2 4.17Å; V219-Y229 HydrophobicContact CG2-CE2 3.81Å; V219-K423 HydrophobicContact CG2-CD 3.72Å; V219-K423 HydrophobicContact CG2-CG 4.43Å
220	L	95.9	Very high	94.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.4	175.2	-58.9	178.3	0	0	0	109.4	E123 L124 I165 F180 L218 F226 L240 F392	E123-L220 CarbonylContact C-O 3.5Å; E123-L220 VanDerWaalsContact CA-O 3.31Å; E123-L220 WeakPolarHBondContact CA-O 3.29Å; L124-L220 HydrophobicContact CB-CB 4.5Å; L124-L220 PolarHBondContact N-O 3.02Å; L124-L220 PolarHBondContact O-N 3.48Å; I165-L220 HydrophobicContact CD1-CD1 3.59Å; F180-L220 HydrophobicContact CE1-CD2 3.8Å; F180-L220 HydrophobicContact CE2-CD2 4.23Å; F180-L220 HydrophobicContact CZ-CD1 4.37Å; F180-L220 HydrophobicContact CZ-CD2 3.38Å; F180-L220 HydrophobicContact CZ-CG 4.47Å; L218-L220 HydrophobicContact CD1-CD2 3.97Å; L218-L220 HydrophobicContact CD1-CG 4.44Å; L218-L220 HydrophobicContact CD2-CD1 4.2Å; L218-L220 HydrophobicContact CD2-CD2 4.32Å; L218-L220 HydrophobicContact CD2-CG 4.22Å; L218-L220 HydrophobicContact CG-CD2 4.13Å; L218-L220 HydrophobicContact CG-CG 4.06Å; L220-F226 HydrophobicContact CD2-CB 3.58Å; L220-L240 HydrophobicContact CD2-CD2 4.4Å; L220-F392 HydrophobicContact CB-CD2 4.11Å; L220-F392 HydrophobicContact CB-CE2 3.72Å
221	R	95.3	Very high	94.8	Very high	56 Å²	56	22.3 Å²	22.3	21%	0.211	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.6	-178.6	-65.5	-174.2	-168.8	103.6	5.6	112.6	N122 E123 V219 D223 N224 S225 E227 F392	N122-R221 VanDerWaalsContact O-CA 3.32Å; N122-R221 WeakPolarHBondContact O-CA 3.27Å; E123-R221 HydrophobicContact CB-CG 4.4Å; E123-R221 HydrophobicContact CG-CG 4.06Å; E123-R221 IonicContact OE2-CZ 2.64Å; E123-R221 IonicContact OE2-NE 3.74Å; E123-R221 PolarHBondContact OE2-NE 3.41Å; E123-R221 IonicContact OE2-NH2 2.73Å; E123-R221 PolarHBondContact OE2-NH2 2.96Å; V219-R221 HydrophobicContact CG1-CG 4.43Å; R221-D223 WeakPolarHBondContact CB-OD1 3.4Å; R221-D223 PolarHBondContact O-N 3.36Å; R221-D223 VanDerWaalsContact O-N 3.16Å; R221-N224 PolarHBondContact O-N 3.46Å; R221-S225 PolarHBondContact N-O 2.98Å; R221-E227 IonicContact CZ-OE2 2.67Å; R221-E227 IonicContact NH1-OE1 3.37Å; R221-E227 IonicContact NH1-OE2 2.66Å; R221-E227 PolarHBondContact NH1-OE2 3.29Å; R221-E227 IonicContact NH2-OE2 2.8Å; R221-E227 PolarHBondContact NH2-OE2 3.16Å; R221-F392 WeakPolarHBondContact O-CD2 3.43Å
222	S	93.4	Very high	94.9	Very high	39 Å²	39	21 Å²	21	27%	0.273	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.2	-179.4	63.2	0	0	0	0	114.7	N122	N122-S222 PolarHBondContact O-N 2.94Å; N122-S222 PolarHBondContact O-OG 3.11Å
223	D	93.2	Very high	94.9	Very high	104 Å²	104	22.3 Å²	22.3	56%	0.556	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	7	171.1	65.6	-3.3	0	0	0	112.7	R221 S225	R221-D223 WeakPolarHBondContact CB-OD1 3.4Å; R221-D223 PolarHBondContact O-N 3.36Å; R221-D223 VanDerWaalsContact O-N 3.16Å; D223-S225 PolarHBondContact O-N 2.92Å; D223-S225 VanDerWaalsContact OD1-CB 3.23Å; D223-S225 WeakPolarHBondContact OD1-CB 3.18Å; D223-S225 PolarHBondContact OD1-N 2.86Å; D223-S225 PolarHBondContact OD1-OG 3.07Å; D223-S225 PolarHBondContact OD2-OG 3.07Å
224	N	92.8	Very high	94.9	Very high	11 Å²	11	26.7 Å²	26.7	6%	0.059	13%	0.133	C	C	.	.	S	Bend	trans	66.7	11.8	-173.8	-45.3	-66.6	0	0	0	114.5	R221 S239 L240 K389 P391 F392	R221-N224 PolarHBondContact O-N 3.46Å; N224-S239 WeakPolarHBondContact O-CA 3.3Å; N224-L240 HydrophobicContact CB-CB 4.25Å; N224-L240 HydrophobicContact CB-CD1 4.32Å; N224-L240 HydrophobicContact CB-CG 4.47Å; N224-L240 WeakPolarHBondContact O-CG 3.37Å; N224-L240 PolarHBondContact O-N 3.1Å; N224-K389 PolarHBondContact ND2-O 3.48Å; N224-P391 HydrophobicContact CB-CG 4.19Å; N224-P391 WeakPolarHBondContact OD1-CD 3.39Å; N224-P391 WeakPolarHBondContact OD1-CG 3.38Å; N224-F392 PolarHBondContact OD1-N 3.3Å; N224-F392 VanDerWaalsContact OD1-N 3.16Å
225	S	95.3	Very high	94.7	Very high	27 Å²	27	27.3 Å²	27.3	19%	0.189	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	148.9	167.2	71.8	0	0	0	0	111.3	R221 D223 G238	R221-S225 PolarHBondContact N-O 2.98Å; D223-S225 PolarHBondContact O-N 2.92Å; D223-S225 VanDerWaalsContact OD1-CB 3.23Å; D223-S225 WeakPolarHBondContact OD1-CB 3.18Å; D223-S225 PolarHBondContact OD1-N 2.86Å; D223-S225 PolarHBondContact OD1-OG 3.07Å; D223-S225 PolarHBondContact OD2-OG 3.07Å; S225-G238 WeakPolarHBondContact CA-O 3.26Å
226	F	95.7	Very high	94.5	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.3	169	73.9	-87.8	0	0	0	111.4	F180 V219 L220 R228 Q236 S237 G238 L240 D243 F244	F180-F226 AromaticContact CD1-CD2 3.85Å; F180-F226 HydrophobicContact CD1-CD2 3.85Å; F180-F226 HydrophobicContact CD1-CE2 4.06Å; F180-F226 HydrophobicContact CD1-CG 4.3Å; F180-F226 HydrophobicContact CE1-CB 3.95Å; F180-F226 HydrophobicContact CE1-CD1 4.22Å; F180-F226 AromaticContact CE1-CD2 3.73Å; F180-F226 HydrophobicContact CE1-CD2 3.73Å; F180-F226 HydrophobicContact CE1-CE2 4.27Å; F180-F226 AromaticContact CE1-CG 3.7Å; F180-F226 HydrophobicContact CE1-CG 3.7Å; V219-F226 CarbonylContact O-C 3.42Å; V219-F226 VanDerWaalsContact O-CA 3.26Å; V219-F226 WeakPolarHBondContact O-CA 3.45Å; L220-F226 HydrophobicContact CD2-CB 3.58Å; F226-R228 HydrophobicContact CD2-CG 4Å; F226-R228 HydrophobicContact CE2-CG 4.19Å; F226-Q236 HydrophobicContact CE2-CG 4.42Å; F226-S237 WeakPolarHBondContact O-CA 3.09Å; F226-G238 VanDerWaalsContact CD1-C 3.47Å; F226-G238 WeakPolarHBondContact CD1-O 3.26Å; F226-G238 PolarHBondContact N-O 2.86Å; F226-G238 PolarHBondContact O-N 2.85Å; F226-L240 HydrophobicContact CB-CD2 4.49Å; F226-L240 HydrophobicContact CD1-CD2 4.14Å; F226-D243 HydrophobicContact CE1-CB 3.94Å; F226-D243 HydrophobicContact CZ-CB 4.03Å; F226-F244 AromaticContact CD1-CE2 3.99Å; F226-F244 HydrophobicContact CD1-CE2 3.99Å; F226-F244 HydrophobicContact CE1-CD2 4.39Å; F226-F244 AromaticContact CE1-CE2 3.53Å; F226-F244 HydrophobicContact CE1-CE2 3.53Å; F226-F244 HydrophobicContact CE1-CZ 4.31Å; F226-F244 HydrophobicContact CZ-CE2 4.08Å
227	E	95.7	Very high	94.3	Very high	23 Å²	23	32 Å²	32	11%	0.107	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.6	172.2	-59.2	-178.6	135.4	0	0	109.8	V219 R221 Y229 K234 Q236	V219-E227 HydrophobicContact CB-CB 4.3Å; V219-E227 PolarHBondContact N-O 2.64Å; V219-E227 PolarHBondContact O-N 3.09Å; R221-E227 IonicContact CZ-OE2 2.67Å; R221-E227 IonicContact NH1-OE1 3.37Å; R221-E227 IonicContact NH1-OE2 2.66Å; R221-E227 PolarHBondContact NH1-OE2 3.29Å; R221-E227 IonicContact NH2-OE2 2.8Å; R221-E227 PolarHBondContact NH2-OE2 3.16Å; E227-Y229 HydrophobicContact CB-CD2 4.3Å; E227-Y229 HydrophobicContact CB-CE2 3.5Å; E227-Y229 VanDerWaalsContact CD-OH 3.24Å; E227-Y229 PolarHBondContact OE2-OH 3.03Å; E227-K234 WeakPolarHBondContact OE1-CE 3.25Å; E227-K234 IonicContact OE1-NZ 2.73Å; E227-K234 PolarHBondContact OE1-NZ 2.84Å; E227-Q236 WeakPolarHBondContact CA-O 3.24Å
228	R	95.3	Very high	94.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.7	176.8	-54.2	-159.3	-78.2	164.7	-15.7	109	F178 K198 L218 F226 V235 Q236	F178-R228 HydrophobicContact CE1-CB 3.81Å; F178-R228 PolarHBondContact O-NH1 3.08Å; K198-R228 PolarHBondContact O-NH2 3.15Å; L218-R228 HydrophobicContact CD1-CG 3.88Å; F226-R228 HydrophobicContact CD2-CG 4Å; F226-R228 HydrophobicContact CE2-CG 4.19Å; R228-V235 HydrophobicContact CB-CG2 4.09Å; R228-V235 WeakPolarHBondContact O-CG2 3.45Å; R228-V235 PolarHBondContact O-N 2.77Å; R228-Q236 PolarHBondContact N-O 3.35Å; R228-Q236 PolarHBondContact O-N 3.39Å
229	Y	94.9	Very high	94	Very high	24 Å²	24	34 Å²	34	9%	0.094	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.4	178.9	-57.2	-104.6	0	0	0	109.9	T217 V219 E227 Q232 I233 K234	T217-Y229 PolarHBondContact N-O 2.73Å; T217-Y229 PolarHBondContact O-N 2.62Å; V219-Y229 HydrophobicContact CG2-CD2 4.17Å; V219-Y229 HydrophobicContact CG2-CE2 3.81Å; E227-Y229 HydrophobicContact CB-CD2 4.3Å; E227-Y229 HydrophobicContact CB-CE2 3.5Å; E227-Y229 VanDerWaalsContact CD-OH 3.24Å; E227-Y229 PolarHBondContact OE2-OH 3.03Å; Y229-Q232 WeakPolarHBondContact CD1-O 3.43Å; Y229-I233 CarbonylContact C-O 3.38Å; Y229-I233 WeakPolarHBondContact CA-O 3.21Å; Y229-K234 HydrophobicContact CD1-CB 3.83Å; Y229-K234 HydrophobicContact CD1-CG 4.3Å; Y229-K234 HydrophobicContact CE1-CB 3.62Å; Y229-K234 HydrophobicContact CE1-CG 3.92Å; Y229-K234 WeakPolarHBondContact OH-CE 3.48Å
230	I	94.7	Very high	93.7	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.5	164.6	-55.4	179	0	0	0	105.5	F178 L204 Y207 L215 Y216 Q232 I233 V235	F178-I230 HydrophobicContact CD1-CD1 4.11Å; F178-I230 HydrophobicContact CD1-CG1 4.42Å; F178-I230 HydrophobicContact CE1-CD1 3.99Å; F178-I230 HydrophobicContact CE1-CG1 3.79Å; F178-I230 HydrophobicContact CZ-CD1 4.46Å; F178-I230 HydrophobicContact CZ-CG1 4.06Å; L204-I230 HydrophobicContact CD2-CD1 3.78Å; Y207-I230 HydrophobicContact CD1-CG2 3.72Å; Y207-I230 HydrophobicContact CD2-CD1 4.37Å; Y207-I230 HydrophobicContact CE1-CB 4.48Å; Y207-I230 HydrophobicContact CE1-CG2 3.56Å; Y207-I230 HydrophobicContact CE2-CD1 4.32Å; Y207-I230 HydrophobicContact CE2-CG2 4.45Å; Y207-I230 HydrophobicContact CG-CG2 4.23Å; L215-I230 CarbonylContact O-C 3.6Å; L215-I230 VanDerWaalsContact O-CA 3.31Å; L215-I230 WeakPolarHBondContact O-CA 3.16Å; Y216-I230 HydrophobicContact CD1-CD1 4.36Å; Y216-I230 HydrophobicContact CD1-CG1 4.01Å; Y216-I230 HydrophobicContact CD1-CG2 4.46Å; Y216-I230 HydrophobicContact CE1-CD1 3.99Å; Y216-I230 HydrophobicContact CE1-CG1 4.07Å; Y216-I230 HydrophobicContact CE1-CG2 4.12Å; I230-Q232 PolarHBondContact O-N 3.45Å; I230-Q232 VanDerWaalsContact O-N 3.17Å; I230-I233 PolarHBondContact N-O 2.86Å; I230-I233 WeakPolarHBondContact O-CA 3.23Å; I230-I233 WeakPolarHBondContact O-CB 3.14Å; I230-I233 PolarHBondContact O-N 2.84Å; I230-V235 HydrophobicContact CB-CG1 4.04Å; I230-V235 HydrophobicContact CD1-CG1 4.08Å; I230-V235 HydrophobicContact CD1-CG2 4.23Å; I230-V235 HydrophobicContact CG1-CG1 3.93Å; I230-V235 HydrophobicContact CG1-CG2 4.02Å
231	D	93.1	Very high	93.5	Very high	18 Å²	18	36.1 Å²	36.1	10%	0.096	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	35.1	178.2	-68	6.1	0	0	0	113.8	H214 L215 I233 W434 K438	H214-D231 WeakPolarHBondContact CA-OD1 2.78Å; H214-D231 WeakPolarHBondContact CB-OD1 3.34Å; H214-D231 IonicContact CE1-OD2 2.62Å; H214-D231 IonicContact CG-OD1 3.47Å; H214-D231 IonicContact CG-OD2 3.87Å; H214-D231 IonicContact ND1-OD1 3.93Å; H214-D231 PolarHBondContact ND1-OD1 3.25Å; H214-D231 IonicContact ND1-OD2 2.62Å; H214-D231 PolarHBondContact ND1-OD2 2.82Å; L215-D231 PolarHBondContact N-OD1 3.37Å; L215-D231 PolarHBondContact O-N 2.77Å; D231-I233 PolarHBondContact O-N 2.8Å; D231-W434 VanDerWaalsContact CA-CH2 3.47Å; D231-W434 HydrophobicContact CB-CH2 3.58Å; D231-W434 HydrophobicContact CB-CZ2 3.57Å; D231-W434 VanDerWaalsContact OD1-CZ2 3.32Å; D231-W434 WeakPolarHBondContact OD1-CZ2 3.47Å; D231-K438 IonicContact OD2-NZ 3.24Å
232	Q	91.6	Very high	93.3	Very high	69 Å²	69	38.7 Å²	38.7	32%	0.322	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	0.2	-170.6	-51	-178.6	10.7	0	0	115.6	L215 Y229 I230 W434	L215-Q232 HydrophobicContact CD2-CG 3.86Å; Y229-Q232 WeakPolarHBondContact CD1-O 3.43Å; I230-Q232 PolarHBondContact O-N 3.45Å; I230-Q232 VanDerWaalsContact O-N 3.17Å; Q232-W434 HydrophobicContact CG-CZ3 4.06Å
233	I	91.2	Very high	93.2	Very high	72 Å²	72	38.7 Å²	38.7	37%	0.369	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.6	173.3	-56.5	175.3	0	0	0	109	Y229 I230 D231 V235	Y229-I233 CarbonylContact C-O 3.38Å; Y229-I233 WeakPolarHBondContact CA-O 3.21Å; I230-I233 PolarHBondContact N-O 2.86Å; I230-I233 WeakPolarHBondContact O-CA 3.23Å; I230-I233 WeakPolarHBondContact O-CB 3.14Å; I230-I233 PolarHBondContact O-N 2.84Å; D231-I233 PolarHBondContact O-N 2.8Å; I233-V235 PolarHBondContact O-N 2.82Å
234	K	92.9	Very high	93.2	Very high	104 Å²	104	34 Å²	34	45%	0.452	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	110.9	178.8	-165.2	-175.1	-50.9	-165.2	0	110	E227 Y229	E227-K234 WeakPolarHBondContact OE1-CE 3.25Å; E227-K234 IonicContact OE1-NZ 2.73Å; E227-K234 PolarHBondContact OE1-NZ 2.84Å; Y229-K234 HydrophobicContact CD1-CB 3.83Å; Y229-K234 HydrophobicContact CD1-CG 4.3Å; Y229-K234 HydrophobicContact CE1-CB 3.62Å; Y229-K234 HydrophobicContact CE1-CG 3.92Å; Y229-K234 WeakPolarHBondContact OH-CE 3.48Å
235	V	92.2	Very high	93.2	Very high	18 Å²	18	39 Å²	39	11%	0.109	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-25.6	-178.7	-60.5	0	0	0	0	113.2	F178 V200 P202 R228 I230 I233	F178-V235 HydrophobicContact CD1-CG2 4.07Å; F178-V235 HydrophobicContact CE1-CG2 3.8Å; V200-V235 HydrophobicContact CG1-CB 3.88Å; V200-V235 HydrophobicContact CG1-CG2 3.84Å; V200-V235 WeakPolarHBondContact CG1-O 3.32Å; P202-V235 HydrophobicContact CG-CB 4.11Å; P202-V235 HydrophobicContact CG-CG1 4.36Å; R228-V235 HydrophobicContact CB-CG2 4.09Å; R228-V235 WeakPolarHBondContact O-CG2 3.45Å; R228-V235 PolarHBondContact O-N 2.77Å; I230-V235 HydrophobicContact CB-CG1 4.04Å; I230-V235 HydrophobicContact CD1-CG1 4.08Å; I230-V235 HydrophobicContact CD1-CG2 4.23Å; I230-V235 HydrophobicContact CG1-CG1 3.93Å; I230-V235 HydrophobicContact CG1-CG2 4.02Å; I233-V235 PolarHBondContact O-N 2.82Å
236	Q	92.3	Very high	93	Very high	28 Å²	28	40.3 Å²	40.3	13%	0.131	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	149.2	173	-168.1	-177.3	47.8	0	0	110.8	K198 V200 F226 E227 R228	K198-Q236 PolarHBondContact O-NE2 2.88Å; V200-Q236 HydrophobicContact CG1-CB 3.96Å; F226-Q236 HydrophobicContact CE2-CG 4.42Å; E227-Q236 WeakPolarHBondContact CA-O 3.24Å; R228-Q236 PolarHBondContact N-O 3.35Å; R228-Q236 PolarHBondContact O-N 3.39Å
237	S	93.7	Very high	92.8	Very high	75 Å²	75	42.9 Å²	42.9	52%	0.524	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.6	164.3	51.8	0	0	0	0	108.9	F226	F226-S237 WeakPolarHBondContact O-CA 3.09Å
238	G	93.2	Very high	92.5	Very high	17 Å²	17	41.8 Å²	41.8	18%	0.175	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-169.6	-178.6	0	0	0	0	0	113.4	S225 F226 D243	S225-G238 WeakPolarHBondContact CA-O 3.26Å; F226-G238 VanDerWaalsContact CD1-C 3.47Å; F226-G238 WeakPolarHBondContact CD1-O 3.26Å; F226-G238 PolarHBondContact N-O 2.86Å; F226-G238 PolarHBondContact O-N 2.85Å; G238-D243 WeakPolarHBondContact CA-OD2 3.33Å
239	S	94.1	Very high	92.3	Very high	25 Å²	25	43.9 Å²	43.9	18%	0.175	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.2	176.9	169.4	0	0	0	0	111	N224 L241 D242 D243	N224-S239 WeakPolarHBondContact O-CA 3.3Å; S239-L241 PolarHBondContact O-N 2.93Å; S239-L241 VanDerWaalsContact O-N 3.17Å; S239-L241 PolarHBondContact OG-N 2.92Å; S239-D242 VanDerWaalsContact CB-OD2 3.27Å; S239-D242 WeakPolarHBondContact CB-OD2 3.41Å; S239-D242 PolarHBondContact O-N 3.45Å; S239-D242 PolarHBondContact OG-OD2 2.76Å; S239-D243 PolarHBondContact N-OD2 2.83Å; S239-D243 PolarHBondContact O-N 3.36Å
240	L	92.1	Very high	92	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22	174.3	-63	176.7	0	0	0	112.7	F180 F182 L220 N224 F226 F244 V248 P391 F392	F180-L240 HydrophobicContact CE1-CD2 4.07Å; F180-L240 HydrophobicContact CZ-CD2 3.86Å; F182-L240 HydrophobicContact CD1-CD2 4.17Å; F182-L240 HydrophobicContact CE1-CB 4.35Å; F182-L240 HydrophobicContact CE1-CD2 3.75Å; F182-L240 HydrophobicContact CZ-CB 4.31Å; F182-L240 HydrophobicContact CZ-CD2 4.42Å; L220-L240 HydrophobicContact CD2-CD2 4.4Å; N224-L240 HydrophobicContact CB-CB 4.25Å; N224-L240 HydrophobicContact CB-CD1 4.32Å; N224-L240 HydrophobicContact CB-CG 4.47Å; N224-L240 WeakPolarHBondContact O-CG 3.37Å; N224-L240 PolarHBondContact O-N 3.1Å; F226-L240 HydrophobicContact CB-CD2 4.49Å; F226-L240 HydrophobicContact CD1-CD2 4.14Å; L240-F244 HydrophobicContact CD2-CE2 3.79Å; L240-F244 HydrophobicContact CD2-CZ 4.02Å; L240-F244 WeakPolarHBondContact O-CD2 3.22Å; L240-V248 WeakPolarHBondContact O-CG2 3.46Å; L240-P391 HydrophobicContact CB-CG 3.93Å; L240-P391 HydrophobicContact CD1-CG 4.38Å; L240-F392 HydrophobicContact CD1-CB 4.09Å
241	L	91.1	Very high	91.8	Very high	44 Å²	44	47 Å²	47	23%	0.23	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-40.6	178.9	-66.8	172.9	0	0	0	112.6	S239 V248 P391	S239-L241 PolarHBondContact O-N 2.93Å; S239-L241 VanDerWaalsContact O-N 3.17Å; S239-L241 PolarHBondContact OG-N 2.92Å; L241-V248 HydrophobicContact CD2-CB 4.15Å; L241-V248 HydrophobicContact CD2-CG1 4.22Å; L241-P391 HydrophobicContact CD2-CG 3.75Å; L241-P391 HydrophobicContact CG-CG 4.09Å
242	D	89.9	Confident	91.7	Very high	110 Å²	110	52.6 Å²	52.6	59%	0.588	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-25.5	-165.1	-51.8	-67	0	0	0	113.7	K198 S239	K198-D242 VanDerWaalsContact CE-O 3.29Å; K198-D242 WeakPolarHBondContact CE-O 3.34Å; K198-D242 PolarHBondContact NZ-O 2.98Å; S239-D242 VanDerWaalsContact CB-OD2 3.27Å; S239-D242 WeakPolarHBondContact CB-OD2 3.41Å; S239-D242 PolarHBondContact O-N 3.45Å; S239-D242 PolarHBondContact OG-OD2 2.76Å
243	D	92.7	Very high	91.8	Very high	39 Å²	39	54.9 Å²	54.9	21%	0.209	30%	0.3	C	S	.	.	S	Bend	trans	-104.5	25.8	-171.6	-65.7	-55.7	0	0	0	114.9	A197 K198 F226 G238 S239	A197-D243 WeakPolarHBondContact CA-O 3.2Å; K198-D243 HydrophobicContact CD-CB 4.28Å; K198-D243 WeakPolarHBondContact CG-O 3.42Å; K198-D243 PolarHBondContact N-O 2.99Å; K198-D243 IonicContact NZ-OD1 2.75Å; K198-D243 PolarHBondContact NZ-OD1 3.18Å; F226-D243 HydrophobicContact CE1-CB 3.94Å; F226-D243 HydrophobicContact CZ-CB 4.03Å; G238-D243 WeakPolarHBondContact CA-OD2 3.33Å; S239-D243 PolarHBondContact N-OD2 2.83Å; S239-D243 PolarHBondContact O-N 3.36Å
244	F	93.5	Very high	91.8	Very high	7 Å²	7	54 Å²	54	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.7	-178.3	-78.3	-93.6	0	0	0	112.7	F180 F182 K195 H196 A197 F226 L240 P246	F180-F244 HydrophobicContact CD1-CE1 4.47Å; F180-F244 AromaticContact CD1-CZ 3.73Å; F180-F244 HydrophobicContact CD1-CZ 3.73Å; F180-F244 HydrophobicContact CE1-CE1 4.44Å; F180-F244 HydrophobicContact CE1-CE2 4.26Å; F180-F244 AromaticContact CE1-CZ 3.49Å; F180-F244 HydrophobicContact CE1-CZ 3.49Å; F180-F244 VanDerWaalsContact CE1-CZ 3.49Å; F180-F244 HydrophobicContact CG-CZ 4.42Å; F180-F244 AromaticContact CZ-CZ 3.94Å; F180-F244 HydrophobicContact CZ-CZ 3.94Å; F182-F244 AromaticContact CD1-CD1 3.95Å; F182-F244 HydrophobicContact CD1-CD1 3.95Å; F182-F244 AromaticContact CD1-CE1 3.44Å; F182-F244 HydrophobicContact CD1-CE1 3.44Å; F182-F244 VanDerWaalsContact CD1-CE1 3.44Å; F182-F244 HydrophobicContact CD1-CE2 4.49Å; F182-F244 AromaticContact CD1-CZ 3.77Å; F182-F244 HydrophobicContact CD1-CZ 3.77Å; F182-F244 AromaticContact CE1-CD1 3.46Å; F182-F244 HydrophobicContact CE1-CD1 3.46Å; F182-F244 VanDerWaalsContact CE1-CD1 3.46Å; F182-F244 AromaticContact CE1-CD2 3.92Å; F182-F244 HydrophobicContact CE1-CD2 3.92Å; F182-F244 AromaticContact CE1-CE1 3.32Å; F182-F244 HydrophobicContact CE1-CE1 3.32Å; F182-F244 AromaticContact CE1-CE2 3.81Å; F182-F244 HydrophobicContact CE1-CE2 3.81Å; F182-F244 AromaticContact CE1-CG 3.77Å; F182-F244 HydrophobicContact CE1-CG 3.77Å; F182-F244 AromaticContact CE1-CZ 3.51Å; F182-F244 HydrophobicContact CE1-CZ 3.51Å; F182-F244 HydrophobicContact CZ-CD1 4.35Å; F182-F244 HydrophobicContact CZ-CG 4.41Å; K195-F244 HydrophobicContact CB-CB 4.39Å; K195-F244 HydrophobicContact CB-CD1 3.86Å; K195-F244 HydrophobicContact CB-CG 4.44Å; K195-F244 WeakPolarHBondContact O-CD1 3.24Å; H196-F244 CarbonylContact O-C 3.5Å; H196-F244 VanDerWaalsContact O-CA 3.32Å; H196-F244 WeakPolarHBondContact O-CA 3.4Å; H196-F244 WeakPolarHBondContact O-CD1 3.42Å; A197-F244 HydrophobicContact CB-CD1 4.33Å; A197-F244 HydrophobicContact CB-CE1 3.68Å; A197-F244 HydrophobicContact CB-CE2 4.39Å; A197-F244 HydrophobicContact CB-CZ 3.7Å; A197-F244 VanDerWaalsContact N-CD1 3.35Å; A197-F244 VanDerWaalsContact N-CE1 3.26Å; F226-F244 AromaticContact CD1-CE2 3.99Å; F226-F244 HydrophobicContact CD1-CE2 3.99Å; F226-F244 HydrophobicContact CE1-CD2 4.39Å; F226-F244 AromaticContact CE1-CE2 3.53Å; F226-F244 HydrophobicContact CE1-CE2 3.53Å; F226-F244 HydrophobicContact CE1-CZ 4.31Å; F226-F244 HydrophobicContact CZ-CE2 4.08Å; L240-F244 HydrophobicContact CD2-CE2 3.79Å; L240-F244 HydrophobicContact CD2-CZ 4.02Å; L240-F244 WeakPolarHBondContact O-CD2 3.22Å; F244-P246 CarbonylContact C-O 3.58Å; F244-P246 CarbonylContact O-C 3.59Å
245	D	91.3	Very high	91.8	Very high	115 Å²	115	52.4 Å²	52.4	62%	0.615	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.7	174.4	-171.3	20.6	0	0	0	109.6	H196	H196-D245 WeakPolarHBondContact CB-O 3.17Å; H196-D245 PolarHBondContact N-O 2.95Å; H196-D245 PolarHBondContact O-N 2.87Å
246	P	92.1	Very high	91.8	Very high	55 Å²	55	53.5 Å²	53.5	36%	0.357	30%	0.297	S	S	.	.	S	Bend	cis	-60.4	157.9	-13.4	27.1	-33.7	0	0	0	111.5	K195 F244	K195-P246 HydrophobicContact CD-CG 4.18Å; K195-P246 WeakPolarHBondContact CD-O 3.45Å; F244-P246 CarbonylContact C-O 3.58Å; F244-P246 CarbonylContact O-C 3.59Å
247	P	91	Very high	91.8	Very high	55 Å²	55	56.9 Å²	56.9	36%	0.357	32%	0.321	S	S	.	.			trans	-61.9	155.8	176.7	26.7	-35.6	0	0	0	111.5	K195	K195-P247 PolarHBondContact NZ-O 2.82Å
248	V	89.1	Confident	91.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-57.6	-52.4	174.2	170.3	0	0	0	0	110.3	F182 L240 L241 P250 F386 E388 P391	F182-V248 HydrophobicContact CE2-CG2 3.92Å; F182-V248 HydrophobicContact CZ-CG2 3.48Å; F182-V248 VanDerWaalsContact CZ-CG2 3.48Å; L240-V248 WeakPolarHBondContact O-CG2 3.46Å; L241-V248 HydrophobicContact CD2-CB 4.15Å; L241-V248 HydrophobicContact CD2-CG1 4.22Å; V248-P250 VanDerWaalsContact O-CD 3.31Å; V248-P250 WeakPolarHBondContact O-CD 3.44Å; V248-F386 HydrophobicContact CG1-CE2 4.49Å; V248-F386 WeakPolarHBondContact O-CZ 3.19Å; V248-E388 HydrophobicContact CG1-CB 4.17Å; V248-E388 HydrophobicContact CG1-CG 4.43Å; V248-P391 HydrophobicContact CG1-CB 4.13Å; V248-P391 HydrophobicContact CG2-CB 4.3Å
249	N	90.9	Very high	91.6	Very high	44 Å²	44	61.2 Å²	61.2	24%	0.235	33%	0.33	C	S	.	.	S	Bend	trans	-84.9	111.4	178.2	-68.7	-30	0	0	0	108.5	E388	N249-E388 PolarHBondContact ND2-O 2.62Å; N249-E388 PolarHBondContact OD1-N 3.17Å; N249-E388 PolarHBondContact OD1-O 2.62Å
250	P	89.9	Confident	91.4	Very high	16 Å²	16	67.2 Å²	67.2	10%	0.104	35%	0.353	C	S	.	.			trans	-62.7	157.8	177.6	27	-35	0	0	0	110.6	V248 H384 Y385 F386	V248-P250 VanDerWaalsContact O-CD 3.31Å; V248-P250 WeakPolarHBondContact O-CD 3.44Å; P250-H384 WeakPolarHBondContact CG-O 3.22Å; P250-Y385 VanDerWaalsContact O-CD2 3.28Å; P250-Y385 WeakPolarHBondContact O-CD2 3.44Å; P250-Y385 WeakPolarHBondContact O-CE2 3.15Å; P250-F386 HydrophobicContact CG-CD1 3.74Å; P250-F386 HydrophobicContact CG-CE1 3.71Å; P250-F386 HydrophobicContact CG-CZ 4.48Å
251	P	90.7	Very high	91.4	Very high	76 Å²	76	71.2 Å²	71.2	49%	0.494	37%	0.37	S	S	.	.			trans	-62.1	146	-178.9	27.8	-36.1	0	0	0	111.3	E253 I254 N382	P251-E253 WeakPolarHBondContact CB-O 3.12Å; P251-E253 PolarHBondContact O-N 2.65Å; P251-I254 HydrophobicContact CG-CG2 4.34Å; P251-N382 VanDerWaalsContact O-CB 3.23Å; P251-N382 WeakPolarHBondContact O-CB 3.43Å; P251-N382 PolarHBondContact O-ND2 3.13Å
252	K	90.9	Very high	91.5	Very high	134 Å²	134	71.6 Å²	71.6	58%	0.583	38%	0.375	S	S	*	.	S	Bend	trans	-63	-28.1	178.3	-74.6	177.9	176.1	178.6	0	113	N382 Y385	K252-N382 WeakPolarHBondContact O-CB 3.33Å; K252-N382 PolarHBondContact O-N 3.18Å; K252-Y385 HydrophobicContact CB-CD2 4.36Å; K252-Y385 HydrophobicContact CB-CE2 4.42Å; K252-Y385 HydrophobicContact CD-CE2 4.42Å; K252-Y385 WeakPolarHBondContact CE-OH 3.38Å; K252-Y385 HydrophobicContact CG-CD1 4.49Å; K252-Y385 HydrophobicContact CG-CD2 3.78Å; K252-Y385 HydrophobicContact CG-CE1 4.13Å; K252-Y385 HydrophobicContact CG-CE2 3.39Å; K252-Y385 HydrophobicContact CG-CG 4.33Å
253	E	92.6	Very high	91.5	Very high	117 Å²	117	72.9 Å²	72.9	55%	0.547	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145	-177.7	-60.9	177.3	167.5	0	0	109.4	P251 K379 I380	P251-E253 WeakPolarHBondContact CB-O 3.12Å; P251-E253 PolarHBondContact O-N 2.65Å; E253-K379 HydrophobicContact CB-CB 4.16Å; E253-I380 CarbonylContact C-O 3.58Å; E253-I380 VanDerWaalsContact CA-O 3.23Å; E253-I380 WeakPolarHBondContact CA-O 3.19Å
254	I	92.1	Very high	91.4	Very high	53 Å²	53	76 Å²	76	27%	0.272	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	160	173.8	55.3	177.3	0	0	0	109.1	P251 K379 I380 N382	P251-I254 HydrophobicContact CG-CG2 4.34Å; I254-K379 CarbonylContact O-C 3.53Å; I254-K379 WeakPolarHBondContact O-CA 3.36Å; I254-I380 HydrophobicContact CD1-CD1 4.46Å; I254-I380 HydrophobicContact CG1-CD1 4.27Å; I254-I380 HydrophobicContact CG1-CG1 3.85Å; I254-I380 PolarHBondContact N-O 3.26Å; I254-I380 PolarHBondContact O-N 2.72Å; I254-N382 HydrophobicContact CG1-CB 4.33Å; I254-N382 HydrophobicContact CG2-CB 3.95Å
255	D	93.1	Very high	91.3	Very high	72 Å²	72	79.4 Å²	79.4	39%	0.385	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	134.5	167.6	-68.8	-68.9	0	0	0	110.3	P257 P377 K379	D255-P257 VanDerWaalsContact O-CD 3.31Å; D255-P257 WeakPolarHBondContact O-CD 3.45Å; D255-P377 HydrophobicContact CB-CB 3.91Å; D255-P377 HydrophobicContact CB-CG 4.04Å; D255-K379 WeakPolarHBondContact OD1-CE 3.3Å; D255-K379 IonicContact OD1-NZ 2.65Å; D255-K379 PolarHBondContact OD1-NZ 2.73Å; D255-K379 IonicContact OD2-NZ 2.82Å; D255-K379 PolarHBondContact OD2-NZ 2.83Å
256	D	92.3	Very high	91.3	Very high	40 Å²	40	75.1 Å²	75.1	21%	0.214	40%	0.399	C	S	.	.			trans	-68.2	113.8	176.4	-171.5	-13.5	0	0	0	109.8	E258 D259 R378 I380	D256-E258 PolarHBondContact O-N 2.84Å; D256-E258 PolarHBondContact OD1-N 2.9Å; D256-D259 HydrophobicContact CB-CB 3.82Å; D256-D259 PolarHBondContact O-N 3.16Å; D256-R378 WeakPolarHBondContact CB-O 3.48Å; D256-R378 PolarHBondContact N-O 2.9Å; D256-I380 HydrophobicContact CB-CD1 4.15Å; D256-I380 HydrophobicContact CB-CG1 4.13Å; D256-I380 HydrophobicContact CB-CG2 3.84Å
257	P	91.1	Very high	91.2	Very high	100 Å²	100	75.7 Å²	75.7	65%	0.649	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.1	-179.2	30.6	-36.1	0	0	0	113	D255	D255-P257 VanDerWaalsContact O-CD 3.31Å; D255-P257 WeakPolarHBondContact O-CD 3.45Å
258	E	90.4	Very high	91.2	Very high	149 Å²	149	80.1 Å²	80.1	70%	0.696	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-14.6	177.6	-61	-60	145.6	0	0	112.7	D256	D256-E258 PolarHBondContact O-N 2.84Å; D256-E258 PolarHBondContact OD1-N 2.9Å
259	D	91.9	Very high	91.4	Very high	33 Å²	33	85.8 Å²	85.8	18%	0.176	43%	0.433	C	S	.	.			trans	-73.9	136.4	174	-167.7	24.6	0	0	0	110.6	D256 R378	D256-D259 HydrophobicContact CB-CB 3.82Å; D256-D259 PolarHBondContact O-N 3.16Å; D259-R378 WeakPolarHBondContact OD2-CB 3.38Å; D259-R378 WeakPolarHBondContact OD2-CD 3.48Å; D259-R378 WeakPolarHBondContact OD2-CG 3.38Å; D259-R378 PolarHBondContact OD2-N 2.87Å; D259-R378 IonicContact OD2-NE 3.38Å
260	K	91.1	Very high	91.5	Very high	152 Å²	152	89.5 Å²	89.5	66%	0.661	45%	0.447	S	S	*	.			trans	-133	136.2	-172.3	-69.8	177.8	-174.9	171.2	0	109.6	P262 W375	K260-P262 VanDerWaalsContact O-CD 3.29Å; K260-P262 WeakPolarHBondContact O-CD 3.4Å; K260-P262 VanDerWaalsContact O-N 3.11Å; K260-W375 VanDerWaalsContact C-CZ2 3.42Å
261	K	91.4	Very high	91.5	Very high	85 Å²	85	90.7 Å²	90.7	37%	0.37	45%	0.452	S	S	.	.			trans	-47.9	117.7	175.7	-174.6	178.7	173.6	-165.5	0	110.5	W265 E267 W375	K261-W265 WeakPolarHBondContact CE-O 3.37Å; K261-W265 HydrophobicContact CG-CB 4.11Å; K261-E267 VanDerWaalsContact CE-OE1 3.29Å; K261-E267 WeakPolarHBondContact CE-OE1 3.23Å; K261-E267 IonicContact NZ-OE1 3.68Å; K261-E267 PolarHBondContact NZ-OE1 3.4Å; K261-E267 IonicContact NZ-OE2 3.66Å; K261-E267 PolarHBondContact NZ-OE2 3.4Å; K261-W375 VanDerWaalsContact CA-CE2 3.49Å; K261-W375 HydrophobicContact CB-CD2 3.66Å; K261-W375 HydrophobicContact CB-CE3 3.72Å; K261-W375 HydrophobicContact CB-CG 4.05Å; K261-W375 HydrophobicContact CB-CH2 4.49Å; K261-W375 HydrophobicContact CB-CZ2 4.46Å; K261-W375 HydrophobicContact CB-CZ3 4.14Å; K261-W375 HydrophobicContact CD-CB 4.08Å; K261-W375 HydrophobicContact CD-CG 4.43Å; K261-W375 HydrophobicContact CG-CB 3.91Å; K261-W375 HydrophobicContact CG-CD2 3.95Å; K261-W375 HydrophobicContact CG-CE3 4.29Å; K261-W375 HydrophobicContact CG-CG 3.77Å; K261-W375 VanDerWaalsContact N-CZ2 3.28Å
262	P	92.7	Very high	91.5	Very high	52 Å²	52	90.8 Å²	90.8	34%	0.338	45%	0.451	S	S	.	.			trans	-59.5	143.2	176	-25.7	35.8	0	0	0	111.4	K260 D264 W265	K260-P262 VanDerWaalsContact O-CD 3.29Å; K260-P262 WeakPolarHBondContact O-CD 3.4Å; K260-P262 VanDerWaalsContact O-N 3.11Å; P262-D264 WeakPolarHBondContact CB-OD1 3.4Å; P262-D264 PolarHBondContact O-N 3.31Å; P262-W265 HydrophobicContact CB-CB 4.39Å; P262-W265 VanDerWaalsContact O-CB 3.25Å; P262-W265 WeakPolarHBondContact O-CB 3.49Å; P262-W265 PolarHBondContact O-N 3.34Å
263	S	90.1	Very high	91.5	Very high	136 Å²	136	86 Å²	86	95%	0.951	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.8	-179.4	52.1	0	0	0	0	113.7	W265	S263-W265 VanDerWaalsContact C-N 3.33Å
264	D	91.2	Very high	91.3	Very high	105 Å²	105	86.6 Å²	86.6	56%	0.561	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	6.7	172.8	73.3	-56.5	0	0	0	113.3	P262 D266 K372	P262-D264 WeakPolarHBondContact CB-OD1 3.4Å; P262-D264 PolarHBondContact O-N 3.31Å; D264-D266 PolarHBondContact O-N 2.8Å; D264-K372 PolarHBondContact O-NZ 3.33Å; D264-K372 IonicContact OD2-NZ 2.67Å; D264-K372 PolarHBondContact OD2-NZ 3.5Å
265	W	91.4	Very high	91	Very high	78 Å²	78	90.2 Å²	90.2	30%	0.295	46%	0.464	S	S	.	.			trans	-90.9	101.6	-179.4	-161.3	-71.2	0	0	0	112.5	K261 P262 S263 K372 G373 W375	K261-W265 WeakPolarHBondContact CE-O 3.37Å; K261-W265 HydrophobicContact CG-CB 4.11Å; P262-W265 HydrophobicContact CB-CB 4.39Å; P262-W265 VanDerWaalsContact O-CB 3.25Å; P262-W265 WeakPolarHBondContact O-CB 3.49Å; P262-W265 PolarHBondContact O-N 3.34Å; S263-W265 VanDerWaalsContact C-N 3.33Å; W265-K372 HydrophobicContact CD2-CB 3.86Å; W265-K372 HydrophobicContact CD2-CD 3.9Å; W265-K372 VanDerWaalsContact CE2-CB 3.45Å; W265-K372 HydrophobicContact CE3-CB 4.35Å; W265-K372 HydrophobicContact CE3-CD 3.83Å; W265-K372 HydrophobicContact CG-CB 4.33Å; W265-K372 HydrophobicContact CG-CD 4.3Å; W265-K372 HydrophobicContact CH2-CB 4.18Å; W265-K372 HydrophobicContact CZ2-CB 3.66Å; W265-K372 VanDerWaalsContact CZ2-O 3.22Å; W265-K372 WeakPolarHBondContact CZ2-O 3.46Å; W265-K372 HydrophobicContact CZ3-CB 4.5Å; W265-K372 HydrophobicContact CZ3-CD 4.25Å; W265-G373 PolarHBondContact NE1-O 2.96Å; W265-W375 HydrophobicContact CD2-CB 4.33Å; W265-W375 AromaticContact CD2-CD1 3.85Å; W265-W375 HydrophobicContact CD2-CG 4.48Å; W265-W375 HydrophobicContact CG-CB 4.16Å
266	D	90.8	Very high	90.8	Very high	25 Å²	25	88 Å²	88	13%	0.134	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-90.8	119	178.7	-156.4	-17.2	0	0	0	111.7	D264 R268 N368 N370 Y371 K372	D264-D266 PolarHBondContact O-N 2.8Å; D266-R268 VanDerWaalsContact OD1-CB 3.31Å; D266-R268 WeakPolarHBondContact OD1-CB 3.43Å; D266-R268 WeakPolarHBondContact OD1-CG 3.48Å; D266-R268 IonicContact OD1-CZ 2.65Å; D266-R268 PolarHBondContact OD1-N 2.81Å; D266-R268 IonicContact OD1-NE 2.71Å; D266-R268 PolarHBondContact OD1-NE 2.9Å; D266-R268 IonicContact OD1-NH2 3.08Å; D266-R268 IonicContact OD2-CZ 3.35Å; D266-R268 IonicContact OD2-NE 2.69Å; D266-R268 PolarHBondContact OD2-NE 2.77Å; D266-R268 IonicContact OD2-NH2 2.77Å; D266-R268 PolarHBondContact OD2-NH2 2.93Å; D266-N368 PolarHBondContact OD1-ND2 3.14Å; D266-N368 PolarHBondContact OD2-ND2 3.22Å; D266-N370 HydrophobicContact CB-CB 4.34Å; D266-Y371 WeakPolarHBondContact O-CA 3.49Å; D266-K372 PolarHBondContact O-N 3.29Å
267	E	91.6	Very high	90.5	Very high	67 Å²	67	94.8 Å²	94.8	31%	0.313	48%	0.483	S	S	.	.			trans	-100.9	0.5	178.4	-61.4	174.8	158.4	0	0	112	K261 E269 Y371 W375	K261-E267 VanDerWaalsContact CE-OE1 3.29Å; K261-E267 WeakPolarHBondContact CE-OE1 3.23Å; K261-E267 IonicContact NZ-OE1 3.68Å; K261-E267 PolarHBondContact NZ-OE1 3.4Å; K261-E267 IonicContact NZ-OE2 3.66Å; K261-E267 PolarHBondContact NZ-OE2 3.4Å; E267-E269 PolarHBondContact O-N 3Å; E267-Y371 VanDerWaalsContact O-CE2 3.26Å; E267-Y371 WeakPolarHBondContact O-CE2 3.15Å; E267-W375 WeakPolarHBondContact OE1-CB 3.37Å; E267-W375 PolarHBondContact OE1-N 3.09Å
268	R	90.9	Very high	90.4	Very high	149 Å²	149	93.8 Å²	93.8	56%	0.562	47%	0.469	S	S	*	.			trans	-77.6	106.9	178.1	-60.2	171.3	-64.3	175.7	5	108.2	D266 K270 I271 N368	D266-R268 VanDerWaalsContact OD1-CB 3.31Å; D266-R268 WeakPolarHBondContact OD1-CB 3.43Å; D266-R268 WeakPolarHBondContact OD1-CG 3.48Å; D266-R268 IonicContact OD1-CZ 2.65Å; D266-R268 PolarHBondContact OD1-N 2.81Å; D266-R268 IonicContact OD1-NE 2.71Å; D266-R268 PolarHBondContact OD1-NE 2.9Å; D266-R268 IonicContact OD1-NH2 3.08Å; D266-R268 IonicContact OD2-CZ 3.35Å; D266-R268 IonicContact OD2-NE 2.69Å; D266-R268 PolarHBondContact OD2-NE 2.77Å; D266-R268 IonicContact OD2-NH2 2.77Å; D266-R268 PolarHBondContact OD2-NH2 2.93Å; R268-K270 PolarHBondContact O-N 3.37Å; R268-I271 HydrophobicContact CB-CG2 4.39Å; R268-N368 WeakPolarHBondContact O-CB 3.48Å; R268-N368 PolarHBondContact O-ND2 3.18Å
269	E	92	Very high	90.2	Very high	118 Å²	118	89.3 Å²	89.3	55%	0.551	45%	0.452	S	S	*	.	S	Bend	trans	-57.1	-33.4	174.5	-70.7	175.4	-168.4	0	0	112.5	E267 N368 Y371	E267-E269 PolarHBondContact O-N 3Å; E269-N368 PolarHBondContact O-N 2.95Å; E269-Y371 HydrophobicContact CB-CE2 4.37Å; E269-Y371 HydrophobicContact CG-CD2 4.08Å; E269-Y371 HydrophobicContact CG-CE1 4.07Å; E269-Y371 HydrophobicContact CG-CE2 3.48Å; E269-Y371 VanDerWaalsContact CG-CE2 3.48Å; E269-Y371 VanDerWaalsContact CG-CZ 3.45Å; E269-Y371 PolarHBondContact OE1-OH 3.33Å
270	K	93.1	Very high	89.9	Confident	123 Å²	123	96.2 Å²	96.2	54%	0.535	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.8	-179.6	-57.6	177.6	-173.4	172.3	0	110.6	R268 M365 I366	R268-K270 PolarHBondContact O-N 3.37Å; K270-M365 HydrophobicContact CB-CB 4.19Å; K270-M365 HydrophobicContact CB-CE 3.94Å; K270-M365 HydrophobicContact CD-CB 4.44Å; K270-M365 WeakPolarHBondContact O-CE 3.28Å; K270-I366 CarbonylContact C-O 3.53Å; K270-I366 WeakPolarHBondContact CA-O 3.45Å
271	I	90.5	Very high	89.6	Confident	41 Å²	41	94.4 Å²	94.4	21%	0.21	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	158.1	173.5	55.2	175	0	0	0	109.8	R268 M365 I366 N368	R268-I271 HydrophobicContact CB-CG2 4.39Å; I271-M365 CarbonylContact O-C 3.53Å; I271-M365 WeakPolarHBondContact O-CA 3.38Å; I271-I366 HydrophobicContact CG1-CD1 4.43Å; I271-I366 HydrophobicContact CG1-CG1 3.97Å; I271-I366 PolarHBondContact N-O 3.4Å; I271-I366 WeakPolarHBondContact O-CG1 3.29Å; I271-I366 PolarHBondContact O-N 3.04Å; I271-N368 HydrophobicContact CD1-CB 4.43Å; I271-N368 HydrophobicContact CG1-CB 4.13Å; I271-N368 HydrophobicContact CG2-CB 3.92Å
272	V	90.8	Very high	89.4	Confident	78 Å²	78	93.5 Å²	93.5	47%	0.473	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	131.4	172.4	-177.3	0	0	0	0	109.1	T274 A363 M365	V272-T274 PolarHBondContact O-N 3.16Å; V272-T274 VanDerWaalsContact O-N 3.12Å; V272-A363 HydrophobicContact CG1-CB 3.37Å; V272-M365 HydrophobicContact CB-SD 4.38Å; V272-M365 HydrophobicContact CG2-SD 3.66Å
273	D	90.9	Very high	89	Confident	32 Å²	32	95 Å²	95	17%	0.171	49%	0.486	C	S	.	.			trans	-68.2	108.4	173.3	-176.7	8.3	0	0	0	110.6	N275 A276 P364 I366	D273-N275 PolarHBondContact O-N 3.44Å; D273-N275 WeakPolarHBondContact OD1-CB 3.35Å; D273-N275 PolarHBondContact OD1-N 2.91Å; D273-N275 PolarHBondContact OD1-ND2 2.64Å; D273-N275 VanDerWaalsContact OD1-ND2 3.11Å; D273-A276 HydrophobicContact CB-CB 4.02Å; D273-A276 WeakPolarHBondContact O-CB 3.42Å; D273-A276 PolarHBondContact O-N 3.02Å; D273-P364 HydrophobicContact CB-CG 4.17Å; D273-P364 PolarHBondContact N-O 2.93Å; D273-I366 HydrophobicContact CB-CD1 3.98Å; D273-I366 HydrophobicContact CB-CG1 4.08Å; D273-I366 HydrophobicContact CB-CG2 3.9Å
274	T	87.4	Confident	88.8	Confident	130 Å²	130	91.8 Å²	91.8	80%	0.798	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.1	178.5	54.1	0	0	0	0	113.5	V272	V272-T274 PolarHBondContact O-N 3.16Å; V272-T274 VanDerWaalsContact O-N 3.12Å
275	N	86.7	Confident	88.6	Confident	130 Å²	130	93.8 Å²	93.8	70%	0.695	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-20.7	175.4	-53	-76.1	0	0	0	112.3	D273 K277	D273-N275 PolarHBondContact O-N 3.44Å; D273-N275 WeakPolarHBondContact OD1-CB 3.35Å; D273-N275 PolarHBondContact OD1-N 2.91Å; D273-N275 PolarHBondContact OD1-ND2 2.64Å; D273-N275 VanDerWaalsContact OD1-ND2 3.11Å; N275-K277 PolarHBondContact O-N 2.89Å
276	A	87.8	Confident	88.2	Confident	26 Å²	26	90.5 Å²	90.5	22%	0.215	46%	0.457	C	S	.	.			trans	-63.2	130.8	174.9	0	0	0	0	0	109.7	D273 W361 A363 P364	D273-A276 HydrophobicContact CB-CB 4.02Å; D273-A276 WeakPolarHBondContact O-CB 3.42Å; D273-A276 PolarHBondContact O-N 3.02Å; A276-W361 HydrophobicContact CB-CH2 3.9Å; A276-W361 HydrophobicContact CB-CZ2 4.09Å; A276-W361 WeakPolarHBondContact O-CH2 3.2Å; A276-A363 HydrophobicContact CB-CB 4.07Å; A276-P364 HydrophobicContact CB-CG 4.03Å
277	K	86.8	Confident	88.1	Confident	181 Å²	181	92.8 Å²	92.8	79%	0.787	47%	0.473	S	S	*	.			trans	-112	141.4	173.8	-66.1	-177.4	-178.7	179.9	0	109	N275 P279 W361	N275-K277 PolarHBondContact O-N 2.89Å; K277-P279 WeakPolarHBondContact O-CD 3.32Å; K277-W361 VanDerWaalsContact C-CH2 3.46Å; K277-W361 WeakPolarHBondContact O-CZ2 3.27Å
278	K	88	Confident	87.9	Confident	80 Å²	80	91.8 Å²	91.8	35%	0.348	48%	0.476	S	S	.	.			trans	-52.1	123.2	168.6	-179.1	-179	169.8	-168	0	109.4	W282 E284 W361	K278-W282 WeakPolarHBondContact CE-O 3.41Å; K278-W282 HydrophobicContact CG-CB 4.22Å; K278-W282 PolarHBondContact NZ-O 3.39Å; K278-E284 WeakPolarHBondContact CE-OE2 3.48Å; K278-E284 IonicContact NZ-OE2 2.91Å; K278-E284 PolarHBondContact NZ-OE2 2.94Å; K278-W361 HydrophobicContact CB-CD2 3.8Å; K278-W361 HydrophobicContact CB-CE3 3.7Å; K278-W361 HydrophobicContact CB-CG 4.19Å; K278-W361 HydrophobicContact CB-CZ3 4.14Å; K278-W361 HydrophobicContact CD-CB 4.27Å; K278-W361 HydrophobicContact CG-CB 3.94Å; K278-W361 HydrophobicContact CG-CD2 4.1Å; K278-W361 HydrophobicContact CG-CE3 4.32Å; K278-W361 HydrophobicContact CG-CG 3.93Å
279	P	87.9	Confident	87.9	Confident	54 Å²	54	88.2 Å²	88.2	35%	0.351	47%	0.471	S	S	.	.			trans	-60.6	143.7	175.6	-26.1	36.1	0	0	0	112.2	K277 D281 W282	K277-P279 WeakPolarHBondContact O-CD 3.32Å; P279-D281 VanDerWaalsContact CB-OD1 3.29Å; P279-D281 WeakPolarHBondContact CB-OD1 3.37Å; P279-D281 PolarHBondContact O-N 3.01Å; P279-D281 VanDerWaalsContact O-N 3.14Å; P279-W282 HydrophobicContact CB-CB 4.48Å; P279-W282 WeakPolarHBondContact O-CB 3.14Å; P279-W282 PolarHBondContact O-N 3.02Å
280	D	85.4	Confident	87.8	Confident	178 Å²	178	85.5 Å²	85.5	95%	0.952	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.8	178.8	-62	-38.9	0	0	0	112.9	W282	D280-W282 VanDerWaalsContact C-N 3.31Å
281	D	85	Confident	87.7	Confident	114 Å²	114	85.1 Å²	85.1	61%	0.61	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	7.3	177.5	86.8	-32.9	0	0	0	113.6	P279 K358	P279-D281 VanDerWaalsContact CB-OD1 3.29Å; P279-D281 WeakPolarHBondContact CB-OD1 3.37Å; P279-D281 PolarHBondContact O-N 3.01Å; P279-D281 VanDerWaalsContact O-N 3.14Å; D281-K358 PolarHBondContact O-NZ 2.85Å; D281-K358 IonicContact OD1-NZ 3.45Å; D281-K358 PolarHBondContact OD1-NZ 2.9Å; D281-K358 VanDerWaalsContact OD1-NZ 3.08Å; D281-K358 IonicContact OD2-NZ 2.85Å; D281-K358 PolarHBondContact OD2-NZ 2.99Å
282	W	87.3	Confident	87.6	Confident	66 Å²	66	84.8 Å²	84.8	25%	0.25	46%	0.458	C	S	.	.			trans	-101.7	88.5	-178.6	-160.6	-61.6	0	0	0	111.8	K278 P279 D280 E284 K358 G359 W361	K278-W282 WeakPolarHBondContact CE-O 3.41Å; K278-W282 HydrophobicContact CG-CB 4.22Å; K278-W282 PolarHBondContact NZ-O 3.39Å; P279-W282 HydrophobicContact CB-CB 4.48Å; P279-W282 WeakPolarHBondContact O-CB 3.14Å; P279-W282 PolarHBondContact O-N 3.02Å; D280-W282 VanDerWaalsContact C-N 3.31Å; W282-E284 PolarHBondContact O-N 2.96Å; W282-K358 HydrophobicContact CB-CD 4.47Å; W282-K358 HydrophobicContact CD2-CB 3.79Å; W282-K358 HydrophobicContact CD2-CD 3.7Å; W282-K358 HydrophobicContact CD2-CG 4.42Å; W282-K358 VanDerWaalsContact CE2-CB 3.42Å; W282-K358 HydrophobicContact CE3-CB 4.26Å; W282-K358 HydrophobicContact CE3-CD 3.64Å; W282-K358 HydrophobicContact CG-CB 4.3Å; W282-K358 HydrophobicContact CG-CD 4.07Å; W282-K358 HydrophobicContact CH2-CB 4.11Å; W282-K358 HydrophobicContact CZ2-CB 3.64Å; W282-K358 WeakPolarHBondContact CZ2-O 3.48Å; W282-K358 HydrophobicContact CZ3-CB 4.39Å; W282-K358 HydrophobicContact CZ3-CD 4.14Å; W282-G359 PolarHBondContact NE1-O 3.43Å; W282-W361 HydrophobicContact CD2-CB 4.08Å; W282-W361 AromaticContact CD2-CD1 3.7Å; W282-W361 HydrophobicContact CD2-CG 4.26Å; W282-W361 AromaticContact CE2-CD1 3.93Å; W282-W361 AromaticContact CE3-CD1 3.71Å; W282-W361 HydrophobicContact CG-CB 4.09Å; W282-W361 HydrophobicContact CG-CG 4.5Å; W282-W361 HydrophobicContact CZ2-CB 4.33Å; W282-W361 AromaticContact CZ3-CD1 3.97Å
283	D	84.6	Confident	87.5	Confident	83 Å²	83	89.6 Å²	89.6	44%	0.444	48%	0.475	S	S	.	.			trans	-78.9	115.3	172.2	-172.7	9.1	0	0	0	111.1	N285 A286	D283-N285 WeakPolarHBondContact OD1-CB 3.47Å; D283-N285 PolarHBondContact OD1-N 2.99Å; D283-A286 HydrophobicContact CB-CB 4.22Å; D283-A286 PolarHBondContact OD1-N 2.73Å; D283-A286 PolarHBondContact OD2-N 3.48Å
284	E	85.3	Confident	87.3	Confident	69 Å²	69	92.6 Å²	92.6	32%	0.322	50%	0.499	S	S	.	.	S	Bend	trans	-89.6	-13.4	176.7	-64.3	176.4	130	0	0	112.6	K278 W282 W361	K278-E284 WeakPolarHBondContact CE-OE2 3.48Å; K278-E284 IonicContact NZ-OE2 2.91Å; K278-E284 PolarHBondContact NZ-OE2 2.94Å; W282-E284 PolarHBondContact O-N 2.96Å; E284-W361 PolarHBondContact OE1-N 3.4Å
285	N	85.6	Confident	87.2	Confident	147 Å²	147	87.1 Å²	87.1	79%	0.786	47%	0.467	S	S	*	.	S	Bend	trans	-90.9	-10	177.1	-57.5	-55.7	0	0	0	111.9	D283	D283-N285 WeakPolarHBondContact OD1-CB 3.47Å; D283-N285 PolarHBondContact OD1-N 2.99Å
286	A	84.4	Confident	87.2	Confident	10 Å²	10	87 Å²	87	8%	0.083	47%	0.471	C	S	.	.	S	Bend	trans	-53.9	126.1	168.3	0	0	0	0	0	109	D283 Y357	D283-A286 HydrophobicContact CB-CB 4.22Å; D283-A286 PolarHBondContact OD1-N 2.73Å; D283-A286 PolarHBondContact OD2-N 3.48Å; A286-Y357 WeakPolarHBondContact O-CD2 3.49Å; A286-Y357 WeakPolarHBondContact O-CE2 3.4Å
287	P	88.6	Confident	87.2	Confident	72 Å²	72	89.4 Å²	89.4	47%	0.468	48%	0.476	S	S	.	.			trans	-70.6	148.8	176.2	30.6	-35.7	0	0	0	109.6	T289 I290 N354	P287-T289 WeakPolarHBondContact CB-O 3.41Å; P287-T289 WeakPolarHBondContact CG-O 3.5Å; P287-T289 PolarHBondContact O-N 3.03Å; P287-I290 HydrophobicContact CG-CG2 3.98Å; P287-N354 WeakPolarHBondContact O-CB 3.16Å; P287-N354 PolarHBondContact O-ND2 2.79Å
288	A	88	Confident	87.3	Confident	47 Å²	47	83.5 Å²	83.5	39%	0.388	46%	0.457	S	S	.	.	S	Bend	trans	-61.8	-25.5	176.8	0	0	0	0	0	112.9	N354 Y357	A288-N354 PolarHBondContact O-N 3.46Å; A288-Y357 HydrophobicContact CB-CD1 3.91Å; A288-Y357 HydrophobicContact CB-CD2 4.23Å; A288-Y357 HydrophobicContact CB-CE1 3.74Å; A288-Y357 HydrophobicContact CB-CE2 4.07Å; A288-Y357 HydrophobicContact CB-CG 4.13Å
289	T	90.8	Very high	87.1	Confident	73 Å²	73	85.3 Å²	85.3	45%	0.448	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.8	-176.2	59.2	0	0	0	0	110	P287 I352	P287-T289 WeakPolarHBondContact CB-O 3.41Å; P287-T289 WeakPolarHBondContact CG-O 3.5Å; P287-T289 PolarHBondContact O-N 3.03Å; T289-I352 CarbonylContact C-O 3.39Å; T289-I352 WeakPolarHBondContact CA-O 3.37Å
290	I	89.8	Confident	86.9	Confident	61 Å²	61	85.1 Å²	85.1	31%	0.313	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.1	179.1	52.8	179	0	0	0	109.5	P287 I351 I352 N354	P287-I290 HydrophobicContact CG-CG2 3.98Å; I290-I351 CarbonylContact O-C 3.51Å; I290-I351 WeakPolarHBondContact O-CA 3.38Å; I290-I351 VanDerWaalsContact O-CG2 3.29Å; I290-I351 WeakPolarHBondContact O-CG2 3.48Å; I290-I352 HydrophobicContact CG1-CD1 4.35Å; I290-I352 HydrophobicContact CG1-CG1 3.86Å; I290-I352 PolarHBondContact N-O 3.47Å; I290-I352 WeakPolarHBondContact O-CG1 3.29Å; I290-I352 PolarHBondContact O-N 3.47Å; I290-N354 HydrophobicContact CD1-CB 4.37Å; I290-N354 HydrophobicContact CG1-CB 4.21Å; I290-N354 HydrophobicContact CG2-CB 3.99Å
291	E	89.2	Confident	87.1	Confident	115 Å²	115	79.5 Å²	79.5	54%	0.537	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	137.2	173.3	-67	-171.3	-174.2	0	0	110.8	E293 R349	E291-E293 PolarHBondContact O-N 3.38Å; E291-E293 VanDerWaalsContact O-N 3.11Å; E291-R349 HydrophobicContact CB-CB 3.95Å; E291-R349 HydrophobicContact CG-CB 4.22Å; E291-R349 WeakPolarHBondContact OE2-CD 3.38Å; E291-R349 IonicContact OE2-NE 3.57Å
292	D	90.3	Very high	87.2	Confident	35 Å²	35	77.1 Å²	77.1	19%	0.187	44%	0.44	C	S	.	.			trans	-74.8	98.5	173.6	-175.2	0.5	0	0	0	110.5	S294 A295 P350 I352	D292-S294 PolarHBondContact O-N 2.83Å; D292-S294 WeakPolarHBondContact OD1-CA 3.43Å; D292-S294 VanDerWaalsContact OD1-CB 3.29Å; D292-S294 WeakPolarHBondContact OD1-CB 3.23Å; D292-S294 PolarHBondContact OD1-N 2.7Å; D292-S294 PolarHBondContact OD1-OG 2.91Å; D292-S294 PolarHBondContact OD2-OG 2.66Å; D292-A295 HydrophobicContact CB-CB 3.95Å; D292-A295 WeakPolarHBondContact O-CB 3.48Å; D292-A295 PolarHBondContact O-N 2.73Å; D292-A295 VanDerWaalsContact O-N 3.13Å; D292-A295 PolarHBondContact OD1-N 2.84Å; D292-P350 HydrophobicContact CB-CB 4.49Å; D292-P350 WeakPolarHBondContact CB-O 3.16Å; D292-P350 PolarHBondContact N-O 2.81Å; D292-I352 HydrophobicContact CB-CD1 4.2Å; D292-I352 HydrophobicContact CB-CG1 4.23Å; D292-I352 HydrophobicContact CB-CG2 3.95Å
293	E	87.2	Confident	87.1	Confident	178 Å²	178	77.6 Å²	77.6	83%	0.832	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.9	175	-65.1	-171.2	170.4	0	0	112.9	E291	E291-E293 PolarHBondContact O-N 3.38Å; E291-E293 VanDerWaalsContact O-N 3.11Å
294	S	86.3	Confident	87.1	Confident	96 Å²	96	81.5 Å²	81.5	67%	0.671	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.6	177.2	81.3	0	0	0	0	113.2	D292 V296	D292-S294 PolarHBondContact O-N 2.83Å; D292-S294 WeakPolarHBondContact OD1-CA 3.43Å; D292-S294 VanDerWaalsContact OD1-CB 3.29Å; D292-S294 WeakPolarHBondContact OD1-CB 3.23Å; D292-S294 PolarHBondContact OD1-N 2.7Å; D292-S294 PolarHBondContact OD1-OG 2.91Å; D292-S294 PolarHBondContact OD2-OG 2.66Å; S294-V296 PolarHBondContact O-N 2.87Å
295	A	86.7	Confident	87.1	Confident	15 Å²	15	81 Å²	81	12%	0.124	47%	0.465	C	S	.	.			trans	-71.4	125	178.1	0	0	0	0	0	111.7	D292 R349 P350	D292-A295 HydrophobicContact CB-CB 3.95Å; D292-A295 WeakPolarHBondContact O-CB 3.48Å; D292-A295 PolarHBondContact O-N 2.73Å; D292-A295 VanDerWaalsContact O-N 3.13Å; D292-A295 PolarHBondContact OD1-N 2.84Å; A295-R349 PolarHBondContact O-NH1 3.38Å; A295-P350 HydrophobicContact CB-CG 3.9Å
296	V	86.8	Confident	87.2	Confident	128 Å²	128	77.1 Å²	77.1	78%	0.776	45%	0.449	S	S	*	.			trans	-104.2	135.9	175.4	-176.9	0	0	0	0	109.3	S294	S294-V296 PolarHBondContact O-N 2.87Å
297	K	88	Confident	87.2	Confident	75 Å²	75	83.1 Å²	83.1	33%	0.326	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-59.6	128.7	177.2	-179.4	173.4	168.5	-176	0	111.5	W301 D303 W347	K297-W301 HydrophobicContact CG-CB 4.35Å; K297-D303 IonicContact NZ-OD1 3.89Å; K297-D303 PolarHBondContact NZ-OD1 3.37Å; K297-D303 IonicContact NZ-OD2 3.37Å; K297-D303 PolarHBondContact NZ-OD2 3.17Å; K297-W347 HydrophobicContact CB-CD2 3.7Å; K297-W347 HydrophobicContact CB-CE3 3.78Å; K297-W347 HydrophobicContact CB-CG 4.27Å; K297-W347 HydrophobicContact CB-CH2 4.04Å; K297-W347 HydrophobicContact CB-CZ2 4.01Å; K297-W347 HydrophobicContact CB-CZ3 3.95Å; K297-W347 HydrophobicContact CD-CB 3.79Å; K297-W347 HydrophobicContact CD-CD2 3.97Å; K297-W347 HydrophobicContact CD-CE3 4.08Å; K297-W347 HydrophobicContact CD-CG 3.86Å; K297-W347 HydrophobicContact CG-CB 4.17Å; K297-W347 HydrophobicContact CG-CD2 3.7Å; K297-W347 HydrophobicContact CG-CE3 4.12Å; K297-W347 HydrophobicContact CG-CG 3.72Å
298	P	87.2	Confident	87.2	Confident	58 Å²	58	82.6 Å²	82.6	38%	0.377	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-59.3	139.7	178.1	-25.8	35	0	0	0	113.5	G300 W301 P342	P298-G300 PolarHBondContact O-N 3.43Å; P298-W301 HydrophobicContact CG-CE3 4.34Å; P298-W301 PolarHBondContact O-N 2.88Å; P298-P342 HydrophobicContact CB-CB 3.85Å; P298-P342 HydrophobicContact CB-CG 4.36Å
299	S	84	Confident	87.2	Confident	117 Å²	117	82.5 Å²	82.5	82%	0.818	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	120.9	173.2	55.8	0	0	0	0	110.9
300	G	85.3	Confident	87.2	Confident	50 Å²	50	83.1 Å²	83.1	52%	0.515	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.8	1.9	-179.6	0	0	0	0	0	115.3	P298 P342	P298-G300 PolarHBondContact O-N 3.43Å; G300-P342 WeakPolarHBondContact O-CD 3.37Å
301	W	88.3	Confident	87.2	Confident	61 Å²	61	82.5 Å²	82.5	23%	0.231	46%	0.462	C	S	.	.			trans	-59.7	133.8	172.3	-168.2	-76.3	0	0	0	111.9	K297 P298 C344 G345 W347	K297-W301 HydrophobicContact CG-CB 4.35Å; P298-W301 HydrophobicContact CG-CE3 4.34Å; P298-W301 PolarHBondContact O-N 2.88Å; W301-C344 WeakPolarHBondContact CZ2-O 3.18Å; W301-C344 PolarHBondContact NE1-O 2.82Å; W301-G345 PolarHBondContact NE1-O 2.78Å; W301-W347 HydrophobicContact CD2-CB 4.25Å; W301-W347 AromaticContact CD2-CD1 3.74Å; W301-W347 HydrophobicContact CD2-CG 4.34Å; W301-W347 AromaticContact CE2-CD1 3.78Å; W301-W347 AromaticContact CE3-CD1 3.73Å; W301-W347 HydrophobicContact CG-CB 4.35Å; W301-W347 AromaticContact CH2-CD1 3.85Å; W301-W347 HydrophobicContact CZ2-CB 4.38Å; W301-W347 AromaticContact CZ2-CD1 3.85Å; W301-W347 AromaticContact CZ3-CD1 3.79Å
302	L	87.5	Confident	87.1	Confident	64 Å²	64	82.7 Å²	82.7	34%	0.335	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-98.3	88.8	-174.7	-60	177.1	0	0	0	111.6	D304 E305 A341 G343 C344 G345	L302-D304 PolarHBondContact O-N 2.9Å; L302-E305 HydrophobicContact CB-CB 4.1Å; L302-E305 HydrophobicContact CB-CG 4.27Å; L302-E305 HydrophobicContact CD1-CG 4.36Å; L302-A341 HydrophobicContact CD1-CB 3.64Å; L302-A341 HydrophobicContact CG-CB 3.81Å; L302-G343 PolarHBondContact N-O 2.82Å; L302-C344 CarbonylContact O-C 3.52Å; L302-C344 WeakPolarHBondContact O-CA 3.21Å; L302-G345 PolarHBondContact O-N 3.43Å
303	D	85.1	Confident	87	Confident	75 Å²	75	84.9 Å²	84.9	40%	0.401	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-37.8	-176	-63.5	-76.5	0	0	0	114.7	K297 G345	K297-D303 IonicContact NZ-OD1 3.89Å; K297-D303 PolarHBondContact NZ-OD1 3.37Å; K297-D303 IonicContact NZ-OD2 3.37Å; K297-D303 PolarHBondContact NZ-OD2 3.17Å; D303-G345 WeakPolarHBondContact CA-O 3.39Å; D303-G345 CarbonylContact O-C 3.56Å
304	D	85.6	Confident	87	Confident	165 Å²	165	77.7 Å²	77.7	88%	0.882	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.7	-172.4	-59.9	-50.4	0	0	0	113.4	L302	L302-D304 PolarHBondContact O-N 2.9Å
305	E	84.3	Confident	87.1	Confident	58 Å²	58	78.7 Å²	78.7	27%	0.271	47%	0.469	S	S	.	.	S	Bend	trans	-92.5	126.1	178.6	-69.5	-70.2	167.2	0	0	109.7	L302 N335 K337 G345	L302-E305 HydrophobicContact CB-CB 4.1Å; L302-E305 HydrophobicContact CB-CG 4.27Å; L302-E305 HydrophobicContact CD1-CG 4.36Å; E305-N335 PolarHBondContact OE2-ND2 2.85Å; E305-K337 HydrophobicContact CG-CD 4.14Å; E305-K337 IonicContact OE1-NZ 3.76Å; E305-K337 PolarHBondContact OE1-NZ 3.16Å; E305-K337 WeakPolarHBondContact OE2-CD 3.1Å; E305-K337 IonicContact OE2-NZ 2.66Å; E305-K337 PolarHBondContact OE2-NZ 2.64Å; E305-G345 VanDerWaalsContact O-CA 3.32Å; E305-G345 WeakPolarHBondContact O-CA 3.37Å; E305-G345 PolarHBondContact O-N 2.94Å
306	P	86.9	Confident	87.3	Confident	67 Å²	67	80.6 Å²	80.6	44%	0.435	48%	0.48	S	S	.	.			trans	-67	142.2	177	29.9	-35.5	0	0	0	110.3	M308 I309 N335	P306-M308 VanDerWaalsContact C-N 3.26Å; P306-M308 PolarHBondContact O-N 3.2Å; P306-I309 HydrophobicContact CG-CG2 3.84Å; P306-N335 WeakPolarHBondContact O-CB 3.3Å; P306-N335 PolarHBondContact O-ND2 3.12Å
307	E	85	Confident	87.5	Confident	135 Å²	135	77.4 Å²	77.4	63%	0.631	46%	0.462	S	S	*	.	S	Bend	trans	-60	-39.2	175.4	-177.5	175	-159.4	0	0	111.7	N335 C344	E307-N335 WeakPolarHBondContact O-CB 3.41Å; E307-N335 PolarHBondContact O-N 2.86Å; E307-C344 HydrophobicContact CB-CB 4.5Å
308	M	88.8	Confident	87.6	Confident	61 Å²	61	84.4 Å²	84.4	30%	0.3	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.8	180	-58.1	-61.2	-80.4	0	0	110.9	P306 Q332 I333 N334	P306-M308 VanDerWaalsContact C-N 3.26Å; P306-M308 PolarHBondContact O-N 3.2Å; M308-Q332 HydrophobicContact CB-CB 4.12Å; M308-Q332 HydrophobicContact CB-CG 4.5Å; M308-Q332 HydrophobicContact CE-CB 4.02Å; M308-Q332 WeakPolarHBondContact CE-O 3.45Å; M308-I333 CarbonylContact C-O 3.55Å; M308-I333 WeakPolarHBondContact CA-O 3.25Å; M308-N334 HydrophobicContact SD-CB 4.48Å; M308-N334 PolarHBondContact SD-OD1 2.67Å
309	I	88.8	Confident	87.8	Confident	46 Å²	46	88.3 Å²	88.3	24%	0.236	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	151.2	171.1	57.9	177.7	0	0	0	110.3	P306 D311 Q332 I333 N335	P306-I309 HydrophobicContact CG-CG2 3.84Å; I309-D311 PolarHBondContact O-N 3.36Å; I309-Q332 WeakPolarHBondContact O-CA 3.42Å; I309-I333 HydrophobicContact CG1-CD1 4.35Å; I309-I333 HydrophobicContact CG1-CG1 3.86Å; I309-I333 PolarHBondContact N-O 2.91Å; I309-I333 WeakPolarHBondContact O-CG1 3.38Å; I309-I333 PolarHBondContact O-N 2.72Å; I309-N335 HydrophobicContact CG1-CB 4.34Å; I309-N335 HydrophobicContact CG2-CB 4.01Å
310	P	89.9	Confident	88.2	Confident	86 Å²	86	87.4 Å²	87.4	56%	0.558	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	135.5	168	-18.3	31.4	0	0	0	110.3	P312 A330	P310-P312 VanDerWaalsContact O-CD 3.31Å; P310-P312 WeakPolarHBondContact O-CD 3.4Å; P310-A330 HydrophobicContact CB-CB 4.09Å
311	D	90.8	Very high	88.4	Confident	48 Å²	48	88.6 Å²	88.6	26%	0.257	48%	0.483	S	S	.	.			trans	-62.1	115.5	178.9	-178.6	0.1	0	0	0	111.1	I309 A313 A314 P331 I333	I309-D311 PolarHBondContact O-N 3.36Å; D311-A313 PolarHBondContact O-N 3.48Å; D311-A313 WeakPolarHBondContact OD1-CB 3.31Å; D311-A313 PolarHBondContact OD1-N 3.15Å; D311-A314 HydrophobicContact CB-CB 3.84Å; D311-A314 PolarHBondContact O-N 2.95Å; D311-P331 WeakPolarHBondContact CB-O 3.22Å; D311-P331 PolarHBondContact N-O 2.92Å; D311-I333 HydrophobicContact CB-CD1 4.17Å; D311-I333 HydrophobicContact CB-CG1 4.25Å; D311-I333 HydrophobicContact CB-CG2 3.94Å
312	P	86.5	Confident	88.5	Confident	119 Å²	119	95.1 Å²	95.1	77%	0.773	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.1	-179.7	31.6	-36.8	0	0	0	113.5	P310	P310-P312 VanDerWaalsContact O-CD 3.31Å; P310-P312 WeakPolarHBondContact O-CD 3.4Å
313	A	87.1	Confident	88.6	Confident	81 Å²	81	100.7 Å²	100.7	67%	0.669	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-12.1	175.5	0	0	0	0	0	113.1	D311	D311-A313 PolarHBondContact O-N 3.48Å; D311-A313 WeakPolarHBondContact OD1-CB 3.31Å; D311-A313 PolarHBondContact OD1-N 3.15Å
314	A	88.7	Confident	88.8	Confident	27 Å²	27	104.4 Å²	104.4	22%	0.223	55%	0.549	C	S	.	.			trans	-72.8	133.4	-179.5	0	0	0	0	0	111.5	D311 W328 A330	D311-A314 HydrophobicContact CB-CB 3.84Å; D311-A314 PolarHBondContact O-N 2.95Å; A314-W328 HydrophobicContact CB-CH2 3.71Å; A314-W328 HydrophobicContact CB-CZ2 3.97Å; A314-W328 WeakPolarHBondContact O-CH2 3.38Å; A314-A330 HydrophobicContact CB-CB 4.22Å
315	V	88.7	Confident	89	Confident	116 Å²	116	100.8 Å²	100.8	70%	0.703	53%	0.53	S	S	*	.			trans	-124.7	139.5	176.7	-178.4	0	0	0	0	107.4
316	P	89.1	Confident	89.3	Confident	56 Å²	56	99.4 Å²	99.4	36%	0.364	53%	0.531	S	S	.	.			trans	-55.6	139.9	175.1	21	-33.2	0	0	0	111.5	W328	P316-W328 HydrophobicContact CB-CB 4.24Å; P316-W328 HydrophobicContact CB-CD2 3.77Å; P316-W328 HydrophobicContact CB-CE3 4.21Å; P316-W328 HydrophobicContact CB-CG 3.78Å; P316-W328 HydrophobicContact CG-CD2 4.43Å; P316-W328 HydrophobicContact CG-CE3 4.39Å
317	P	91.2	Very high	89.5	Confident	61 Å²	61	104.7 Å²	104.7	40%	0.396	55%	0.55	S	S	.	.			trans	-53.1	148.3	171.4	-25.8	34.7	0	0	0	112.1	D319 W320	P317-D319 WeakPolarHBondContact CB-OD1 3.42Å; P317-D319 PolarHBondContact O-N 2.67Å; P317-W320 HydrophobicContact CB-CB 4.3Å; P317-W320 HydrophobicContact CG-CE3 4.16Å; P317-W320 VanDerWaalsContact O-CB 3.31Å; P317-W320 WeakPolarHBondContact O-CB 3.33Å; P317-W320 PolarHBondContact O-N 3.35Å; P317-W320 VanDerWaalsContact O-N 3.11Å
318	K	89.9	Confident	89.7	Confident	222 Å²	222	101.5 Å²	101.5	97%	0.965	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.2	-176.8	-68.5	-178.5	179.8	176.1	0	113.4
319	D	92.1	Very high	89.8	Confident	140 Å²	140	104.3 Å²	104.3	75%	0.749	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-0	178.8	52.5	-34.9	0	0	0	113	P317 D321	P317-D319 WeakPolarHBondContact CB-OD1 3.42Å; P317-D319 PolarHBondContact O-N 2.67Å; D319-D321 PolarHBondContact O-N 3.26Å
320	W	91.9	Very high	89.9	Confident	98 Å²	98	103 Å²	103	37%	0.371	55%	0.548	S	S	.	.			trans	-71.9	115.7	176	-166.9	-73.7	0	0	0	111.2	P317 D325 G326 W328	P317-W320 HydrophobicContact CB-CB 4.3Å; P317-W320 HydrophobicContact CG-CE3 4.16Å; P317-W320 VanDerWaalsContact O-CB 3.31Å; P317-W320 WeakPolarHBondContact O-CB 3.33Å; P317-W320 PolarHBondContact O-N 3.35Å; P317-W320 VanDerWaalsContact O-N 3.11Å; W320-D325 HydrophobicContact CD2-CB 4.16Å; W320-D325 HydrophobicContact CZ2-CB 3.87Å; W320-G326 PolarHBondContact NE1-O 2.98Å; W320-W328 HydrophobicContact CD2-CB 4.31Å; W320-W328 AromaticContact CD2-CD1 3.72Å; W320-W328 HydrophobicContact CD2-CG 4.39Å; W320-W328 AromaticContact CE2-CD1 3.86Å; W320-W328 AromaticContact CE3-CD1 3.79Å; W320-W328 HydrophobicContact CG-CB 4.42Å; W320-W328 HydrophobicContact CZ2-CB 4.35Å; W320-W328 AromaticContact CZ3-CD1 4Å
321	D	89.6	Confident	90	Very high	74 Å²	74	102.5 Å²	102.5	40%	0.396	55%	0.545	S	S	.	.			trans	-100.9	118.7	178.3	-177.1	-8.1	0	0	0	109.9	D319 E323 M324 D325	D319-D321 PolarHBondContact O-N 3.26Å; D321-E323 PolarHBondContact O-N 3.16Å; D321-E323 WeakPolarHBondContact OD1-CB 3.4Å; D321-E323 PolarHBondContact OD1-N 2.84Å; D321-M324 HydrophobicContact CB-CB 4.1Å; D321-M324 HydrophobicContact CB-CG 4.39Å; D321-M324 PolarHBondContact O-N 2.94Å; D321-M324 WeakPolarHBondContact OD2-CG 3.39Å; D321-D325 PolarHBondContact N-OD2 3.41Å; D321-D325 WeakPolarHBondContact O-CA 3.25Å; D321-D325 VanDerWaalsContact O-CB 3.27Å; D321-D325 WeakPolarHBondContact O-CB 3.24Å; D321-D325 PolarHBondContact O-N 2.93Å
322	R	91.5	Very high	90	Very high	198 Å²	198	106.5 Å²	106.5	75%	0.747	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-21.8	180	-65.9	-176.2	-177.2	-174.6	-1.3	113.7	G326	R322-G326 WeakPolarHBondContact CA-O 3.34Å; R322-G326 WeakPolarHBondContact O-CA 3.12Å; R322-G326 PolarHBondContact O-N 3.01Å
323	E	89.1	Confident	90.1	Very high	181 Å²	181	103.5 Å²	103.5	85%	0.846	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-33	178.4	-167.8	170.5	178.8	0	0	111.7	D321	D321-E323 PolarHBondContact O-N 3.16Å; D321-E323 WeakPolarHBondContact OD1-CB 3.4Å; D321-E323 PolarHBondContact OD1-N 2.84Å
324	M	90.2	Very high	90.2	Very high	153 Å²	153	105.7 Å²	105.7	75%	0.754	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-39.7	-179.1	-64	-68.2	-63	0	0	113.7	D321	D321-M324 HydrophobicContact CB-CB 4.1Å; D321-M324 HydrophobicContact CB-CG 4.39Å; D321-M324 PolarHBondContact O-N 2.94Å; D321-M324 WeakPolarHBondContact OD2-CG 3.39Å
325	D	89.8	Confident	90.1	Very high	89 Å²	89	104.7 Å²	104.7	48%	0.476	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-11.7	-173.7	-50.7	-49.4	0	0	0	113.2	W320 D321	W320-D325 HydrophobicContact CD2-CB 4.16Å; W320-D325 HydrophobicContact CZ2-CB 3.87Å; D321-D325 PolarHBondContact N-OD2 3.41Å; D321-D325 WeakPolarHBondContact O-CA 3.25Å; D321-D325 VanDerWaalsContact O-CB 3.27Å; D321-D325 WeakPolarHBondContact O-CB 3.24Å; D321-D325 PolarHBondContact O-N 2.93Å
326	G	90.6	Very high	90.1	Very high	29 Å²	29	103.4 Å²	103.4	30%	0.299	53%	0.525	S	S	.	.			trans	84.2	-170.2	179	0	0	0	0	0	115.1	W320 R322 W328	W320-G326 PolarHBondContact NE1-O 2.98Å; R322-G326 WeakPolarHBondContact CA-O 3.34Å; R322-G326 WeakPolarHBondContact O-CA 3.12Å; R322-G326 PolarHBondContact O-N 3.01Å; G326-W328 PolarHBondContact O-N 3.22Å
327	E	89.4	Confident	89.8	Confident	179 Å²	179	106 Å²	106	84%	0.836	53%	0.53	S	S	*	.	S	Bend	trans	-67.5	119.3	177.6	-68.6	-164.3	156.8	0	0	111.1	V329	E327-V329 PolarHBondContact O-N 2.77Å
328	W	90.8	Very high	89.5	Confident	68 Å²	68	104.2 Å²	104.2	26%	0.258	52%	0.519	S	S	.	.			trans	-68.2	125.7	176.4	-179.2	84.4	0	0	0	111.2	A314 P316 W320 G326 A330	A314-W328 HydrophobicContact CB-CH2 3.71Å; A314-W328 HydrophobicContact CB-CZ2 3.97Å; A314-W328 WeakPolarHBondContact O-CH2 3.38Å; P316-W328 HydrophobicContact CB-CB 4.24Å; P316-W328 HydrophobicContact CB-CD2 3.77Å; P316-W328 HydrophobicContact CB-CE3 4.21Å; P316-W328 HydrophobicContact CB-CG 3.78Å; P316-W328 HydrophobicContact CG-CD2 4.43Å; P316-W328 HydrophobicContact CG-CE3 4.39Å; W320-W328 HydrophobicContact CD2-CB 4.31Å; W320-W328 AromaticContact CD2-CD1 3.72Å; W320-W328 HydrophobicContact CD2-CG 4.39Å; W320-W328 AromaticContact CE2-CD1 3.86Å; W320-W328 AromaticContact CE3-CD1 3.79Å; W320-W328 HydrophobicContact CG-CB 4.42Å; W320-W328 HydrophobicContact CZ2-CB 4.35Å; W320-W328 AromaticContact CZ3-CD1 4Å; G326-W328 PolarHBondContact O-N 3.22Å; W328-A330 HydrophobicContact CH2-CB 3.51Å; W328-A330 HydrophobicContact CZ2-CB 4.25Å; W328-A330 HydrophobicContact CZ3-CB 3.74Å
329	V	90	Very high	89.2	Confident	119 Å²	119	98.2 Å²	98.2	72%	0.721	51%	0.51	S	S	*	.			trans	-109.6	128.5	174.1	-177.4	0	0	0	0	108.5	E327	E327-V329 PolarHBondContact O-N 2.77Å
330	A	90.4	Very high	88.6	Confident	19 Å²	19	97.1 Å²	97.1	16%	0.157	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-62.6	141.1	178.2	0	0	0	0	0	111.3	P310 A314 W328 Q332	P310-A330 HydrophobicContact CB-CB 4.09Å; A314-A330 HydrophobicContact CB-CB 4.22Å; W328-A330 HydrophobicContact CH2-CB 3.51Å; W328-A330 HydrophobicContact CZ2-CB 4.25Å; W328-A330 HydrophobicContact CZ3-CB 3.74Å; A330-Q332 PolarHBondContact O-N 3.01Å
331	P	91.7	Very high	88.2	Confident	75 Å²	75	93.6 Å²	93.6	49%	0.487	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-52.2	139.1	172.2	-26.1	35.1	0	0	0	111.4	D311	D311-P331 WeakPolarHBondContact CB-O 3.22Å; D311-P331 PolarHBondContact N-O 2.92Å
332	Q	91.7	Very high	88	Confident	132 Å²	132	93.6 Å²	93.6	62%	0.617	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	131	174.8	-77	-168.9	-13.2	0	0	110.2	M308 I309 A330	M308-Q332 HydrophobicContact CB-CB 4.12Å; M308-Q332 HydrophobicContact CB-CG 4.5Å; M308-Q332 HydrophobicContact CE-CB 4.02Å; M308-Q332 WeakPolarHBondContact CE-O 3.45Å; I309-Q332 WeakPolarHBondContact O-CA 3.42Å; A330-Q332 PolarHBondContact O-N 3.01Å
333	I	89.8	Confident	87.7	Confident	57 Å²	57	84.8 Å²	84.8	29%	0.292	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.1	176	58.6	168.2	0	0	0	110.4	M308 I309 D311 N335	M308-I333 CarbonylContact C-O 3.55Å; M308-I333 WeakPolarHBondContact CA-O 3.25Å; I309-I333 HydrophobicContact CG1-CD1 4.35Å; I309-I333 HydrophobicContact CG1-CG1 3.86Å; I309-I333 PolarHBondContact N-O 2.91Å; I309-I333 WeakPolarHBondContact O-CG1 3.38Å; I309-I333 PolarHBondContact O-N 2.72Å; D311-I333 HydrophobicContact CB-CD1 4.17Å; D311-I333 HydrophobicContact CB-CG1 4.25Å; D311-I333 HydrophobicContact CB-CG2 3.94Å; I333-N335 PolarHBondContact O-N 2.96Å
334	N	88.5	Confident	87.5	Confident	126 Å²	126	76.5 Å²	76.5	67%	0.674	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	126.4	174	-60.6	4.3	0	0	0	109.4	M308 P336	M308-N334 HydrophobicContact SD-CB 4.48Å; M308-N334 PolarHBondContact SD-OD1 2.67Å; N334-P336 WeakPolarHBondContact O-CD 3.36Å
335	N	86.6	Confident	87.3	Confident	7 Å²	7	69.9 Å²	69.9	4%	0.037	41%	0.413	C	S	.	.			trans	-62.5	120.6	-179.6	174.7	-3.8	0	0	0	110.2	E305 P306 E307 I309 I333 K337 C338	E305-N335 PolarHBondContact OE2-ND2 2.85Å; P306-N335 WeakPolarHBondContact O-CB 3.3Å; P306-N335 PolarHBondContact O-ND2 3.12Å; E307-N335 WeakPolarHBondContact O-CB 3.41Å; E307-N335 PolarHBondContact O-N 2.86Å; I309-N335 HydrophobicContact CG1-CB 4.34Å; I309-N335 HydrophobicContact CG2-CB 4.01Å; I333-N335 PolarHBondContact O-N 2.96Å; N335-K337 PolarHBondContact O-N 2.8Å; N335-K337 WeakPolarHBondContact OD1-CB 3.4Å; N335-K337 PolarHBondContact OD1-N 2.81Å; N335-K337 VanDerWaalsContact OD1-N 3.15Å; N335-C338 VanDerWaalsContact CB-SG 3.54Å; N335-C338 VanDerWaalsContact O-CB 3.25Å; N335-C338 WeakPolarHBondContact O-CB 3.26Å; N335-C338 PolarHBondContact O-N 2.87Å
336	P	87.5	Confident	87.1	Confident	89 Å²	89	73.4 Å²	73.4	58%	0.578	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.4	-175.3	-28.3	36	0	0	0	114.8	N334 C338 A339	N334-P336 WeakPolarHBondContact O-CD 3.36Å; P336-C338 PolarHBondContact O-N 2.96Å; P336-A339 PolarHBondContact O-N 2.8Å
337	K	83.5	Confident	86.9	Confident	111 Å²	111	74.4 Å²	74.4	48%	0.483	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-32.3	175	-63.6	171.3	-176.9	171.7	0	112.1	E305 N335 A339 S340	E305-K337 HydrophobicContact CG-CD 4.14Å; E305-K337 IonicContact OE1-NZ 3.76Å; E305-K337 PolarHBondContact OE1-NZ 3.16Å; E305-K337 WeakPolarHBondContact OE2-CD 3.1Å; E305-K337 IonicContact OE2-NZ 2.66Å; E305-K337 PolarHBondContact OE2-NZ 2.64Å; N335-K337 PolarHBondContact O-N 2.8Å; N335-K337 WeakPolarHBondContact OD1-CB 3.4Å; N335-K337 PolarHBondContact OD1-N 2.81Å; N335-K337 VanDerWaalsContact OD1-N 3.15Å; K337-A339 VanDerWaalsContact C-N 3.3Å; K337-A339 PolarHBondContact O-N 2.78Å; K337-S340 PolarHBondContact O-N 2.77Å
338	C	85.2	Confident	86.7	Confident	23 Å²	23	71.9 Å²	71.9	16%	0.155	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-72.5	-24	-175.9	-52.7	0	0	0	0	112.7	N335 P336 S340 A341 C344	N335-C338 VanDerWaalsContact CB-SG 3.54Å; N335-C338 VanDerWaalsContact O-CB 3.25Å; N335-C338 WeakPolarHBondContact O-CB 3.26Å; N335-C338 PolarHBondContact O-N 2.87Å; P336-C338 PolarHBondContact O-N 2.96Å; C338-S340 PolarHBondContact O-N 3.06Å; C338-A341 PolarHBondContact O-N 2.76Å; C338-A341 VanDerWaalsContact O-O 3.1Å; C338-C344 WeakPolarHBondContact CA-SG 3.08Å; C338-C344 HydrophobicContact CB-CB 3.81Å; C338-C344 WeakPolarHBondContact CB-SG 3.21Å; C338-C344 WeakPolarHBondContact SG-CB 3.36Å; C338-C344 CovalentContact SG-SG 2.01Å; C338-C344 PolarHBondContact SG-SG 3.09Å
339	A	82.5	Confident	86.6	Confident	95 Å²	95	73 Å²	73	79%	0.785	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-65.5	-16.7	172.3	0	0	0	0	0	113.5	P336 K337	P336-A339 PolarHBondContact O-N 2.8Å; K337-A339 VanDerWaalsContact C-N 3.3Å; K337-A339 PolarHBondContact O-N 2.78Å
340	S	81.3	Confident	86.5	Confident	117 Å²	117	70.6 Å²	70.6	82%	0.818	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-101.4	1.7	177.6	-57.6	0	0	0	0	113.6	K337 C338	K337-S340 PolarHBondContact O-N 2.77Å; C338-S340 PolarHBondContact O-N 3.06Å
341	A	83.3	Confident	86.5	Confident	24 Å²	24	75.2 Å²	75.2	20%	0.198	42%	0.419	C	S	.	.	S	Bend	trans	-125.7	164.3	-175.6	0	0	0	0	0	111.1	L302 C338 G343	L302-A341 HydrophobicContact CD1-CB 3.64Å; L302-A341 HydrophobicContact CG-CB 3.81Å; C338-A341 PolarHBondContact O-N 2.76Å; C338-A341 VanDerWaalsContact O-O 3.1Å; A341-G343 PolarHBondContact O-N 2.79Å
342	P	84.3	Confident	86.5	Confident	74 Å²	74	74.7 Å²	74.7	48%	0.481	41%	0.411	S	S	.	.	S	Bend	trans	-64.4	-14.9	173.1	-20.7	33.6	0	0	0	114.4	P298 G300	P298-P342 HydrophobicContact CB-CB 3.85Å; P298-P342 HydrophobicContact CB-CG 4.36Å; G300-P342 WeakPolarHBondContact O-CD 3.37Å
343	G	85.2	Confident	86.5	Confident	13 Å²	13	73.4 Å²	73.4	13%	0.134	41%	0.414	C	S	.	.			trans	161.8	171.6	-178.8	0	0	0	0	0	111.7	L302 A341	L302-G343 PolarHBondContact N-O 2.82Å; A341-G343 PolarHBondContact O-N 2.79Å
344	C	85.6	Confident	86.5	Confident	8 Å²	8	71.7 Å²	71.7	5%	0.054	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-135.2	168.4	-176.1	-83.5	0	0	0	0	111.6	W301 L302 E307 C338	W301-C344 WeakPolarHBondContact CZ2-O 3.18Å; W301-C344 PolarHBondContact NE1-O 2.82Å; L302-C344 CarbonylContact O-C 3.52Å; L302-C344 WeakPolarHBondContact O-CA 3.21Å; E307-C344 HydrophobicContact CB-CB 4.5Å; C338-C344 WeakPolarHBondContact CA-SG 3.08Å; C338-C344 HydrophobicContact CB-CB 3.81Å; C338-C344 WeakPolarHBondContact CB-SG 3.21Å; C338-C344 WeakPolarHBondContact SG-CB 3.36Å; C338-C344 CovalentContact SG-SG 2.01Å; C338-C344 PolarHBondContact SG-SG 3.09Å
345	G	86.2	Confident	86.4	Confident	13 Å²	13	71.6 Å²	71.6	13%	0.134	41%	0.412	C	S	.	.	S	Bend	trans	71.7	-171.3	178.7	0	0	0	0	0	112.2	W301 L302 D303 E305 W347	W301-G345 PolarHBondContact NE1-O 2.78Å; L302-G345 PolarHBondContact O-N 3.43Å; D303-G345 WeakPolarHBondContact CA-O 3.39Å; D303-G345 CarbonylContact O-C 3.56Å; E305-G345 VanDerWaalsContact O-CA 3.32Å; E305-G345 WeakPolarHBondContact O-CA 3.37Å; E305-G345 PolarHBondContact O-N 2.94Å; G345-W347 PolarHBondContact O-N 3.46Å; G345-W347 VanDerWaalsContact O-N 3.11Å
346	K	85.2	Confident	86.4	Confident	164 Å²	164	79.2 Å²	79.2	71%	0.713	45%	0.445	S	S	*	.	S	Bend	trans	-64.9	114.6	-179.4	-172.6	177	-178.4	-179.6	0	110.2	H348	K346-H348 PolarHBondContact O-CD2 2.88Å; K346-H348 PolarHBondContact O-N 3.07Å
347	W	86.8	Confident	86.5	Confident	49 Å²	49	80.1 Å²	80.1	19%	0.186	44%	0.437	C	S	.	.			trans	-65.1	129.5	175.6	-175.9	76	0	0	0	111.2	K297 W301 G345 R349	K297-W347 HydrophobicContact CB-CD2 3.7Å; K297-W347 HydrophobicContact CB-CE3 3.78Å; K297-W347 HydrophobicContact CB-CG 4.27Å; K297-W347 HydrophobicContact CB-CH2 4.04Å; K297-W347 HydrophobicContact CB-CZ2 4.01Å; K297-W347 HydrophobicContact CB-CZ3 3.95Å; K297-W347 HydrophobicContact CD-CB 3.79Å; K297-W347 HydrophobicContact CD-CD2 3.97Å; K297-W347 HydrophobicContact CD-CE3 4.08Å; K297-W347 HydrophobicContact CD-CG 3.86Å; K297-W347 HydrophobicContact CG-CB 4.17Å; K297-W347 HydrophobicContact CG-CD2 3.7Å; K297-W347 HydrophobicContact CG-CE3 4.12Å; K297-W347 HydrophobicContact CG-CG 3.72Å; W301-W347 HydrophobicContact CD2-CB 4.25Å; W301-W347 AromaticContact CD2-CD1 3.74Å; W301-W347 HydrophobicContact CD2-CG 4.34Å; W301-W347 AromaticContact CE2-CD1 3.78Å; W301-W347 AromaticContact CE3-CD1 3.73Å; W301-W347 HydrophobicContact CG-CB 4.35Å; W301-W347 AromaticContact CH2-CD1 3.85Å; W301-W347 HydrophobicContact CZ2-CB 4.38Å; W301-W347 AromaticContact CZ2-CD1 3.85Å; W301-W347 AromaticContact CZ3-CD1 3.79Å; G345-W347 PolarHBondContact O-N 3.46Å; G345-W347 VanDerWaalsContact O-N 3.11Å; W347-R349 HydrophobicContact CH2-CB 4.38Å; W347-R349 HydrophobicContact CH2-CG 3.63Å; W347-R349 HydrophobicContact CZ3-CG 3.67Å
348	H	84.4	Confident	86.5	Confident	126 Å²	126	78.8 Å²	78.8	58%	0.583	43%	0.432	S	S	*	.			trans	-111.6	143.7	171.8	-70.1	-86	0	0	0	109.2	K346	K346-H348 PolarHBondContact O-CD2 2.88Å; K346-H348 PolarHBondContact O-N 3.07Å
349	R	88.8	Confident	86.5	Confident	93 Å²	93	78.2 Å²	78.2	35%	0.351	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-62.4	140	172.5	-70.9	-177.1	-164.8	-82.4	-0.7	109.3	E291 A295 W347 I351	E291-R349 HydrophobicContact CB-CB 3.95Å; E291-R349 HydrophobicContact CG-CB 4.22Å; E291-R349 WeakPolarHBondContact OE2-CD 3.38Å; E291-R349 IonicContact OE2-NE 3.57Å; A295-R349 PolarHBondContact O-NH1 3.38Å; W347-R349 HydrophobicContact CH2-CB 4.38Å; W347-R349 HydrophobicContact CH2-CG 3.63Å; W347-R349 HydrophobicContact CZ3-CG 3.67Å; R349-I351 PolarHBondContact O-N 3.01Å
350	P	88.5	Confident	86.6	Confident	67 Å²	67	82.5 Å²	82.5	44%	0.435	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-50.3	139.1	165.4	-25	34.4	0	0	0	110.2	D292 A295	D292-P350 HydrophobicContact CB-CB 4.49Å; D292-P350 WeakPolarHBondContact CB-O 3.16Å; D292-P350 PolarHBondContact N-O 2.81Å; A295-P350 HydrophobicContact CB-CG 3.9Å
351	I	91	Very high	86.9	Confident	116 Å²	116	79.9 Å²	79.9	60%	0.595	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.3	179.9	-30.4	-179.6	0	0	0	108.2	I290 R349	I290-I351 CarbonylContact O-C 3.51Å; I290-I351 WeakPolarHBondContact O-CA 3.38Å; I290-I351 VanDerWaalsContact O-CG2 3.29Å; I290-I351 WeakPolarHBondContact O-CG2 3.48Å; R349-I351 PolarHBondContact O-N 3.01Å
352	I	90.4	Very high	87.1	Confident	65 Å²	65	83.5 Å²	83.5	33%	0.333	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	153.4	-179.1	55.1	171.2	0	0	0	111	T289 I290 D292 N354	T289-I352 CarbonylContact C-O 3.39Å; T289-I352 WeakPolarHBondContact CA-O 3.37Å; I290-I352 HydrophobicContact CG1-CD1 4.35Å; I290-I352 HydrophobicContact CG1-CG1 3.86Å; I290-I352 PolarHBondContact N-O 3.47Å; I290-I352 WeakPolarHBondContact O-CG1 3.29Å; I290-I352 PolarHBondContact O-N 3.47Å; D292-I352 HydrophobicContact CB-CD1 4.2Å; D292-I352 HydrophobicContact CB-CG1 4.23Å; D292-I352 HydrophobicContact CB-CG2 3.95Å; I352-N354 PolarHBondContact O-N 3.28Å
353	P	91.9	Very high	87.4	Confident	105 Å²	105	80.9 Å²	80.9	68%	0.682	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	131.5	173.3	-21.9	33.5	0	0	0	110.9	P355	P353-P355 VanDerWaalsContact O-CD 3.27Å; P353-P355 WeakPolarHBondContact O-CD 3.32Å
354	N	89.3	Confident	87.6	Confident	20 Å²	20	83.6 Å²	83.6	11%	0.107	43%	0.426	C	S	.	.			trans	-78	115.6	179.9	178.7	3.2	0	0	0	110.6	P287 A288 I290 I352 K356 Y357	P287-N354 WeakPolarHBondContact O-CB 3.16Å; P287-N354 PolarHBondContact O-ND2 2.79Å; A288-N354 PolarHBondContact O-N 3.46Å; I290-N354 HydrophobicContact CD1-CB 4.37Å; I290-N354 HydrophobicContact CG1-CB 4.21Å; I290-N354 HydrophobicContact CG2-CB 3.99Å; I352-N354 PolarHBondContact O-N 3.28Å; N354-K356 PolarHBondContact O-N 2.82Å; N354-K356 WeakPolarHBondContact OD1-CB 3.41Å; N354-K356 PolarHBondContact OD1-N 2.85Å; N354-Y357 WeakPolarHBondContact O-CB 3.45Å; N354-Y357 PolarHBondContact O-N 2.05Å
355	P	87.6	Confident	87.9	Confident	124 Å²	124	88.4 Å²	88.4	81%	0.805	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.1	-178.8	-21.6	34.7	0	0	0	114.4	P353	P353-P355 VanDerWaalsContact O-CD 3.27Å; P353-P355 WeakPolarHBondContact O-CD 3.32Å
356	K	86.5	Confident	88.2	Confident	167 Å²	167	90.6 Å²	90.6	73%	0.726	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.8	176.3	-62.3	-178.9	179.3	176.7	0	113.5	N354 K358	N354-K356 PolarHBondContact O-N 2.82Å; N354-K356 WeakPolarHBondContact OD1-CB 3.41Å; N354-K356 PolarHBondContact OD1-N 2.85Å; K356-K358 PolarHBondContact O-N 2.91Å
357	Y	88.2	Confident	88.6	Confident	108 Å²	108	87.7 Å²	87.7	42%	0.424	46%	0.455	S	S	.	.			trans	-72.3	115.7	-179.2	-176.9	-113.6	0	0	0	111.2	A286 A288 N354	A286-Y357 WeakPolarHBondContact O-CD2 3.49Å; A286-Y357 WeakPolarHBondContact O-CE2 3.4Å; A288-Y357 HydrophobicContact CB-CD1 3.91Å; A288-Y357 HydrophobicContact CB-CD2 4.23Å; A288-Y357 HydrophobicContact CB-CE1 3.74Å; A288-Y357 HydrophobicContact CB-CE2 4.07Å; A288-Y357 HydrophobicContact CB-CG 4.13Å; N354-Y357 WeakPolarHBondContact O-CB 3.45Å; N354-Y357 PolarHBondContact O-N 2.05Å
358	K	83.8	Confident	88.8	Confident	84 Å²	84	85.9 Å²	85.9	37%	0.365	45%	0.449	S	S	.	.			trans	-104.7	-5.8	173.1	-62.5	-179.8	178.3	169.3	0	113.3	D281 W282 K356	D281-K358 PolarHBondContact O-NZ 2.85Å; D281-K358 IonicContact OD1-NZ 3.45Å; D281-K358 PolarHBondContact OD1-NZ 2.9Å; D281-K358 VanDerWaalsContact OD1-NZ 3.08Å; D281-K358 IonicContact OD2-NZ 2.85Å; D281-K358 PolarHBondContact OD2-NZ 2.99Å; W282-K358 HydrophobicContact CB-CD 4.47Å; W282-K358 HydrophobicContact CD2-CB 3.79Å; W282-K358 HydrophobicContact CD2-CD 3.7Å; W282-K358 HydrophobicContact CD2-CG 4.42Å; W282-K358 VanDerWaalsContact CE2-CB 3.42Å; W282-K358 HydrophobicContact CE3-CB 4.26Å; W282-K358 HydrophobicContact CE3-CD 3.64Å; W282-K358 HydrophobicContact CG-CB 4.3Å; W282-K358 HydrophobicContact CG-CD 4.07Å; W282-K358 HydrophobicContact CH2-CB 4.11Å; W282-K358 HydrophobicContact CZ2-CB 3.64Å; W282-K358 WeakPolarHBondContact CZ2-O 3.48Å; W282-K358 HydrophobicContact CZ3-CB 4.39Å; W282-K358 HydrophobicContact CZ3-CD 4.14Å; K356-K358 PolarHBondContact O-N 2.91Å
359	G	85.8	Confident	89.1	Confident	10 Å²	10	85.2 Å²	85.2	10%	0.103	46%	0.456	C	S	.	.			trans	77.7	-167.9	-172.9	0	0	0	0	0	113.4	W282	W282-G359 PolarHBondContact NE1-O 3.43Å
360	K	85.6	Confident	89.2	Confident	186 Å²	186	85.9 Å²	85.9	81%	0.809	47%	0.466	S	S	*	.	S	Bend	trans	-75.3	135	171	-66.6	-176.9	179.4	-179.9	0	109.3
361	W	87.5	Confident	89.3	Confident	62 Å²	62	86.9 Å²	86.9	24%	0.235	46%	0.462	C	S	.	.			trans	-76.2	128.6	179.5	-178.3	79.6	0	0	0	110.3	A276 K277 K278 W282 E284 A363	A276-W361 HydrophobicContact CB-CH2 3.9Å; A276-W361 HydrophobicContact CB-CZ2 4.09Å; A276-W361 WeakPolarHBondContact O-CH2 3.2Å; K277-W361 VanDerWaalsContact C-CH2 3.46Å; K277-W361 WeakPolarHBondContact O-CZ2 3.27Å; K278-W361 HydrophobicContact CB-CD2 3.8Å; K278-W361 HydrophobicContact CB-CE3 3.7Å; K278-W361 HydrophobicContact CB-CG 4.19Å; K278-W361 HydrophobicContact CB-CZ3 4.14Å; K278-W361 HydrophobicContact CD-CB 4.27Å; K278-W361 HydrophobicContact CG-CB 3.94Å; K278-W361 HydrophobicContact CG-CD2 4.1Å; K278-W361 HydrophobicContact CG-CE3 4.32Å; K278-W361 HydrophobicContact CG-CG 3.93Å; W282-W361 HydrophobicContact CD2-CB 4.08Å; W282-W361 AromaticContact CD2-CD1 3.7Å; W282-W361 HydrophobicContact CD2-CG 4.26Å; W282-W361 AromaticContact CE2-CD1 3.93Å; W282-W361 AromaticContact CE3-CD1 3.71Å; W282-W361 HydrophobicContact CG-CB 4.09Å; W282-W361 HydrophobicContact CG-CG 4.5Å; W282-W361 HydrophobicContact CZ2-CB 4.33Å; W282-W361 AromaticContact CZ3-CD1 3.97Å; E284-W361 PolarHBondContact OE1-N 3.4Å; W361-A363 HydrophobicContact CH2-CB 3.5Å; W361-A363 VanDerWaalsContact CH2-CB 3.5Å; W361-A363 HydrophobicContact CZ2-CB 4.17Å; W361-A363 HydrophobicContact CZ3-CB 3.82Å
362	S	87	Confident	89.2	Confident	99 Å²	99	85.8 Å²	85.8	69%	0.692	45%	0.453	S	S	*	.			trans	-111.4	134.5	168	51.4	0	0	0	0	109.8
363	A	89.1	Confident	89.2	Confident	19 Å²	19	83.6 Å²	83.6	16%	0.157	45%	0.446	C	S	.	.			trans	-64.5	143.8	171.9	0	0	0	0	0	110.4	V272 A276 W361	V272-A363 HydrophobicContact CG1-CB 3.37Å; A276-A363 HydrophobicContact CB-CB 4.07Å; W361-A363 HydrophobicContact CH2-CB 3.5Å; W361-A363 VanDerWaalsContact CH2-CB 3.5Å; W361-A363 HydrophobicContact CZ2-CB 4.17Å; W361-A363 HydrophobicContact CZ3-CB 3.82Å
364	P	90.1	Very high	89.2	Confident	71 Å²	71	84.5 Å²	84.5	46%	0.461	44%	0.444	S	S	.	.			trans	-63.7	149.9	-179.1	27.8	-35	0	0	0	111.7	D273 A276	D273-P364 HydrophobicContact CB-CG 4.17Å; D273-P364 PolarHBondContact N-O 2.93Å; A276-P364 HydrophobicContact CB-CG 4.03Å
365	M	92.7	Very high	89.3	Confident	108 Å²	108	86 Å²	86	53%	0.532	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.9	176.7	-64.7	-64.3	-71.7	0	0	110.1	K270 I271 V272	K270-M365 HydrophobicContact CB-CB 4.19Å; K270-M365 HydrophobicContact CB-CE 3.94Å; K270-M365 HydrophobicContact CD-CB 4.44Å; K270-M365 WeakPolarHBondContact O-CE 3.28Å; I271-M365 CarbonylContact O-C 3.53Å; I271-M365 WeakPolarHBondContact O-CA 3.38Å; V272-M365 HydrophobicContact CB-SD 4.38Å; V272-M365 HydrophobicContact CG2-SD 3.66Å
366	I	91.6	Very high	89.5	Confident	59 Å²	59	84.8 Å²	84.8	30%	0.303	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	152	176.6	55.2	170.3	0	0	0	111.2	K270 I271 D273 N368	K270-I366 CarbonylContact C-O 3.53Å; K270-I366 WeakPolarHBondContact CA-O 3.45Å; I271-I366 HydrophobicContact CG1-CD1 4.43Å; I271-I366 HydrophobicContact CG1-CG1 3.97Å; I271-I366 PolarHBondContact N-O 3.4Å; I271-I366 WeakPolarHBondContact O-CG1 3.29Å; I271-I366 PolarHBondContact O-N 3.04Å; D273-I366 HydrophobicContact CB-CD1 3.98Å; D273-I366 HydrophobicContact CB-CG1 4.08Å; D273-I366 HydrophobicContact CB-CG2 3.9Å; I366-N368 PolarHBondContact O-N 2.68Å
367	P	93.3	Very high	89.7	Confident	104 Å²	104	78.6 Å²	78.6	68%	0.675	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	132.5	171.2	-23.2	34	0	0	0	110.8	P369	P367-P369 WeakPolarHBondContact O-CD 3.21Å
368	N	91.8	Very high	89.9	Confident	11 Å²	11	82.1 Å²	82.1	6%	0.059	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-78.6	116.7	-177.4	-177.5	5.1	0	0	0	110.9	D266 R268 E269 I271 I366 N370 Y371	D266-N368 PolarHBondContact OD1-ND2 3.14Å; D266-N368 PolarHBondContact OD2-ND2 3.22Å; R268-N368 WeakPolarHBondContact O-CB 3.48Å; R268-N368 PolarHBondContact O-ND2 3.18Å; E269-N368 PolarHBondContact O-N 2.95Å; I271-N368 HydrophobicContact CD1-CB 4.43Å; I271-N368 HydrophobicContact CG1-CB 4.13Å; I271-N368 HydrophobicContact CG2-CB 3.92Å; I366-N368 PolarHBondContact O-N 2.68Å; N368-N370 PolarHBondContact O-N 3Å; N368-N370 VanDerWaalsContact O-N 3.15Å; N368-N370 PolarHBondContact OD1-N 3.31Å; N368-Y371 WeakPolarHBondContact O-CB 3.37Å; N368-Y371 PolarHBondContact O-N 2.61Å; N368-Y371 VanDerWaalsContact O-N 3.16Å
369	P	90.3	Very high	90.3	Very high	111 Å²	111	83.7 Å²	83.7	72%	0.721	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.2	178.5	28.8	-35.8	0	0	0	113.3	P367	P367-P369 WeakPolarHBondContact O-CD 3.21Å
370	N	90.7	Very high	90.7	Very high	108 Å²	108	85.7 Å²	85.7	58%	0.578	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	3.2	178.1	-62.5	-43.8	0	0	0	113.8	D266 N368 K372	D266-N370 HydrophobicContact CB-CB 4.34Å; N368-N370 PolarHBondContact O-N 3Å; N368-N370 VanDerWaalsContact O-N 3.15Å; N368-N370 PolarHBondContact OD1-N 3.31Å; N370-K372 PolarHBondContact O-N 3.17Å
371	Y	91.7	Very high	91	Very high	87 Å²	87	82 Å²	82	34%	0.341	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-62.7	119	180	176.3	-111.4	0	0	0	111.1	D266 E267 E269 N368 G373	D266-Y371 WeakPolarHBondContact O-CA 3.49Å; E267-Y371 VanDerWaalsContact O-CE2 3.26Å; E267-Y371 WeakPolarHBondContact O-CE2 3.15Å; E269-Y371 HydrophobicContact CB-CE2 4.37Å; E269-Y371 HydrophobicContact CG-CD2 4.08Å; E269-Y371 HydrophobicContact CG-CE1 4.07Å; E269-Y371 HydrophobicContact CG-CE2 3.48Å; E269-Y371 VanDerWaalsContact CG-CE2 3.48Å; E269-Y371 VanDerWaalsContact CG-CZ 3.45Å; E269-Y371 PolarHBondContact OE1-OH 3.33Å; N368-Y371 WeakPolarHBondContact O-CB 3.37Å; N368-Y371 PolarHBondContact O-N 2.61Å; N368-Y371 VanDerWaalsContact O-N 3.16Å; Y371-G373 VanDerWaalsContact CZ-CA 3.45Å
372	K	89.2	Confident	91.1	Very high	93 Å²	93	79.8 Å²	79.8	40%	0.404	43%	0.431	S	S	.	.			trans	-102.5	7.5	-178.9	-71.6	174.6	-176.9	163.4	0	113.4	D264 W265 D266 N370	D264-K372 PolarHBondContact O-NZ 3.33Å; D264-K372 IonicContact OD2-NZ 2.67Å; D264-K372 PolarHBondContact OD2-NZ 3.5Å; W265-K372 HydrophobicContact CD2-CB 3.86Å; W265-K372 HydrophobicContact CD2-CD 3.9Å; W265-K372 VanDerWaalsContact CE2-CB 3.45Å; W265-K372 HydrophobicContact CE3-CB 4.35Å; W265-K372 HydrophobicContact CE3-CD 3.83Å; W265-K372 HydrophobicContact CG-CB 4.33Å; W265-K372 HydrophobicContact CG-CD 4.3Å; W265-K372 HydrophobicContact CH2-CB 4.18Å; W265-K372 HydrophobicContact CZ2-CB 3.66Å; W265-K372 VanDerWaalsContact CZ2-O 3.22Å; W265-K372 WeakPolarHBondContact CZ2-O 3.46Å; W265-K372 HydrophobicContact CZ3-CB 4.5Å; W265-K372 HydrophobicContact CZ3-CD 4.25Å; D266-K372 PolarHBondContact O-N 3.29Å; N370-K372 PolarHBondContact O-N 3.17Å
373	G	89.9	Confident	91.1	Very high	19 Å²	19	79.5 Å²	79.5	20%	0.196	43%	0.426	C	S	.	.			trans	86	170.7	-166.9	0	0	0	0	0	112.2	W265 Y371 W375	W265-G373 PolarHBondContact NE1-O 2.96Å; Y371-G373 VanDerWaalsContact CZ-CA 3.45Å; G373-W375 PolarHBondContact O-N 2.85Å
374	I	91	Very high	91	Very high	125 Å²	125	83 Å²	83	64%	0.641	44%	0.44	S	S	*	.	S	Bend	trans	-65.7	128.4	169.6	-58.8	173.3	0	0	0	108
375	W	92.7	Very high	90.9	Very high	50 Å²	50	83 Å²	83	19%	0.189	43%	0.431	C	S	.	.			trans	-71.7	135.4	179.9	179.6	82.1	0	0	0	110.8	K260 K261 W265 E267 G373 P377	K260-W375 VanDerWaalsContact C-CZ2 3.42Å; K261-W375 VanDerWaalsContact CA-CE2 3.49Å; K261-W375 HydrophobicContact CB-CD2 3.66Å; K261-W375 HydrophobicContact CB-CE3 3.72Å; K261-W375 HydrophobicContact CB-CG 4.05Å; K261-W375 HydrophobicContact CB-CH2 4.49Å; K261-W375 HydrophobicContact CB-CZ2 4.46Å; K261-W375 HydrophobicContact CB-CZ3 4.14Å; K261-W375 HydrophobicContact CD-CB 4.08Å; K261-W375 HydrophobicContact CD-CG 4.43Å; K261-W375 HydrophobicContact CG-CB 3.91Å; K261-W375 HydrophobicContact CG-CD2 3.95Å; K261-W375 HydrophobicContact CG-CE3 4.29Å; K261-W375 HydrophobicContact CG-CG 3.77Å; K261-W375 VanDerWaalsContact N-CZ2 3.28Å; W265-W375 HydrophobicContact CD2-CB 4.33Å; W265-W375 AromaticContact CD2-CD1 3.85Å; W265-W375 HydrophobicContact CD2-CG 4.48Å; W265-W375 HydrophobicContact CG-CB 4.16Å; E267-W375 WeakPolarHBondContact OE1-CB 3.37Å; E267-W375 PolarHBondContact OE1-N 3.09Å; G373-W375 PolarHBondContact O-N 2.85Å; W375-P377 HydrophobicContact CH2-CB 3.87Å; W375-P377 HydrophobicContact CH2-CG 3.63Å; W375-P377 HydrophobicContact CZ2-CB 4.31Å; W375-P377 HydrophobicContact CZ2-CG 4.45Å; W375-P377 HydrophobicContact CZ3-CB 4.41Å; W375-P377 HydrophobicContact CZ3-CG 3.69Å
376	T	90.2	Very high	90.8	Very high	100 Å²	100	78.4 Å²	78.4	61%	0.613	41%	0.408	S	S	*	.			trans	-121.1	140.8	169	57.9	0	0	0	0	109.1
377	P	92.4	Very high	90.7	Very high	36 Å²	36	80.8 Å²	80.8	23%	0.234	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-55.2	153.9	171.7	-20.2	29.9	0	0	0	112.1	D255 W375	D255-P377 HydrophobicContact CB-CB 3.91Å; D255-P377 HydrophobicContact CB-CG 4.04Å; W375-P377 HydrophobicContact CH2-CB 3.87Å; W375-P377 HydrophobicContact CH2-CG 3.63Å; W375-P377 HydrophobicContact CZ2-CB 4.31Å; W375-P377 HydrophobicContact CZ2-CG 4.45Å; W375-P377 HydrophobicContact CZ3-CB 4.41Å; W375-P377 HydrophobicContact CZ3-CG 3.69Å
378	R	91.4	Very high	90.4	Very high	183 Å²	183	78 Å²	78	69%	0.691	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-60.2	140.6	168	-72.2	161.4	-171.2	-159.6	1.1	110.3	D256 D259	D256-R378 WeakPolarHBondContact CB-O 3.48Å; D256-R378 PolarHBondContact N-O 2.9Å; D259-R378 WeakPolarHBondContact OD2-CB 3.38Å; D259-R378 WeakPolarHBondContact OD2-CD 3.48Å; D259-R378 WeakPolarHBondContact OD2-CG 3.38Å; D259-R378 PolarHBondContact OD2-N 2.87Å; D259-R378 IonicContact OD2-NE 3.38Å
379	K	93.3	Very high	90.3	Very high	116 Å²	116	83.7 Å²	83.7	50%	0.504	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.6	170.2	-62.4	-54.5	-171.1	-169.4	0	110.1	E253 I254 D255	E253-K379 HydrophobicContact CB-CB 4.16Å; I254-K379 CarbonylContact O-C 3.53Å; I254-K379 WeakPolarHBondContact O-CA 3.36Å; D255-K379 WeakPolarHBondContact OD1-CE 3.3Å; D255-K379 IonicContact OD1-NZ 2.65Å; D255-K379 PolarHBondContact OD1-NZ 2.73Å; D255-K379 IonicContact OD2-NZ 2.82Å; D255-K379 PolarHBondContact OD2-NZ 2.83Å
380	I	92.2	Very high	90.3	Very high	53 Å²	53	81.2 Å²	81.2	27%	0.272	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.7	172.6	54.9	168.1	0	0	0	110.4	E253 I254 D256 N382	E253-I380 CarbonylContact C-O 3.58Å; E253-I380 VanDerWaalsContact CA-O 3.23Å; E253-I380 WeakPolarHBondContact CA-O 3.19Å; I254-I380 HydrophobicContact CD1-CD1 4.46Å; I254-I380 HydrophobicContact CG1-CD1 4.27Å; I254-I380 HydrophobicContact CG1-CG1 3.85Å; I254-I380 PolarHBondContact N-O 3.26Å; I254-I380 PolarHBondContact O-N 2.72Å; D256-I380 HydrophobicContact CB-CD1 4.15Å; D256-I380 HydrophobicContact CB-CG1 4.13Å; D256-I380 HydrophobicContact CB-CG2 3.84Å; I380-N382 PolarHBondContact O-N 3.43Å
381	P	92.5	Very high	90.2	Very high	108 Å²	108	76 Å²	76	70%	0.701	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.9	129.4	174	-24.1	34.4	0	0	0	111.2	P383	P381-P383 WeakPolarHBondContact O-CD 3.32Å
382	N	90.1	Very high	90.2	Very high	16 Å²	16	71.9 Å²	71.9	9%	0.086	36%	0.357	C	S	.	.			trans	-73.2	115.7	-176.7	-179.6	0.8	0	0	0	110.7	P251 K252 I254 I380 H384 Y385	P251-N382 VanDerWaalsContact O-CB 3.23Å; P251-N382 WeakPolarHBondContact O-CB 3.43Å; P251-N382 PolarHBondContact O-ND2 3.13Å; K252-N382 WeakPolarHBondContact O-CB 3.33Å; K252-N382 PolarHBondContact O-N 3.18Å; I254-N382 HydrophobicContact CG1-CB 4.33Å; I254-N382 HydrophobicContact CG2-CB 3.95Å; I380-N382 PolarHBondContact O-N 3.43Å; N382-H384 PolarHBondContact O-N 2.65Å; N382-H384 VanDerWaalsContact O-N 3.13Å; N382-H384 WeakPolarHBondContact OD1-CB 3.22Å; N382-H384 PolarHBondContact OD1-N 3.13Å; N382-Y385 VanDerWaalsContact O-CB 3.27Å; N382-Y385 WeakPolarHBondContact O-CB 3.29Å; N382-Y385 PolarHBondContact O-N 3.49Å
383	P	86.7	Confident	90.3	Very high	92 Å²	92	73 Å²	73	60%	0.597	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.5	179.1	29.7	-36.4	0	0	0	113.1	P381	P381-P383 WeakPolarHBondContact O-CD 3.32Å
384	H	86.8	Confident	90.2	Very high	94 Å²	94	74.6 Å²	74.6	44%	0.435	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6	177.1	-54.2	-41.9	0	0	0	113.1	N186 T189 P250 N382 F386	N186-H384 PolarHBondContact ND2-O 3.37Å; T189-H384 HydrophobicContact CG2-CB 4.39Å; T189-H384 WeakPolarHBondContact CG2-ND1 3.43Å; P250-H384 WeakPolarHBondContact CG-O 3.22Å; N382-H384 PolarHBondContact O-N 2.65Å; N382-H384 VanDerWaalsContact O-N 3.13Å; N382-H384 WeakPolarHBondContact OD1-CB 3.22Å; N382-H384 PolarHBondContact OD1-N 3.13Å; H384-F386 PolarHBondContact O-N 3.16Å
385	Y	88.3	Confident	90.2	Very high	69 Å²	69	69.2 Å²	69.2	27%	0.271	34%	0.342	S	S	.	.			trans	-61.6	130.1	179.1	180	-109.6	0	0	0	112.8	N188 P250 K252 N382 E387	N188-Y385 PolarHBondContact ND2-O 3Å; P250-Y385 VanDerWaalsContact O-CD2 3.28Å; P250-Y385 WeakPolarHBondContact O-CD2 3.44Å; P250-Y385 WeakPolarHBondContact O-CE2 3.15Å; K252-Y385 HydrophobicContact CB-CD2 4.36Å; K252-Y385 HydrophobicContact CB-CE2 4.42Å; K252-Y385 HydrophobicContact CD-CE2 4.42Å; K252-Y385 WeakPolarHBondContact CE-OH 3.38Å; K252-Y385 HydrophobicContact CG-CD1 4.49Å; K252-Y385 HydrophobicContact CG-CD2 3.78Å; K252-Y385 HydrophobicContact CG-CE1 4.13Å; K252-Y385 HydrophobicContact CG-CE2 3.39Å; K252-Y385 HydrophobicContact CG-CG 4.33Å; N382-Y385 VanDerWaalsContact O-CB 3.27Å; N382-Y385 WeakPolarHBondContact O-CB 3.29Å; N382-Y385 PolarHBondContact O-N 3.49Å; Y385-E387 PolarHBondContact OH-OE2 3.14Å
386	F	90.2	Very high	90.2	Very high	13 Å²	13	67.9 Å²	67.9	6%	0.057	34%	0.342	C	S	.	.			trans	-141.9	160.1	166.8	67.5	-90.8	0	0	0	110	H184 N186 P187 V248 P250 H384 E388	H184-F386 AromaticContact CE1-CE2 3.5Å; H184-F386 AromaticContact CE1-CZ 3.62Å; H184-F386 AromaticContact ND1-CE2 3.98Å; H184-F386 AromaticContact ND1-CZ 3.62Å; N186-F386 HydrophobicContact CB-CE1 3.95Å; N186-F386 WeakPolarHBondContact ND2-CE1 2.98Å; P187-F386 HydrophobicContact CG-CB 3.87Å; P187-F386 HydrophobicContact CG-CD1 4.24Å; P187-F386 HydrophobicContact CG-CD2 4Å; P187-F386 HydrophobicContact CG-CG 3.77Å; V248-F386 HydrophobicContact CG1-CE2 4.49Å; V248-F386 WeakPolarHBondContact O-CZ 3.19Å; P250-F386 HydrophobicContact CG-CD1 3.74Å; P250-F386 HydrophobicContact CG-CE1 3.71Å; P250-F386 HydrophobicContact CG-CZ 4.48Å; H384-F386 PolarHBondContact O-N 3.16Å; F386-E388 HydrophobicContact CD2-CB 4.07Å; F386-E388 HydrophobicContact CE2-CB 3.88Å
387	E	90	Very high	90.4	Very high	109 Å²	109	66.9 Å²	66.9	51%	0.509	33%	0.33	S	S	.	.			trans	-121.6	97.6	176.3	-171.5	-178.7	130.7	0	0	108.7	Y385 K389	Y385-E387 PolarHBondContact OH-OE2 3.14Å; E387-K389 WeakPolarHBondContact OE1-CE 3.41Å; E387-K389 IonicContact OE1-NZ 3.51Å; E387-K389 PolarHBondContact OE1-NZ 2.99Å
388	E	87.1	Confident	90.5	Very high	44 Å²	44	65.1 Å²	65.1	21%	0.206	32%	0.319	C	S	.	.			trans	-90	140	168.6	-178.7	56.5	-87.7	0	0	109.7	V248 N249 F386 D390 P391 S394	V248-E388 HydrophobicContact CG1-CB 4.17Å; V248-E388 HydrophobicContact CG1-CG 4.43Å; N249-E388 PolarHBondContact ND2-O 2.62Å; N249-E388 PolarHBondContact OD1-N 3.17Å; N249-E388 PolarHBondContact OD1-O 2.62Å; F386-E388 HydrophobicContact CD2-CB 4.07Å; F386-E388 HydrophobicContact CE2-CB 3.88Å; E388-D390 PolarHBondContact OE1-N 2.97Å; E388-P391 HydrophobicContact CG-CB 4.32Å; E388-S394 WeakPolarHBondContact OE2-CB 3.11Å; E388-S394 PolarHBondContact OE2-OG 3.03Å
389	K	89.4	Confident	90.6	Very high	131 Å²	131	59.2 Å²	59.2	57%	0.57	30%	0.301	S	S	*	.	S	Bend	trans	-114.3	-30.7	-177.7	-60.9	-171.8	-177.7	-166.2	0	112.5	N224 E387 P391	N224-K389 PolarHBondContact ND2-O 3.48Å; E387-K389 WeakPolarHBondContact OE1-CE 3.41Å; E387-K389 IonicContact OE1-NZ 3.51Å; E387-K389 PolarHBondContact OE1-NZ 2.99Å; K389-P391 WeakPolarHBondContact O-CD 3.25Å
390	D	89.9	Confident	90.7	Very high	59 Å²	59	53.7 Å²	53.7	32%	0.316	28%	0.277	S	S	.	.			trans	-122	59.3	-178.1	-70.3	-17.8	0	0	0	110.9	E388 F392 K393 S394	E388-D390 PolarHBondContact OE1-N 2.97Å; D390-F392 PolarHBondContact O-N 2.84Å; D390-K393 HydrophobicContact CB-CB 4.34Å; D390-K393 HydrophobicContact CB-CD 3.95Å; D390-K393 HydrophobicContact CB-CG 4.27Å; D390-K393 PolarHBondContact O-N 3.18Å; D390-K393 IonicContact OD2-NZ 3.28Å; D390-K393 PolarHBondContact OD2-NZ 2.62Å; D390-S394 PolarHBondContact O-N 3.09Å
391	P	90.3	Very high	90.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-31.4	-178.9	20.4	-34.3	0	0	0	113.8	N224 L240 L241 V248 E388 K389 K393 S394 L395	N224-P391 HydrophobicContact CB-CG 4.19Å; N224-P391 WeakPolarHBondContact OD1-CD 3.39Å; N224-P391 WeakPolarHBondContact OD1-CG 3.38Å; L240-P391 HydrophobicContact CB-CG 3.93Å; L240-P391 HydrophobicContact CD1-CG 4.38Å; L241-P391 HydrophobicContact CD2-CG 3.75Å; L241-P391 HydrophobicContact CG-CG 4.09Å; V248-P391 HydrophobicContact CG1-CB 4.13Å; V248-P391 HydrophobicContact CG2-CB 4.3Å; E388-P391 HydrophobicContact CG-CB 4.32Å; K389-P391 WeakPolarHBondContact O-CD 3.25Å; P391-K393 VanDerWaalsContact C-N 3.33Å; P391-K393 PolarHBondContact O-N 3.35Å; P391-S394 PolarHBondContact O-N 3.39Å; P391-L395 WeakPolarHBondContact O-CG 3.5Å; P391-L395 PolarHBondContact O-N 3Å
392	F	91.7	Very high	91	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-45	174.8	179.3	-93.7	0	0	0	112.5	F119 T121 L124 L220 R221 N224 L240 D390 L395	F119-F392 HydrophobicContact CB-CD1 4.17Å; F119-F392 HydrophobicContact CB-CE1 3.94Å; F119-F392 HydrophobicContact CB-CZ 4.25Å; F119-F392 WeakPolarHBondContact CB-O 3.33Å; F119-F392 HydrophobicContact CD1-CD2 4.38Å; F119-F392 AromaticContact CD1-CE2 3.98Å; F119-F392 HydrophobicContact CD1-CE2 3.98Å; F119-F392 HydrophobicContact CD1-CZ 4.11Å; F119-F392 WeakPolarHBondContact O-CE1 3.43Å; T121-F392 VanDerWaalsContact O-CE1 3.25Å; T121-F392 WeakPolarHBondContact O-CE1 2.86Å; L124-F392 HydrophobicContact CB-CE2 4.44Å; L124-F392 HydrophobicContact CB-CZ 4.43Å; L220-F392 HydrophobicContact CB-CD2 4.11Å; L220-F392 HydrophobicContact CB-CE2 3.72Å; R221-F392 WeakPolarHBondContact O-CD2 3.43Å; N224-F392 PolarHBondContact OD1-N 3.3Å; N224-F392 VanDerWaalsContact OD1-N 3.16Å; L240-F392 HydrophobicContact CD1-CB 4.09Å; D390-F392 PolarHBondContact O-N 2.84Å; F392-L395 WeakPolarHBondContact O-CB 3.47Å; F392-L395 WeakPolarHBondContact O-CG 3.31Å
393	K	89.5	Confident	91.3	Very high	115 Å²	115	45.8 Å²	45.8	50%	0.5	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.2	-177.8	-60.3	174.2	-165.5	156.3	0	112.7	D390 P391 L395	D390-K393 HydrophobicContact CB-CB 4.34Å; D390-K393 HydrophobicContact CB-CD 3.95Å; D390-K393 HydrophobicContact CB-CG 4.27Å; D390-K393 PolarHBondContact O-N 3.18Å; D390-K393 IonicContact OD2-NZ 3.28Å; D390-K393 PolarHBondContact OD2-NZ 2.62Å; P391-K393 VanDerWaalsContact C-N 3.33Å; P391-K393 PolarHBondContact O-N 3.35Å; K393-L395 VanDerWaalsContact C-N 3.29Å
394	S	88.4	Confident	91.6	Very high	54 Å²	54	42 Å²	42	38%	0.378	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.3	177.9	-66.4	0	0	0	0	113.6	E388 D390 P391	E388-S394 WeakPolarHBondContact OE2-CB 3.11Å; E388-S394 PolarHBondContact OE2-OG 3.03Å; D390-S394 PolarHBondContact O-N 3.09Å; P391-S394 PolarHBondContact O-N 3.39Å
395	L	91.5	Very high	91.9	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.063	18%	0.183	C	C	.	.	S	Bend	trans	-65.1	138.9	172.6	-69.1	-179.1	0	0	0	111.9	F119 T164 I165 F182 P391 F392 K393 E397	F119-L395 HydrophobicContact CD1-CB 4.29Å; F119-L395 HydrophobicContact CD1-CD1 3.76Å; F119-L395 HydrophobicContact CD2-CB 3.67Å; F119-L395 HydrophobicContact CE1-CB 4.38Å; F119-L395 HydrophobicContact CE1-CD1 3.6Å; F119-L395 HydrophobicContact CE2-CB 3.79Å; F119-L395 HydrophobicContact CE2-CD1 4.47Å; F119-L395 HydrophobicContact CG-CB 3.94Å; F119-L395 HydrophobicContact CG-CD1 4.26Å; F119-L395 HydrophobicContact CZ-CB 4.15Å; F119-L395 HydrophobicContact CZ-CD1 3.99Å; T164-L395 HydrophobicContact CG2-CB 3.83Å; T164-L395 HydrophobicContact CG2-CD2 4.14Å; T164-L395 HydrophobicContact CG2-CG 4.37Å; I165-L395 HydrophobicContact CD1-CD1 4.32Å; F182-L395 HydrophobicContact CB-CD2 4.12Å; F182-L395 HydrophobicContact CD2-CD2 3.6Å; F182-L395 HydrophobicContact CE2-CD2 4.34Å; F182-L395 HydrophobicContact CG-CD2 4.15Å; P391-L395 WeakPolarHBondContact O-CG 3.5Å; P391-L395 PolarHBondContact O-N 3Å; F392-L395 WeakPolarHBondContact O-CB 3.47Å; F392-L395 WeakPolarHBondContact O-CG 3.31Å; K393-L395 VanDerWaalsContact C-N 3.29Å; L395-E397 PolarHBondContact O-N 3.23Å
396	A	92.2	Very high	92	Very high	22 Å²	22	38.2 Å²	38.2	18%	0.182	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-66.1	133.3	176.9	0	0	0	0	0	111.4	F119 T164 Y192	F119-A396 WeakPolarHBondContact CE2-O 3.45Å; T164-A396 WeakPolarHBondContact CB-O 3.12Å; T164-A396 WeakPolarHBondContact CG2-O 3.48Å; T164-A396 PolarHBondContact OG1-O 2.94Å; Y192-A396 HydrophobicContact CE1-CB 4.35Å
397	E	94.1	Very high	92	Very high	78 Å²	78	37.6 Å²	37.6	36%	0.364	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-49.2	148.7	179.2	-54.3	-169.3	177.9	0	0	111.8	I117 K118 S147 A148 L395	I117-E397 CarbonylContact O-C 3.57Å; I117-E397 WeakPolarHBondContact O-CA 3.41Å; I117-E397 WeakPolarHBondContact O-CB 3.44Å; K118-E397 HydrophobicContact CG-CG 4.17Å; K118-E397 IonicContact NZ-OE1 3.06Å; K118-E397 PolarHBondContact NZ-OE1 3.04Å; K118-E397 IonicContact NZ-OE2 2.69Å; K118-E397 PolarHBondContact NZ-OE2 3.43Å; S147-E397 CarbonylContact C-O 3.49Å; S147-E397 WeakPolarHBondContact CA-O 3.47Å; A148-E397 HydrophobicContact CB-CB 3.8Å; A148-E397 WeakPolarHBondContact CB-O 3.1Å; A148-E397 PolarHBondContact N-O 2.83Å; L395-E397 PolarHBondContact O-N 3.23Å
398	V	95.5	Very high	92	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.5	-179.2	177	0	0	0	0	110.5	L113 P116 I117 F119 L145 L146 T164 A400	L113-V398 HydrophobicContact CD1-CB 4.38Å; L113-V398 HydrophobicContact CD1-CG1 3.81Å; P116-V398 CarbonylContact C-O 3.48Å; P116-V398 VanDerWaalsContact CA-O 3.26Å; P116-V398 WeakPolarHBondContact CA-O 3.27Å; I117-V398 HydrophobicContact CB-CB 4.2Å; I117-V398 HydrophobicContact CD1-CB 4.26Å; I117-V398 HydrophobicContact CD1-CG1 4.38Å; I117-V398 PolarHBondContact N-O 3.32Å; I117-V398 PolarHBondContact O-N 3.14Å; F119-V398 HydrophobicContact CE2-CG2 4Å; F119-V398 HydrophobicContact CZ-CG2 3.97Å; L145-V398 HydrophobicContact CB-CG1 3.75Å; L145-V398 HydrophobicContact CB-CG2 4.02Å; L145-V398 HydrophobicContact CD2-CG1 4.32Å; L145-V398 HydrophobicContact CD2-CG2 4.45Å; L145-V398 HydrophobicContact CG-CG1 4.3Å; L146-V398 WeakPolarHBondContact O-CA 3.36Å; L146-V398 WeakPolarHBondContact O-CG1 3.28Å; T164-V398 HydrophobicContact CG2-CG2 4.31Å; V398-A400 WeakPolarHBondContact CG1-O 3.41Å
399	N	94.1	Very high	92.1	Very high	58 Å²	58	35.6 Å²	35.6	31%	0.31	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-19.4	-179.4	-79.5	1.1	0	0	0	114.7	L113 P116 L146 A148 L152	L113-N399 PolarHBondContact N-O 3.45Å; P116-N399 WeakPolarHBondContact CB-OD1 3.29Å; L146-N399 PolarHBondContact O-N 3.19Å; A148-N399 HydrophobicContact CB-CB 4.4Å; A148-N399 VanDerWaalsContact CB-CG 3.49Å; A148-N399 WeakPolarHBondContact CB-ND2 3.33Å; A148-N399 WeakPolarHBondContact CB-OD1 3.35Å; L152-N399 HydrophobicContact CD2-CB 4.07Å
400	A	95.3	Very high	92.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.3	-175	0	0	0	0	0	111.4	T111 L145 L146 L152 L154 V398	T111-A400 CarbonylContact O-C 3.54Å; T111-A400 VanDerWaalsContact O-CA 3.24Å; T111-A400 WeakPolarHBondContact O-CA 3.33Å; T111-A400 WeakPolarHBondContact O-CB 3.38Å; L145-A400 CarbonylContact C-O 3.59Å; L146-A400 HydrophobicContact CB-CB 4.15Å; L146-A400 HydrophobicContact CD1-CB 4.1Å; L146-A400 HydrophobicContact CG-CB 4.37Å; L146-A400 PolarHBondContact N-O 3.25Å; L152-A400 HydrophobicContact CD2-CB 4.23Å; L154-A400 HydrophobicContact CD1-CB 4.48Å; L154-A400 HydrophobicContact CD2-CB 3.85Å; V398-A400 WeakPolarHBondContact CG1-O 3.41Å
401	I	96	Very high	92.3	Very high	6 Å²	6	29 Å²	29	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.6	166.1	-169.1	176.3	0	0	0	108.4	L47 S110 T111 I143 K144 F417	L47-I401 HydrophobicContact CD2-CB 4.33Å; L47-I401 HydrophobicContact CD2-CD1 4.34Å; L47-I401 HydrophobicContact CD2-CG2 3.57Å; S110-I401 CarbonylContact C-O 3.59Å; S110-I401 WeakPolarHBondContact CA-O 3.37Å; S110-I401 WeakPolarHBondContact CB-O 3.45Å; T111-I401 HydrophobicContact CG2-CG2 3.47Å; T111-I401 VanDerWaalsContact CG2-CG2 3.47Å; T111-I401 PolarHBondContact N-O 3.43Å; T111-I401 PolarHBondContact O-N 3.2Å; I143-I401 HydrophobicContact CB-CD1 4.03Å; I143-I401 HydrophobicContact CB-CG1 4.21Å; I143-I401 HydrophobicContact CD1-CD1 3.83Å; I143-I401 HydrophobicContact CG2-CD1 4.09Å; K144-I401 CarbonylContact O-C 3.58Å; K144-I401 WeakPolarHBondContact O-CA 2.89Å; I401-F417 HydrophobicContact CD1-CD1 4.1Å
402	G	95.1	Very high	92.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.5	172.7	0	0	0	0	0	112.5	V109 K144	V109-G402 CarbonylContact O-C 3.51Å; V109-G402 VanDerWaalsContact O-CA 3.22Å; V109-G402 WeakPolarHBondContact O-CA 3.18Å; K144-G402 PolarHBondContact N-O 3.48Å; K144-G402 PolarHBondContact O-N 3.43Å
403	L	95.8	Very high	92.6	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111	167.4	-57.6	96.2	0	0	0	106.7	W82 L98 A108 V109 I143 L405 F414 F417	W82-L403 HydrophobicContact CH2-CB 4.16Å; W82-L403 HydrophobicContact CH2-CD2 4.48Å; W82-L403 HydrophobicContact CZ2-CB 4.28Å; L98-L403 HydrophobicContact CD2-CD1 4.41Å; A108-L403 VanDerWaalsContact CA-O 3.3Å; A108-L403 WeakPolarHBondContact CA-O 3.35Å; V109-L403 HydrophobicContact CG1-CB 4.13Å; V109-L403 HydrophobicContact CG1-CD1 3.92Å; V109-L403 PolarHBondContact N-O 2.89Å; V109-L403 PolarHBondContact O-N 3.39Å; I143-L403 HydrophobicContact CG2-CD2 4.17Å; I143-L403 HydrophobicContact CG2-CG 4.13Å; L403-L405 HydrophobicContact CB-CD1 4.15Å; L403-L405 HydrophobicContact CB-CG 4.26Å; L403-L405 HydrophobicContact CD2-CD1 4.27Å; L403-F414 HydrophobicContact CD2-CD1 3.54Å; L403-F414 HydrophobicContact CD2-CD2 4.18Å; L403-F414 HydrophobicContact CD2-CE1 3.58Å; L403-F414 HydrophobicContact CD2-CE2 4.23Å; L403-F414 HydrophobicContact CD2-CG 3.86Å; L403-F414 HydrophobicContact CD2-CZ 3.95Å; L403-F417 HydrophobicContact CD1-CE1 4.23Å; L403-F417 HydrophobicContact CD1-CZ 4.05Å; L403-F417 HydrophobicContact CD2-CE1 4.26Å; L403-F417 HydrophobicContact CD2-CZ 4.18Å
404	E	93.6	Very high	92.9	Very high	11 Å²	11	23.9 Å²	23.9	5%	0.051	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	106.3	170.4	-175.4	-85.7	127.5	0	0	106.8	Y78 H106 H107 A108 Y142 K144 F157	Y78-E404 HydrophobicContact CE1-CG 3.66Å; H106-E404 IonicContact ND1-OE1 3.82Å; H107-E404 WeakPolarHBondContact O-CA 3.41Å; A108-E404 HydrophobicContact CB-CG 4.45Å; Y142-E404 VanDerWaalsContact CE2-O 3.25Å; Y142-E404 WeakPolarHBondContact CE2-O 3.37Å; K144-E404 HydrophobicContact CD-CB 4.42Å; K144-E404 IonicContact NZ-OE2 3.03Å; K144-E404 PolarHBondContact NZ-OE2 3.1Å; F157-E404 HydrophobicContact CE1-CB 3.84Å; F157-E404 HydrophobicContact CE2-CB 4.25Å; F157-E404 HydrophobicContact CZ-CB 3.55Å
405	L	93.2	Very high	93.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.2	-164.1	-60.2	177.7	0	0	0	110.7	W82 L100 H107 G140 Y142 L403 F414	W82-L405 HydrophobicContact CH2-CD1 4.17Å; L100-L405 HydrophobicContact CD1-CD1 4.46Å; H107-L405 PolarHBondContact N-O 3.15Å; H107-L405 PolarHBondContact O-N 3.04Å; G140-L405 WeakPolarHBondContact O-CD2 3.29Å; Y142-L405 HydrophobicContact CD1-CD2 4.24Å; Y142-L405 HydrophobicContact CD2-CD2 3.91Å; Y142-L405 HydrophobicContact CE1-CD2 4.15Å; Y142-L405 HydrophobicContact CE2-CD2 3.77Å; Y142-L405 HydrophobicContact CG-CD2 4.14Å; Y142-L405 WeakPolarHBondContact O-CD2 3.48Å; L403-L405 HydrophobicContact CB-CD1 4.15Å; L403-L405 HydrophobicContact CB-CG 4.26Å; L403-L405 HydrophobicContact CD2-CD1 4.27Å; L405-F414 HydrophobicContact CD1-CE1 4.25Å; L405-F414 HydrophobicContact CD1-CE2 4.02Å; L405-F414 HydrophobicContact CD1-CZ 3.44Å; L405-F414 VanDerWaalsContact CD1-CZ 3.44Å
406	W	89.4	Confident	93.3	Very high	84 Å²	84	21 Å²	21	32%	0.318	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.3	159.2	174.5	-103	0	0	0	108.4	A104 K105 H106 G139 G140 M408	A104-W406 VanDerWaalsContact C-CZ3 3.44Å; A104-W406 HydrophobicContact CB-CH2 4.08Å; A104-W406 HydrophobicContact CB-CZ2 4.15Å; A104-W406 WeakPolarHBondContact O-CH2 3.45Å; A104-W406 WeakPolarHBondContact O-CZ3 3.44Å; K105-W406 VanDerWaalsContact C-CZ3 3.45Å; K105-W406 VanDerWaalsContact CA-CZ3 3.45Å; H106-W406 HydrophobicContact CB-CE3 4.45Å; H106-W406 AromaticContact CD2-CE3 3.58Å; H106-W406 AromaticContact CD2-CZ3 3.84Å; H106-W406 AromaticContact CE1-CE3 3.74Å; H106-W406 AromaticContact CG-CE3 3.71Å; H106-W406 AromaticContact ND1-CE3 3.83Å; H106-W406 AromaticContact NE2-CE3 3.63Å; G139-W406 WeakPolarHBondContact CA-O 3.43Å; G140-W406 PolarHBondContact N-O 3.07Å; W406-M408 HydrophobicContact CZ2-SD 3.91Å
407	S	89.7	Confident	93.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	137.7	173.2	-173.4	0	0	0	0	111.6	A104 T409	A104-S407 WeakPolarHBondContact CA-O 3.43Å; A104-S407 PolarHBondContact N-O 2.86Å; S407-T409 WeakPolarHBondContact CB-O 3.16Å; S407-T409 PolarHBondContact OG-N 3.26Å; S407-T409 VanDerWaalsContact OG-N 3.12Å; S407-T409 PolarHBondContact OG-O 2.96Å
408	M	90.4	Very high	93.6	Very high	95 Å²	95	16.5 Å²	16.5	47%	0.468	8%	0.083	S	C	.	.	S	Bend	trans	-77.5	-25.8	168.6	-65	-62.3	-66.4	0	0	111.7	K103 A104 C138 W406	K103-M408 WeakPolarHBondContact CB-O 3.14Å; A104-M408 HydrophobicContact CB-CE 4.27Å; A104-M408 HydrophobicContact CB-SD 3.91Å; C138-M408 HydrophobicContact CB-CB 4.5Å; C138-M408 HydrophobicContact CB-CG 4.07Å; C138-M408 WeakPolarHBondContact O-CB 3.37Å; C138-M408 PolarHBondContact O-N 3.42Å; W406-M408 HydrophobicContact CZ2-SD 3.91Å
409	T	89.6	Confident	93.7	Very high	17 Å²	17	16.6 Å²	16.6	10%	0.104	8%	0.083	C	C	.	.	S	Bend	trans	-107.3	140.9	-178.4	-41.4	0	0	0	0	110.7	S407	S407-T409 WeakPolarHBondContact CB-O 3.16Å; S407-T409 PolarHBondContact OG-N 3.26Å; S407-T409 VanDerWaalsContact OG-N 3.12Å; S407-T409 PolarHBondContact OG-O 2.96Å
410	D	91.2	Very high	93.8	Very high	42 Å²	42	13.9 Å²	13.9	23%	0.225	7%	0.069	C	C	.	.			trans	-91.7	-175.8	170.2	54.5	2.8	0	0	0	110.6	K103 I412	K103-D410 WeakPolarHBondContact CE-OD1 3.31Å; K103-D410 WeakPolarHBondContact CE-OD2 3.03Å; K103-D410 HydrophobicContact CG-CB 3.93Å; K103-D410 IonicContact NZ-OD1 3.84Å; D410-I412 VanDerWaalsContact C-N 3.3Å; D410-I412 PolarHBondContact O-N 2.79Å
411	G	91.1	Very high	93.7	Very high	9 Å²	9	15.9 Å²	15.9	9%	0.093	8%	0.079	C	C	.	.			trans	77.2	9.7	176.5	0	0	0	0	0	114.9	L100 Q133 A413	L100-G411 PolarHBondContact O-N 3.36Å; Q133-G411 WeakPolarHBondContact CB-O 3.47Å; Q133-G411 VanDerWaalsContact CG-O 3.25Å; Q133-G411 WeakPolarHBondContact CG-O 3.44Å; Q133-G411 PolarHBondContact N-O 2.67Å; Q133-G411 PolarHBondContact NE2-O 2.91Å; G411-A413 PolarHBondContact O-N 2.68Å
412	I	94.1	Very high	93.6	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	118.3	169.5	-45.6	178.2	0	0	0	108.2	V99 L100 V130 F132 I136 A141 D410 F414	V99-I412 WeakPolarHBondContact CA-O 3.5Å; L100-I412 HydrophobicContact CB-CB 4.25Å; L100-I412 PolarHBondContact N-O 2.8Å; V130-I412 HydrophobicContact CG1-CG2 3.85Å; F132-I412 HydrophobicContact CD1-CD1 4.47Å; F132-I412 HydrophobicContact CD1-CG1 4.18Å; F132-I412 HydrophobicContact CD1-CG2 3.99Å; F132-I412 HydrophobicContact CE1-CD1 4.41Å; F132-I412 HydrophobicContact CE1-CG2 4Å; I136-I412 HydrophobicContact CD1-CD1 3.61Å; I136-I412 HydrophobicContact CD1-CG1 4.43Å; A141-I412 HydrophobicContact CB-CG2 4.1Å; D410-I412 VanDerWaalsContact C-N 3.3Å; D410-I412 PolarHBondContact O-N 2.79Å; I412-F414 HydrophobicContact CB-CE2 4.06Å; I412-F414 HydrophobicContact CB-CZ 4.41Å; I412-F414 HydrophobicContact CG2-CD2 4.33Å; I412-F414 HydrophobicContact CG2-CE1 4.32Å; I412-F414 HydrophobicContact CG2-CE2 3.55Å; I412-F414 HydrophobicContact CG2-CZ 3.54Å
413	A	94.7	Very high	93.5	Very high	4 Å²	4	19 Å²	19	3%	0.033	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.2	178.6	0	0	0	0	0	110.7	P87 A97 L98 V99 V130 K131 G411	P87-A413 HydrophobicContact CG-CB 4.15Å; A97-A413 HydrophobicContact CB-CB 3.97Å; L98-A413 CarbonylContact O-C 3.56Å; L98-A413 WeakPolarHBondContact O-CA 3.28Å; V99-A413 HydrophobicContact CG2-CB 3.98Å; V130-A413 WeakPolarHBondContact CA-O 3.31Å; K131-A413 HydrophobicContact CB-CB 4.34Å; K131-A413 PolarHBondContact N-O 2.94Å; K131-A413 PolarHBondContact O-N 3.34Å; G411-A413 PolarHBondContact O-N 2.68Å
414	F	96.1	Very high	93.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.3	179.1	-56.9	-97.1	0	0	0	110.7	W82 L98 Y128 D129 V130 A141 L403 L405 I412 F417	W82-F414 HydrophobicContact CH2-CD2 4.49Å; W82-F414 HydrophobicContact CH2-CE2 4.16Å; W82-F414 HydrophobicContact CZ3-CD2 4.04Å; W82-F414 HydrophobicContact CZ3-CE2 4.01Å; L98-F414 HydrophobicContact CB-CB 4.44Å; L98-F414 PolarHBondContact N-O 3.33Å; L98-F414 PolarHBondContact O-N 2.9Å; Y128-F414 HydrophobicContact CD2-CD1 4.28Å; Y128-F414 HydrophobicContact CE2-CD1 4.06Å; Y128-F414 HydrophobicContact CE2-CE1 4.37Å; D129-F414 WeakPolarHBondContact O-CA 3.47Å; V130-F414 HydrophobicContact CG1-CE1 4.35Å; V130-F414 HydrophobicContact CG2-CD1 3.92Å; V130-F414 HydrophobicContact CG2-CE1 4.04Å; A141-F414 HydrophobicContact CB-CE1 3.64Å; A141-F414 HydrophobicContact CB-CZ 3.71Å; L403-F414 HydrophobicContact CD2-CD1 3.54Å; L403-F414 HydrophobicContact CD2-CD2 4.18Å; L403-F414 HydrophobicContact CD2-CE1 3.58Å; L403-F414 HydrophobicContact CD2-CE2 4.23Å; L403-F414 HydrophobicContact CD2-CG 3.86Å; L403-F414 HydrophobicContact CD2-CZ 3.95Å; L405-F414 HydrophobicContact CD1-CE1 4.25Å; L405-F414 HydrophobicContact CD1-CE2 4.02Å; L405-F414 HydrophobicContact CD1-CZ 3.44Å; L405-F414 VanDerWaalsContact CD1-CZ 3.44Å; I412-F414 HydrophobicContact CB-CE2 4.06Å; I412-F414 HydrophobicContact CB-CZ 4.41Å; I412-F414 HydrophobicContact CG2-CD2 4.33Å; I412-F414 HydrophobicContact CG2-CE1 4.32Å; I412-F414 HydrophobicContact CG2-CE2 3.55Å; I412-F414 HydrophobicContact CG2-CZ 3.54Å; F414-F417 HydrophobicContact CB-CE1 4.5Å; F414-F417 HydrophobicContact CB-CE2 4.08Å; F414-F417 HydrophobicContact CB-CZ 3.58Å; F414-F417 HydrophobicContact CG-CZ 4.36Å
415	D	94.3	Very high	93.5	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.027	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	176.8	177.9	-167.6	27.5	0	0	0	112.5	F50 F51 A97 D129 F417 K437	F50-D415 WeakPolarHBondContact CA-OD1 3.45Å; F51-D415 WeakPolarHBondContact CD2-OD1 3.45Å; A97-D415 HydrophobicContact CB-CB 4.23Å; D129-D415 HydrophobicContact CB-CB 4.49Å; D129-D415 PolarHBondContact N-O 3.01Å; D129-D415 PolarHBondContact O-N 3Å; D415-F417 VanDerWaalsContact C-N 3.31Å; D415-F417 PolarHBondContact O-N 3.17Å; D415-K437 IonicContact OD2-NZ 2.9Å; D415-K437 PolarHBondContact OD2-NZ 2.99Å
416	N	94	Very high	93.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.8	38.5	168.8	-64.5	-49.4	0	0	0	115	L49 D129 L418 F429 K437	L49-N416 PolarHBondContact O-N 3.47Å; D129-N416 PolarHBondContact OD2-ND2 2.78Å; N416-L418 PolarHBondContact O-N 2.59Å; N416-F429 HydrophobicContact CB-CE1 4.06Å; N416-K437 VanDerWaalsContact ND2-CE 3.31Å; N416-K437 WeakPolarHBondContact ND2-CE 3.37Å; N416-K437 PolarHBondContact ND2-NZ 2.77Å
417	F	96.5	Very high	93.9	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.022	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	120.6	176.1	-53.2	-97	0	0	0	110.4	L47 V48 L49 F51 Q127 Y128 I143 I401 L403 F414 D415	L47-F417 HydrophobicContact CD2-CB 4.45Å; V48-F417 CarbonylContact C-O 3.58Å; V48-F417 WeakPolarHBondContact CA-O 3.5Å; L49-F417 HydrophobicContact CB-CB 4.21Å; L49-F417 HydrophobicContact CB-CD2 4.27Å; L49-F417 HydrophobicContact CD2-CD2 3.91Å; L49-F417 HydrophobicContact CD2-CE2 4.28Å; L49-F417 HydrophobicContact CG-CD2 4.21Å; L49-F417 PolarHBondContact N-O 3.01Å; L49-F417 PolarHBondContact O-N 2.86Å; F51-F417 HydrophobicContact CE2-CE2 4.34Å; Q127-F417 CarbonylContact O-C 3.46Å; Q127-F417 WeakPolarHBondContact O-CA 3.46Å; Y128-F417 HydrophobicContact CD2-CD1 4.21Å; Y128-F417 AromaticContact CD2-CE1 3.88Å; Y128-F417 HydrophobicContact CD2-CE1 3.88Å; Y128-F417 AromaticContact CG-CD1 4Å; Y128-F417 HydrophobicContact CG-CD1 4Å; Y128-F417 HydrophobicContact CG-CE1 4.16Å; I143-F417 HydrophobicContact CG2-CD1 4.29Å; I143-F417 HydrophobicContact CG2-CE1 3.82Å; I401-F417 HydrophobicContact CD1-CD1 4.1Å; L403-F417 HydrophobicContact CD1-CE1 4.23Å; L403-F417 HydrophobicContact CD1-CZ 4.05Å; L403-F417 HydrophobicContact CD2-CE1 4.26Å; L403-F417 HydrophobicContact CD2-CZ 4.18Å; F414-F417 HydrophobicContact CB-CE1 4.5Å; F414-F417 HydrophobicContact CB-CE2 4.08Å; F414-F417 HydrophobicContact CB-CZ 3.58Å; F414-F417 HydrophobicContact CG-CZ 4.36Å; D415-F417 VanDerWaalsContact C-N 3.31Å; D415-F417 PolarHBondContact O-N 3.17Å
418	L	96.6	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.3	177.6	173.7	66.2	0	0	0	109.6	P42 A45 V48 Q127 N416 V420 A426 F429	P42-L418 HydrophobicContact CG-CD1 4.23Å; A45-L418 HydrophobicContact CB-CD1 4.11Å; V48-L418 HydrophobicContact CG2-CD1 3.75Å; Q127-L418 HydrophobicContact CB-CB 4.4Å; Q127-L418 PolarHBondContact N-O 3.14Å; Q127-L418 PolarHBondContact O-N 2.86Å; N416-L418 PolarHBondContact O-N 2.59Å; L418-V420 HydrophobicContact CD1-CB 4.17Å; L418-V420 HydrophobicContact CD1-CG1 4.48Å; L418-V420 HydrophobicContact CD2-CG1 4.1Å; L418-V420 HydrophobicContact CG-CB 4.33Å; L418-V420 HydrophobicContact CG-CG1 4.15Å; L418-A426 HydrophobicContact CD2-CB 4Å; L418-F429 HydrophobicContact CB-CD1 4.19Å; L418-F429 HydrophobicContact CB-CE1 4.13Å; L418-F429 HydrophobicContact CD2-CB 3.75Å; L418-F429 HydrophobicContact CD2-CD1 3.75Å; L418-F429 HydrophobicContact CD2-CE1 4.48Å; L418-F429 HydrophobicContact CD2-CG 3.79Å
419	I	96.9	Very high	94.3	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.8	165.4	-52.3	179	0	0	0	108.7	A45 Y46 L47 L113 I117 L124 V125 I126 L145	A45-I419 CarbonylContact C-O 3.55Å; A45-I419 VanDerWaalsContact CA-O 3.32Å; A45-I419 WeakPolarHBondContact CA-O 3.46Å; Y46-I419 HydrophobicContact CD2-CG2 4.3Å; Y46-I419 HydrophobicContact CG-CG2 4.5Å; Y46-I419 PolarHBondContact N-O 2.95Å; L47-I419 HydrophobicContact CB-CB 4.33Å; L47-I419 HydrophobicContact CB-CD1 4.39Å; L47-I419 HydrophobicContact CB-CG1 4.29Å; L47-I419 HydrophobicContact CD2-CD1 4.37Å; L47-I419 PolarHBondContact N-O 2.73Å; L47-I419 PolarHBondContact O-N 2.94Å; L113-I419 HydrophobicContact CD2-CD1 3.98Å; I117-I419 HydrophobicContact CD1-CD1 4.48Å; I117-I419 HydrophobicContact CD1-CG2 3.83Å; L124-I419 HydrophobicContact CD1-CG2 3.76Å; V125-I419 CarbonylContact O-C 3.52Å; V125-I419 VanDerWaalsContact O-CA 3.31Å; V125-I419 WeakPolarHBondContact O-CA 3.13Å; I126-I419 HydrophobicContact CG1-CG1 4.26Å; I126-I419 HydrophobicContact CG1-CG2 4.02Å; I126-I419 HydrophobicContact CG2-CG1 4.33Å; L145-I419 HydrophobicContact CD2-CD1 4.38Å
420	V	95.6	Very high	94.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163.5	-171.2	68.1	0	0	0	0	111.8	P42 V125 L418 S422 A425 A426	P42-V420 HydrophobicContact CB-CG2 4.07Å; V125-V420 HydrophobicContact CB-CG1 4.11Å; V125-V420 PolarHBondContact N-O 3.18Å; V125-V420 PolarHBondContact O-N 3.24Å; L418-V420 HydrophobicContact CD1-CB 4.17Å; L418-V420 HydrophobicContact CD1-CG1 4.48Å; L418-V420 HydrophobicContact CD2-CG1 4.1Å; L418-V420 HydrophobicContact CG-CB 4.33Å; L418-V420 HydrophobicContact CG-CG1 4.15Å; V420-S422 WeakPolarHBondContact CG1-O 3.45Å; V420-A425 HydrophobicContact CG2-CB 4.05Å; V420-A426 HydrophobicContact CG1-CB 4.01Å
421	D	93.9	Very high	94.7	Very high	42 Å²	42	27.2 Å²	27.2	23%	0.225	13%	0.133	C	C	.	.	S	Bend	trans	-90.9	10.8	-178.8	57.5	-6.1	0	0	0	114.3	N44 Y46 T121 E123	N44-D421 VanDerWaalsContact CB-OD1 3.28Å; N44-D421 WeakPolarHBondContact CB-OD1 3.36Å; N44-D421 VanDerWaalsContact CB-OD2 3.29Å; N44-D421 WeakPolarHBondContact CB-OD2 3.25Å; N44-D421 PolarHBondContact ND2-OD2 2.97Å; Y46-D421 HydrophobicContact CE2-CB 4.31Å; T121-D421 HydrophobicContact CG2-CB 4.3Å; E123-D421 WeakPolarHBondContact O-CA 3.25Å
422	S	93.9	Very high	94.7	Very high	43 Å²	43	30.7 Å²	30.7	30%	0.301	15%	0.146	S	C	.	.			trans	-154.3	127.5	-178.2	-174.2	0	0	0	0	113.8	V420 R424 A425 A426	V420-S422 WeakPolarHBondContact CG1-O 3.45Å; S422-R424 VanDerWaalsContact C-N 3.29Å; S422-R424 PolarHBondContact O-N 2.9Å; S422-A425 PolarHBondContact O-N 2.86Å; S422-A426 PolarHBondContact O-N 3.45Å
423	K	94	Very high	94.6	Very high	29 Å²	29	30.8 Å²	30.8	13%	0.126	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-36.8	174.8	-178.6	55.5	161.4	73.6	0	113.2	E123 V125 V219 A425 A426 D427	E123-K423 WeakPolarHBondContact OE1-CB 3.27Å; E123-K423 PolarHBondContact OE1-N 3.33Å; V125-K423 HydrophobicContact CG1-CD 4.43Å; V125-K423 HydrophobicContact CG2-CB 4.13Å; V219-K423 HydrophobicContact CG2-CD 3.72Å; V219-K423 HydrophobicContact CG2-CG 4.43Å; K423-A425 VanDerWaalsContact C-N 3.34Å; K423-A425 PolarHBondContact O-N 2.88Å; K423-A426 PolarHBondContact O-N 2.99Å; K423-A426 VanDerWaalsContact O-N 3.17Å; K423-D427 IonicContact NZ-OD1 3.88Å; K423-D427 PolarHBondContact NZ-OD1 2.74Å; K423-D427 IonicContact NZ-OD2 2.68Å; K423-D427 PolarHBondContact NZ-OD2 3.35Å; K423-D427 PolarHBondContact O-N 2.01Å
424	R	94.4	Very high	94.5	Very high	174 Å²	174	31 Å²	31	66%	0.657	15%	0.147	S	C	*	.	H	α-helix	trans	-62	-42	178.3	-161	-169.1	77	-156.4	-5.7	111.8	S422 A426 D427 E428	S422-R424 VanDerWaalsContact C-N 3.29Å; S422-R424 PolarHBondContact O-N 2.9Å; R424-A426 VanDerWaalsContact C-N 3.33Å; R424-D427 PolarHBondContact O-N 3.26Å; R424-E428 WeakPolarHBondContact CD-OE1 3.41Å; R424-E428 WeakPolarHBondContact CG-OE1 3.4Å; R424-E428 IonicContact CZ-OE1 2.77Å; R424-E428 IonicContact NE-OE1 2.76Å; R424-E428 PolarHBondContact NE-OE1 3.11Å; R424-E428 IonicContact NH2-OE1 2.67Å; R424-E428 WeakPolarHBondContact O-CB 3.29Å; R424-E428 VanDerWaalsContact O-CG 3.27Å; R424-E428 WeakPolarHBondContact O-CG 3.43Å; R424-E428 PolarHBondContact O-N 3.42Å
425	A	94.2	Very high	94.4	Very high	16 Å²	16	32.6 Å²	32.6	13%	0.132	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-32.7	177.3	0	0	0	0	0	112.2	P42 V420 S422 K423 F429	P42-A425 HydrophobicContact CB-CB 4.25Å; P42-A425 HydrophobicContact CG-CB 4.35Å; V420-A425 HydrophobicContact CG2-CB 4.05Å; S422-A425 PolarHBondContact O-N 2.86Å; K423-A425 VanDerWaalsContact C-N 3.34Å; K423-A425 PolarHBondContact O-N 2.88Å; A425-F429 WeakPolarHBondContact O-CB 3.38Å; A425-F429 PolarHBondContact O-N 3.44Å
426	A	95.4	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.6	-36.5	173	0	0	0	0	0	112.9	V125 Q127 L418 V420 S422 K423 R424 A430	V125-A426 HydrophobicContact CB-CB 4.34Å; V125-A426 HydrophobicContact CG1-CB 3.62Å; Q127-A426 PolarHBondContact NE2-O 2.83Å; L418-A426 HydrophobicContact CD2-CB 4Å; V420-A426 HydrophobicContact CG1-CB 4.01Å; S422-A426 PolarHBondContact O-N 3.45Å; K423-A426 PolarHBondContact O-N 2.99Å; K423-A426 VanDerWaalsContact O-N 3.17Å; R424-A426 VanDerWaalsContact C-N 3.33Å; A426-A430 WeakPolarHBondContact O-CB 3.39Å; A426-A430 PolarHBondContact O-N 3.48Å
427	D	95.1	Very high	94.1	Very high	35 Å²	35	36 Å²	36	19%	0.187	18%	0.177	C	C	.	.	H	α-helix	trans	-71.6	-41.2	175.8	-69.6	-28.8	0	0	0	112.2	K423 R424 A430 Q431	K423-D427 IonicContact NZ-OD1 3.88Å; K423-D427 PolarHBondContact NZ-OD1 2.74Å; K423-D427 IonicContact NZ-OD2 2.68Å; K423-D427 PolarHBondContact NZ-OD2 3.35Å; K423-D427 PolarHBondContact O-N 2.01Å; R424-D427 PolarHBondContact O-N 3.26Å; D427-A430 PolarHBondContact O-N 3.46Å; D427-Q431 VanDerWaalsContact O-CG 3.29Å; D427-Q431 WeakPolarHBondContact O-CG 3.44Å; D427-Q431 PolarHBondContact O-N 2.87Å
428	E	94.6	Very high	93.8	Very high	85 Å²	85	38.1 Å²	38.1	40%	0.397	19%	0.186	S	C	.	.	H	α-helix	trans	-58.1	-48.1	171.3	-73.6	163.3	-168.6	0	0	110.2	R424 A430 Q431 E432	R424-E428 WeakPolarHBondContact CD-OE1 3.41Å; R424-E428 WeakPolarHBondContact CG-OE1 3.4Å; R424-E428 IonicContact CZ-OE1 2.77Å; R424-E428 IonicContact NE-OE1 2.76Å; R424-E428 PolarHBondContact NE-OE1 3.11Å; R424-E428 IonicContact NH2-OE1 2.67Å; R424-E428 WeakPolarHBondContact O-CB 3.29Å; R424-E428 VanDerWaalsContact O-CG 3.27Å; R424-E428 WeakPolarHBondContact O-CG 3.43Å; R424-E428 PolarHBondContact O-N 3.42Å; E428-A430 PolarHBondContact O-N 2.62Å; E428-Q431 PolarHBondContact O-N 3.3Å; E428-E432 PolarHBondContact O-N 3.23Å
429	F	94.6	Very high	93.4	Very high	3 Å²	3	42 Å²	42	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-40	176.2	-174.6	-94	0	0	0	112.9	P39 V48 N416 L418 A425 Q431 E432 T433	P39-F429 HydrophobicContact CB-CD2 4.02Å; P39-F429 HydrophobicContact CB-CE2 3.75Å; P39-F429 HydrophobicContact CB-CZ 4.5Å; P39-F429 HydrophobicContact CG-CD2 4.25Å; P39-F429 HydrophobicContact CG-CE2 3.47Å; P39-F429 VanDerWaalsContact CG-CE2 3.47Å; P39-F429 HydrophobicContact CG-CZ 3.94Å; V48-F429 HydrophobicContact CG1-CE2 3.84Å; V48-F429 HydrophobicContact CG1-CZ 3.93Å; N416-F429 HydrophobicContact CB-CE1 4.06Å; L418-F429 HydrophobicContact CB-CD1 4.19Å; L418-F429 HydrophobicContact CB-CE1 4.13Å; L418-F429 HydrophobicContact CD2-CB 3.75Å; L418-F429 HydrophobicContact CD2-CD1 3.75Å; L418-F429 HydrophobicContact CD2-CE1 4.48Å; L418-F429 HydrophobicContact CD2-CG 3.79Å; A425-F429 WeakPolarHBondContact O-CB 3.38Å; A425-F429 PolarHBondContact O-N 3.44Å; F429-Q431 VanDerWaalsContact C-N 3.3Å; F429-Q431 PolarHBondContact O-N 2.87Å; F429-E432 PolarHBondContact O-N 2.85Å; F429-T433 HydrophobicContact CD1-CG2 4.35Å; F429-T433 HydrophobicContact CE1-CG2 4.02Å; F429-T433 HydrophobicContact CE2-CG2 4.35Å; F429-T433 HydrophobicContact CZ-CG2 4.01Å; F429-T433 PolarHBondContact O-N 3.09Å; F429-T433 VanDerWaalsContact O-N 3.08Å; F429-T433 PolarHBondContact O-OG1 3.37Å
430	A	94.7	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-33.2	175.6	0	0	0	0	0	112.7	L215 A426 D427 E428 W434 A435	L215-A430 HydrophobicContact CD2-CB 3.71Å; A426-A430 WeakPolarHBondContact O-CB 3.39Å; A426-A430 PolarHBondContact O-N 3.48Å; D427-A430 PolarHBondContact O-N 3.46Å; E428-A430 PolarHBondContact O-N 2.62Å; A430-W434 PolarHBondContact O-N 3.46Å; A430-A435 WeakPolarHBondContact O-CB 3.23Å; A430-A435 PolarHBondContact O-N 3.21Å
431	Q	93.6	Very high	92.8	Very high	115 Å²	115	43.3 Å²	43.3	54%	0.537	21%	0.212	S	C	.	.	H	α-helix	trans	-69.6	-35.5	175.4	-73.9	170.6	30	0	0	112.3	D427 E428 F429	D427-Q431 VanDerWaalsContact O-CG 3.29Å; D427-Q431 WeakPolarHBondContact O-CG 3.44Å; D427-Q431 PolarHBondContact O-N 2.87Å; E428-Q431 PolarHBondContact O-N 3.3Å; F429-Q431 VanDerWaalsContact C-N 3.3Å; F429-Q431 PolarHBondContact O-N 2.87Å
432	E	91.8	Very high	92.3	Very high	81 Å²	81	45 Å²	45	38%	0.379	22%	0.215	S	C	.	.	H	α-helix	trans	-79.8	-16.4	176.9	-67.7	-177.1	-174.6	0	0	113.9	P39 N40 E428 F429 I436	P39-E432 HydrophobicContact CB-CB 4.21Å; N40-E432 VanDerWaalsContact CB-OE2 3.23Å; N40-E432 WeakPolarHBondContact CB-OE2 3.25Å; N40-E432 PolarHBondContact N-OE2 3.29Å; E428-E432 PolarHBondContact O-N 3.23Å; F429-E432 PolarHBondContact O-N 2.85Å; E432-I436 WeakPolarHBondContact O-CD1 3.46Å
433	T	91.6	Very high	91.9	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.025	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-91.4	-176.5	54.7	0	0	0	0	111.7	P39 F429 A435 I436 K437	P39-T433 HydrophobicContact CB-CG2 3.6Å; P39-T433 HydrophobicContact CG-CG2 3.64Å; F429-T433 HydrophobicContact CD1-CG2 4.35Å; F429-T433 HydrophobicContact CE1-CG2 4.02Å; F429-T433 HydrophobicContact CE2-CG2 4.35Å; F429-T433 HydrophobicContact CZ-CG2 4.01Å; F429-T433 PolarHBondContact O-N 3.09Å; F429-T433 VanDerWaalsContact O-N 3.08Å; F429-T433 PolarHBondContact O-OG1 3.37Å; T433-A435 VanDerWaalsContact C-N 3.33Å; T433-A435 PolarHBondContact O-N 3.38Å; T433-I436 PolarHBondContact O-N 3.37Å; T433-I436 VanDerWaalsContact O-N 3.14Å; T433-K437 PolarHBondContact O-N 3.24Å
434	W	93.3	Very high	91.4	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.038	25%	0.25	C	S	.	.	H	α-helix	trans	-56.8	-38.6	-173.5	171.5	82.2	0	0	0	114	T213 L215 D231 Q232 A430 I436 K437 K438	T213-W434 PolarHBondContact O-NE1 3.04Å; L215-W434 HydrophobicContact CB-CD2 3.62Å; L215-W434 HydrophobicContact CB-CE3 4.17Å; L215-W434 HydrophobicContact CB-CG 3.76Å; L215-W434 HydrophobicContact CB-CZ2 4.17Å; L215-W434 HydrophobicContact CD1-CB 4.1Å; L215-W434 HydrophobicContact CD1-CG 4.23Å; L215-W434 HydrophobicContact CD2-CD2 4.08Å; L215-W434 HydrophobicContact CD2-CE3 3.84Å; L215-W434 HydrophobicContact CD2-CG 4.44Å; L215-W434 HydrophobicContact CD2-CZ3 4.3Å; L215-W434 HydrophobicContact CG-CD2 4.34Å; L215-W434 HydrophobicContact CG-CG 4.38Å; D231-W434 VanDerWaalsContact CA-CH2 3.47Å; D231-W434 HydrophobicContact CB-CH2 3.58Å; D231-W434 HydrophobicContact CB-CZ2 3.57Å; D231-W434 VanDerWaalsContact OD1-CZ2 3.32Å; D231-W434 WeakPolarHBondContact OD1-CZ2 3.47Å; Q232-W434 HydrophobicContact CG-CZ3 4.06Å; A430-W434 PolarHBondContact O-N 3.46Å; W434-I436 VanDerWaalsContact C-N 3.28Å; W434-I436 PolarHBondContact O-N 2.6Å; W434-K437 WeakPolarHBondContact O-CB 3.32Å; W434-K437 PolarHBondContact O-N 3.4Å; W434-K437 VanDerWaalsContact O-N 3.14Å; W434-K438 HydrophobicContact CH2-CD 3.42Å; W434-K438 VanDerWaalsContact CH2-CD 3.42Å; W434-K438 HydrophobicContact CZ2-CB 4.28Å; W434-K438 HydrophobicContact CZ2-CD 3.29Å; W434-K438 HydrophobicContact CZ2-CG 4.37Å; W434-K438 HydrophobicContact CZ3-CD 4.24Å; W434-K438 WeakPolarHBondContact O-CB 3.43Å; W434-K438 PolarHBondContact O-N 3.13Å
435	A	92.7	Very high	90.7	Very high	33 Å²	33	43.4 Å²	43.4	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-64.5	-33.7	-179.3	0	0	0	0	0	112.5	A430 T433 E439	A430-A435 WeakPolarHBondContact O-CB 3.23Å; A430-A435 PolarHBondContact O-N 3.21Å; T433-A435 VanDerWaalsContact C-N 3.33Å; T433-A435 PolarHBondContact O-N 3.38Å; A435-E439 PolarHBondContact O-N 3.46Å; A435-E439 VanDerWaalsContact O-N 3.1Å
436	I	91.6	Very high	89.6	Confident	73 Å²	73	47.2 Å²	47.2	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-69.1	-43.4	173.9	-52.6	-175	0	0	0	109.8	M92 E432 T433 W434 E439 A440	M92-I436 HydrophobicContact CE-CG2 3.93Å; M92-I436 HydrophobicContact SD-CB 4.43Å; M92-I436 HydrophobicContact SD-CG2 3.97Å; E432-I436 WeakPolarHBondContact O-CD1 3.46Å; T433-I436 PolarHBondContact O-N 3.37Å; T433-I436 VanDerWaalsContact O-N 3.14Å; W434-I436 VanDerWaalsContact C-N 3.28Å; W434-I436 PolarHBondContact O-N 2.6Å; I436-E439 PolarHBondContact O-N 3.37Å; I436-A440 WeakPolarHBondContact O-CB 3.27Å; I436-A440 PolarHBondContact O-N 2.89Å
437	K	91	Very high	88.2	Confident	5 Å²	5	54.8 Å²	54.8	2%	0.022	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-49.5	175.3	-62.1	-176.1	-175	-148.4	0	111.6	M92 D95 D415 N416 T433 W434 E439 A440 E441	M92-K437 HydrophobicContact CG-CG 4.49Å; M92-K437 HydrophobicContact SD-CB 4.24Å; M92-K437 HydrophobicContact SD-CG 3.55Å; M92-K437 VanDerWaalsContact SD-CG 3.55Å; D95-K437 WeakPolarHBondContact OD1-CE 3.23Å; D95-K437 IonicContact OD1-NZ 3.77Å; D95-K437 PolarHBondContact OD1-NZ 2.82Å; D95-K437 WeakPolarHBondContact OD2-CE 3.46Å; D95-K437 IonicContact OD2-NZ 3.62Å; D95-K437 PolarHBondContact OD2-NZ 3.42Å; D415-K437 IonicContact OD2-NZ 2.9Å; D415-K437 PolarHBondContact OD2-NZ 2.99Å; N416-K437 VanDerWaalsContact ND2-CE 3.31Å; N416-K437 WeakPolarHBondContact ND2-CE 3.37Å; N416-K437 PolarHBondContact ND2-NZ 2.77Å; T433-K437 PolarHBondContact O-N 3.24Å; W434-K437 WeakPolarHBondContact O-CB 3.32Å; W434-K437 PolarHBondContact O-N 3.4Å; W434-K437 VanDerWaalsContact O-N 3.14Å; K437-E439 PolarHBondContact O-N 2.6Å; K437-A440 PolarHBondContact O-N 3.11Å; K437-E441 WeakPolarHBondContact O-CB 3.18Å; K437-E441 WeakPolarHBondContact O-CG 3.22Å; K437-E441 PolarHBondContact O-N 3.47Å
438	K	90.5	Very high	86.5	Confident	49 Å²	49	54 Å²	54	21%	0.213	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-44.7	179.8	174.4	164.8	174.4	172.1	0	112.1	D231 W434 E441 R442 E461	D231-K438 IonicContact OD2-NZ 3.24Å; W434-K438 HydrophobicContact CH2-CD 3.42Å; W434-K438 VanDerWaalsContact CH2-CD 3.42Å; W434-K438 HydrophobicContact CZ2-CB 4.28Å; W434-K438 HydrophobicContact CZ2-CD 3.29Å; W434-K438 HydrophobicContact CZ2-CG 4.37Å; W434-K438 HydrophobicContact CZ3-CD 4.24Å; W434-K438 WeakPolarHBondContact O-CB 3.43Å; W434-K438 PolarHBondContact O-N 3.13Å; K438-E441 PolarHBondContact O-N 2.8Å; K438-R442 VanDerWaalsContact O-CB 3.29Å; K438-R442 WeakPolarHBondContact O-CB 3.35Å; K438-R442 PolarHBondContact O-N 2.92Å; K438-E461 WeakPolarHBondContact CE-OE1 3.29Å; K438-E461 IonicContact NZ-OE1 3.76Å; K438-E461 PolarHBondContact NZ-OE1 2.85Å
439	E	88.8	Confident	84.8	Confident	83 Å²	83	57.7 Å²	57.7	39%	0.388	30%	0.299	S	S	.	.	H	α-helix	trans	-66.8	-39.7	176.8	-179.3	60.1	-171	0	0	111.6	A435 I436 K437 R442 L443	A435-E439 PolarHBondContact O-N 3.46Å; A435-E439 VanDerWaalsContact O-N 3.1Å; I436-E439 PolarHBondContact O-N 3.37Å; K437-E439 PolarHBondContact O-N 2.6Å; E439-R442 PolarHBondContact O-N 2.64Å; E439-R442 IonicContact OE1-CZ 3.45Å; E439-R442 IonicContact OE1-NE 2.76Å; E439-R442 IonicContact OE1-NH2 3.28Å; E439-R442 PolarHBondContact OE1-NH2 3.06Å; E439-R442 IonicContact OE2-CZ 2.72Å; E439-R442 IonicContact OE2-NE 3.62Å; E439-R442 PolarHBondContact OE2-NE 3.31Å; E439-R442 IonicContact OE2-NH2 3.72Å; E439-R442 PolarHBondContact OE2-NH2 3.13Å; E439-L443 HydrophobicContact CG-CD1 4.14Å; E439-L443 WeakPolarHBondContact O-CB 3.27Å; E439-L443 VanDerWaalsContact O-CG 3.27Å; E439-L443 WeakPolarHBondContact O-CG 3.41Å; E439-L443 PolarHBondContact O-N 2.9Å
440	A	89.1	Confident	83.6	Confident	10 Å²	10	59.7 Å²	59.7	8%	0.083	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-42.6	174	0	0	0	0	0	112.2	P34 A91 M92 I436 K437 L443 A444	P34-A440 HydrophobicContact CG-CB 3.76Å; A91-A440 HydrophobicContact CB-CB 3.7Å; A91-A440 WeakPolarHBondContact CB-O 3.24Å; M92-A440 HydrophobicContact CG-CB 4.06Å; I436-A440 WeakPolarHBondContact O-CB 3.27Å; I436-A440 PolarHBondContact O-N 2.89Å; K437-A440 PolarHBondContact O-N 3.11Å; A440-L443 PolarHBondContact O-N 2.82Å; A440-A444 WeakPolarHBondContact O-CB 3.39Å; A440-A444 PolarHBondContact O-N 2.76Å
441	E	88.8	Confident	82.6	Confident	20 Å²	20	64.9 Å²	64.9	9%	0.093	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-41.8	175.3	-73.7	-177.7	166.9	0	0	111.9	A91 K131 T213 K437 K438 L443 A444 D445	A91-E441 HydrophobicContact CB-CB 4.33Å; A91-E441 HydrophobicContact CB-CG 3.72Å; K131-E441 WeakPolarHBondContact CE-OE1 3.29Å; K131-E441 IonicContact NZ-OE1 2.68Å; K131-E441 PolarHBondContact NZ-OE1 2.91Å; T213-E441 PolarHBondContact N-OE2 2.99Å; T213-E441 PolarHBondContact OG1-OE1 3.4Å; T213-E441 PolarHBondContact OG1-OE2 3.33Å; K437-E441 WeakPolarHBondContact O-CB 3.18Å; K437-E441 WeakPolarHBondContact O-CG 3.22Å; K437-E441 PolarHBondContact O-N 3.47Å; K438-E441 PolarHBondContact O-N 2.8Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-L443 PolarHBondContact O-N 2.84Å; E441-A444 PolarHBondContact O-N 2.93Å; E441-D445 PolarHBondContact O-N 3.42Å
442	R	84.6	Confident	81.8	Confident	76 Å²	76	64.6 Å²	64.6	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-39.1	175.6	-166.6	-169.3	69.9	73.3	4	112.1	K438 E439 A444 A448	K438-R442 VanDerWaalsContact O-CB 3.29Å; K438-R442 WeakPolarHBondContact O-CB 3.35Å; K438-R442 PolarHBondContact O-N 2.92Å; E439-R442 PolarHBondContact O-N 2.64Å; E439-R442 IonicContact OE1-CZ 3.45Å; E439-R442 IonicContact OE1-NE 2.76Å; E439-R442 IonicContact OE1-NH2 3.28Å; E439-R442 PolarHBondContact OE1-NH2 3.06Å; E439-R442 IonicContact OE2-CZ 2.72Å; E439-R442 IonicContact OE2-NE 3.62Å; E439-R442 PolarHBondContact OE2-NE 3.31Å; E439-R442 IonicContact OE2-NH2 3.72Å; E439-R442 PolarHBondContact OE2-NH2 3.13Å; R442-A444 VanDerWaalsContact C-N 3.34Å; R442-A448 HydrophobicContact CG-CB 4.42Å; R442-A448 WeakPolarHBondContact O-CB 3.33Å
443	L	84.5	Confident	80.9	Confident	114 Å²	114	64 Å²	64	60%	0.597	35%	0.35	S	S	*	.	H	α-helix	trans	-74.2	-23.8	176	-68.5	171	0	0	0	113.2	E439 A440 E441	E439-L443 HydrophobicContact CG-CD1 4.14Å; E439-L443 WeakPolarHBondContact O-CB 3.27Å; E439-L443 VanDerWaalsContact O-CG 3.27Å; E439-L443 WeakPolarHBondContact O-CG 3.41Å; E439-L443 PolarHBondContact O-N 2.9Å; A440-L443 PolarHBondContact O-N 2.82Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-L443 PolarHBondContact O-N 2.84Å
444	A	84	Confident	79.9	Confident	68 Å²	68	65 Å²	65	56%	0.562	36%	0.358	S	S	*	.	H	α-helix	trans	-87.7	-20.8	177.1	0	0	0	0	0	114	A91 A440 E441 R442 P446	A91-A444 HydrophobicContact CB-CB 4.23Å; A440-A444 WeakPolarHBondContact O-CB 3.39Å; A440-A444 PolarHBondContact O-N 2.76Å; E441-A444 PolarHBondContact O-N 2.93Å; R442-A444 VanDerWaalsContact C-N 3.34Å; A444-P446 WeakPolarHBondContact O-CD 3.35Å
445	D	79.1	Confident	79.2	Confident	31 Å²	31	68.5 Å²	68.5	17%	0.166	38%	0.377	C	S	.	.			trans	-69.8	117	179.2	-173.9	-10.5	0	0	0	110.9	K212 E441 K447 A448	K212-D445 VanDerWaalsContact CE-OD2 3.25Å; K212-D445 WeakPolarHBondContact CE-OD2 3.32Å; K212-D445 IonicContact NZ-OD2 2.71Å; K212-D445 PolarHBondContact NZ-OD2 3.1Å; E441-D445 PolarHBondContact O-N 3.42Å; D445-K447 PolarHBondContact O-N 3.42Å; D445-K447 VanDerWaalsContact O-N 3.13Å; D445-K447 WeakPolarHBondContact OD1-CB 3.49Å; D445-K447 PolarHBondContact OD1-N 2.91Å; D445-A448 HydrophobicContact CB-CB 4.26Å; D445-A448 WeakPolarHBondContact O-CB 3.5Å; D445-A448 PolarHBondContact O-N 3.35Å
446	P	72.7	Confident	78.5	Confident	97 Å²	97	75 Å²	75	63%	0.63	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-62	-22.1	178.5	26.1	-34.9	0	0	0	112.9	A444 A448 Q449	A444-P446 WeakPolarHBondContact O-CD 3.35Å; P446-A448 VanDerWaalsContact C-N 3.34Å; P446-Q449 PolarHBondContact O-N 2.75Å
447	K	65.7	Low	77.7	Confident	158 Å²	158	74.9 Å²	74.9	69%	0.687	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-69.9	-31.7	174.9	-63.1	177.9	-179.8	174.5	0	112.2	D445 Q449 S450	D445-K447 PolarHBondContact O-N 3.42Å; D445-K447 VanDerWaalsContact O-N 3.13Å; D445-K447 WeakPolarHBondContact OD1-CB 3.49Å; D445-K447 PolarHBondContact OD1-N 2.91Å; K447-Q449 PolarHBondContact O-N 2.94Å; K447-S450 VanDerWaalsContact O-CB 3.29Å; K447-S450 WeakPolarHBondContact O-CB 3.22Å; K447-S450 PolarHBondContact O-N 2.69Å
448	A	58.2	Low	77	Confident	18 Å²	18	77.7 Å²	77.7	15%	0.149	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-69.5	-10.4	179.8	0	0	0	0	0	113.6	R442 D445 P446 S450	R442-A448 HydrophobicContact CG-CB 4.42Å; R442-A448 WeakPolarHBondContact O-CB 3.33Å; D445-A448 HydrophobicContact CB-CB 4.26Å; D445-A448 WeakPolarHBondContact O-CB 3.5Å; D445-A448 PolarHBondContact O-N 3.35Å; P446-A448 VanDerWaalsContact C-N 3.34Å; A448-S450 PolarHBondContact O-N 3.32Å
449	Q	59.3	Low	76.5	Confident	164 Å²	164	78.8 Å²	78.8	77%	0.766	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-71.1	-19.4	170.1	-59.4	-173	-7	0	0	112.4	P446 K447 V451	P446-Q449 PolarHBondContact O-N 2.75Å; K447-Q449 PolarHBondContact O-N 2.94Å; Q449-V451 PolarHBondContact O-N 3.03Å
450	S	68.9	Low	75.9	Confident	45 Å²	45	80.6 Å²	80.6	32%	0.315	43%	0.425	S	S	.	.	S	Bend	trans	-72.8	111.8	169.9	175	0	0	0	0	110	K447 A448 V452 D453 A454	K447-S450 VanDerWaalsContact O-CB 3.29Å; K447-S450 WeakPolarHBondContact O-CB 3.22Å; K447-S450 PolarHBondContact O-N 2.69Å; A448-S450 PolarHBondContact O-N 3.32Å; S450-V452 PolarHBondContact O-N 3.39Å; S450-V452 VanDerWaalsContact O-N 3.15Å; S450-D453 WeakPolarHBondContact CB-OD2 3.36Å; S450-D453 PolarHBondContact O-N 3.22Å; S450-D453 VanDerWaalsContact O-N 3.09Å; S450-D453 PolarHBondContact OG-OD2 3.04Å; S450-A454 PolarHBondContact O-N 3.11Å
451	V	75.1	Confident	75.2	Confident	108 Å²	108	84 Å²	84	66%	0.655	44%	0.44	S	S	*	.	H	α-helix	trans	-55.2	-33.3	177.1	178.4	0	0	0	0	111.7	Q449 I455	Q449-V451 PolarHBondContact O-N 3.03Å; V451-I455 HydrophobicContact CG1-CD1 3.88Å; V451-I455 WeakPolarHBondContact O-CB 3.34Å; V451-I455 WeakPolarHBondContact O-CD1 3.26Å; V451-I455 WeakPolarHBondContact O-CG1 3.33Å; V451-I455 PolarHBondContact O-N 3Å
452	V	76	Confident	74.7	Confident	109 Å²	109	87.6 Å²	87.6	66%	0.661	46%	0.455	S	S	*	.	H	α-helix	trans	-67.4	-42.9	179.3	-178.8	0	0	0	0	111.3	S450 I455 R456	S450-V452 PolarHBondContact O-N 3.39Å; S450-V452 VanDerWaalsContact O-N 3.15Å; V452-I455 PolarHBondContact O-N 2.96Å; V452-R456 PolarHBondContact O-N 2.88Å
453	D	72.7	Confident	74.5	Confident	70 Å²	70	87.6 Å²	87.6	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-75.6	-37.6	-178	-62.4	-65.6	0	0	0	111.3	S450 I455 R456 E457	S450-D453 WeakPolarHBondContact CB-OD2 3.36Å; S450-D453 PolarHBondContact O-N 3.22Å; S450-D453 VanDerWaalsContact O-N 3.09Å; S450-D453 PolarHBondContact OG-OD2 3.04Å; D453-I455 VanDerWaalsContact C-N 3.3Å; D453-I455 PolarHBondContact O-N 2.86Å; D453-R456 WeakPolarHBondContact O-CB 3.31Å; D453-R456 PolarHBondContact O-N 2.76Å; D453-R456 VanDerWaalsContact O-N 3.07Å; D453-E457 PolarHBondContact O-N 3.27Å
454	A	71.6	Confident	74.4	Confident	23 Å²	23	89.5 Å²	89.5	19%	0.19	46%	0.464	C	S	.	.	H	α-helix	trans	-59.8	-39	170.4	0	0	0	0	0	112.4	S450 T458	S450-A454 PolarHBondContact O-N 3.11Å; A454-T458 WeakPolarHBondContact O-CB 3.2Å; A454-T458 PolarHBondContact O-N 3.32Å; A454-T458 VanDerWaalsContact O-N 3.07Å; A454-T458 PolarHBondContact O-OG1 3.32Å
455	I	77.9	Confident	74.3	Confident	84 Å²	84	88.2 Å²	88.2	43%	0.431	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-42.2	172.3	-73.8	167.1	0	0	0	110.8	V451 V452 D453 T458 Y459	V451-I455 HydrophobicContact CG1-CD1 3.88Å; V451-I455 WeakPolarHBondContact O-CB 3.34Å; V451-I455 WeakPolarHBondContact O-CD1 3.26Å; V451-I455 WeakPolarHBondContact O-CG1 3.33Å; V451-I455 PolarHBondContact O-N 3Å; V452-I455 PolarHBondContact O-N 2.96Å; D453-I455 VanDerWaalsContact C-N 3.3Å; D453-I455 PolarHBondContact O-N 2.86Å; I455-T458 PolarHBondContact O-N 3.07Å; I455-Y459 HydrophobicContact CG2-CD2 3.63Å; I455-Y459 HydrophobicContact CG2-CE2 3.39Å; I455-Y459 VanDerWaalsContact O-CD2 3.24Å; I455-Y459 WeakPolarHBondContact O-CD2 3.45Å; I455-Y459 PolarHBondContact O-N 3.38Å
456	R	78.1	Confident	74.5	Confident	170 Å²	170	91.3 Å²	91.3	64%	0.642	46%	0.463	S	S	*	.	H	α-helix	trans	-65.9	-47.5	179.7	-172.5	178.1	-176.1	165.8	0.9	112.7	V452 D453 T458 Y459 N460	V452-R456 PolarHBondContact O-N 2.88Å; D453-R456 WeakPolarHBondContact O-CB 3.31Å; D453-R456 PolarHBondContact O-N 2.76Å; D453-R456 VanDerWaalsContact O-N 3.07Å; R456-T458 VanDerWaalsContact C-N 3.32Å; R456-T458 PolarHBondContact O-N 2.85Å; R456-Y459 PolarHBondContact O-N 2.84Å; R456-N460 PolarHBondContact O-N 3.46Å
457	E	74.7	Confident	75.1	Confident	70 Å²	70	94.9 Å²	94.9	33%	0.327	47%	0.469	S	S	.	.	H	α-helix	trans	-58.2	-45.7	174.2	-73.2	-172.7	156.3	0	0	110.5	K212 D453 Y459 N460 E461	K212-E457 IonicContact NZ-OE1 3.64Å; K212-E457 PolarHBondContact NZ-OE1 2.87Å; D453-E457 PolarHBondContact O-N 3.27Å; E457-Y459 VanDerWaalsContact C-N 3.33Å; E457-Y459 PolarHBondContact O-N 2.83Å; E457-N460 PolarHBondContact O-N 3.47Å; E457-N460 VanDerWaalsContact O-N 3.14Å; E457-E461 PolarHBondContact O-N 3.25Å
458	T	76.2	Confident	76.2	Confident	64 Å²	64	90.4 Å²	90.4	39%	0.393	46%	0.455	S	S	.	.	H	α-helix	trans	-58.6	-41.5	177.7	-59.3	0	0	0	0	112.5	A454 I455 R456 K462 L465	A454-T458 WeakPolarHBondContact O-CB 3.2Å; A454-T458 PolarHBondContact O-N 3.32Å; A454-T458 VanDerWaalsContact O-N 3.07Å; A454-T458 PolarHBondContact O-OG1 3.32Å; I455-T458 PolarHBondContact O-N 3.07Å; R456-T458 VanDerWaalsContact C-N 3.32Å; R456-T458 PolarHBondContact O-N 2.85Å; T458-K462 WeakPolarHBondContact O-CB 3.11Å; T458-K462 PolarHBondContact O-N 2.82Å; T458-L465 HydrophobicContact CG2-CD1 3.61Å
459	Y	79.9	Confident	77.5	Confident	72 Å²	72	92.4 Å²	92.4	28%	0.282	47%	0.465	S	S	.	.	H	α-helix	trans	-71.8	-33.2	176.7	-76.6	-50.9	0	0	0	113.4	I455 R456 E457 K462 P463 L465 I466 V469	I455-Y459 HydrophobicContact CG2-CD2 3.63Å; I455-Y459 HydrophobicContact CG2-CE2 3.39Å; I455-Y459 VanDerWaalsContact O-CD2 3.24Å; I455-Y459 WeakPolarHBondContact O-CD2 3.45Å; I455-Y459 PolarHBondContact O-N 3.38Å; R456-Y459 PolarHBondContact O-N 2.84Å; E457-Y459 VanDerWaalsContact C-N 3.33Å; E457-Y459 PolarHBondContact O-N 2.83Å; Y459-K462 CarbonylContact O-C 3.52Å; Y459-P463 VanDerWaalsContact O-CA 3.31Å; Y459-P463 WeakPolarHBondContact O-CA 3.49Å; Y459-P463 VanDerWaalsContact O-N 3.16Å; Y459-L465 HydrophobicContact CD1-CB 4.03Å; Y459-L465 HydrophobicContact CE1-CB 3.96Å; Y459-I466 HydrophobicContact CD1-CB 4.43Å; Y459-I466 HydrophobicContact CD1-CD1 4.28Å; Y459-I466 HydrophobicContact CD1-CG1 3.33Å; Y459-I466 HydrophobicContact CE1-CB 4.34Å; Y459-I466 HydrophobicContact CE1-CG1 3.64Å; Y459-I466 HydrophobicContact CG-CG1 3.98Å; Y459-V469 HydrophobicContact CE1-CG2 4.5Å
460	N	77.1	Confident	78.7	Confident	121 Å²	121	86.1 Å²	86.1	65%	0.647	45%	0.445	S	S	*	.	H	α-helix	trans	-66.2	-43.5	174.5	-76.5	-3.5	0	0	0	111.7	R456 E457	R456-N460 PolarHBondContact O-N 3.46Å; E457-N460 PolarHBondContact O-N 3.47Å; E457-N460 VanDerWaalsContact O-N 3.14Å
461	E	73.7	Confident	79.6	Confident	81 Å²	81	89 Å²	89	38%	0.379	46%	0.456	S	S	.	.	H	α-helix	trans	-70.3	-35.6	176.9	-67.8	-167.8	157.5	0	0	113	K438 E457	K438-E461 WeakPolarHBondContact CE-OE1 3.29Å; K438-E461 IonicContact NZ-OE1 3.76Å; K438-E461 PolarHBondContact NZ-OE1 2.85Å; E457-E461 PolarHBondContact O-N 3.25Å
462	K	79.6	Confident	80.2	Confident	96 Å²	96	88.1 Å²	88.1	42%	0.417	45%	0.451	S	S	.	.			trans	-131.9	69.9	-171.5	-70.6	166.3	-174.9	148.9	0	110.6	T458 Y459 W464 L465	T458-K462 WeakPolarHBondContact O-CB 3.11Å; T458-K462 PolarHBondContact O-N 2.82Å; Y459-K462 CarbonylContact O-C 3.52Å; K462-W464 PolarHBondContact O-N 3.26Å; K462-L465 HydrophobicContact CB-CD1 3.9Å; K462-L465 HydrophobicContact CB-CG 4.25Å; K462-L465 HydrophobicContact CD-CD1 4.29Å; K462-L465 WeakPolarHBondContact O-CB 3.15Å; K462-L465 PolarHBondContact O-N 2.66Å
463	P	79.5	Confident	80.6	Confident	76 Å²	76	86.1 Å²	86.1	49%	0.494	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.6	-177.4	21.7	-33.6	0	0	0	113.7	Y459 L465 I466	Y459-P463 VanDerWaalsContact O-CA 3.31Å; Y459-P463 WeakPolarHBondContact O-CA 3.49Å; Y459-P463 VanDerWaalsContact O-N 3.16Å; P463-L465 PolarHBondContact O-N 2.89Å; P463-I466 WeakPolarHBondContact O-CB 3.38Å; P463-I466 PolarHBondContact O-N 3.36Å; P463-I466 VanDerWaalsContact O-N 3.15Å
464	W	82.1	Confident	81.2	Confident	155 Å²	155	86.1 Å²	86.1	59%	0.587	44%	0.444	S	S	*	.	H	α-helix	trans	-61	-23.8	173.1	68	-91	0	0	0	113.7	K462 I466 F467 V468	K462-W464 PolarHBondContact O-N 3.26Å; W464-I466 PolarHBondContact O-N 3.18Å; W464-F467 PolarHBondContact O-N 2.66Å; W464-V468 HydrophobicContact CE3-CG2 3.73Å; W464-V468 HydrophobicContact CZ3-CG2 3.84Å; W464-V468 PolarHBondContact O-N 2.82Å
465	L	83.1	Confident	81.9	Confident	41 Å²	41	89.5 Å²	89.5	22%	0.215	46%	0.458	C	S	.	.	H	α-helix	trans	-63.3	-27.9	175.3	-84.5	171.3	0	0	0	112.5	T458 Y459 K462 P463 F467 V468 V469	T458-L465 HydrophobicContact CG2-CD1 3.61Å; Y459-L465 HydrophobicContact CD1-CB 4.03Å; Y459-L465 HydrophobicContact CE1-CB 3.96Å; K462-L465 HydrophobicContact CB-CD1 3.9Å; K462-L465 HydrophobicContact CB-CG 4.25Å; K462-L465 HydrophobicContact CD-CD1 4.29Å; K462-L465 WeakPolarHBondContact O-CB 3.15Å; K462-L465 PolarHBondContact O-N 2.66Å; P463-L465 PolarHBondContact O-N 2.89Å; L465-F467 VanDerWaalsContact C-N 3.3Å; L465-F467 PolarHBondContact O-N 2.8Å; L465-V468 PolarHBondContact O-N 3.26Å; L465-V469 WeakPolarHBondContact O-CB 3.43Å; L465-V469 WeakPolarHBondContact O-CG2 3.35Å; L465-V469 PolarHBondContact O-N 2.82Å
466	I	82.7	Confident	82.2	Confident	95 Å²	95	88.9 Å²	88.9	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-60.6	-43.5	176.5	-58.3	175.3	0	0	0	110	Y459 P463 W464 G470	Y459-I466 HydrophobicContact CD1-CB 4.43Å; Y459-I466 HydrophobicContact CD1-CD1 4.28Å; Y459-I466 HydrophobicContact CD1-CG1 3.33Å; Y459-I466 HydrophobicContact CE1-CB 4.34Å; Y459-I466 HydrophobicContact CE1-CG1 3.64Å; Y459-I466 HydrophobicContact CG-CG1 3.98Å; P463-I466 WeakPolarHBondContact O-CB 3.38Å; P463-I466 PolarHBondContact O-N 3.36Å; P463-I466 VanDerWaalsContact O-N 3.15Å; W464-I466 PolarHBondContact O-N 3.18Å; I466-G470 PolarHBondContact O-N 3.16Å
467	F	85.5	Confident	82.7	Confident	172 Å²	172	85.9 Å²	85.9	75%	0.754	46%	0.455	S	S	*	.	H	α-helix	trans	-66.5	-38.8	177.3	-66.7	-84	0	0	0	112.1	W464 L465 L471	W464-F467 PolarHBondContact O-N 2.66Å; L465-F467 VanDerWaalsContact C-N 3.3Å; L465-F467 PolarHBondContact O-N 2.8Å; F467-L471 VanDerWaalsContact O-CB 3.31Å; F467-L471 WeakPolarHBondContact O-CB 3.17Å; F467-L471 PolarHBondContact O-N 3.21Å
468	V	87.6	Confident	83.2	Confident	65 Å²	65	87 Å²	87	39%	0.394	46%	0.462	S	S	.	.	H	α-helix	trans	-69.9	-46	178.8	175.9	0	0	0	0	111.5	W464 L465 G470 L471 V472	W464-V468 HydrophobicContact CE3-CG2 3.73Å; W464-V468 HydrophobicContact CZ3-CG2 3.84Å; W464-V468 PolarHBondContact O-N 2.82Å; L465-V468 PolarHBondContact O-N 3.26Å; V468-G470 VanDerWaalsContact C-N 3.35Å; V468-L471 PolarHBondContact O-N 3.01Å; V468-V472 HydrophobicContact CG1-CG2 4.44Å; V468-V472 WeakPolarHBondContact O-CB 3.44Å; V468-V472 VanDerWaalsContact O-CG2 3.28Å; V468-V472 WeakPolarHBondContact O-CG2 3.35Å; V468-V472 PolarHBondContact O-N 2.99Å
469	V	85.6	Confident	83.7	Confident	59 Å²	59	89.3 Å²	89.3	36%	0.358	47%	0.471	S	S	.	.	H	α-helix	trans	-63.8	-41.7	174.9	174.1	0	0	0	0	110.5	Y459 L465 L471 V472 C473	Y459-V469 HydrophobicContact CE1-CG2 4.5Å; L465-V469 WeakPolarHBondContact O-CB 3.43Å; L465-V469 WeakPolarHBondContact O-CG2 3.35Å; L465-V469 PolarHBondContact O-N 2.82Å; V469-L471 PolarHBondContact O-N 3.15Å; V469-V472 PolarHBondContact O-N 3.38Å; V469-C473 VanDerWaalsContact O-CB 3.32Å; V469-C473 WeakPolarHBondContact O-CB 3.37Å; V469-C473 PolarHBondContact O-N 3.49Å; V469-C473 PolarHBondContact O-SG 2.93Å; V469-C473 VanDerWaalsContact O-SG 3.34Å
470	G	84.7	Confident	84	Confident	33 Å²	33	89.5 Å²	89.5	34%	0.34	48%	0.483	S	S	.	.	H	α-helix	trans	-57	-45.3	173	0	0	0	0	0	112.8	I466 V468 C473 T474	I466-G470 PolarHBondContact O-N 3.16Å; V468-G470 VanDerWaalsContact C-N 3.35Å; G470-C473 PolarHBondContact O-N 2.86Å; G470-T474 WeakPolarHBondContact O-CB 3.43Å; G470-T474 VanDerWaalsContact O-CG2 3.24Å; G470-T474 WeakPolarHBondContact O-CG2 3.45Å; G470-T474 PolarHBondContact O-N 2.98Å; G470-T474 PolarHBondContact O-OG1 3.28Å
471	L	88.7	Confident	84.4	Confident	104 Å²	104	87.2 Å²	87.2	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-42.6	176.9	-175.6	147	0	0	0	112.3	F467 V468 V469 C473 T474 L475	F467-L471 VanDerWaalsContact O-CB 3.31Å; F467-L471 WeakPolarHBondContact O-CB 3.17Å; F467-L471 PolarHBondContact O-N 3.21Å; V468-L471 PolarHBondContact O-N 3.01Å; V469-L471 PolarHBondContact O-N 3.15Å; L471-C473 VanDerWaalsContact C-N 3.35Å; L471-C473 PolarHBondContact O-N 3.27Å; L471-T474 PolarHBondContact O-OG1 2.84Å; L471-L475 HydrophobicContact CD2-CD1 3.62Å; L471-L475 HydrophobicContact CG-CD1 4.21Å; L471-L475 WeakPolarHBondContact O-CB 3.2Å; L471-L475 WeakPolarHBondContact O-CG 3.25Å; L471-L475 PolarHBondContact O-N 2.8Å; L471-L475 VanDerWaalsContact O-N 3.16Å
472	V	87.4	Confident	84.9	Confident	90 Å²	90	87.1 Å²	87.1	55%	0.545	48%	0.476	S	S	.	.	H	α-helix	trans	-67.8	-32.1	178	170.7	0	0	0	0	112.2	V468 V469 P476	V468-V472 HydrophobicContact CG1-CG2 4.44Å; V468-V472 WeakPolarHBondContact O-CB 3.44Å; V468-V472 VanDerWaalsContact O-CG2 3.28Å; V468-V472 WeakPolarHBondContact O-CG2 3.35Å; V468-V472 PolarHBondContact O-N 2.99Å; V469-V472 PolarHBondContact O-N 3.38Å; V472-P476 WeakPolarHBondContact O-CD 3.04Å; V472-P476 VanDerWaalsContact O-CG 3.25Å; V472-P476 WeakPolarHBondContact O-CG 3.43Å
473	C	85.1	Confident	85.1	Confident	67 Å²	67	91.9 Å²	91.9	45%	0.453	49%	0.493	S	S	.	.	H	α-helix	trans	-81.9	-37.6	176.3	-71.5	0	0	0	0	113.2	V469 G470 L471 P476 I477	V469-C473 VanDerWaalsContact O-CB 3.32Å; V469-C473 WeakPolarHBondContact O-CB 3.37Å; V469-C473 PolarHBondContact O-N 3.49Å; V469-C473 PolarHBondContact O-SG 2.93Å; V469-C473 VanDerWaalsContact O-SG 3.34Å; G470-C473 PolarHBondContact O-N 2.86Å; L471-C473 VanDerWaalsContact C-N 3.35Å; L471-C473 PolarHBondContact O-N 3.27Å; C473-P476 WeakPolarHBondContact O-CD 3.31Å; C473-P476 WeakPolarHBondContact O-CG 3.39Å; C473-I477 WeakPolarHBondContact O-CD1 3.17Å; C473-I477 VanDerWaalsContact O-CG1 3.32Å; C473-I477 WeakPolarHBondContact O-CG1 3.38Å
474	T	84.8	Confident	85.3	Confident	71 Å²	71	95.3 Å²	95.3	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-73.6	-39.8	-178	49.6	0	0	0	0	113	G470 L471 I477 I478	G470-T474 WeakPolarHBondContact O-CB 3.43Å; G470-T474 VanDerWaalsContact O-CG2 3.24Å; G470-T474 WeakPolarHBondContact O-CG2 3.45Å; G470-T474 PolarHBondContact O-N 2.98Å; G470-T474 PolarHBondContact O-OG1 3.28Å; L471-T474 PolarHBondContact O-OG1 2.84Å; T474-I477 PolarHBondContact O-N 3.02Å; T474-I478 WeakPolarHBondContact O-CB 3.48Å; T474-I478 VanDerWaalsContact O-CG1 3.27Å; T474-I478 WeakPolarHBondContact O-CG1 3.29Å; T474-I478 PolarHBondContact O-N 2.85Å
475	L	86	Confident	85.3	Confident	93 Å²	93	93.3 Å²	93.3	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-53.1	-53	178.2	-81.9	171.5	0	0	0	114.7	L471 I477 I478 L479	L471-L475 HydrophobicContact CD2-CD1 3.62Å; L471-L475 HydrophobicContact CG-CD1 4.21Å; L471-L475 WeakPolarHBondContact O-CB 3.2Å; L471-L475 WeakPolarHBondContact O-CG 3.25Å; L471-L475 PolarHBondContact O-N 2.8Å; L471-L475 VanDerWaalsContact O-N 3.16Å; L475-I477 VanDerWaalsContact C-N 3.35Å; L475-I477 PolarHBondContact O-N 3.44Å; L475-I478 PolarHBondContact O-N 2.89Å; L475-L479 WeakPolarHBondContact O-CB 3.34Å; L475-L479 WeakPolarHBondContact O-CG 2.84Å; L475-L479 PolarHBondContact O-N 3.12Å
476	P	85	Confident	84.8	Confident	71 Å²	71	100.9 Å²	100.9	46%	0.461	54%	0.538	S	S	.	.	H	α-helix	trans	-67.8	-32.3	179.4	26.1	-34.3	0	0	0	112.6	V472 C473 L479 C480	V472-P476 WeakPolarHBondContact O-CD 3.04Å; V472-P476 VanDerWaalsContact O-CG 3.25Å; V472-P476 WeakPolarHBondContact O-CG 3.43Å; C473-P476 WeakPolarHBondContact O-CD 3.31Å; C473-P476 WeakPolarHBondContact O-CG 3.39Å; P476-L479 PolarHBondContact O-N 3.08Å; P476-C480 VanDerWaalsContact O-CB 3.25Å; P476-C480 WeakPolarHBondContact O-CB 3.45Å; P476-C480 PolarHBondContact O-N 3.04Å
477	I	86.8	Confident	83.6	Confident	108 Å²	108	101.4 Å²	101.4	55%	0.554	55%	0.551	S	S	*	*	H	α-helix	trans	-64.6	-47.9	174.2	-65.2	170.8	0	0	0	109.9	C473 T474 L475 L479 C480 C481	C473-I477 WeakPolarHBondContact O-CD1 3.17Å; C473-I477 VanDerWaalsContact O-CG1 3.32Å; C473-I477 WeakPolarHBondContact O-CG1 3.38Å; T474-I477 PolarHBondContact O-N 3.02Å; L475-I477 VanDerWaalsContact C-N 3.35Å; L475-I477 PolarHBondContact O-N 3.44Å; I477-L479 PolarHBondContact O-N 3.14Å; I477-C480 PolarHBondContact O-N 3.19Å; I477-C481 PolarHBondContact O-N 2.79Å; I477-C481 PolarHBondContact O-SG 2.88Å; I477-C481 VanDerWaalsContact O-SG 3.32Å
478	I	86.1	Confident	82.1	Confident	92 Å²	92	99 Å²	99	47%	0.472	55%	0.552	S	S	.	*	H	α-helix	trans	-60.1	-45.6	176.8	-69.3	164.9	0	0	0	110.7	T474 L475 C480 C481 I482	T474-I478 WeakPolarHBondContact O-CB 3.48Å; T474-I478 VanDerWaalsContact O-CG1 3.27Å; T474-I478 WeakPolarHBondContact O-CG1 3.29Å; T474-I478 PolarHBondContact O-N 2.85Å; L475-I478 PolarHBondContact O-N 2.89Å; I478-C480 PolarHBondContact O-N 3.42Å; I478-C481 PolarHBondContact O-N 3.43Å; I478-I482 HydrophobicContact CG2-CD1 3.76Å; I478-I482 HydrophobicContact CG2-CG1 4.48Å; I478-I482 VanDerWaalsContact O-CG1 3.25Å; I478-I482 WeakPolarHBondContact O-CG1 3.29Å; I478-I482 PolarHBondContact O-N 3.39Å
479	L	86.2	Confident	80.1	Confident	113 Å²	113	101.5 Å²	101.5	59%	0.592	57%	0.573	S	S	*	*	H	α-helix	trans	-61.9	-40.5	176.2	-73.7	169.1	0	0	0	112.4	L475 P476 I477 I482 Y483	L475-L479 WeakPolarHBondContact O-CB 3.34Å; L475-L479 WeakPolarHBondContact O-CG 2.84Å; L475-L479 PolarHBondContact O-N 3.12Å; P476-L479 PolarHBondContact O-N 3.08Å; I477-L479 PolarHBondContact O-N 3.14Å; L479-I482 PolarHBondContact O-N 2.77Å; L479-Y483 WeakPolarHBondContact O-CB 3.36Å; L479-Y483 PolarHBondContact O-N 2.65Å
480	C	86.7	Confident	78.1	Confident	77 Å²	77	108.9 Å²	108.9	52%	0.52	60%	0.6	S	S	.	*	H	α-helix	trans	-66.5	-43.1	177.6	-160	0	0	0	0	111.5	P476 I477 I478 Y483 M484	P476-C480 VanDerWaalsContact O-CB 3.25Å; P476-C480 WeakPolarHBondContact O-CB 3.45Å; P476-C480 PolarHBondContact O-N 3.04Å; I477-C480 PolarHBondContact O-N 3.19Å; I478-C480 PolarHBondContact O-N 3.42Å; C480-Y483 PolarHBondContact O-N 3.01Å; C480-M484 WeakPolarHBondContact O-CB 3.4Å; C480-M484 WeakPolarHBondContact O-CG 3.09Å; C480-M484 PolarHBondContact O-N 3.11Å
481	C	85.9	Confident	75.9	Confident	72 Å²	72	116.5 Å²	116.5	49%	0.486	63%	0.627	S	S	.	*	H	α-helix	trans	-60.4	-44.5	172.7	-70.3	0	0	0	0	112.1	I477 I478 Y483 M484 C485	I477-C481 PolarHBondContact O-N 2.79Å; I477-C481 PolarHBondContact O-SG 2.88Å; I477-C481 VanDerWaalsContact O-SG 3.32Å; I478-C481 PolarHBondContact O-N 3.43Å; C481-Y483 VanDerWaalsContact C-N 3.3Å; C481-Y483 PolarHBondContact O-N 3.37Å; C481-M484 PolarHBondContact O-N 2.71Å; C481-C485 WeakPolarHBondContact O-CB 3.48Å; C481-C485 PolarHBondContact O-N 3.35Å; C481-C485 PolarHBondContact O-SG 3.22Å
482	I	84.9	Confident	73.7	Confident	80 Å²	80	120.1 Å²	120.1	41%	0.41	64%	0.64	S	S	.	*	H	α-helix	trans	-61.8	-38	176.1	-69.8	165.8	0	0	0	111.4	I478 L479 R486	I478-I482 HydrophobicContact CG2-CD1 3.76Å; I478-I482 HydrophobicContact CG2-CG1 4.48Å; I478-I482 VanDerWaalsContact O-CG1 3.25Å; I478-I482 WeakPolarHBondContact O-CG1 3.29Å; I478-I482 PolarHBondContact O-N 3.39Å; L479-I482 PolarHBondContact O-N 2.77Å; I482-R486 WeakPolarHBondContact O-CB 3.46Å; I482-R486 WeakPolarHBondContact O-CG 3.41Å
483	Y	82.6	Confident	71.5	Confident	196 Å²	196	122.3 Å²	122.3	77%	0.769	65%	0.649	S	S	*	*	H	α-helix	trans	-71.1	-44.7	178.7	-165.6	-96.6	0	0	0	112.1	L479 C480 C481 C485 R486	L479-Y483 WeakPolarHBondContact O-CB 3.36Å; L479-Y483 PolarHBondContact O-N 2.65Å; C480-Y483 PolarHBondContact O-N 3.01Å; C481-Y483 VanDerWaalsContact C-N 3.3Å; C481-Y483 PolarHBondContact O-N 3.37Å; Y483-C485 VanDerWaalsContact C-N 3.31Å; Y483-C485 PolarHBondContact O-N 2.89Å; Y483-R486 PolarHBondContact O-N 3.39Å
484	M	84.3	Confident	69.5	Low	148 Å²	148	126.4 Å²	126.4	73%	0.729	67%	0.665	S	S	*	*	H	α-helix	trans	-60.7	-38.4	176.5	-69.8	-97.5	-81.6	0	0	112.1	C480 C481 R486	C480-M484 WeakPolarHBondContact O-CB 3.4Å; C480-M484 WeakPolarHBondContact O-CG 3.09Å; C480-M484 PolarHBondContact O-N 3.11Å; C481-M484 PolarHBondContact O-N 2.71Å; M484-R486 VanDerWaalsContact C-N 3.29Å; M484-R486 PolarHBondContact O-N 3.35Å
485	C	82.3	Confident	67.5	Low	113 Å²	113	126.4 Å²	126.4	76%	0.764	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-0.7	178.8	-66.6	0	0	0	0	115	C481 Y483	C481-C485 WeakPolarHBondContact O-CB 3.48Å; C481-C485 PolarHBondContact O-N 3.35Å; C481-C485 PolarHBondContact O-SG 3.22Å; Y483-C485 VanDerWaalsContact C-N 3.31Å; Y483-C485 PolarHBondContact O-N 2.89Å
486	R	72.5	Confident	65.5	Low	199 Å²	199	130.8 Å²	130.8	75%	0.751	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	9.2	-174.7	-90.6	-172	137.5	101.2	1.2	116.1	I482 Y483 M484	I482-R486 WeakPolarHBondContact O-CB 3.46Å; I482-R486 WeakPolarHBondContact O-CG 3.41Å; Y483-R486 PolarHBondContact O-N 3.39Å; M484-R486 VanDerWaalsContact C-N 3.29Å; M484-R486 PolarHBondContact O-N 3.35Å
487	S	56.6	Low	63.5	Low	107 Å²	107	139 Å²	139	75%	0.748	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-71.8	122.9	174.5	-161.8	0	0	0	0	111.3
488	P	53.5	Low	61.3	Low	121 Å²	121	143 Å²	143	79%	0.786	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-78.6	135.3	-169.6	30.2	-35.1	0	0	0	113.2
489	S	46.6	Very low	59.3	Low	117 Å²	117	146.8 Å²	146.8	82%	0.818	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-77.3	142	173.9	51.9	0	0	0	0	112.4
490	K	43.2	Very low	57.4	Low	215 Å²	215	144.9 Å²	144.9	94%	0.935	74%	0.741	S	S	*	*			trans	-137	140.8	158.4	-79.7	-166.5	176.1	-177.2	0	110.1
491	Q	39.9	Very low	55.4	Low	192 Å²	192	147 Å²	147	90%	0.897	75%	0.747	S	S	*	*			trans	-100.9	133.4	-164.2	179.9	-177.7	7.6	0	0	110.5
492	H	41.4	Very low	53.4	Low	180 Å²	180	150.1 Å²	150.1	83%	0.833	76%	0.764	S	S	*	*			trans	-154.4	156.8	150.7	-148.6	-86.7	0	0	0	111.9
493	D	40.9	Very low	51.6	Low	137 Å²	137	151 Å²	151	73%	0.733	78%	0.778	S	S	*	*			trans	-107.4	176.8	-158.8	-162.1	-3.2	0	0	0	112.9
494	I	44.3	Very low	50	Low	152 Å²	152	148.7 Å²	148.7	78%	0.779	78%	0.784	S	S	*	*			trans	87.7	129	162.1	-51.4	149.9	0	0	0	118
495	G	41.5	Very low	48.3	Very low	72 Å²	72	146.6 Å²	146.6	74%	0.742	78%	0.781	S	S	*	*			trans	145.3	82	141.4	0	0	0	0	0	120.3
496	M	44.6	Very low	46.6	Very low	185 Å²	185	148.6 Å²	148.6	91%	0.911	78%	0.784	S	S	*	*			trans	-43.3	146.4	172	-62	-176.6	-92.4	0	0	119.3
497	R	42	Very low	45.6	Very low	242 Å²	242	146.7 Å²	146.7	91%	0.913	79%	0.789	S	S	*	*				162.5	106.8	125.1	-89.2	165.1	-178.2	-169.6	1	109.2
498	K	40.8	Very low	44.9	Very low	194 Å²	194	145.9 Å²	145.9	84%	0.843	78%	0.783	S	S	*	*				62.5	95.1	62.5	-155.5	-179.5	-169.2	176.2	0	115.3
499	K	44.7	Very low	44.7	Very low	171 Å²	171	149.4 Å²	149.4	74%	0.743	79%	0.789	S	S	*	*				-172	148.8	118.7	-110.2	-144.5	126.1	-115.3	0	107.1	D501	K499-D501 IonicContact NZ-OD1 2.67Å; K499-D501 IonicContact NZ-OD2 3.65Å; K499-D501 PolarHBondContact NZ-OD2 2.69Å
500	T	46.4	Very low	44.3	Very low	72 Å²	72	150.5 Å²	150.5	44%	0.442	79%	0.785	S	S	.	*			cis	179.7	-173.2	-33.1	27.2	0	0	0	0	104.7
501	D	43.8	Very low	44.3	Very low	122 Å²	122	149.5 Å²	149.5	65%	0.652	78%	0.783	S	S	*	*			trans	73.2	132.5	159.2	-37.7	-58.1	0	0	0	113.7	K499	K499-D501 IonicContact NZ-OD1 2.67Å; K499-D501 IonicContact NZ-OD2 3.65Å; K499-D501 PolarHBondContact NZ-OD2 2.69Å
502	T	45.8	Very low	44.2	Very low	137 Å²	137	145.8 Å²	145.8	84%	0.84	77%	0.773	S	S	*	*			cis	-156.3	168.2	-1.6	-107.2	0	0	0	0	110
503	S	45.8	Very low	44.2	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	77%	0.772	S	S	*	*			trans	-127.5	154.4	-156.2	51.7	0	0	0	0	116.1
504	T	48.9	Very low	44.1	Very low	147 Å²	147	141.7 Å²	141.7	90%	0.902	77%	0.771	S	S	*	*			trans	-148.9	122	158.7	-31.6	0	0	0	0	111.3
505	P	48.4	Very low	43.8	Very low	104 Å²	104	144.2 Å²	144.2	68%	0.675	77%	0.771	S	S	*	*			trans	-139.9	154.2	151.5	38.6	-25.3	0	0	0	113.9
506	D	46.4	Very low	43.8	Very low	154 Å²	154	147.7 Å²	147.7	82%	0.824	77%	0.772	S	S	*	*			trans	162.8	146.6	157.4	-82	-21.8	0	0	0	104.8
507	D	51.4	Low	43.4	Very low	160 Å²	160	143.2 Å²	143.2	86%	0.856	77%	0.765	S	S	*	*			cis	-136.2	164.5	26.9	-87.2	-59.5	0	0	0	113.9
508	S	42.8	Very low	43.4	Very low	89 Å²	89	140.8 Å²	140.8	62%	0.622	76%	0.764	S	S	*	*			trans	-95.9	155.9	177.1	62.2	0	0	0	0	114.2
509	H	48.5	Very low	43.1	Very low	195 Å²	195	137.6 Å²	137.6	90%	0.903	76%	0.761	S	S	*	*			trans	-153.1	144.5	138.8	-101.1	-69.2	0	0	0	112.4
510	L	39.2	Very low	42.9	Very low	141 Å²	141	137.5 Å²	137.5	74%	0.738	76%	0.763	S	S	*	*			trans	-97.3	152.3	-172.4	-53.6	102.1	0	0	0	112.9
511	H	42.3	Very low	42.4	Very low	193 Å²	193	142 Å²	142	89%	0.894	78%	0.779	S	S	*	*				-156.6	152.5	119.7	-129	-84.1	0	0	0	113.9
512	V	38.9	Very low	42.2	Very low	115 Å²	115	142.9 Å²	142.9	70%	0.697	78%	0.783	S	S	*	*			trans	-110.3	149.3	-172.8	174.9	0	0	0	0	110.9
513	G	41.8	Very low	41.8	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	78%	0.784	S	S	*	*			trans	-173.5	108.6	167.4	0	0	0	0	0	113.6
514	E	38	Very low	41.2	Very low	153 Å²	153	149.8 Å²	149.8	72%	0.715	80%	0.795	S	S	*	*			trans	-97.1	147.2	-179	-51.2	151.7	98.1	0	0	112.8
515	R	38.8	Very low	40.7	Very low	206 Å²	206	148.7 Å²	148.7	78%	0.777	79%	0.793	S	S	*	*				161	135.7	114.4	-94.6	171.6	-101.5	162.8	-6.1	115.4
516	N	41.1	Very low	39.9	Very low	144 Å²	144	147.4 Å²	147.4	77%	0.77	80%	0.799	S	S	*	*			trans	42	126.4	135.6	-49.2	1.5	0	0	0	119.6
517	A	36	Very low	39.6	Very low	92 Å²	92	149.6 Å²	149.6	76%	0.76	80%	0.804	S	S	*	*			cis	98.5	151.4	40.8	0	0	0	0	0	113.8
518	E	41.6	Very low	39	Very low	190 Å²	190	151 Å²	151	89%	0.888	81%	0.805	S	S	*	*			trans	82.3	119.3	-168.9	-57.1	176.8	166	0	0	113.5
519	T	35.1	Very low	38.6	Very low	127 Å²	127	154.5 Å²	154.5	78%	0.779	82%	0.817	S	S	*	*			cis	123.6	145.3	1.6	-55.7	0	0	0	0	110.8
520	E	39.2	Very low	38.1	Very low	170 Å²	170	152.5 Å²	152.5	79%	0.794	81%	0.811	S	S	*	*			trans	78.6	138.2	177.5	-49	-173.6	174	0	0	116.2
521	E	36.9	Very low	37.9	Very low	166 Å²	166	151.7 Å²	151.7	78%	0.776	81%	0.812	S	S	*	*			cis	-165	176.6	-15.5	-117.7	-173	-176.5	0	0	108.9
522	L	39.8	Very low	37.4	Very low	140 Å²	140	151.4 Å²	151.4	73%	0.733	81%	0.811	S	S	*	*			trans	89.8	109.5	163.9	-58.5	171.6	0	0	0	121.7
523	E	37.7	Very low	37.3	Very low	187 Å²	187	152.3 Å²	152.3	87%	0.874	82%	0.817	S	S	*	*			trans	73.5	109	134.9	-62.1	-177.6	-174.4	0	0	120.7
524	E	33.1	Very low	36.9	Very low	196 Å²	196	154.1 Å²	154.1	92%	0.916	82%	0.817	S	S	*	*			trans	-115.8	121.5	175.7	179.9	176.4	-144.8	0	0	109.5
525	S	38.2	Very low	36.8	Very low	124 Å²	124	157 Å²	157	87%	0.867	83%	0.827	S	S	*	*			trans	-135.6	96.9	165.6	64.3	0	0	0	0	108.8
526	G	31.8	Very low	36.6	Very low	77 Å²	77	150.3 Å²	150.3	79%	0.794	82%	0.822	S	S	*	*			trans	-92.7	136.1	176.7	0	0	0	0	0	111.8
527	E	38.6	Very low	36.4	Very low	200 Å²	200	149.7 Å²	149.7	94%	0.935	83%	0.829	S	S	*	*			trans	-125.3	119.1	168.2	-161.4	160.7	-177.3	0	0	106.9
528	E	38.7	Very low	36.4	Very low	188 Å²	188	149 Å²	149	88%	0.879	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-93	121	-171.2	-66.5	-173.9	144.4	0	0	111.3
529	D	35.3	Very low	36.1	Very low	164 Å²	164	147.5 Å²	147.5	88%	0.877	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-91.7	133.3	166.6	-113.1	-32.4	0	0	0	111
530	I	37.9	Very low	36.1	Very low	152 Å²	152	150.3 Å²	150.3	78%	0.779	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-81.2	126.9	-164	-68.3	171.2	0	0	0	112.7
531	V	34.5	Very low	36	Very low	125 Å²	125	147.3 Å²	147.3	76%	0.758	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-81.6	117	168.7	177.2	0	0	0	0	110.6
532	Q	33.2	Very low	36	Very low	187 Å²	187	146.3 Å²	146.3	87%	0.874	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-80.6	123.5	166.4	-81.1	-166.4	-31.1	0	0	111.6
533	V	36.2	Very low	35.8	Very low	134 Å²	134	144.4 Å²	144.4	81%	0.812	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-89.3	129.9	175.8	174.1	0	0	0	0	110.5
534	S	32.4	Very low	35.6	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-85	136.9	174.4	47.2	0	0	0	0	112.4
535	K	37.8	Very low	35.8	Very low	213 Å²	213	144 Å²	144	93%	0.926	84%	0.841	S	S	*	*			trans	-154.6	129.5	161.2	-138.4	172.1	-173.2	175.6	0	109.3
536	G	33.3	Very low	35.7	Very low	65 Å²	65	145.1 Å²	145.1	67%	0.67	84%	0.843	S	S	*	*			trans	-120.5	-156	-169.7	0	0	0	0	0	114.7
537	S	36.3	Very low	35.8	Very low	132 Å²	132	145.3 Å²	145.3	92%	0.923	85%	0.845	S	S	*	*			trans	74.9	130.2	179.5	69.6	0	0	0	0	117
538	G	36.6	Very low	35.7	Very low	77 Å²	77	141.1 Å²	141.1	79%	0.794	84%	0.838	S	S	*	*			trans	149.4	79.9	-176.2	0	0	0	0	0	110.7
539	D	36.1	Very low	35.6	Very low	159 Å²	159	137.5 Å²	137.5	85%	0.85	83%	0.833	S	S	*	*			trans	-76.1	168.1	-168.8	-72.3	-64.4	0	0	0	116.2
540	E	34.5	Very low	35.7	Very low	186 Å²	186	140.1 Å²	140.1	87%	0.869	83%	0.831	S	S	*	*			trans	85.4	94.9	146.9	-152	166.6	-149.2	0	0	119.5
541	S	38.1	Very low	35.8	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	83%	0.831	S	S	*	*				178.4	128.1	113.9	40.1	0	0	0	0	115.2
542	T	36.9	Very low	35.9	Very low	145 Å²	145	141.6 Å²	141.6	89%	0.89	84%	0.836	S	S	*	*			trans	43	108	155.3	36	0	0	0	0	120.9
543	A	33.8	Very low	36.2	Very low	100 Å²	100	138.4 Å²	138.4	83%	0.826	84%	0.835	S	S	*	*			trans	-79.1	141	165.6	0	0	0	0	0	112.9
544	N	34.3	Very low	36.2	Very low	167 Å²	167	137 Å²	137	89%	0.893	84%	0.837	S	S	*	*			trans	-162.8	96.1	149.3	-125.1	-11.5	0	0	0	111.3
545	K	37.4	Very low	36.6	Very low	207 Å²	207	140.5 Å²	140.5	90%	0.9	84%	0.841	S	S	*	*			trans	-161.6	117.3	156.9	-120.5	172	-174.3	177	0	111.8
546	T	36.3	Very low	36.5	Very low	147 Å²	147	139.2 Å²	139.2	90%	0.902	84%	0.838	S	S	*	*			trans	-67.4	127.8	169.3	33.4	0	0	0	0	110.5
547	G	33.4	Very low	36.9	Very low	81 Å²	81	142.3 Å²	142.3	84%	0.835	84%	0.844	S	S	*	*			trans	-93	130.2	166.9	0	0	0	0	0	110.2
548	S	35.9	Very low	37.2	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	84%	0.841	S	S	*	*			trans	-126.1	105.5	167.4	-178.4	0	0	0	0	107.7
549	S	37.6	Very low	37.1	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	84%	0.844	S	S	*	*			trans	-111.2	124.8	164.2	-168.9	0	0	0	0	107
550	R	38.3	Very low	37.4	Very low	219 Å²	219	147.9 Å²	147.9	83%	0.826	85%	0.846	S	S	*	*			trans	-103.4	112.1	172.6	-82.6	-178.7	168.7	156.6	-3.9	108.3
551	D	38.7	Very low	37.7	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	84%	0.843	S	S	*	*			trans	-71.6	128.1	160.9	-67.7	-43.9	0	0	0	109
552	N	36.6	Very low	37.6	Very low	160 Å²	160	142.8 Å²	142.8	86%	0.856	84%	0.842	S	S	*	*			trans	-105	109.5	167.3	-86.5	-14.5	0	0	0	108.1
553	S	39.4	Very low	37.7	Very low	121 Å²	121	144.6 Å²	144.6	85%	0.846	84%	0.84	S	S	*	*			trans	-90.4	139.9	163.1	-68.5	0	0	0	0	109.6
554	A	37.2	Very low	37.9	Very low	103 Å²	103	145.8 Å²	145.8	85%	0.851	84%	0.837	S	S	*	*			trans	-76.2	153.3	-177.9	0	0	0	0	0	112.5
555	E	39.4	Very low	38.1	Very low	190 Å²	190	144.4 Å²	144.4	89%	0.888	83%	0.826	S	S	*	*			trans	-124.9	125.8	171.5	-164.9	165.4	-146.7	0	0	108.1
556	E	37.1	Very low	38.1	Very low	186 Å²	186	142.3 Å²	142.3	87%	0.869	82%	0.816	S	S	*	*			trans	-87.6	143.2	-177.1	-64.7	179.8	140.2	0	0	111.4
557	T	41.7	Very low	38.2	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	81%	0.811	S	S	*	*			trans	-132.8	127.8	166.5	54.9	0	0	0	0	110
558	P	42.3	Very low	38.3	Very low	132 Å²	132	141.4 Å²	141.4	86%	0.857	81%	0.809	S	S	*	*			trans	-80.8	151.9	175.1	-7.5	24.7	0	0	0	113.2
559	D	35.2	Very low	38.4	Very low	162 Å²	162	140.4 Å²	140.4	87%	0.866	81%	0.808	S	S	*	*			trans	-68.8	153.8	175.2	-64.3	-71.3	0	0	0	114.3
560	E	41.9	Very low	38.3	Very low	191 Å²	191	139.7 Å²	139.7	89%	0.893	81%	0.808	S	S	*	*			trans	-152.1	150.8	131.1	-128.5	179.2	177.6	0	0	113.5
561	S	40	Very low	38.4	Very low	116 Å²	116	139 Å²	139	81%	0.811	81%	0.812	S	S	*	*			trans	-59.8	164.7	-176.2	49.2	0	0	0	0	116.5
562	G	36.9	Very low	38.4	Very low	69 Å²	69	140.1 Å²	140.1	71%	0.711	81%	0.812	S	S	*	*			cis	168.2	-165.8	2.9	0	0	0	0	0	113.1
563	E	38.9	Very low	38.3	Very low	184 Å²	184	137.4 Å²	137.4	86%	0.86	81%	0.805	S	S	*	*			trans	64.9	103.8	165.6	-70.6	-167.3	159.8	0	0	119.3
564	T	36.5	Very low	38.2	Very low	124 Å²	124	138.5 Å²	138.5	76%	0.761	80%	0.8	S	S	*	*				66.1	140.1	99.6	48.8	0	0	0	0	116.6
565	E	38.6	Very low	38.3	Very low	139 Å²	139	145.7 Å²	145.7	65%	0.65	81%	0.805	S	S	*	*			cis	-163	158.9	23	-134	-169.3	177.3	0	0	113.8
566	K	38.6	Very low	38.4	Very low	163 Å²	163	145.9 Å²	145.9	71%	0.709	80%	0.803	S	S	*	*			trans	63.8	125.5	148.5	-78	167.1	-170.1	145.5	0	125
567	A	37.8	Very low	38.6	Very low	96 Å²	96	149.1 Å²	149.1	79%	0.793	81%	0.807	S	S	*	*			trans	70.1	145.3	132.4	0	0	0	0	0	120.5
568	S	36	Very low	39.1	Very low	112 Å²	112	154.8 Å²	154.8	78%	0.783	81%	0.814	S	S	*	*			cis	-169.3	178.1	-14.6	58.2	0	0	0	0	110.2
569	A	38.8	Very low	39.1	Very low	93 Å²	93	154.3 Å²	154.3	77%	0.769	81%	0.814	S	S	*	*			trans	78.9	86.7	162.2	0	0	0	0	0	120.8
570	A	34.8	Very low	39.4	Very low	95 Å²	95	157.8 Å²	157.8	79%	0.785	82%	0.815	S	S	*	*			trans	24.9	125	130.3	0	0	0	0	0	122
571	K	40.3	Very low	39.7	Very low	206 Å²	206	157.9 Å²	157.9	90%	0.896	81%	0.812	S	S	*	*				-161	152.2	126.1	-111.6	163.1	-172.5	174.5	0	114.2
572	Q	39.2	Very low	39.9	Very low	171 Å²	171	164.9 Å²	164.9	80%	0.799	83%	0.833	S	S	*	*			trans	-73.7	142.7	-156.8	-63.4	158.4	-59.6	0	0	117.7
573	S	34.2	Very low	40.1	Very low	102 Å²	102	169.7 Å²	169.7	71%	0.713	84%	0.839	S	S	*	*				76.3	161.9	126.7	74.6	0	0	0	0	122.6
574	I	37.2	Very low	40.1	Very low	144 Å²	144	168.9 Å²	168.9	74%	0.738	84%	0.837	S	S	*	*			trans	85.7	90.7	170.4	-47.7	165.5	0	0	0	116
575	R	39.9	Very low	40.3	Very low	254 Å²	254	171.4 Å²	171.4	96%	0.958	84%	0.842	S	S	*	*			trans	-129.1	112.5	140.8	-97.6	-174	175.2	178.4	-0.8	110.3
576	K	40.6	Very low	40.4	Very low	195 Å²	195	173.4 Å²	173.4	85%	0.848	85%	0.853	S	S	*	*			trans	-69.9	140.4	171.2	-68.5	174.2	174.6	175.8	0	109.7
577	R	41.8	Very low	40.6	Very low	254 Å²	254	174 Å²	174	96%	0.958	86%	0.862	S	S	*	*			trans	-111.3	130.4	157	-139	174	-173.4	179.2	1.2	107.6
578	R	51.4	Low	40.7	Very low	248 Å²	248	179.2 Å²	179.2	94%	0.936	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-79	147.8	-173	-82.7	177.4	164.9	171.4	-6.6	111.7
579	S	43.5	Very low	41.1	Very low	123 Å²	123	184 Å²	184	86%	0.86	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-90.5	164.9	165.5	51.5	0	0	0	0	112
580	R	41	Very low	41.3	Very low	234 Å²	234	191 Å²	191	88%	0.883	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-90	136.2	-171.4	172	-173.7	-178.3	178.3	3.2	113.1
581	K	47.8	Very low	41.8	Very low	193 Å²	193	199 Å²	199	84%	0.839	89%	0.889	S	S	*	*			trans	173.6	117.9	139	-103.7	-177.5	176.6	-173.3	0	110.5
582	E	44.8	Very low	41.9	Very low	264 Å²	264	198.4 Å²	198.4	100%	1.234	89%	0.888	S	S	*	*				-122.3	0	93.8	-79.5	-176.2	145.7	0	0	107.7

Retrieved 582 of 582 residues in 202 ms (Link to these results)

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