G4LZC7_SCHMA Loading...

Smp_204710 AlphaSync

AlphaFold DB , UniProt , Accession G4LZC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	59.1	Low	233 Å²	233	130.6 Å²	130.6	100%	1.148	67%	0.666	S	S	*	*				0	110.1	0	-80.6	170.8	171.2	0	0	108.8	Y3	M1-Y3 PolarHBondContact O-N 3.4Å
2	R	45	Very low	60.3	Low	250 Å²	250	129.1 Å²	129.1	94%	0.943	66%	0.659	S	S	*	*			trans	-83	100.8	167.6	-84.1	-179.1	173	169.7	-2.2	106.6	T4	R2-T4 PolarHBondContact O-N 3.3Å; R2-T4 VanDerWaalsContact O-N 3.14Å
3	Y	53.5	Low	61.2	Low	207 Å²	207	125.3 Å²	125.3	81%	0.812	65%	0.646	S	S	*	*			trans	-74.6	100.8	172.7	-134.9	-93.7	0	0	0	107.2	M1 F5	M1-Y3 PolarHBondContact O-N 3.4Å; Y3-F5 PolarHBondContact O-N 3.14Å
4	T	51	Low	62	Low	125 Å²	125	128.8 Å²	128.8	77%	0.767	65%	0.648	S	S	*	*			trans	-75.6	107.9	172	41.2	0	0	0	0	107.9	R2 S6	R2-T4 PolarHBondContact O-N 3.3Å; R2-T4 VanDerWaalsContact O-N 3.14Å; T4-S6 PolarHBondContact O-N 3.17Å
5	F	49.5	Very low	62.7	Low	135 Å²	135	126.7 Å²	126.7	59%	0.592	64%	0.639	S	S	*	*			trans	-57.5	120.2	172	-83.6	-89.6	0	0	0	109.3	Y3 H9 L10	Y3-F5 PolarHBondContact O-N 3.14Å; F5-H9 HydrophobicContact CD1-CB 3.84Å; F5-L10 HydrophobicContact CB-CD2 4.34Å; F5-L10 HydrophobicContact CB-CG 4.27Å
6	S	62.9	Low	63.4	Low	71 Å²	71	123.7 Å²	123.7	50%	0.497	63%	0.629	S	S	.	*			trans	-60.7	143.5	169.9	157.5	0	0	0	0	109.4	T4 G8 H9 L10	T4-S6 PolarHBondContact O-N 3.17Å; S6-G8 PolarHBondContact O-N 3.43Å; S6-H9 WeakPolarHBondContact O-CB 3.45Å; S6-H9 PolarHBondContact O-N 2.88Å; S6-L10 PolarHBondContact O-N 3Å
7	S	69.1	Low	63.9	Low	94 Å²	94	120.4 Å²	120.4	66%	0.657	62%	0.616	S	S	*	*	H	α-helix	trans	-49.6	-35.1	-178.9	52.2	0	0	0	0	113.1	H9 L10 V11	S7-H9 PolarHBondContact O-N 3.44Å; S7-L10 PolarHBondContact O-N 2.87Å; S7-V11 WeakPolarHBondContact O-CG2 3.28Å; S7-V11 PolarHBondContact O-N 3.45Å; S7-V11 VanDerWaalsContact O-N 3.07Å
8	G	65.7	Low	64.1	Low	43 Å²	43	116.7 Å²	116.7	44%	0.443	60%	0.603	S	S	.	*	H	α-helix	trans	-63.5	-35.4	176.4	0	0	0	0	0	114.1	S6 V11 L12	S6-G8 PolarHBondContact O-N 3.43Å; G8-V11 PolarHBondContact O-N 3.25Å; G8-L12 PolarHBondContact O-N 3.23Å; G8-L12 VanDerWaalsContact O-N 3.09Å
9	H	67.2	Low	64.4	Low	109 Å²	109	116.6 Å²	116.6	51%	0.505	60%	0.603	S	S	.	*	H	α-helix	trans	-70.4	-36.5	176.3	-69	74	0	0	0	111.2	F5 S6 S7 L12 V13	F5-H9 HydrophobicContact CD1-CB 3.84Å; S6-H9 WeakPolarHBondContact O-CB 3.45Å; S6-H9 PolarHBondContact O-N 2.88Å; S7-H9 PolarHBondContact O-N 3.44Å; H9-L12 PolarHBondContact O-N 3.4Å; H9-V13 VanDerWaalsContact O-CG2 3.28Å; H9-V13 WeakPolarHBondContact O-CG2 3.16Å; H9-V13 PolarHBondContact O-N 3.06Å
10	L	69.7	Low	64.5	Low	84 Å²	84	113 Å²	113	44%	0.44	59%	0.586	S	S	.	*	H	α-helix	trans	-63.2	-45.7	174.6	-69.3	172.6	0	0	0	110.9	F5 S6 S7 L12 V13 Y14	F5-L10 HydrophobicContact CB-CD2 4.34Å; F5-L10 HydrophobicContact CB-CG 4.27Å; S6-L10 PolarHBondContact O-N 3Å; S7-L10 PolarHBondContact O-N 2.87Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.42Å; L10-V13 PolarHBondContact O-N 3.46Å; L10-Y14 WeakPolarHBondContact O-CD2 3.38Å; L10-Y14 PolarHBondContact O-N 3.07Å
11	V	73.4	Confident	64.5	Low	86 Å²	86	113.1 Å²	113.1	52%	0.521	59%	0.587	S	S	.	*	H	α-helix	trans	-59.7	-43.4	177.4	175.2	0	0	0	0	111.5	S7 G8 Y14 L15	S7-V11 WeakPolarHBondContact O-CG2 3.28Å; S7-V11 PolarHBondContact O-N 3.45Å; S7-V11 VanDerWaalsContact O-N 3.07Å; G8-V11 PolarHBondContact O-N 3.25Å; V11-Y14 PolarHBondContact O-N 3.31Å; V11-L15 HydrophobicContact CG1-CD1 4.09Å; V11-L15 HydrophobicContact CG1-CG 4.49Å; V11-L15 WeakPolarHBondContact O-CG 3.43Å; V11-L15 PolarHBondContact O-N 2.86Å
12	L	73.4	Confident	65.5	Low	112 Å²	112	109.1 Å²	109.1	59%	0.586	56%	0.563	S	S	*	*	H	α-helix	trans	-61.4	-45.9	176.5	-170	78.7	0	0	0	111.5	G8 H9 L10 Y14 L15 V16	G8-L12 PolarHBondContact O-N 3.23Å; G8-L12 VanDerWaalsContact O-N 3.09Å; H9-L12 PolarHBondContact O-N 3.4Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.42Å; L12-Y14 VanDerWaalsContact C-N 3.35Å; L12-Y14 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.24Å; L12-V16 PolarHBondContact O-N 3.47Å
13	V	72.3	Confident	66.5	Low	80 Å²	80	100 Å²	100	49%	0.485	53%	0.53	S	S	.	.	H	α-helix	trans	-60.9	-44.3	176.6	172	0	0	0	0	110.7	H9 L10 L15 V16 V17	H9-V13 VanDerWaalsContact O-CG2 3.28Å; H9-V13 WeakPolarHBondContact O-CG2 3.16Å; H9-V13 PolarHBondContact O-N 3.06Å; L10-V13 PolarHBondContact O-N 3.46Å; V13-L15 PolarHBondContact O-N 3.09Å; V13-V16 PolarHBondContact O-N 2.9Å; V13-V17 HydrophobicContact CG1-CG2 4.23Å; V13-V17 WeakPolarHBondContact O-CB 3.49Å; V13-V17 VanDerWaalsContact O-CG2 3.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.84Å
14	Y	72.5	Confident	67.1	Low	174 Å²	174	92.1 Å²	92.1	68%	0.682	50%	0.501	S	S	*	.	H	α-helix	trans	-61.6	-40.9	176	-86.7	-71.3	0	0	0	112.7	L10 V11 L12 S18	L10-Y14 WeakPolarHBondContact O-CD2 3.38Å; L10-Y14 PolarHBondContact O-N 3.07Å; V11-Y14 PolarHBondContact O-N 3.31Å; L12-Y14 VanDerWaalsContact C-N 3.35Å; L12-Y14 PolarHBondContact O-N 2.94Å; Y14-S18 WeakPolarHBondContact O-CB 3.34Å; Y14-S18 PolarHBondContact O-N 3.33Å
15	L	72	Confident	67.7	Low	97 Å²	97	90.3 Å²	90.3	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-45.4	176.3	-75.9	170.7	0	0	0	111.4	V11 L12 V13 S18 L19	V11-L15 HydrophobicContact CG1-CD1 4.09Å; V11-L15 HydrophobicContact CG1-CG 4.49Å; V11-L15 WeakPolarHBondContact O-CG 3.43Å; V11-L15 PolarHBondContact O-N 2.86Å; L12-L15 PolarHBondContact O-N 3.26Å; V13-L15 PolarHBondContact O-N 3.09Å; L15-S18 PolarHBondContact O-N 3.31Å; L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.16Å; L15-L19 WeakPolarHBondContact O-CD1 3.48Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.22Å
16	V	73.7	Confident	68.7	Low	79 Å²	79	84.3 Å²	84.3	48%	0.479	46%	0.461	S	S	.	.	H	α-helix	trans	-63.8	-44.1	177.3	173.7	0	0	0	0	111.1	L12 V13 L19 T20	L12-V16 WeakPolarHBondContact O-CG2 3.24Å; L12-V16 PolarHBondContact O-N 3.47Å; V13-V16 PolarHBondContact O-N 2.9Å; V16-L19 PolarHBondContact O-N 3.46Å; V16-T20 HydrophobicContact CG1-CG2 4.4Å; V16-T20 WeakPolarHBondContact O-CB 3.44Å; V16-T20 VanDerWaalsContact O-CG2 3.29Å; V16-T20 WeakPolarHBondContact O-CG2 3.33Å; V16-T20 PolarHBondContact O-N 3.46Å; V16-T20 PolarHBondContact O-OG1 3.42Å
17	V	72	Confident	69.1	Low	67 Å²	67	83.9 Å²	83.9	41%	0.406	45%	0.451	S	S	.	.	H	α-helix	trans	-63.8	-43	176.7	170.8	0	0	0	0	110.9	V13 T20 L21	V13-V17 HydrophobicContact CG1-CG2 4.23Å; V13-V17 WeakPolarHBondContact O-CB 3.49Å; V13-V17 VanDerWaalsContact O-CG2 3.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.84Å; V17-T20 WeakPolarHBondContact CA-OG1 3.29Å; V17-T20 PolarHBondContact O-N 3.34Å; V17-T20 PolarHBondContact O-OG1 2.78Å; V17-L21 HydrophobicContact CG1-CD1 3.66Å; V17-L21 HydrophobicContact CG1-CG 4.49Å; V17-L21 VanDerWaalsContact O-CB 3.28Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 WeakPolarHBondContact O-CD1 3.33Å; V17-L21 WeakPolarHBondContact O-CG 3.4Å; V17-L21 PolarHBondContact O-N 2.94Å
18	S	67.4	Low	69.4	Low	54 Å²	54	85.4 Å²	85.4	38%	0.378	45%	0.448	S	S	.	.	H	α-helix	trans	-66.1	-42.7	177.4	-173.4	0	0	0	0	112.2	Y14 L15 L21 K22	Y14-S18 WeakPolarHBondContact O-CB 3.34Å; Y14-S18 PolarHBondContact O-N 3.33Å; L15-S18 PolarHBondContact O-N 3.31Å; S18-L21 PolarHBondContact O-N 2.87Å; S18-K22 WeakPolarHBondContact O-CB 3.44Å; S18-K22 WeakPolarHBondContact O-CG 3.3Å; S18-K22 PolarHBondContact O-N 2.94Å
19	L	69.3	Low	70	Confident	115 Å²	115	84 Å²	84	60%	0.602	43%	0.43	S	S	*	.	H	α-helix	trans	-64.8	-42.9	176.2	-75.9	165.3	0	0	0	111.6	L15 V16 K22 F23	L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.16Å; L15-L19 WeakPolarHBondContact O-CD1 3.48Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.22Å; V16-L19 PolarHBondContact O-N 3.46Å; L19-K22 PolarHBondContact O-N 3.44Å; L19-F23 WeakPolarHBondContact O-CB 3.36Å; L19-F23 PolarHBondContact O-N 2.87Å
20	T	66.7	Low	70.8	Confident	44 Å²	44	79 Å²	79	27%	0.27	41%	0.408	S	S	.	.	H	α-helix	trans	-67.5	-42.7	176.5	49.9	0	0	0	0	111.8	V16 V17 K22 F23 F24	V16-T20 HydrophobicContact CG1-CG2 4.4Å; V16-T20 WeakPolarHBondContact O-CB 3.44Å; V16-T20 VanDerWaalsContact O-CG2 3.29Å; V16-T20 WeakPolarHBondContact O-CG2 3.33Å; V16-T20 PolarHBondContact O-N 3.46Å; V16-T20 PolarHBondContact O-OG1 3.42Å; V17-T20 WeakPolarHBondContact CA-OG1 3.29Å; V17-T20 PolarHBondContact O-N 3.34Å; V17-T20 PolarHBondContact O-OG1 2.78Å; T20-K22 PolarHBondContact O-N 3.49Å; T20-F23 PolarHBondContact O-N 3.47Å; T20-F24 WeakPolarHBondContact O-CD2 3.46Å; T20-F24 WeakPolarHBondContact O-CG 3.37Å; T20-F24 PolarHBondContact O-N 2.82Å
21	L	65.5	Low	71.5	Confident	117 Å²	117	78.9 Å²	78.9	61%	0.613	41%	0.407	S	S	*	.	H	α-helix	trans	-58.8	-46.3	173.1	-83.2	159	0	0	0	111.9	V17 S18 F23 F24 N25	V17-L21 HydrophobicContact CG1-CD1 3.66Å; V17-L21 HydrophobicContact CG1-CG 4.49Å; V17-L21 VanDerWaalsContact O-CB 3.28Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 WeakPolarHBondContact O-CD1 3.33Å; V17-L21 WeakPolarHBondContact O-CG 3.4Å; V17-L21 PolarHBondContact O-N 2.94Å; S18-L21 PolarHBondContact O-N 2.87Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-F24 CarbonylContact O-C 3.57Å; L21-F24 PolarHBondContact O-N 2.89Å; L21-N25 PolarHBondContact O-N 3.42Å
22	K	63.4	Low	72	Confident	148 Å²	148	76.9 Å²	76.9	64%	0.643	39%	0.392	S	S	*	.	H	α-helix	trans	-64.2	-39.1	174.8	-77.4	-176.6	179	-174.3	0	112	S18 L19 T20 F24 N25	S18-K22 WeakPolarHBondContact O-CB 3.44Å; S18-K22 WeakPolarHBondContact O-CG 3.3Å; S18-K22 PolarHBondContact O-N 2.94Å; L19-K22 PolarHBondContact O-N 3.44Å; T20-K22 PolarHBondContact O-N 3.49Å; K22-F24 VanDerWaalsContact C-N 3.32Å; K22-F24 PolarHBondContact O-N 3.36Å; K22-N25 VanDerWaalsContact O-CB 3.24Å; K22-N25 WeakPolarHBondContact O-CB 3.28Å; K22-N25 PolarHBondContact O-N 3.24Å; K22-N25 VanDerWaalsContact O-N 3.1Å
23	F	65.4	Low	72.7	Confident	58 Å²	58	71.7 Å²	71.7	25%	0.254	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-36.9	178	-176.4	-95.3	0	0	0	112	L19 T20 L21 N25 L328 L329 R332	L19-F23 WeakPolarHBondContact O-CB 3.36Å; L19-F23 PolarHBondContact O-N 2.87Å; T20-F23 PolarHBondContact O-N 3.47Å; L21-F23 VanDerWaalsContact C-N 3.35Å; F23-N25 VanDerWaalsContact C-N 3.28Å; F23-L328 HydrophobicContact CE1-CB 3.89Å; F23-L328 WeakPolarHBondContact CE1-O 3.44Å; F23-L328 HydrophobicContact CZ-CB 4.48Å; F23-L329 HydrophobicContact CE2-CD2 4.18Å; F23-L329 HydrophobicContact CZ-CD2 3.68Å; F23-L329 HydrophobicContact CZ-CG 4.08Å; F23-R332 HydrophobicContact CD1-CB 4.25Å; F23-R332 HydrophobicContact CD1-CG 4.46Å; F23-R332 HydrophobicContact CE1-CB 3.66Å; F23-R332 HydrophobicContact CE1-CG 4.17Å; F23-R332 HydrophobicContact CZ-CB 4.26Å; F23-R332 WeakPolarHBondContact O-CD 3.13Å; F23-R332 WeakPolarHBondContact O-CG 3.2Å; F23-R332 PolarHBondContact O-NE 3.11Å
24	F	66.4	Low	73.4	Confident	43 Å²	43	70.3 Å²	70.3	19%	0.189	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.9	173.3	-62.3	-54.2	0	0	0	114.2	T20 L21 K22 C26 L328 Y331 R332 K335	T20-F24 WeakPolarHBondContact O-CD2 3.46Å; T20-F24 WeakPolarHBondContact O-CG 3.37Å; T20-F24 PolarHBondContact O-N 2.82Å; L21-F24 CarbonylContact O-C 3.57Å; L21-F24 PolarHBondContact O-N 2.89Å; K22-F24 VanDerWaalsContact C-N 3.32Å; K22-F24 PolarHBondContact O-N 3.36Å; F24-C26 PolarHBondContact O-N 3.07Å; F24-C26 PolarHBondContact O-SG 3.36Å; F24-L328 HydrophobicContact CE1-CD2 4.2Å; F24-L328 HydrophobicContact CE2-CD2 4.13Å; F24-L328 HydrophobicContact CZ-CD2 3.39Å; F24-Y331 AromaticContact CD1-CD1 3.74Å; F24-Y331 HydrophobicContact CD1-CD1 3.74Å; F24-Y331 HydrophobicContact CD1-CE1 4.11Å; F24-Y331 AromaticContact CE1-CD1 3.28Å; F24-Y331 HydrophobicContact CE1-CD1 3.28Å; F24-Y331 AromaticContact CE1-CE1 3.94Å; F24-Y331 HydrophobicContact CE1-CE1 3.94Å; F24-Y331 HydrophobicContact CE1-CG 4.2Å; F24-Y331 AromaticContact CZ-CD1 3.9Å; F24-Y331 HydrophobicContact CZ-CD1 3.9Å; F24-Y331 HydrophobicContact CZ-CE1 4.35Å; F24-R332 HydrophobicContact CD1-CB 4.32Å; F24-K335 HydrophobicContact CB-CD 4.43Å; F24-K335 PolarHBondContact O-NZ 3.41Å
25	N	64.4	Low	74.1	Confident	87 Å²	87	66.7 Å²	66.7	47%	0.465	36%	0.355	S	S	.	.			trans	-78.5	111.3	172.4	-170.1	-2.9	0	0	0	108.6	L21 K22 F23 Q27	L21-N25 PolarHBondContact O-N 3.42Å; K22-N25 VanDerWaalsContact O-CB 3.24Å; K22-N25 WeakPolarHBondContact O-CB 3.28Å; K22-N25 PolarHBondContact O-N 3.24Å; K22-N25 VanDerWaalsContact O-N 3.1Å; F23-N25 VanDerWaalsContact C-N 3.28Å; N25-Q27 VanDerWaalsContact C-N 3.26Å; N25-Q27 PolarHBondContact O-N 3.28Å; N25-Q27 VanDerWaalsContact OD1-CB 3.24Å; N25-Q27 WeakPolarHBondContact OD1-CB 3.21Å; N25-Q27 PolarHBondContact OD1-N 2.85Å; N25-Q27 VanDerWaalsContact OD1-N 3.09Å
26	C	69.7	Low	75	Confident	9 Å²	9	63.1 Å²	63.1	6%	0.061	34%	0.337	C	S	.	.			trans	-85.1	-2.3	-176.6	-53.8	0	0	0	0	112.9	F24 H28 V29 C30 C336	F24-C26 PolarHBondContact O-N 3.07Å; F24-C26 PolarHBondContact O-SG 3.36Å; C26-H28 PolarHBondContact O-N 3.08Å; C26-V29 PolarHBondContact O-N 3.36Å; C26-C30 PolarHBondContact O-N 3.36Å; C26-C336 WeakPolarHBondContact CA-SG 3.35Å; C26-C336 HydrophobicContact CB-CB 3.43Å; C26-C336 VanDerWaalsContact CB-CB 3.43Å; C26-C336 WeakPolarHBondContact CB-SG 3.49Å; C26-C336 WeakPolarHBondContact SG-CA 3.28Å; C26-C336 WeakPolarHBondContact SG-CB 3.33Å; C26-C336 CovalentContact SG-SG 2.03Å; C26-C336 PolarHBondContact SG-SG 3.24Å
27	Q	71.8	Confident	75.7	Confident	61 Å²	61	62.8 Å²	62.8	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-52.9	-41.6	-177.1	-163.1	65.4	28.2	0	0	112.3	N25 V29 C30 D31 E195	N25-Q27 VanDerWaalsContact C-N 3.26Å; N25-Q27 PolarHBondContact O-N 3.28Å; N25-Q27 VanDerWaalsContact OD1-CB 3.24Å; N25-Q27 WeakPolarHBondContact OD1-CB 3.21Å; N25-Q27 PolarHBondContact OD1-N 2.85Å; N25-Q27 VanDerWaalsContact OD1-N 3.09Å; Q27-V29 VanDerWaalsContact C-N 3.27Å; Q27-V29 PolarHBondContact O-N 3.28Å; Q27-C30 CarbonylContact O-C 3.55Å; Q27-C30 WeakPolarHBondContact O-CA 3.27Å; Q27-C30 WeakPolarHBondContact O-CB 3Å; Q27-C30 PolarHBondContact O-N 2.93Å; Q27-D31 PolarHBondContact NE2-OD1 2.91Å; Q27-D31 WeakPolarHBondContact O-CB 3.14Å; Q27-D31 PolarHBondContact O-N 3.29Å; Q27-E195 PolarHBondContact NE2-OE1 2.73Å; Q27-E195 PolarHBondContact OE1-OE1 3.14Å
28	H	75.7	Confident	76.5	Confident	127 Å²	127	67.5 Å²	67.5	59%	0.588	35%	0.346	S	S	*	.	H	α-helix	trans	-56.5	-39.2	179.7	-176.8	-74.8	0	0	0	113.1	C26 D31 E32	C26-H28 PolarHBondContact O-N 3.08Å; H28-D31 PolarHBondContact O-N 2.95Å; H28-E32 WeakPolarHBondContact O-CB 3.38Å; H28-E32 PolarHBondContact O-N 3.37Å
29	V	78.1	Confident	77.6	Confident	13 Å²	13	66 Å²	66	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-40.7	178.5	176.9	0	0	0	0	110.2	C26 Q27 E32 I33 C336 M337	C26-V29 PolarHBondContact O-N 3.36Å; Q27-V29 VanDerWaalsContact C-N 3.27Å; Q27-V29 PolarHBondContact O-N 3.28Å; V29-E32 PolarHBondContact O-N 3.24Å; V29-I33 HydrophobicContact CG1-CD1 4.17Å; V29-I33 VanDerWaalsContact O-CG1 3.29Å; V29-I33 WeakPolarHBondContact O-CG1 3.29Å; V29-I33 PolarHBondContact O-N 3.38Å; V29-C336 HydrophobicContact CG2-CB 4.47Å; V29-M337 HydrophobicContact CG1-CE 3.69Å; V29-M337 HydrophobicContact CG1-CG 4.19Å; V29-M337 HydrophobicContact CG2-CE 4.27Å
30	C	84	Confident	78.8	Confident	4 Å²	4	65 Å²	65	3%	0.027	33%	0.331	C	S	.	.	H	α-helix	trans	-69.8	-35	178.1	-67.5	0	0	0	0	112.6	C26 Q27 I33 N34 C192	C26-C30 PolarHBondContact O-N 3.36Å; Q27-C30 CarbonylContact O-C 3.55Å; Q27-C30 WeakPolarHBondContact O-CA 3.27Å; Q27-C30 WeakPolarHBondContact O-CB 3Å; Q27-C30 PolarHBondContact O-N 2.93Å; C30-I33 PolarHBondContact O-N 2.96Å; C30-N34 WeakPolarHBondContact O-CB 3.29Å; C30-N34 PolarHBondContact O-N 2.99Å; C30-N34 PolarHBondContact O-ND2 3.35Å; C30-C192 HydrophobicContact CB-CB 4.06Å; C30-C192 WeakPolarHBondContact CB-SG 3.36Å; C30-C192 VanDerWaalsContact SG-CA 3.55Å; C30-C192 WeakPolarHBondContact SG-CB 3.49Å; C30-C192 CovalentContact SG-SG 2.03Å; C30-C192 PolarHBondContact SG-SG 2.96Å
31	D	84.5	Confident	80.1	Confident	81 Å²	81	68.6 Å²	68.6	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-41.7	173.1	-64.6	-21.7	0	0	0	110.8	Q27 H28 N34 S35	Q27-D31 PolarHBondContact NE2-OD1 2.91Å; Q27-D31 WeakPolarHBondContact O-CB 3.14Å; Q27-D31 PolarHBondContact O-N 3.29Å; H28-D31 PolarHBondContact O-N 2.95Å; D31-N34 WeakPolarHBondContact O-CB 3.44Å; D31-N34 PolarHBondContact O-N 3.39Å; D31-S35 WeakPolarHBondContact O-CB 3.26Å; D31-S35 PolarHBondContact O-N 3.23Å
32	E	84.6	Confident	81.4	Confident	44 Å²	44	63.9 Å²	63.9	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-46.6	173.9	-170.5	-174.9	175	0	0	111.6	H28 V29 N34 S35 L36 Y54	H28-E32 WeakPolarHBondContact O-CB 3.38Å; H28-E32 PolarHBondContact O-N 3.37Å; V29-E32 PolarHBondContact O-N 3.24Å; E32-N34 VanDerWaalsContact C-N 3.29Å; E32-N34 PolarHBondContact O-N 3.17Å; E32-S35 PolarHBondContact O-N 3.33Å; E32-L36 PolarHBondContact O-N 2.88Å; E32-L36 VanDerWaalsContact O-N 3.1Å; E32-Y54 HydrophobicContact CB-CE2 4.4Å; E32-Y54 HydrophobicContact CG-CD2 4.04Å; E32-Y54 HydrophobicContact CG-CE2 4.11Å
33	I	87.5	Confident	82.8	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-55	-48.1	172.5	-70.2	164.2	0	0	0	109.9	V29 C30 S35 L36 K37 Y54 L190 R198 I200	V29-I33 HydrophobicContact CG1-CD1 4.17Å; V29-I33 VanDerWaalsContact O-CG1 3.29Å; V29-I33 WeakPolarHBondContact O-CG1 3.29Å; V29-I33 PolarHBondContact O-N 3.38Å; C30-I33 PolarHBondContact O-N 2.96Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 3.45Å; I33-L36 PolarHBondContact O-N 2.93Å; I33-K37 WeakPolarHBondContact O-CA 3.38Å; I33-K37 VanDerWaalsContact O-CB 3.22Å; I33-K37 WeakPolarHBondContact O-CB 3.3Å; I33-K37 PolarHBondContact O-N 2.92Å; I33-Y54 HydrophobicContact CB-CD2 4.32Å; I33-Y54 HydrophobicContact CB-CG 4.36Å; I33-Y54 HydrophobicContact CD1-CE1 4.08Å; I33-Y54 HydrophobicContact CD1-CE2 4.44Å; I33-Y54 HydrophobicContact CG1-CD1 3.71Å; I33-Y54 HydrophobicContact CG1-CD2 3.63Å; I33-Y54 HydrophobicContact CG1-CE1 3.58Å; I33-Y54 HydrophobicContact CG1-CE2 3.5Å; I33-Y54 HydrophobicContact CG1-CG 3.72Å; I33-Y54 VanDerWaalsContact CG1-CZ 3.46Å; I33-L190 HydrophobicContact CD1-CB 4.21Å; I33-L190 HydrophobicContact CD1-CD1 3.81Å; I33-L190 HydrophobicContact CG1-CD1 4.15Å; I33-R198 HydrophobicContact CG2-CB 3.68Å; I33-R198 HydrophobicContact CG2-CG 4.11Å; I33-I200 HydrophobicContact CG2-CD1 4.02Å; I33-I200 HydrophobicContact CG2-CG1 4.11Å
34	N	86.9	Confident	84.1	Confident	51 Å²	51	59.7 Å²	59.7	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-36.8	-179.3	-83.5	-39.8	0	0	0	113.2	C30 D31 E32 K37	C30-N34 WeakPolarHBondContact O-CB 3.29Å; C30-N34 PolarHBondContact O-N 2.99Å; C30-N34 PolarHBondContact O-ND2 3.35Å; D31-N34 WeakPolarHBondContact O-CB 3.44Å; D31-N34 PolarHBondContact O-N 3.39Å; E32-N34 VanDerWaalsContact C-N 3.29Å; E32-N34 PolarHBondContact O-N 3.17Å; N34-K37 PolarHBondContact OD1-NZ 3.46Å
35	S	87.3	Confident	85.3	Confident	98 Å²	98	61.1 Å²	61.1	69%	0.685	31%	0.311	S	S	*	.	H	α-helix	trans	-66.7	-36.9	177.9	-172.9	0	0	0	0	112.3	D31 E32 I33	D31-S35 WeakPolarHBondContact O-CB 3.26Å; D31-S35 PolarHBondContact O-N 3.23Å; E32-S35 PolarHBondContact O-N 3.33Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 3.45Å
36	L	90.1	Very high	86.6	Confident	22 Å²	22	64.3 Å²	64.3	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-112	2.2	-172.4	-65.7	173.4	0	0	0	115.2	E32 I33 Q38 G39 K40 Q52 Y53 Y54	E32-L36 PolarHBondContact O-N 2.88Å; E32-L36 VanDerWaalsContact O-N 3.1Å; I33-L36 PolarHBondContact O-N 2.93Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 3.26Å; L36-G39 PolarHBondContact O-N 2.93Å; L36-K40 HydrophobicContact CD2-CB 4.16Å; L36-Q52 HydrophobicContact CD1-CG 4.49Å; L36-Q52 HydrophobicContact CD2-CG 4.37Å; L36-Y53 WeakPolarHBondContact O-CA 3.42Å; L36-Y54 VanDerWaalsContact CB-N 3.34Å; L36-Y54 PolarHBondContact O-N 3.21Å
37	K	88.4	Confident	87.6	Confident	72 Å²	72	65.7 Å²	65.7	31%	0.313	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.8	-178.4	65.4	-175	173.6	-166.9	0	114.8	I33 N34 I200	I33-K37 WeakPolarHBondContact O-CA 3.38Å; I33-K37 VanDerWaalsContact O-CB 3.22Å; I33-K37 WeakPolarHBondContact O-CB 3.3Å; I33-K37 PolarHBondContact O-N 2.92Å; N34-K37 PolarHBondContact OD1-NZ 3.46Å; K37-I200 HydrophobicContact CB-CG1 4.11Å
38	Q	88.3	Confident	88.6	Confident	165 Å²	165	65.6 Å²	65.6	77%	0.771	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.4	176.7	-69	-174.7	1.2	0	0	113	L36 Y53	L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 3.26Å; Q38-Y53 VanDerWaalsContact C-CE1 3.46Å; Q38-Y53 WeakPolarHBondContact O-CE1 3.33Å
39	G	92.1	Very high	89.6	Confident	24 Å²	24	59.7 Å²	59.7	25%	0.247	31%	0.311	C	S	.	.			trans	76.6	137.8	-174.2	0	0	0	0	0	113.1	L36 Q52 Y53	L36-G39 PolarHBondContact O-N 2.93Å; G39-Q52 CarbonylContact C-O 3.58Å; G39-Q52 VanDerWaalsContact CA-O 3.27Å; G39-Q52 WeakPolarHBondContact CA-O 3.35Å; G39-Y53 VanDerWaalsContact N-CD1 3.34Å; G39-Y53 VanDerWaalsContact N-CE1 3.3Å
40	K	93.1	Very high	90.4	Very high	93 Å²	93	59.1 Å²	59.1	40%	0.404	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109	168.1	-177.7	-179	176	-170	0	108.1	L36 V42 S51 Q52 M250	L36-K40 HydrophobicContact CD2-CB 4.16Å; K40-V42 WeakPolarHBondContact O-CG2 3.3Å; K40-V42 PolarHBondContact O-N 3.44Å; K40-S51 CarbonylContact O-C 3.48Å; K40-S51 WeakPolarHBondContact O-CA 3.44Å; K40-Q52 PolarHBondContact N-O 3.38Å; K40-Q52 PolarHBondContact O-N 3.48Å; K40-M250 HydrophobicContact CD-CE 4.31Å; K40-M250 HydrophobicContact CD-SD 4.01Å
41	K	94	Very high	90.9	Very high	120 Å²	120	59.4 Å²	59.4	52%	0.522	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	127.7	172.6	-172	179.1	-62.8	-172.2	0	109.4	E44	K41-E44 HydrophobicContact CD-CB 4.18Å; K41-E44 WeakPolarHBondContact CD-OE2 3.39Å; K41-E44 VanDerWaalsContact CE-OE2 3.24Å; K41-E44 WeakPolarHBondContact CE-OE2 3.46Å; K41-E44 IonicContact NZ-OE2 2.7Å; K41-E44 PolarHBondContact NZ-OE2 2.88Å
42	V	93.2	Very high	91.4	Very high	17 Å²	17	55.6 Å²	55.6	10%	0.103	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-48.9	-173.6	-175	0	0	0	0	110.6	K40 Y50 Q52 Y245 A248 M250 I252	K40-V42 WeakPolarHBondContact O-CG2 3.3Å; K40-V42 PolarHBondContact O-N 3.44Å; V42-Y50 HydrophobicContact CB-CD1 3.6Å; V42-Y50 HydrophobicContact CB-CE1 4.3Å; V42-Y50 HydrophobicContact CB-CG 4.41Å; V42-Y50 HydrophobicContact CG1-CD1 4.32Å; V42-Y50 HydrophobicContact CG2-CD1 3.38Å; V42-Y50 HydrophobicContact CG2-CE1 3.68Å; V42-Y50 PolarHBondContact N-O 3.35Å; V42-Q52 HydrophobicContact CG2-CB 4.27Å; V42-Y245 HydrophobicContact CG1-CD1 3.53Å; V42-Y245 HydrophobicContact CG1-CE1 3.96Å; V42-Y245 HydrophobicContact CG1-CG 4.21Å; V42-A248 HydrophobicContact CG1-CB 3.73Å; V42-M250 HydrophobicContact CB-CE 4.12Å; V42-M250 HydrophobicContact CG1-CE 3.94Å; V42-M250 HydrophobicContact CG2-CE 3.09Å; V42-I252 HydrophobicContact CG1-CG2 4.15Å
43	F	92.5	Very high	91.9	Very high	43 Å²	43	54.3 Å²	54.3	19%	0.189	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.2	173	67.7	-98.9	0	0	0	110.4	H48 A49 Y50 Y245 I252	F43-H48 HydrophobicContact CE2-CB 4.25Å; F43-A49 WeakPolarHBondContact O-CA 3.34Å; F43-Y50 HydrophobicContact CD1-CG 4.35Å; F43-Y50 HydrophobicContact CE1-CD2 4.15Å; F43-Y50 AromaticContact CE1-CG 3.81Å; F43-Y50 HydrophobicContact CE1-CG 3.81Å; F43-Y50 VanDerWaalsContact CZ-CB 3.42Å; F43-Y50 HydrophobicContact CZ-CD2 4.48Å; F43-Y50 HydrophobicContact CZ-CG 4.3Å; F43-Y50 PolarHBondContact N-O 3.1Å; F43-Y50 PolarHBondContact O-N 3.45Å; F43-Y245 HydrophobicContact CB-CE1 4.04Å; F43-Y245 VanDerWaalsContact CB-OH 3.31Å; F43-Y245 WeakPolarHBondContact CB-OH 3.24Å; F43-Y245 HydrophobicContact CD1-CE1 4.33Å; F43-Y245 HydrophobicContact CD1-CE2 4.2Å; F43-I252 HydrophobicContact CE1-CD1 4.34Å
44	E	93.5	Very high	92.2	Very high	75 Å²	75	54.8 Å²	54.8	35%	0.35	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	132.9	177.1	-169.8	-177.8	125.7	0	0	108.9	K41 H48 A49 K207 W208	K41-E44 HydrophobicContact CD-CB 4.18Å; K41-E44 WeakPolarHBondContact CD-OE2 3.39Å; K41-E44 VanDerWaalsContact CE-OE2 3.24Å; K41-E44 WeakPolarHBondContact CE-OE2 3.46Å; K41-E44 IonicContact NZ-OE2 2.7Å; K41-E44 PolarHBondContact NZ-OE2 2.88Å; E44-H48 CarbonylContact C-O 3.56Å; E44-H48 WeakPolarHBondContact CA-O 3.29Å; E44-A49 HydrophobicContact CB-CB 4.42Å; E44-A49 HydrophobicContact CG-CB 4Å; E44-K207 WeakPolarHBondContact OE1-CE 3.5Å; E44-K207 IonicContact OE1-NZ 3.54Å; E44-K207 PolarHBondContact OE1-NZ 3.46Å; E44-K207 IonicContact OE2-NZ 2.66Å; E44-W208 HydrophobicContact CG-CZ2 3.81Å
45	D	92.3	Very high	92.4	Very high	73 Å²	73	54.6 Å²	54.6	39%	0.39	28%	0.281	S	S	.	.			trans	-129.7	-169.8	167	66	52.6	0	0	0	109.5	S47 H48 W208	D45-S47 PolarHBondContact O-N 3.44Å; D45-S47 WeakPolarHBondContact OD1-CA 3.32Å; D45-S47 PolarHBondContact OD1-N 3.34Å; D45-S47 PolarHBondContact OD1-OG 3.43Å; D45-H48 PolarHBondContact N-O 3.03Å; D45-H48 PolarHBondContact OD1-N 2.85Å; D45-H48 IonicContact OD1-ND1 2.83Å; D45-H48 IonicContact OD2-ND1 2.55Å; D45-W208 VanDerWaalsContact O-CH2 3.28Å; D45-W208 WeakPolarHBondContact O-CH2 3.29Å
46	D	90.5	Very high	92.8	Very high	154 Å²	154	50 Å²	50	82%	0.824	25%	0.249	S	C	*	.	S	Bend	trans	-67.9	-15.6	-177.1	-64.2	-32	0	0	0	114.2
47	S	91.9	Very high	93	Very high	39 Å²	39	49 Å²	49	27%	0.273	24%	0.243	S	C	.	.	S	Bend	trans	-126.6	-21.8	-168.9	58.4	0	0	0	0	114.8	D45 V62	D45-S47 PolarHBondContact O-N 3.44Å; D45-S47 WeakPolarHBondContact OD1-CA 3.32Å; D45-S47 PolarHBondContact OD1-N 3.34Å; D45-S47 PolarHBondContact OD1-OG 3.43Å; S47-V62 PolarHBondContact O-N 3.44Å
48	H	92.9	Very high	93.4	Very high	58 Å²	58	45.8 Å²	45.8	27%	0.269	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.5	-176.8	-56.2	85.5	0	0	0	111.6	F43 E44 D45 I60	F43-H48 HydrophobicContact CE2-CB 4.25Å; E44-H48 CarbonylContact C-O 3.56Å; E44-H48 WeakPolarHBondContact CA-O 3.29Å; D45-H48 PolarHBondContact N-O 3.03Å; D45-H48 PolarHBondContact OD1-N 2.85Å; D45-H48 IonicContact OD1-ND1 2.83Å; D45-H48 IonicContact OD2-ND1 2.55Å; H48-I60 VanDerWaalsContact CA-O 3.25Å; H48-I60 WeakPolarHBondContact CA-O 3.35Å
49	A	95	Very high	93.7	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.033	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.1	165.9	0	0	0	0	0	110.3	F43 E44 I59 I60 W208	F43-A49 WeakPolarHBondContact O-CA 3.34Å; E44-A49 HydrophobicContact CB-CB 4.42Å; E44-A49 HydrophobicContact CG-CB 4Å; A49-I59 WeakPolarHBondContact O-CA 3.24Å; A49-I60 HydrophobicContact CB-CB 4.12Å; A49-I60 HydrophobicContact CB-CD1 4.39Å; A49-I60 HydrophobicContact CB-CG1 4.43Å; A49-I60 PolarHBondContact N-O 3.26Å; A49-I60 PolarHBondContact O-N 3.48Å; A49-W208 HydrophobicContact CB-CZ2 3.83Å
50	Y	95.5	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.5	170.2	-175.5	-70.2	0	0	0	109.5	V42 F43 Q52 S57 Q58 I59 I252 V253 T255	V42-Y50 HydrophobicContact CB-CD1 3.6Å; V42-Y50 HydrophobicContact CB-CE1 4.3Å; V42-Y50 HydrophobicContact CB-CG 4.41Å; V42-Y50 HydrophobicContact CG1-CD1 4.32Å; V42-Y50 HydrophobicContact CG2-CD1 3.38Å; V42-Y50 HydrophobicContact CG2-CE1 3.68Å; V42-Y50 PolarHBondContact N-O 3.35Å; F43-Y50 HydrophobicContact CD1-CG 4.35Å; F43-Y50 HydrophobicContact CE1-CD2 4.15Å; F43-Y50 AromaticContact CE1-CG 3.81Å; F43-Y50 HydrophobicContact CE1-CG 3.81Å; F43-Y50 VanDerWaalsContact CZ-CB 3.42Å; F43-Y50 HydrophobicContact CZ-CD2 4.48Å; F43-Y50 HydrophobicContact CZ-CG 4.3Å; F43-Y50 PolarHBondContact N-O 3.1Å; F43-Y50 PolarHBondContact O-N 3.45Å; Y50-Q52 HydrophobicContact CE1-CB 4.22Å; Y50-Q52 PolarHBondContact OH-OE1 2.9Å; Y50-S57 VanDerWaalsContact CZ-CB 3.48Å; Y50-S57 WeakPolarHBondContact OH-CB 3.24Å; Y50-Q58 CarbonylContact C-O 3.6Å; Y50-Q58 WeakPolarHBondContact CA-O 3.19Å; Y50-I59 HydrophobicContact CD2-CD1 4.47Å; Y50-I59 HydrophobicContact CD2-CG1 3.83Å; Y50-I59 HydrophobicContact CE2-CD1 4.48Å; Y50-I59 HydrophobicContact CE2-CG1 4.13Å; Y50-I252 HydrophobicContact CE1-CB 4.16Å; Y50-I252 HydrophobicContact CE1-CG2 3.85Å; Y50-I252 HydrophobicContact CE2-CB 4.34Å; Y50-I252 HydrophobicContact CE2-CD1 4.39Å; Y50-V253 PolarHBondContact OH-N 3.44Å; Y50-T255 HydrophobicContact CD2-CG2 3.72Å; Y50-T255 HydrophobicContact CE2-CG2 4Å
51	S	95.7	Very high	94	Very high	10 Å²	10	34.5 Å²	34.5	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.8	172.1	-63.1	0	0	0	0	110.8	K40 Q58	K40-S51 CarbonylContact O-C 3.48Å; K40-S51 WeakPolarHBondContact O-CA 3.44Å; S51-Q58 PolarHBondContact N-O 3.22Å; S51-Q58 PolarHBondContact O-N 3.05Å
52	Q	94.9	Very high	94	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.4	176.1	-174.1	57.8	52.2	0	0	110.2	L36 G39 K40 V42 Y50 Y56 S220 P224 M250	L36-Q52 HydrophobicContact CD1-CG 4.49Å; L36-Q52 HydrophobicContact CD2-CG 4.37Å; G39-Q52 CarbonylContact C-O 3.58Å; G39-Q52 VanDerWaalsContact CA-O 3.27Å; G39-Q52 WeakPolarHBondContact CA-O 3.35Å; K40-Q52 PolarHBondContact N-O 3.38Å; K40-Q52 PolarHBondContact O-N 3.48Å; V42-Q52 HydrophobicContact CG2-CB 4.27Å; Y50-Q52 HydrophobicContact CE1-CB 4.22Å; Y50-Q52 PolarHBondContact OH-OE1 2.9Å; Q52-Y56 PolarHBondContact NE2-O 3.05Å; Q52-S220 PolarHBondContact NE2-OG 3.5Å; Q52-P224 VanDerWaalsContact CD-CG 3.42Å; Q52-P224 HydrophobicContact CG-CB 4.11Å; Q52-P224 HydrophobicContact CG-CG 4.05Å; Q52-M250 HydrophobicContact CB-CE 4.06Å
53	Y	95.1	Very high	93.9	Very high	18 Å²	18	35.1 Å²	35.1	7%	0.071	18%	0.179	C	C	.	.			trans	-109.2	174.7	170.9	-69	-102.4	0	0	0	109.8	L36 Q38 G39 H55 Y56 Q58 T202	L36-Y53 WeakPolarHBondContact O-CA 3.42Å; Q38-Y53 VanDerWaalsContact C-CE1 3.46Å; Q38-Y53 WeakPolarHBondContact O-CE1 3.33Å; G39-Y53 VanDerWaalsContact N-CD1 3.34Å; G39-Y53 VanDerWaalsContact N-CE1 3.3Å; Y53-H55 PolarHBondContact O-N 2.81Å; Y53-Y56 CarbonylContact C-O 3.55Å; Y53-Y56 VanDerWaalsContact CA-O 3.32Å; Y53-Y56 WeakPolarHBondContact CA-O 3.19Å; Y53-Y56 WeakPolarHBondContact CB-O 3.46Å; Y53-Y56 PolarHBondContact N-O 3.19Å; Y53-Y56 VanDerWaalsContact O-O 3.08Å; Y53-Q58 HydrophobicContact CD2-CB 4.25Å; Y53-Q58 HydrophobicContact CE2-CB 4.07Å; Y53-T202 HydrophobicContact CD1-CG2 4.05Å; Y53-T202 HydrophobicContact CD2-CG2 3.73Å; Y53-T202 HydrophobicContact CE1-CG2 3.8Å; Y53-T202 HydrophobicContact CE2-CG2 3.47Å; Y53-T202 VanDerWaalsContact CE2-CG2 3.47Å; Y53-T202 HydrophobicContact CG-CG2 4.02Å
54	Y	92.1	Very high	93.9	Very high	14 Å²	14	35.9 Å²	35.9	6%	0.055	18%	0.183	C	C	.	.	S	Bend	trans	-63.5	132.6	168.6	179	-98.3	0	0	0	109.1	E32 I33 L36 Y56 Y91 L190 I200 M337	E32-Y54 HydrophobicContact CB-CE2 4.4Å; E32-Y54 HydrophobicContact CG-CD2 4.04Å; E32-Y54 HydrophobicContact CG-CE2 4.11Å; I33-Y54 HydrophobicContact CB-CD2 4.32Å; I33-Y54 HydrophobicContact CB-CG 4.36Å; I33-Y54 HydrophobicContact CD1-CE1 4.08Å; I33-Y54 HydrophobicContact CD1-CE2 4.44Å; I33-Y54 HydrophobicContact CG1-CD1 3.71Å; I33-Y54 HydrophobicContact CG1-CD2 3.63Å; I33-Y54 HydrophobicContact CG1-CE1 3.58Å; I33-Y54 HydrophobicContact CG1-CE2 3.5Å; I33-Y54 HydrophobicContact CG1-CG 3.72Å; I33-Y54 VanDerWaalsContact CG1-CZ 3.46Å; L36-Y54 VanDerWaalsContact CB-N 3.34Å; L36-Y54 PolarHBondContact O-N 3.21Å; Y54-Y56 PolarHBondContact O-N 3.46Å; Y54-Y91 HydrophobicContact CD1-CD1 4.03Å; Y54-Y91 HydrophobicContact CD1-CE1 4.05Å; Y54-Y91 HydrophobicContact CE1-CD1 4.29Å; Y54-Y91 VanDerWaalsContact O-CE1 3.31Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.02Å; Y54-L190 HydrophobicContact CD1-CD1 3.67Å; Y54-L190 HydrophobicContact CE1-CD1 3.43Å; Y54-L190 VanDerWaalsContact CE1-CD1 3.43Å; Y54-I200 HydrophobicContact CD1-CD1 3.6Å; Y54-I200 HydrophobicContact CG-CD1 4.14Å; Y54-M337 VanDerWaalsContact OH-CE 3.24Å; Y54-M337 WeakPolarHBondContact OH-CE 3.46Å
55	H	91.8	Very high	93.8	Very high	47 Å²	47	37.2 Å²	37.2	22%	0.218	20%	0.201	C	C	.	.	S	Bend	trans	65.6	-32.7	-179.5	-163.6	-74.4	0	0	0	116.6	Y53 Y91 G92 V219 S220	Y53-H55 PolarHBondContact O-N 2.81Å; H55-Y91 HydrophobicContact CB-CD1 3.48Å; H55-Y91 VanDerWaalsContact CB-CD1 3.48Å; H55-Y91 HydrophobicContact CB-CE1 3.67Å; H55-Y91 HydrophobicContact CB-CG 4.39Å; H55-Y91 AromaticContact CG-CD1 3.87Å; H55-G92 PolarHBondContact NE2-N 2.9Å; H55-G92 VanDerWaalsContact NE2-N 3.2Å; H55-V219 WeakPolarHBondContact O-CA 3.14Å; H55-S220 PolarHBondContact O-N 3.48Å
56	Y	95	Very high	93.6	Very high	1 Å²	1	36 Å²	36	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.8	-178.3	-74.9	-82.2	0	0	0	112.8	Q52 Y53 Y54 F90 Y91 G165 I167 E218 V219	Q52-Y56 PolarHBondContact NE2-O 3.05Å; Y53-Y56 CarbonylContact C-O 3.55Å; Y53-Y56 VanDerWaalsContact CA-O 3.32Å; Y53-Y56 WeakPolarHBondContact CA-O 3.19Å; Y53-Y56 WeakPolarHBondContact CB-O 3.46Å; Y53-Y56 PolarHBondContact N-O 3.19Å; Y53-Y56 VanDerWaalsContact O-O 3.08Å; Y54-Y56 PolarHBondContact O-N 3.46Å; Y56-F90 HydrophobicContact CE2-CD2 4.32Å; Y56-F90 HydrophobicContact CE2-CE2 4.22Å; Y56-Y91 HydrophobicContact CD2-CD1 4.49Å; Y56-Y91 HydrophobicContact CD2-CD2 4.21Å; Y56-Y91 HydrophobicContact CD2-CE1 4.01Å; Y56-Y91 AromaticContact CD2-CE2 3.67Å; Y56-Y91 HydrophobicContact CD2-CE2 3.67Å; Y56-Y91 AromaticContact CD2-CZ 3.57Å; Y56-Y91 AromaticContact CE2-CD2 3.69Å; Y56-Y91 HydrophobicContact CE2-CD2 3.69Å; Y56-Y91 HydrophobicContact CE2-CE1 4.4Å; Y56-Y91 AromaticContact CE2-CE2 3.53Å; Y56-Y91 HydrophobicContact CE2-CE2 3.53Å; Y56-Y91 HydrophobicContact CE2-CG 4.2Å; Y56-Y91 AromaticContact CE2-CZ 3.93Å; Y56-G165 WeakPolarHBondContact CE1-O 3.42Å; Y56-I167 HydrophobicContact CE1-CD1 4.34Å; Y56-E218 CarbonylContact C-O 3.55Å; Y56-E218 VanDerWaalsContact CA-O 3.24Å; Y56-E218 WeakPolarHBondContact CA-O 3Å; Y56-E218 WeakPolarHBondContact CD1-O 3.32Å; Y56-V219 HydrophobicContact CD1-CG2 4.41Å; Y56-V219 HydrophobicContact CE1-CG2 3.8Å
57	S	94.9	Very high	93.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.8	160.7	52.9	0	0	0	0	108.3	Y50 Y217 E218 S220	Y50-S57 VanDerWaalsContact CZ-CB 3.48Å; Y50-S57 WeakPolarHBondContact OH-CB 3.24Å; S57-Y217 VanDerWaalsContact O-CA 3.24Å; S57-Y217 WeakPolarHBondContact O-CA 3.43Å; S57-E218 PolarHBondContact N-O 2.86Å; S57-E218 PolarHBondContact O-N 2.8Å; S57-E218 PolarHBondContact OG-O 2.03Å; S57-S220 PolarHBondContact N-OG 2.77Å
58	Q	96.6	Very high	92.6	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.028	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122	173.3	-179.9	-171.8	63.4	0	0	108.5	Y50 S51 Y53 I60 T202 F203 V215 E216 Y217	Y50-Q58 CarbonylContact C-O 3.6Å; Y50-Q58 WeakPolarHBondContact CA-O 3.19Å; S51-Q58 PolarHBondContact N-O 3.22Å; S51-Q58 PolarHBondContact O-N 3.05Å; Y53-Q58 HydrophobicContact CD2-CB 4.25Å; Y53-Q58 HydrophobicContact CE2-CB 4.07Å; Q58-I60 HydrophobicContact CG-CG1 4.2Å; Q58-T202 HydrophobicContact CB-CG2 4.38Å; Q58-F203 PolarHBondContact NE2-O 3.09Å; Q58-V215 HydrophobicContact CG-CG1 3.82Å; Q58-E216 CarbonylContact C-O 3.54Å; Q58-E216 WeakPolarHBondContact CA-O 3.46Å; Q58-Y217 HydrophobicContact CB-CD1 3.97Å; Q58-Y217 HydrophobicContact CB-CE1 3.86Å; Q58-Y217 HydrophobicContact CG-CD1 4.08Å; Q58-Y217 HydrophobicContact CG-CE1 3.56Å; Q58-Y217 PolarHBondContact NE2-OH 2.94Å; Q58-Y217 VanDerWaalsContact NE2-OH 3.15Å
59	I	95.8	Very high	91.3	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127	174.6	-53.3	171.3	0	0	0	107.5	A49 Y50 R61 V215 E216 T255	A49-I59 WeakPolarHBondContact O-CA 3.24Å; Y50-I59 HydrophobicContact CD2-CD1 4.47Å; Y50-I59 HydrophobicContact CD2-CG1 3.83Å; Y50-I59 HydrophobicContact CE2-CD1 4.48Å; Y50-I59 HydrophobicContact CE2-CG1 4.13Å; I59-R61 HydrophobicContact CG2-CG 4.07Å; I59-V215 CarbonylContact O-C 3.45Å; I59-V215 WeakPolarHBondContact O-CA 3.07Å; I59-E216 HydrophobicContact CB-CB 4.48Å; I59-E216 PolarHBondContact N-O 3.28Å; I59-E216 PolarHBondContact O-N 2.86Å; I59-T255 HydrophobicContact CD1-CG2 3.98Å; I59-T255 HydrophobicContact CG1-CG2 4.47Å
60	I	95.7	Very high	90.3	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.2	175.3	-54.5	-177.2	0	0	0	107.7	H48 A49 Q58 W208 T213 V215	H48-I60 VanDerWaalsContact CA-O 3.25Å; H48-I60 WeakPolarHBondContact CA-O 3.35Å; A49-I60 HydrophobicContact CB-CB 4.12Å; A49-I60 HydrophobicContact CB-CD1 4.39Å; A49-I60 HydrophobicContact CB-CG1 4.43Å; A49-I60 PolarHBondContact N-O 3.26Å; A49-I60 PolarHBondContact O-N 3.48Å; Q58-I60 HydrophobicContact CG-CG1 4.2Å; I60-W208 HydrophobicContact CD1-CB 4.29Å; I60-W208 HydrophobicContact CD1-CD2 4.4Å; I60-W208 HydrophobicContact CD1-CG 3.85Å; I60-W208 HydrophobicContact CG2-CB 4Å; I60-W208 HydrophobicContact CG2-CD2 3.71Å; I60-W208 HydrophobicContact CG2-CE3 3.71Å; I60-W208 HydrophobicContact CG2-CG 3.84Å; I60-W208 HydrophobicContact CG2-CZ3 4.42Å; I60-T213 HydrophobicContact CG2-CG2 3.77Å; I60-V215 HydrophobicContact CD1-CG2 4.49Å; I60-V215 HydrophobicContact CG1-CG1 4.11Å; I60-V215 HydrophobicContact CG1-CG2 4.07Å; I60-V215 HydrophobicContact CG2-CG2 4.22Å
61	R	95.2	Very high	89.6	Confident	35 Å²	35	36.8 Å²	36.8	13%	0.132	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.6	175.2	-48.6	-171.7	-177.2	-116.8	5.8	109.7	I59 Q64 T213 L214 E216 T255	I59-R61 HydrophobicContact CG2-CG 4.07Å; R61-Q64 HydrophobicContact CB-CG 3.64Å; R61-T213 WeakPolarHBondContact O-CA 3.37Å; R61-L214 PolarHBondContact N-O 2.97Å; R61-L214 PolarHBondContact O-N 2.81Å; R61-E216 IonicContact NE-OE2 3.22Å; R61-T255 PolarHBondContact NH2-O 2.93Å
62	V	93.2	Very high	89.3	Confident	8 Å²	8	43 Å²	43	5%	0.048	23%	0.231	C	C	.	.	S	Bend	trans	-96.3	169.9	173.9	-52.4	0	0	0	0	111.1	S47 Q64 W208 K210 G212	S47-V62 PolarHBondContact O-N 3.44Å; V62-Q64 PolarHBondContact O-N 2.94Å; V62-Q64 PolarHBondContact O-NE2 3.45Å; V62-W208 HydrophobicContact CG1-CE3 3.62Å; V62-W208 HydrophobicContact CG1-CZ3 3.53Å; V62-K210 VanDerWaalsContact CG1-CE 3.46Å; V62-G212 CarbonylContact C-O 3.53Å
63	N	92.2	Very high	89.2	Confident	142 Å²	142	44.7 Å²	44.7	76%	0.759	24%	0.239	S	C	*	.	S	Bend	trans	55.2	31.3	179.8	-56.9	-29.4	0	0	0	113.4	G212	N63-G212 PolarHBondContact N-O 3.05Å
64	Q	93	Very high	89.2	Confident	58 Å²	58	49 Å²	49	27%	0.271	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-86.6	148.6	174.5	-57.9	-51.7	-62.7	0	0	110.2	R61 V62 Y170 G212 L214	R61-Q64 HydrophobicContact CB-CG 3.64Å; V62-Q64 PolarHBondContact O-N 2.94Å; V62-Q64 PolarHBondContact O-NE2 3.45Å; Q64-Y170 PolarHBondContact O-OH 3.4Å; Q64-G212 PolarHBondContact N-O 3.39Å; Q64-L214 HydrophobicContact CB-CB 3.99Å; Q64-L214 HydrophobicContact CG-CB 3.91Å
65	S	90.5	Very high	89.4	Confident	104 Å²	104	55.5 Å²	55.5	73%	0.727	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-74.4	160.5	164.9	-59.5	0	0	0	0	110.1
66	S	87.8	Confident	89.5	Confident	48 Å²	48	54.5 Å²	54.5	34%	0.336	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-52.2	129	171.9	172.5	0	0	0	0	110.1	I68 Y170	S66-I68 PolarHBondContact O-N 3.22Å; S66-I68 PolarHBondContact OG-N 3.27Å; S66-I68 PolarHBondContact OG-O 2.86Å; S66-I68 VanDerWaalsContact OG-O 3.08Å; S66-Y170 PolarHBondContact N-OH 3.48Å
67	P	84.4	Confident	89.5	Confident	30 Å²	30	60.4 Å²	60.4	20%	0.195	32%	0.319	C	S	.	.	S	Bend	trans	-73	-7.9	176.9	31.8	-36.6	0	0	0	112.4	L160 Y170 L214 V264	P67-L160 HydrophobicContact CB-CD2 4.32Å; P67-L160 HydrophobicContact CG-CD2 4.39Å; P67-Y170 HydrophobicContact CG-CG 4.44Å; P67-L214 HydrophobicContact CB-CD1 4.44Å; P67-L214 HydrophobicContact CG-CD1 3.91Å; P67-V264 WeakPolarHBondContact O-CB 3.32Å
68	I	77.7	Confident	89.4	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.092	33%	0.325	C	S	.	.			trans	-110.4	116.7	179.9	-52.6	-169.9	0	0	0	109.2	S66 C71 F73 A139 T158 L160	S66-I68 PolarHBondContact O-N 3.22Å; S66-I68 PolarHBondContact OG-N 3.27Å; S66-I68 PolarHBondContact OG-O 2.86Å; S66-I68 VanDerWaalsContact OG-O 3.08Å; I68-C71 HydrophobicContact CG2-CB 3.54Å; I68-F73 HydrophobicContact CD1-CZ 4.05Å; I68-F73 HydrophobicContact CG2-CE2 3.95Å; I68-F73 HydrophobicContact CG2-CZ 4.13Å; I68-A139 HydrophobicContact CD1-CB 3.42Å; I68-A139 VanDerWaalsContact CD1-CB 3.42Å; I68-T158 HydrophobicContact CD1-CG2 3.36Å; I68-T158 HydrophobicContact CG1-CG2 4.28Å; I68-L160 HydrophobicContact CD1-CD1 3.97Å; I68-L160 HydrophobicContact CG1-CD1 4.33Å; I68-L160 HydrophobicContact CG1-CD2 4.31Å
69	V	65.8	Low	89.2	Confident	59 Å²	59	66 Å²	66	36%	0.358	36%	0.356	S	S	.	.			trans	-121.6	131.3	173.7	-174.7	0	0	0	0	107.8	C71 C267	V69-C71 VanDerWaalsContact C-N 3.34Å; V69-C71 PolarHBondContact O-N 2.98Å; V69-C267 PolarHBondContact O-SG 3.07Å
70	D	73.4	Confident	89.1	Confident	146 Å²	146	71.3 Å²	71.3	78%	0.781	38%	0.376	S	S	*	.	S	Bend	trans	62.6	22.6	173.2	-58.2	-28.2	0	0	0	118.1
71	C	82.1	Confident	89.2	Confident	18 Å²	18	77.2 Å²	77.2	12%	0.122	40%	0.402	C	S	.	.			trans	-76.7	138.5	171.1	-85.5	0	0	0	0	112.5	I68 V69 F73 C267	I68-C71 HydrophobicContact CG2-CB 3.54Å; V69-C71 VanDerWaalsContact C-N 3.34Å; V69-C71 PolarHBondContact O-N 2.98Å; C71-F73 HydrophobicContact CB-CD2 4.2Å; C71-F73 HydrophobicContact CB-CE2 3.75Å; C71-F73 HydrophobicContact CB-CZ 4.38Å; C71-F73 WeakPolarHBondContact O-CD2 3.28Å; C71-F73 PolarHBondContact O-N 3.48Å; C71-C267 WeakPolarHBondContact CA-SG 3.29Å; C71-C267 HydrophobicContact CB-CB 3.97Å; C71-C267 WeakPolarHBondContact CB-SG 3.47Å; C71-C267 PolarHBondContact N-SG 2.89Å; C71-C267 WeakPolarHBondContact SG-CB 3.42Å; C71-C267 CovalentContact SG-SG 2.04Å; C71-C267 PolarHBondContact SG-SG 2.84Å
72	K	88.2	Confident	89.1	Confident	140 Å²	140	76.1 Å²	76.1	61%	0.609	40%	0.399	S	S	*	.			trans	-78.5	108.7	172.2	-169.3	-170.4	-179.7	-143.9	0	108.9	E74 S132	K72-E74 IonicContact NZ-OE1 3.87Å; K72-E74 PolarHBondContact NZ-OE1 3.37Å; K72-S132 VanDerWaalsContact O-CB 3.25Å; K72-S132 WeakPolarHBondContact O-CB 3.4Å; K72-S132 PolarHBondContact O-OG 2.87Å
73	F	93.4	Very high	89.2	Confident	37 Å²	37	82.1 Å²	82.1	16%	0.162	43%	0.429	C	S	.	.			trans	-95.2	136.1	174.2	-78.2	-84	0	0	0	111.1	I68 C71 E130 I131 A139 R141	I68-F73 HydrophobicContact CD1-CZ 4.05Å; I68-F73 HydrophobicContact CG2-CE2 3.95Å; I68-F73 HydrophobicContact CG2-CZ 4.13Å; C71-F73 HydrophobicContact CB-CD2 4.2Å; C71-F73 HydrophobicContact CB-CE2 3.75Å; C71-F73 HydrophobicContact CB-CZ 4.38Å; C71-F73 WeakPolarHBondContact O-CD2 3.28Å; C71-F73 PolarHBondContact O-N 3.48Å; F73-E130 HydrophobicContact CB-CB 4.13Å; F73-E130 HydrophobicContact CD1-CB 3.85Å; F73-E130 HydrophobicContact CG-CB 4.34Å; F73-I131 WeakPolarHBondContact CA-O 3.42Å; F73-A139 HydrophobicContact CE1-CB 3.95Å; F73-A139 HydrophobicContact CZ-CB 3.94Å; F73-R141 HydrophobicContact CD1-CB 4.29Å; F73-R141 HydrophobicContact CE1-CB 3.84Å; F73-R141 HydrophobicContact CZ-CB 4.42Å
74	E	94.9	Very high	89.2	Confident	108 Å²	108	76.3 Å²	76.3	51%	0.505	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.5	173.8	-63.1	-176.1	174.7	0	0	109.4	K72 E130 I131	K72-E74 IonicContact NZ-OE1 3.87Å; K72-E74 PolarHBondContact NZ-OE1 3.37Å; E74-E130 CarbonylContact O-C 3.6Å; E74-E130 VanDerWaalsContact O-CA 3.31Å; E74-E130 WeakPolarHBondContact O-CA 3.29Å; E74-I131 PolarHBondContact N-O 3.3Å; E74-I131 PolarHBondContact O-N 3.19Å
75	K	95.9	Very high	89.2	Confident	150 Å²	150	79.1 Å²	79.1	65%	0.652	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	142.3	176.7	-68	-172.3	-179.9	-165.2	0	110.2	Y129 E130	K75-Y129 WeakPolarHBondContact CA-O 3.24Å; K75-E130 HydrophobicContact CG-CG 4.12Å
76	F	94.9	Very high	89.4	Confident	27 Å²	27	75.2 Å²	75.2	12%	0.118	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	171.4	175.7	76.1	-79.7	0	0	0	111.8	P78 Y80 I100 Y129 I131 H140	F76-P78 HydrophobicContact CD2-CG 4.39Å; F76-P78 HydrophobicContact CE2-CB 4.2Å; F76-P78 HydrophobicContact CE2-CG 3.72Å; F76-P78 HydrophobicContact CZ-CG 4.27Å; F76-Y80 HydrophobicContact CD2-CD1 4.27Å; F76-Y80 HydrophobicContact CD2-CG 4.05Å; F76-Y80 HydrophobicContact CG-CD1 4.49Å; F76-I100 HydrophobicContact CE1-CG2 4.38Å; F76-I100 HydrophobicContact CE2-CB 4.24Å; F76-I100 HydrophobicContact CE2-CG2 3.88Å; F76-I100 HydrophobicContact CZ-CB 4.25Å; F76-I100 HydrophobicContact CZ-CG2 3.43Å; F76-I100 VanDerWaalsContact CZ-CG2 3.43Å; F76-Y129 VanDerWaalsContact CE1-CB 3.43Å; F76-Y129 HydrophobicContact CZ-CG 4.44Å; F76-Y129 PolarHBondContact N-O 2.94Å; F76-Y129 VanDerWaalsContact N-O 3.07Å; F76-I131 HydrophobicContact CD1-CB 3.92Å; F76-I131 HydrophobicContact CD1-CG2 3.78Å; F76-I131 HydrophobicContact CE1-CB 3.93Å; F76-I131 HydrophobicContact CE1-CG2 4.31Å; F76-I131 HydrophobicContact CG-CG2 4.4Å; F76-H140 AromaticContact CE1-CD2 3.89Å; F76-H140 AromaticContact CZ-CD2 3.8Å; F76-H140 AromaticContact CZ-NE2 3.91Å
77	V	94.9	Very high	89.6	Confident	125 Å²	125	80.6 Å²	80.6	76%	0.758	40%	0.404	S	S	*	.			trans	-116.3	120.1	174.6	-179.1	0	0	0	0	108.6
78	P	92.5	Very high	90.1	Very high	19 Å²	19	79.4 Å²	79.4	12%	0.123	40%	0.396	C	S	.	.	S	Bend	trans	-68.9	153.5	178	-18.6	29	0	0	0	113.5	F76 K102 Y129	F76-P78 HydrophobicContact CD2-CG 4.39Å; F76-P78 HydrophobicContact CE2-CB 4.2Å; F76-P78 HydrophobicContact CE2-CG 3.72Å; F76-P78 HydrophobicContact CZ-CG 4.27Å; P78-K102 HydrophobicContact CB-CG 4.14Å; P78-K102 HydrophobicContact CG-CG 4.34Å; P78-Y129 HydrophobicContact CG-CD1 3.94Å; P78-Y129 HydrophobicContact CG-CD2 3.52Å; P78-Y129 HydrophobicContact CG-CE1 4.15Å; P78-Y129 HydrophobicContact CG-CE2 3.7Å; P78-Y129 HydrophobicContact CG-CG 3.61Å
79	P	92.9	Very high	90.9	Very high	105 Å²	105	83.1 Å²	83.1	68%	0.682	41%	0.413	S	S	*	.	S	Bend	cis	-77.2	151.2	-3.4	32.8	-34.8	0	0	0	112	I100	P79-I100 WeakPolarHBondContact CA-O 3.44Å
80	Y	93.4	Very high	92.3	Very high	116 Å²	116	80.4 Å²	80.4	46%	0.455	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	119.5	179	-169.2	-119.2	0	0	0	110.9	F76 I82 I100	F76-Y80 HydrophobicContact CD2-CD1 4.27Å; F76-Y80 HydrophobicContact CD2-CG 4.05Å; F76-Y80 HydrophobicContact CG-CD1 4.49Å; Y80-I82 HydrophobicContact CD1-CD1 3.81Å; Y80-I82 HydrophobicContact CD1-CG1 3.75Å; Y80-I82 HydrophobicContact CE1-CD1 3.86Å; Y80-I82 HydrophobicContact CE1-CG1 3.72Å; Y80-I100 PolarHBondContact N-O 2.89Å; Y80-I100 WeakPolarHBondContact O-CB 3.48Å; Y80-I100 WeakPolarHBondContact O-CG1 3.45Å; Y80-I100 PolarHBondContact O-N 3.38Å
81	K	95.9	Very high	93.2	Very high	129 Å²	129	73.6 Å²	73.6	56%	0.561	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.7	-177.3	-70.5	-177	178.1	-175.3	0	110.9	I97 F98 D99	K81-I97 HydrophobicContact CB-CG2 4.07Å; K81-I97 HydrophobicContact CD-CG2 4.38Å; K81-I97 HydrophobicContact CG-CG2 4.21Å; K81-F98 WeakPolarHBondContact CA-O 3.46Å; K81-D99 WeakPolarHBondContact CE-OD2 3.33Å; K81-D99 HydrophobicContact CG-CB 4.14Å
82	I	94.6	Very high	93.5	Very high	12 Å²	12	73 Å²	73	6%	0.062	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.5	-177.5	-66.6	176.1	0	0	0	109.6	Y80 I97 F98 I100 I131 N133 L138	Y80-I82 HydrophobicContact CD1-CD1 3.81Å; Y80-I82 HydrophobicContact CD1-CG1 3.75Å; Y80-I82 HydrophobicContact CE1-CD1 3.86Å; Y80-I82 HydrophobicContact CE1-CG1 3.72Å; I82-I97 WeakPolarHBondContact O-CA 3.45Å; I82-F98 PolarHBondContact N-O 3.49Å; I82-F98 PolarHBondContact O-N 3.43Å; I82-I100 HydrophobicContact CD1-CG1 4.07Å; I82-I131 HydrophobicContact CD1-CD1 3.22Å; I82-I131 HydrophobicContact CD1-CG1 3.76Å; I82-N133 HydrophobicContact CG2-CB 4.37Å; I82-N133 VanDerWaalsContact CG2-ND2 3.26Å; I82-N133 WeakPolarHBondContact CG2-ND2 3.31Å; I82-L138 HydrophobicContact CD1-CD1 4.28Å; I82-L138 HydrophobicContact CG2-CD1 3.95Å
83	I	95.4	Very high	93.7	Very high	134 Å²	134	66.4 Å²	66.4	69%	0.687	33%	0.328	S	S	*	.			trans	-82.5	124.2	163.7	-60.1	173.4	0	0	0	106.6
84	P	92.4	Very high	93.7	Very high	20 Å²	20	68.7 Å²	68.7	13%	0.13	34%	0.342	C	S	.	.			trans	-62.2	142.9	178.9	26.8	-33.7	0	0	0	111.2	F86 T96 F98	P84-F86 WeakPolarHBondContact CB-O 3.46Å; P84-F86 PolarHBondContact O-N 2.91Å; P84-T96 VanDerWaalsContact CD-O 3.29Å; P84-T96 WeakPolarHBondContact CD-O 3.5Å; P84-F98 HydrophobicContact CB-CD2 4.03Å; P84-F98 HydrophobicContact CB-CE2 3.61Å; P84-F98 HydrophobicContact CG-CE2 4.3Å
85	K	93.2	Very high	93.8	Very high	117 Å²	117	64 Å²	64	51%	0.509	32%	0.32	S	S	.	.	S	Bend	trans	-80.4	-1.4	173	-67.9	179.4	177.2	173	0	113.3	N133	K85-N133 WeakPolarHBondContact CD-O 3.31Å; K85-N133 WeakPolarHBondContact CE-O 3.06Å; K85-N133 PolarHBondContact NZ-O 2.88Å
86	F	93.6	Very high	93.9	Very high	21 Å²	21	59.4 Å²	59.4	9%	0.092	31%	0.305	C	S	.	.	S	Bend	trans	-134.6	160.1	179.7	51.8	-88.9	0	0	0	110.6	P84 F88 F98 E135 L138 I161 P163	P84-F86 WeakPolarHBondContact CB-O 3.46Å; P84-F86 PolarHBondContact O-N 2.91Å; F86-F88 HydrophobicContact CD2-CB 3.94Å; F86-F88 HydrophobicContact CE2-CB 3.78Å; F86-F88 HydrophobicContact CE2-CD2 4.04Å; F86-F88 HydrophobicContact CE2-CG 4.17Å; F86-F98 HydrophobicContact CZ-CE2 4.33Å; F86-E135 WeakPolarHBondContact CB-O 3.5Å; F86-E135 WeakPolarHBondContact CD1-O 3.44Å; F86-L138 HydrophobicContact CE1-CB 4.2Å; F86-L138 HydrophobicContact CZ-CB 4.1Å; F86-I161 HydrophobicContact CE2-CG2 4.33Å; F86-I161 HydrophobicContact CZ-CG2 4.3Å; F86-P163 HydrophobicContact CB-CB 4.17Å; F86-P163 HydrophobicContact CB-CG 3.94Å; F86-P163 HydrophobicContact CD1-CG 4.27Å; F86-P163 HydrophobicContact CD2-CB 3.87Å; F86-P163 HydrophobicContact CD2-CG 3.77Å; F86-P163 HydrophobicContact CE2-CG 4.31Å; F86-P163 HydrophobicContact CG-CB 4.17Å; F86-P163 HydrophobicContact CG-CG 3.74Å
87	L	92.4	Very high	94	Very high	161 Å²	161	60 Å²	60	84%	0.843	31%	0.309	S	S	*	.			trans	-74.5	131.1	170.5	-62.6	176.6	0	0	0	109.3
88	F	95.1	Very high	94.1	Very high	6 Å²	6	54 Å²	54	3%	0.026	27%	0.273	C	S	.	.			trans	-141.4	137.3	179.7	-177.1	-100.8	0	0	0	110.5	F86 F90 V95 F98 F107 I161 L162 G165 I167	F86-F88 HydrophobicContact CD2-CB 3.94Å; F86-F88 HydrophobicContact CE2-CB 3.78Å; F86-F88 HydrophobicContact CE2-CD2 4.04Å; F86-F88 HydrophobicContact CE2-CG 4.17Å; F88-F90 HydrophobicContact CE1-CB 4.05Å; F88-V95 HydrophobicContact CD1-CB 3.93Å; F88-V95 HydrophobicContact CD1-CG2 3.64Å; F88-V95 HydrophobicContact CE1-CG2 4.09Å; F88-V95 PolarHBondContact O-N 2.84Å; F88-F98 HydrophobicContact CB-CZ 4.42Å; F88-F98 HydrophobicContact CD1-CE1 4.06Å; F88-F98 AromaticContact CD1-CZ 3.87Å; F88-F98 HydrophobicContact CD1-CZ 3.87Å; F88-F98 HydrophobicContact CE1-CE1 4.29Å; F88-F98 HydrophobicContact CE1-CZ 4.41Å; F88-F98 HydrophobicContact CG-CZ 4.19Å; F88-F107 AromaticContact CE1-CD1 3.98Å; F88-F107 HydrophobicContact CE1-CD1 3.98Å; F88-F107 AromaticContact CE1-CE1 3.83Å; F88-F107 HydrophobicContact CE1-CE1 3.83Å; F88-F107 HydrophobicContact CZ-CE1 4.39Å; F88-I161 HydrophobicContact CD1-CG2 4.37Å; F88-I161 HydrophobicContact CD2-CG2 3.7Å; F88-I161 HydrophobicContact CE1-CG2 4.09Å; F88-I161 HydrophobicContact CE2-CG2 3.33Å; F88-I161 HydrophobicContact CG-CG2 4.2Å; F88-I161 HydrophobicContact CZ-CG2 3.57Å; F88-L162 VanDerWaalsContact CD2-O 3.29Å; F88-L162 WeakPolarHBondContact CD2-O 3.3Å; F88-L162 WeakPolarHBondContact CE2-O 3.48Å; F88-G165 VanDerWaalsContact CE2-CA 3.5Å; F88-I167 HydrophobicContact CZ-CD1 4.07Å; F88-I167 HydrophobicContact CZ-CG1 3.92Å
89	Q	94.1	Very high	94.3	Very high	96 Å²	96	54.6 Å²	54.6	45%	0.449	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.6	175.7	-71.7	-174.2	-17.9	0	0	110.9	S93 D94	Q89-S93 CarbonylContact C-O 3.56Å; Q89-S93 VanDerWaalsContact CA-O 3.29Å; Q89-S93 WeakPolarHBondContact CA-O 3.5Å; Q89-D94 WeakPolarHBondContact CG-OD1 3.49Å; Q89-D94 PolarHBondContact NE2-OD1 3.29Å
90	F	95.6	Very high	94.5	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.4	175.2	-175.7	-114.2	0	0	0	109.8	Y56 F88 G92 S93 V95 F107 L114 I167 L186 A188	Y56-F90 HydrophobicContact CE2-CD2 4.32Å; Y56-F90 HydrophobicContact CE2-CE2 4.22Å; F88-F90 HydrophobicContact CE1-CB 4.05Å; F90-G92 PolarHBondContact O-N 3.36Å; F90-S93 PolarHBondContact N-O 3.48Å; F90-S93 VanDerWaalsContact O-CB 3.31Å; F90-S93 WeakPolarHBondContact O-CB 2.93Å; F90-S93 PolarHBondContact O-N 3.25Å; F90-S93 PolarHBondContact O-OG 3.46Å; F90-V95 HydrophobicContact CB-CG2 3.59Å; F90-F107 HydrophobicContact CB-CB 4.35Å; F90-F107 HydrophobicContact CB-CD1 4.29Å; F90-F107 HydrophobicContact CB-CG 4.3Å; F90-F107 HydrophobicContact CD1-CB 3.94Å; F90-F107 AromaticContact CD1-CD2 3.93Å; F90-F107 HydrophobicContact CD1-CD2 3.93Å; F90-F107 AromaticContact CD1-CG 3.96Å; F90-F107 HydrophobicContact CD1-CG 3.96Å; F90-F107 HydrophobicContact CD2-CD1 4.32Å; F90-F107 HydrophobicContact CD2-CD2 4.1Å; F90-F107 HydrophobicContact CD2-CE1 4.32Å; F90-F107 HydrophobicContact CD2-CE2 4.11Å; F90-F107 HydrophobicContact CD2-CG 4.23Å; F90-F107 HydrophobicContact CD2-CZ 4.23Å; F90-F107 AromaticContact CE1-CD2 3.82Å; F90-F107 HydrophobicContact CE1-CD2 3.82Å; F90-F107 HydrophobicContact CE1-CE2 4.38Å; F90-F107 HydrophobicContact CE1-CG 4.33Å; F90-F107 HydrophobicContact CE2-CD2 4.01Å; F90-F107 AromaticContact CE2-CE2 3.81Å; F90-F107 HydrophobicContact CE2-CE2 3.81Å; F90-F107 HydrophobicContact CE2-CZ 4.22Å; F90-F107 HydrophobicContact CG-CB 4.17Å; F90-F107 HydrophobicContact CG-CD1 4.18Å; F90-F107 HydrophobicContact CG-CD2 4.05Å; F90-F107 AromaticContact CG-CG 3.88Å; F90-F107 HydrophobicContact CG-CG 3.88Å; F90-F107 AromaticContact CZ-CD2 3.84Å; F90-F107 HydrophobicContact CZ-CD2 3.84Å; F90-F107 AromaticContact CZ-CE2 3.93Å; F90-F107 HydrophobicContact CZ-CE2 3.93Å; F90-L114 HydrophobicContact CD1-CB 3.91Å; F90-I167 HydrophobicContact CD2-CD1 3.85Å; F90-I167 HydrophobicContact CE2-CD1 3.82Å; F90-L186 HydrophobicContact CE2-CD1 3.79Å; F90-L186 HydrophobicContact CE2-CD2 4.24Å; F90-L186 HydrophobicContact CE2-CG 4.19Å; F90-L186 HydrophobicContact CZ-CD1 3.97Å; F90-L186 HydrophobicContact CZ-CG 4.28Å; F90-A188 HydrophobicContact CE1-CB 3.75Å; F90-A188 HydrophobicContact CZ-CB 4.02Å
91	Y	92.4	Very high	94.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.016	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	40.9	-168.9	-72.3	-97.5	0	0	0	111.9	Y54 H55 Y56 S93 A188 L190 I200	Y54-Y91 HydrophobicContact CD1-CD1 4.03Å; Y54-Y91 HydrophobicContact CD1-CE1 4.05Å; Y54-Y91 HydrophobicContact CE1-CD1 4.29Å; Y54-Y91 VanDerWaalsContact O-CE1 3.31Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.02Å; H55-Y91 HydrophobicContact CB-CD1 3.48Å; H55-Y91 VanDerWaalsContact CB-CD1 3.48Å; H55-Y91 HydrophobicContact CB-CE1 3.67Å; H55-Y91 HydrophobicContact CB-CG 4.39Å; H55-Y91 AromaticContact CG-CD1 3.87Å; Y56-Y91 HydrophobicContact CD2-CD1 4.49Å; Y56-Y91 HydrophobicContact CD2-CD2 4.21Å; Y56-Y91 HydrophobicContact CD2-CE1 4.01Å; Y56-Y91 AromaticContact CD2-CE2 3.67Å; Y56-Y91 HydrophobicContact CD2-CE2 3.67Å; Y56-Y91 AromaticContact CD2-CZ 3.57Å; Y56-Y91 AromaticContact CE2-CD2 3.69Å; Y56-Y91 HydrophobicContact CE2-CD2 3.69Å; Y56-Y91 HydrophobicContact CE2-CE1 4.4Å; Y56-Y91 AromaticContact CE2-CE2 3.53Å; Y56-Y91 HydrophobicContact CE2-CE2 3.53Å; Y56-Y91 HydrophobicContact CE2-CG 4.2Å; Y56-Y91 AromaticContact CE2-CZ 3.93Å; Y91-S93 PolarHBondContact O-N 2.82Å; Y91-A188 HydrophobicContact CD1-CB 4.45Å; Y91-A188 HydrophobicContact CD2-CB 3.49Å; Y91-A188 VanDerWaalsContact CD2-CB 3.49Å; Y91-A188 HydrophobicContact CE1-CB 4.34Å; Y91-A188 HydrophobicContact CE2-CB 3.38Å; Y91-A188 HydrophobicContact CG-CB 4.05Å; Y91-L190 HydrophobicContact CD1-CD1 3.95Å; Y91-L190 HydrophobicContact CD1-CD2 4.27Å; Y91-L190 HydrophobicContact CG-CD2 4.14Å; Y91-I200 HydrophobicContact CD1-CD1 4.33Å; Y91-I200 HydrophobicContact CE1-CD1 3.74Å
92	G	88.3	Confident	94.3	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	2.5	-179	0	0	0	0	0	116.1	H55 F90 L340	H55-G92 PolarHBondContact NE2-N 2.9Å; H55-G92 VanDerWaalsContact NE2-N 3.2Å; F90-G92 PolarHBondContact O-N 3.36Å; G92-L340 VanDerWaalsContact CA-CD2 3.44Å; G92-L340 WeakPolarHBondContact O-CA 3.39Å; G92-L340 VanDerWaalsContact O-CD2 3.26Å; G92-L340 WeakPolarHBondContact O-CD2 3.13Å; G92-L340 VanDerWaalsContact O-CG 3.29Å; G92-L340 WeakPolarHBondContact O-CG 2.98Å
93	S	91.1	Very high	94.2	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.7	179.4	-42.2	0	0	0	0	109.7	Q89 F90 Y91 V95 S339	Q89-S93 CarbonylContact C-O 3.56Å; Q89-S93 VanDerWaalsContact CA-O 3.29Å; Q89-S93 WeakPolarHBondContact CA-O 3.5Å; F90-S93 PolarHBondContact N-O 3.48Å; F90-S93 VanDerWaalsContact O-CB 3.31Å; F90-S93 WeakPolarHBondContact O-CB 2.93Å; F90-S93 PolarHBondContact O-N 3.25Å; F90-S93 PolarHBondContact O-OG 3.46Å; Y91-S93 PolarHBondContact O-N 2.82Å; S93-V95 PolarHBondContact O-N 3.03Å; S93-S339 VanDerWaalsContact CA-O 3.28Å; S93-S339 WeakPolarHBondContact CA-O 3.36Å; S93-S339 WeakPolarHBondContact CB-O 3.22Å; S93-S339 WeakPolarHBondContact OG-CB 3.44Å; S93-S339 PolarHBondContact OG-O 2.9Å; S93-S339 PolarHBondContact OG-OG 3.3Å
94	D	95	Very high	94.2	Very high	86 Å²	86	41.6 Å²	41.6	46%	0.46	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	129.2	178.1	-69.2	-24.4	0	0	0	111.2	Q89 N109	Q89-D94 WeakPolarHBondContact CG-OD1 3.49Å; Q89-D94 PolarHBondContact NE2-OD1 3.29Å; D94-N109 VanDerWaalsContact O-CB 3.3Å; D94-N109 WeakPolarHBondContact O-CB 3.24Å; D94-N109 PolarHBondContact O-ND2 3.46Å
95	V	96.8	Very high	94.4	Very high	8 Å²	8	40.7 Å²	40.7	5%	0.048	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-96	116.9	174.2	-178.4	0	0	0	0	108.9	F88 F90 S93 I97 F98 F107 L114	F88-V95 HydrophobicContact CD1-CB 3.93Å; F88-V95 HydrophobicContact CD1-CG2 3.64Å; F88-V95 HydrophobicContact CE1-CG2 4.09Å; F88-V95 PolarHBondContact O-N 2.84Å; F90-V95 HydrophobicContact CB-CG2 3.59Å; S93-V95 PolarHBondContact O-N 3.03Å; V95-I97 WeakPolarHBondContact CG1-O 3.22Å; V95-F98 HydrophobicContact CG1-CD1 3.9Å; V95-F98 HydrophobicContact CG1-CE1 3.74Å; V95-F98 HydrophobicContact CG1-CZ 4.25Å; V95-F107 HydrophobicContact CG1-CB 4.45Å; V95-F107 HydrophobicContact CG2-CB 4.12Å; V95-F107 HydrophobicContact CG2-CD1 4.21Å; V95-L114 HydrophobicContact CG2-CD1 3.98Å
96	T	96.8	Very high	94.6	Very high	54 Å²	54	36.6 Å²	36.6	33%	0.331	19%	0.191	S	C	.	.			trans	-98.5	-23.4	178.7	61.1	0	0	0	0	112.7	P84 M108 N109 G110	P84-T96 VanDerWaalsContact CD-O 3.29Å; P84-T96 WeakPolarHBondContact CD-O 3.5Å; T96-M108 PolarHBondContact N-O 3.42Å; T96-M108 PolarHBondContact OG1-O 2.81Å; T96-M108 VanDerWaalsContact OG1-O 3.14Å; T96-N109 WeakPolarHBondContact OG1-CA 3.39Å; T96-G110 PolarHBondContact OG1-N 2.03Å
97	I	97.6	Very high	94.8	Very high	39 Å²	39	35.6 Å²	35.6	20%	0.2	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	132.2	-178.2	-59.7	170.9	0	0	0	109	K81 I82 V95 M108	K81-I97 HydrophobicContact CB-CG2 4.07Å; K81-I97 HydrophobicContact CD-CG2 4.38Å; K81-I97 HydrophobicContact CG-CG2 4.21Å; I82-I97 WeakPolarHBondContact O-CA 3.45Å; V95-I97 WeakPolarHBondContact CG1-O 3.22Å; I97-M108 HydrophobicContact CB-CB 4.15Å; I97-M108 PolarHBondContact N-O 3.02Å; I97-M108 VanDerWaalsContact N-O 3.08Å; I97-M108 PolarHBondContact O-N 3.01Å
98	F	97.4	Very high	95	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.6	160.1	-64.2	-63	0	0	0	108.9	K81 I82 P84 F86 F88 V95 I100 I105 F107 L138 I161	K81-F98 WeakPolarHBondContact CA-O 3.46Å; I82-F98 PolarHBondContact N-O 3.49Å; I82-F98 PolarHBondContact O-N 3.43Å; P84-F98 HydrophobicContact CB-CD2 4.03Å; P84-F98 HydrophobicContact CB-CE2 3.61Å; P84-F98 HydrophobicContact CG-CE2 4.3Å; F86-F98 HydrophobicContact CZ-CE2 4.33Å; F88-F98 HydrophobicContact CB-CZ 4.42Å; F88-F98 HydrophobicContact CD1-CE1 4.06Å; F88-F98 AromaticContact CD1-CZ 3.87Å; F88-F98 HydrophobicContact CD1-CZ 3.87Å; F88-F98 HydrophobicContact CE1-CE1 4.29Å; F88-F98 HydrophobicContact CE1-CZ 4.41Å; F88-F98 HydrophobicContact CG-CZ 4.19Å; V95-F98 HydrophobicContact CG1-CD1 3.9Å; V95-F98 HydrophobicContact CG1-CE1 3.74Å; V95-F98 HydrophobicContact CG1-CZ 4.25Å; F98-I100 HydrophobicContact CB-CD1 3.95Å; F98-I105 HydrophobicContact CB-CG2 4.01Å; F98-I105 HydrophobicContact CD1-CG2 3.7Å; F98-I105 HydrophobicContact CG-CG2 4.22Å; F98-F107 AromaticContact CD1-CD1 3.89Å; F98-F107 HydrophobicContact CD1-CD1 3.89Å; F98-F107 HydrophobicContact CD1-CE1 4.22Å; F98-F107 AromaticContact CE1-CD1 3.55Å; F98-F107 HydrophobicContact CE1-CD1 3.55Å; F98-F107 AromaticContact CE1-CE1 3.71Å; F98-F107 HydrophobicContact CE1-CE1 3.71Å; F98-L138 HydrophobicContact CD2-CD1 3.59Å; F98-L138 HydrophobicContact CD2-CD2 4.39Å; F98-L138 HydrophobicContact CD2-CG 4.46Å; F98-L138 HydrophobicContact CE2-CB 4.4Å; F98-L138 HydrophobicContact CE2-CD1 4.04Å; F98-L138 HydrophobicContact CG-CD1 4.32Å; F98-I161 HydrophobicContact CD1-CD1 4.15Å; F98-I161 HydrophobicContact CE1-CD1 3.68Å; F98-I161 HydrophobicContact CE1-CG2 4.45Å; F98-I161 HydrophobicContact CZ-CD1 4.04Å; F98-I161 HydrophobicContact CZ-CG2 3.96Å
99	D	97	Very high	95	Very high	32 Å²	32	31 Å²	31	17%	0.171	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	106.1	172.9	-170.2	-9.2	0	0	0	109.2	K81 G101 T106 M108	K81-D99 WeakPolarHBondContact CE-OD2 3.33Å; K81-D99 HydrophobicContact CG-CB 4.14Å; D99-G101 PolarHBondContact O-N 3.41Å; D99-T106 PolarHBondContact N-O 3.13Å; D99-T106 PolarHBondContact O-N 3.22Å; D99-M108 HydrophobicContact CB-SD 3.87Å
100	I	96.1	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.5	-173.4	-44.2	-65.5	0	0	0	108.6	F76 P79 Y80 I82 F98 I105 I131 L138 H140	F76-I100 HydrophobicContact CE1-CG2 4.38Å; F76-I100 HydrophobicContact CE2-CB 4.24Å; F76-I100 HydrophobicContact CE2-CG2 3.88Å; F76-I100 HydrophobicContact CZ-CB 4.25Å; F76-I100 HydrophobicContact CZ-CG2 3.43Å; F76-I100 VanDerWaalsContact CZ-CG2 3.43Å; P79-I100 WeakPolarHBondContact CA-O 3.44Å; Y80-I100 PolarHBondContact N-O 2.89Å; Y80-I100 WeakPolarHBondContact O-CB 3.48Å; Y80-I100 WeakPolarHBondContact O-CG1 3.45Å; Y80-I100 PolarHBondContact O-N 3.38Å; I82-I100 HydrophobicContact CD1-CG1 4.07Å; F98-I100 HydrophobicContact CB-CD1 3.95Å; I100-I105 HydrophobicContact CD1-CB 4.24Å; I100-I105 HydrophobicContact CD1-CD1 4.16Å; I100-I105 HydrophobicContact CD1-CG1 3.72Å; I100-I105 HydrophobicContact CD1-CG2 3.9Å; I100-I131 HydrophobicContact CB-CD1 4.44Å; I100-I131 HydrophobicContact CD1-CD1 3.96Å; I100-I131 HydrophobicContact CG1-CD1 3.67Å; I100-I131 HydrophobicContact CG2-CD1 4.22Å; I100-L138 HydrophobicContact CD1-CD2 4.28Å; I100-H140 HydrophobicContact CG2-CB 4.36Å
101	G	93.3	Very high	94.9	Very high	23 Å²	23	33.8 Å²	33.8	24%	0.237	20%	0.199	C	C	.	.			trans	-90.6	-174.8	177.2	0	0	0	0	0	112.8	D99 Y103 G104	D99-G101 PolarHBondContact O-N 3.41Å; G101-Y103 PolarHBondContact O-N 3.5Å; G101-G104 PolarHBondContact N-O 3.25Å
102	K	92	Very high	94.9	Very high	119 Å²	119	38.4 Å²	38.4	52%	0.517	22%	0.219	S	C	.	.	S	Bend	trans	-59.7	-27.6	179.2	-67.1	-177.9	178.9	-179.4	0	114.1	P78 Y129	P78-K102 HydrophobicContact CB-CG 4.14Å; P78-K102 HydrophobicContact CG-CG 4.34Å; K102-Y129 HydrophobicContact CB-CE1 4.37Å; K102-Y129 WeakPolarHBondContact O-CE1 3.29Å
103	Y	92.5	Very high	95.2	Very high	75 Å²	75	43.2 Å²	43.2	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-126.3	1.4	-168.8	-55.9	-65.5	0	0	0	113.2	G101 F118 S119 H120 I124 L142	G101-Y103 PolarHBondContact O-N 3.5Å; Y103-F118 CarbonylContact O-C 3.44Å; Y103-F118 VanDerWaalsContact O-CA 3.26Å; Y103-F118 WeakPolarHBondContact O-CA 3.29Å; Y103-F118 WeakPolarHBondContact O-CB 3.41Å; Y103-S119 PolarHBondContact O-N 2.03Å; Y103-H120 AromaticContact CD1-CD2 3.75Å; Y103-H120 AromaticContact CD2-CD2 3.49Å; Y103-H120 VanDerWaalsContact CD2-CD2 3.49Å; Y103-H120 WeakPolarHBondContact CD2-CD2 2.96Å; Y103-H120 AromaticContact CE1-CD2 3.68Å; Y103-H120 AromaticContact CE2-CD2 3.42Å; Y103-H120 VanDerWaalsContact CE2-CD2 3.42Å; Y103-H120 WeakPolarHBondContact CE2-CD2 3.16Å; Y103-H120 AromaticContact CE2-NE2 3.89Å; Y103-H120 HydrophobicContact CG-CB 4.26Å; Y103-H120 AromaticContact CG-CD2 3.64Å; Y103-H120 AromaticContact CZ-CD2 3.51Å; Y103-H120 AromaticContact CZ-NE2 3.85Å; Y103-I124 HydrophobicContact CD1-CD1 4.22Å; Y103-I124 HydrophobicContact CE1-CD1 4.08Å; Y103-L142 HydrophobicContact CD1-CD2 4.37Å
104	G	94.8	Very high	95.3	Very high	6 Å²	6	43.5 Å²	43.5	6%	0.062	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-164.8	-168.7	0	0	0	0	0	114.1	G101 F117	G101-G104 PolarHBondContact N-O 3.25Å; G104-F117 CarbonylContact C-O 3.54Å; G104-F117 WeakPolarHBondContact CA-O 3.01Å
105	I	97.4	Very high	95.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.2	-170.6	-54.3	178	0	0	0	108.1	F98 I100 T116 F117 L138 H140 H159 I161	F98-I105 HydrophobicContact CB-CG2 4.01Å; F98-I105 HydrophobicContact CD1-CG2 3.7Å; F98-I105 HydrophobicContact CG-CG2 4.22Å; I100-I105 HydrophobicContact CD1-CB 4.24Å; I100-I105 HydrophobicContact CD1-CD1 4.16Å; I100-I105 HydrophobicContact CD1-CG1 3.72Å; I100-I105 HydrophobicContact CD1-CG2 3.9Å; I105-T116 CarbonylContact O-C 3.58Å; I105-T116 WeakPolarHBondContact O-CA 3.41Å; I105-F117 PolarHBondContact N-O 3.17Å; I105-F117 PolarHBondContact O-N 3.03Å; I105-L138 HydrophobicContact CD1-CD2 3.71Å; I105-H140 HydrophobicContact CD1-CB 4.01Å; I105-H140 HydrophobicContact CG1-CB 4.24Å; I105-H159 HydrophobicContact CD1-CB 4.12Å; I105-I161 HydrophobicContact CD1-CD1 3.58Å; I105-I161 HydrophobicContact CD1-CG1 4.42Å; I105-I161 HydrophobicContact CG2-CD1 4.17Å
106	T	97.6	Very high	95.4	Very high	31 Å²	31	41.3 Å²	41.3	19%	0.19	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.8	168.9	-54.3	0	0	0	0	108.9	D99 M108 I113 G115 T116	D99-T106 PolarHBondContact N-O 3.13Å; D99-T106 PolarHBondContact O-N 3.22Å; T106-M108 HydrophobicContact CG2-CG 4.07Å; T106-I113 HydrophobicContact CG2-CB 4.47Å; T106-I113 HydrophobicContact CG2-CD1 4.49Å; T106-I113 HydrophobicContact CG2-CG1 4.16Å; T106-I113 HydrophobicContact CG2-CG2 3.69Å; T106-G115 WeakPolarHBondContact CA-O 3.34Å; T106-G115 WeakPolarHBondContact CG2-O 3.37Å; T106-T116 HydrophobicContact CG2-CG2 4.09Å
107	F	97.5	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.2	177.6	-54.5	-85.5	0	0	0	109.3	F88 F90 V95 F98 L114 G115 F117 I161 I167 L186	F88-F107 AromaticContact CE1-CD1 3.98Å; F88-F107 HydrophobicContact CE1-CD1 3.98Å; F88-F107 AromaticContact CE1-CE1 3.83Å; F88-F107 HydrophobicContact CE1-CE1 3.83Å; F88-F107 HydrophobicContact CZ-CE1 4.39Å; F90-F107 HydrophobicContact CB-CB 4.35Å; F90-F107 HydrophobicContact CB-CD1 4.29Å; F90-F107 HydrophobicContact CB-CG 4.3Å; F90-F107 HydrophobicContact CD1-CB 3.94Å; F90-F107 AromaticContact CD1-CD2 3.93Å; F90-F107 HydrophobicContact CD1-CD2 3.93Å; F90-F107 AromaticContact CD1-CG 3.96Å; F90-F107 HydrophobicContact CD1-CG 3.96Å; F90-F107 HydrophobicContact CD2-CD1 4.32Å; F90-F107 HydrophobicContact CD2-CD2 4.1Å; F90-F107 HydrophobicContact CD2-CE1 4.32Å; F90-F107 HydrophobicContact CD2-CE2 4.11Å; F90-F107 HydrophobicContact CD2-CG 4.23Å; F90-F107 HydrophobicContact CD2-CZ 4.23Å; F90-F107 AromaticContact CE1-CD2 3.82Å; F90-F107 HydrophobicContact CE1-CD2 3.82Å; F90-F107 HydrophobicContact CE1-CE2 4.38Å; F90-F107 HydrophobicContact CE1-CG 4.33Å; F90-F107 HydrophobicContact CE2-CD2 4.01Å; F90-F107 AromaticContact CE2-CE2 3.81Å; F90-F107 HydrophobicContact CE2-CE2 3.81Å; F90-F107 HydrophobicContact CE2-CZ 4.22Å; F90-F107 HydrophobicContact CG-CB 4.17Å; F90-F107 HydrophobicContact CG-CD1 4.18Å; F90-F107 HydrophobicContact CG-CD2 4.05Å; F90-F107 AromaticContact CG-CG 3.88Å; F90-F107 HydrophobicContact CG-CG 3.88Å; F90-F107 AromaticContact CZ-CD2 3.84Å; F90-F107 HydrophobicContact CZ-CD2 3.84Å; F90-F107 AromaticContact CZ-CE2 3.93Å; F90-F107 HydrophobicContact CZ-CE2 3.93Å; V95-F107 HydrophobicContact CG1-CB 4.45Å; V95-F107 HydrophobicContact CG2-CB 4.12Å; V95-F107 HydrophobicContact CG2-CD1 4.21Å; F98-F107 AromaticContact CD1-CD1 3.89Å; F98-F107 HydrophobicContact CD1-CD1 3.89Å; F98-F107 HydrophobicContact CD1-CE1 4.22Å; F98-F107 AromaticContact CE1-CD1 3.55Å; F98-F107 HydrophobicContact CE1-CD1 3.55Å; F98-F107 AromaticContact CE1-CE1 3.71Å; F98-F107 HydrophobicContact CE1-CE1 3.71Å; F107-L114 HydrophobicContact CB-CB 4.24Å; F107-L114 PolarHBondContact O-N 2.81Å; F107-G115 PolarHBondContact N-O 2.79Å; F107-F117 HydrophobicContact CE2-CB 3.7Å; F107-F117 HydrophobicContact CZ-CB 3.89Å; F107-I161 HydrophobicContact CE1-CD1 3.66Å; F107-I161 HydrophobicContact CZ-CD1 4.11Å; F107-I167 HydrophobicContact CE1-CD1 4.42Å; F107-I167 HydrophobicContact CZ-CD1 3.99Å; F107-L186 HydrophobicContact CE2-CD1 3.92Å; F107-L186 HydrophobicContact CZ-CD1 4.35Å
108	M	97.3	Very high	95.3	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.4	-176.8	-57.2	-179.2	71.8	0	0	113.2	T96 I97 D99 T106 K112 I113	T96-M108 PolarHBondContact N-O 3.42Å; T96-M108 PolarHBondContact OG1-O 2.81Å; T96-M108 VanDerWaalsContact OG1-O 3.14Å; I97-M108 HydrophobicContact CB-CB 4.15Å; I97-M108 PolarHBondContact N-O 3.02Å; I97-M108 VanDerWaalsContact N-O 3.08Å; I97-M108 PolarHBondContact O-N 3.01Å; D99-M108 HydrophobicContact CB-SD 3.87Å; T106-M108 HydrophobicContact CG2-CG 4.07Å; M108-K112 CarbonylContact C-O 3.59Å; M108-K112 VanDerWaalsContact CA-O 3.24Å; M108-K112 WeakPolarHBondContact CA-O 3.44Å; M108-I113 HydrophobicContact CE-CG1 4.29Å; M108-I113 HydrophobicContact CG-CG1 4.42Å
109	N	95.3	Very high	95.1	Very high	54 Å²	54	39.4 Å²	39.4	29%	0.289	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	104.4	165.6	-171.5	-14.8	0	0	0	108.7	D94 T96 S111 K112 L114	D94-N109 VanDerWaalsContact O-CB 3.3Å; D94-N109 WeakPolarHBondContact O-CB 3.24Å; D94-N109 PolarHBondContact O-ND2 3.46Å; T96-N109 WeakPolarHBondContact OG1-CA 3.39Å; N109-S111 PolarHBondContact O-N 2.67Å; N109-K112 PolarHBondContact N-O 2.8Å; N109-K112 WeakPolarHBondContact O-CB 3.49Å; N109-K112 PolarHBondContact O-N 3.18Å; N109-L114 HydrophobicContact CB-CD1 4.1Å; N109-L114 HydrophobicContact CB-CD2 4.27Å; N109-L114 HydrophobicContact CB-CG 4.35Å
110	G	93.2	Very high	94.7	Very high	38 Å²	38	41.1 Å²	41.1	39%	0.392	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-118.6	-167.1	0	0	0	0	0	111.1	T96	T96-G110 PolarHBondContact OG1-N 2.03Å
111	S	92.7	Very high	94.2	Very high	118 Å²	118	41.2 Å²	41.2	83%	0.825	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.1	176.2	61.2	0	0	0	0	114.2	N109	N109-S111 PolarHBondContact O-N 2.67Å
112	K	92.7	Very high	93.8	Very high	100 Å²	100	44.4 Å²	44.4	44%	0.435	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.7	-176.8	-176.7	-179.5	177.6	-177.4	0	110.3	M108 N109 L114	M108-K112 CarbonylContact C-O 3.59Å; M108-K112 VanDerWaalsContact CA-O 3.24Å; M108-K112 WeakPolarHBondContact CA-O 3.44Å; N109-K112 PolarHBondContact N-O 2.8Å; N109-K112 WeakPolarHBondContact O-CB 3.49Å; N109-K112 PolarHBondContact O-N 3.18Å; K112-L114 HydrophobicContact CD-CD2 4.29Å; K112-L114 HydrophobicContact CG-CD2 4.44Å
113	I	94.7	Very high	93.6	Very high	106 Å²	106	40.4 Å²	40.4	54%	0.544	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.3	170.1	-62.4	171.9	0	0	0	108.4	T106 M108	T106-I113 HydrophobicContact CG2-CB 4.47Å; T106-I113 HydrophobicContact CG2-CD1 4.49Å; T106-I113 HydrophobicContact CG2-CG1 4.16Å; T106-I113 HydrophobicContact CG2-CG2 3.69Å; M108-I113 HydrophobicContact CE-CG1 4.29Å; M108-I113 HydrophobicContact CG-CG1 4.42Å
114	L	94.9	Very high	93.4	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-32.9	176.7	-56.4	172.6	0	0	0	111.2	F90 V95 F107 N109 K112 S189	F90-L114 HydrophobicContact CD1-CB 3.91Å; V95-L114 HydrophobicContact CG2-CD1 3.98Å; F107-L114 HydrophobicContact CB-CB 4.24Å; F107-L114 PolarHBondContact O-N 2.81Å; N109-L114 HydrophobicContact CB-CD1 4.1Å; N109-L114 HydrophobicContact CB-CD2 4.27Å; N109-L114 HydrophobicContact CB-CG 4.35Å; K112-L114 HydrophobicContact CD-CD2 4.29Å; K112-L114 HydrophobicContact CG-CD2 4.44Å; L114-S189 PolarHBondContact O-N 3.14Å
115	G	96.3	Very high	93.2	Very high	6 Å²	6	40.7 Å²	40.7	6%	0.062	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-171	178.6	0	0	0	0	0	113.1	T106 F107 S187	T106-G115 WeakPolarHBondContact CA-O 3.34Å; T106-G115 WeakPolarHBondContact CG2-O 3.37Å; F107-G115 PolarHBondContact N-O 2.79Å; G115-S187 CarbonylContact C-O 3.46Å; G115-S187 WeakPolarHBondContact CA-O 3.46Å
116	T	96.9	Very high	92.9	Very high	42 Å²	42	44.3 Å²	44.3	26%	0.258	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.8	-174.2	58.8	0	0	0	0	111.3	I105 T106 S187	I105-T116 CarbonylContact O-C 3.58Å; I105-T116 WeakPolarHBondContact O-CA 3.41Å; T106-T116 HydrophobicContact CG2-CG2 4.09Å; T116-S187 PolarHBondContact N-O 2.84Å; T116-S187 PolarHBondContact O-N 3.37Å
117	F	97	Very high	92.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.3	169.6	-179.4	-149	0	0	0	109.3	G104 I105 F107 H159 I167 S168 V169 L186 Y217	G104-F117 CarbonylContact C-O 3.54Å; G104-F117 WeakPolarHBondContact CA-O 3.01Å; I105-F117 PolarHBondContact N-O 3.17Å; I105-F117 PolarHBondContact O-N 3.03Å; F107-F117 HydrophobicContact CE2-CB 3.7Å; F107-F117 HydrophobicContact CZ-CB 3.89Å; F117-H159 HydrophobicContact CD1-CB 3.96Å; F117-H159 AromaticContact CD1-CD2 3.74Å; F117-H159 HydrophobicContact CE1-CB 3.68Å; F117-H159 AromaticContact CE1-CD2 3.51Å; F117-H159 AromaticContact CE1-CG 3.98Å; F117-H159 AromaticContact CE2-CD2 3.96Å; F117-H159 AromaticContact CZ-CD2 3.66Å; F117-I167 HydrophobicContact CD1-CG2 3.43Å; F117-I167 VanDerWaalsContact CD1-CG2 3.43Å; F117-I167 HydrophobicContact CE1-CG2 3.22Å; F117-I167 HydrophobicContact CE2-CG2 4.4Å; F117-I167 HydrophobicContact CG-CG2 4.08Å; F117-I167 HydrophobicContact CZ-CG2 3.74Å; F117-S168 WeakPolarHBondContact CE1-O 3.38Å; F117-S168 WeakPolarHBondContact CZ-O 3.4Å; F117-V169 HydrophobicContact CE2-CB 4.16Å; F117-V169 HydrophobicContact CE2-CG1 4.2Å; F117-V169 HydrophobicContact CZ-CB 3.61Å; F117-V169 HydrophobicContact CZ-CG1 4.01Å; F117-L186 HydrophobicContact CB-CD1 3.64Å; F117-L186 HydrophobicContact CD2-CB 4.32Å; F117-L186 HydrophobicContact CD2-CD1 4.01Å; F117-L186 HydrophobicContact CG-CD1 3.98Å; F117-Y217 AromaticContact CE2-CE2 3.89Å; F117-Y217 HydrophobicContact CE2-CE2 3.89Å; F117-Y217 HydrophobicContact CZ-CE2 4.2Å
118	F	94.5	Very high	92.7	Very high	52 Å²	52	49.7 Å²	49.7	23%	0.228	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.2	-173.4	72.7	-87	0	0	0	113	Y103 H120 S184 R185	Y103-F118 CarbonylContact O-C 3.44Å; Y103-F118 VanDerWaalsContact O-CA 3.26Å; Y103-F118 WeakPolarHBondContact O-CA 3.29Å; Y103-F118 WeakPolarHBondContact O-CB 3.41Å; F118-H120 HydrophobicContact CD2-CB 3.97Å; F118-H120 HydrophobicContact CE2-CB 4.17Å; F118-S184 WeakPolarHBondContact O-CA 3.37Å; F118-R185 HydrophobicContact CE1-CB 4Å; F118-R185 HydrophobicContact CZ-CB 4.06Å; F118-R185 PolarHBondContact N-O 2.94Å; F118-R185 PolarHBondContact O-N 2.95Å
119	S	92.7	Very high	92.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	115.7	171.1	-55.5	0	0	0	0	109.3	Y103 H159 Q183 S184	Y103-S119 PolarHBondContact O-N 2.03Å; S119-H159 PolarHBondContact OG-NE2 3.23Å; S119-Q183 CarbonylContact C-O 3.55Å; S119-Q183 VanDerWaalsContact CA-O 3.31Å; S119-Q183 WeakPolarHBondContact CA-O 3.32Å; S119-S184 WeakPolarHBondContact OG-CB 3.5Å; S119-S184 PolarHBondContact OG-OG 3.18Å
120	H	88.9	Confident	92.7	Very high	69 Å²	69	49 Å²	49	32%	0.319	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.8	-172	175.3	-90.6	0	0	0	112.1	Y103 F118 F182 Q183	Y103-H120 AromaticContact CD1-CD2 3.75Å; Y103-H120 AromaticContact CD2-CD2 3.49Å; Y103-H120 VanDerWaalsContact CD2-CD2 3.49Å; Y103-H120 WeakPolarHBondContact CD2-CD2 2.96Å; Y103-H120 AromaticContact CE1-CD2 3.68Å; Y103-H120 AromaticContact CE2-CD2 3.42Å; Y103-H120 VanDerWaalsContact CE2-CD2 3.42Å; Y103-H120 WeakPolarHBondContact CE2-CD2 3.16Å; Y103-H120 AromaticContact CE2-NE2 3.89Å; Y103-H120 HydrophobicContact CG-CB 4.26Å; Y103-H120 AromaticContact CG-CD2 3.64Å; Y103-H120 AromaticContact CZ-CD2 3.51Å; Y103-H120 AromaticContact CZ-NE2 3.85Å; F118-H120 HydrophobicContact CD2-CB 3.97Å; F118-H120 HydrophobicContact CE2-CB 4.17Å; H120-F182 WeakPolarHBondContact O-CA 3.46Å; H120-Q183 PolarHBondContact N-O 3.33Å; H120-Q183 PolarHBondContact O-N 3.38Å
121	S	86.7	Confident	92.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	27%	0.266	C	S	.	.			trans	-145	149.3	163.5	167.4	0	0	0	0	109.1	D123	S121-D123 PolarHBondContact O-N 3.43Å; S121-D123 PolarHBondContact OG-N 3.1Å; S121-D123 VanDerWaalsContact OG-N 3.14Å; S121-D123 PolarHBondContact OG-OD2 2.83Å
122	S	85.2	Confident	92.8	Very high	90 Å²	90	42.3 Å²	42.3	63%	0.629	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.1	172.9	46.6	0	0	0	0	113.5	I124	S122-I124 VanDerWaalsContact C-N 3.33Å
123	D	86.2	Confident	92.8	Very high	36 Å²	36	39.1 Å²	39.1	19%	0.193	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	0.5	-168	-43.5	-38.1	0	0	0	112.1	S121 I125 I146 S147 L180 P181	S121-D123 PolarHBondContact O-N 3.43Å; S121-D123 PolarHBondContact OG-N 3.1Å; S121-D123 VanDerWaalsContact OG-N 3.14Å; S121-D123 PolarHBondContact OG-OD2 2.83Å; D123-I125 PolarHBondContact O-N 2.9Å; D123-I146 HydrophobicContact CB-CG2 4.21Å; D123-I146 WeakPolarHBondContact O-CA 3.42Å; D123-S147 PolarHBondContact O-N 2.9Å; D123-L180 HydrophobicContact CB-CD2 4.21Å; D123-L180 WeakPolarHBondContact OD2-CD2 3.41Å; D123-P181 WeakPolarHBondContact OD2-CD 3.48Å
124	I	88.6	Confident	92.6	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	119.4	176.8	-65.9	177.5	0	0	0	109.2	Y103 S122 P127 L142 F144 F182	Y103-I124 HydrophobicContact CD1-CD1 4.22Å; Y103-I124 HydrophobicContact CE1-CD1 4.08Å; S122-I124 VanDerWaalsContact C-N 3.33Å; I124-P127 HydrophobicContact CG2-CB 4.14Å; I124-L142 HydrophobicContact CD1-CD2 4.34Å; I124-F144 HydrophobicContact CB-CD2 4.35Å; I124-F144 HydrophobicContact CG1-CD2 3.88Å; I124-F144 HydrophobicContact CG1-CE2 4.08Å; I124-F144 HydrophobicContact CG1-CG 4.33Å; I124-F144 HydrophobicContact CG2-CB 3.71Å; I124-F144 HydrophobicContact CG2-CD2 4.14Å; I124-F144 HydrophobicContact CG2-CG 3.97Å; I124-F182 HydrophobicContact CD1-CE1 3.86Å; I124-F182 HydrophobicContact CD1-CZ 4.15Å; I124-F182 HydrophobicContact CG1-CE1 4.18Å; I124-F182 HydrophobicContact CG1-CZ 3.94Å
125	I	90.8	Very high	92.4	Very high	68 Å²	68	40.5 Å²	40.5	35%	0.349	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	158.4	172.1	59.2	161.4	0	0	0	110.7	D123 P127 Q145	D123-I125 PolarHBondContact O-N 2.9Å; I125-P127 VanDerWaalsContact C-CD 3.49Å; I125-Q145 HydrophobicContact CD1-CB 4.12Å; I125-Q145 HydrophobicContact CG1-CB 3.81Å; I125-Q145 VanDerWaalsContact CG1-O 3.25Å; I125-Q145 WeakPolarHBondContact CG1-O 3.21Å; I125-Q145 PolarHBondContact N-O 2.78Å; I125-Q145 PolarHBondContact O-N 2.74Å
126	S	91.9	Very high	92.1	Very high	77 Å²	77	44 Å²	44	54%	0.538	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.8	46.6	178.6	-55	0	0	0	0	114.6
127	P	94.6	Very high	91.9	Very high	49 Å²	49	42.1 Å²	42.1	32%	0.318	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.5	-175.9	31.5	-36.5	0	0	0	111.4	I124 I125 Y129 L142 S143	I124-P127 HydrophobicContact CG2-CB 4.14Å; I125-P127 VanDerWaalsContact C-CD 3.49Å; P127-Y129 HydrophobicContact CB-CE1 3.96Å; P127-Y129 HydrophobicContact CB-CE2 4.25Å; P127-Y129 WeakPolarHBondContact CB-OH 3.28Å; P127-Y129 HydrophobicContact CG-CE2 4.29Å; P127-Y129 VanDerWaalsContact CG-OH 3.25Å; P127-Y129 WeakPolarHBondContact CG-OH 3.26Å; P127-L142 HydrophobicContact CB-CD1 3.88Å; P127-S143 CarbonylContact C-O 3.57Å; P127-S143 WeakPolarHBondContact CA-O 3.3Å
128	Q	96.5	Very high	91.7	Very high	94 Å²	94	42.1 Å²	42.1	44%	0.439	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.9	170.6	-61	-173.8	29.4	0	0	108.9	S143	Q128-S143 PolarHBondContact N-O 3.38Å; Q128-S143 PolarHBondContact O-N 2.99Å
129	Y	96.6	Very high	91.7	Very high	28 Å²	28	39.7 Å²	39.7	11%	0.11	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.4	-174	-46.7	-76.2	0	0	0	109.8	K75 F76 P78 K102 P127 L142	K75-Y129 WeakPolarHBondContact CA-O 3.24Å; F76-Y129 VanDerWaalsContact CE1-CB 3.43Å; F76-Y129 HydrophobicContact CZ-CG 4.44Å; F76-Y129 PolarHBondContact N-O 2.94Å; F76-Y129 VanDerWaalsContact N-O 3.07Å; P78-Y129 HydrophobicContact CG-CD1 3.94Å; P78-Y129 HydrophobicContact CG-CD2 3.52Å; P78-Y129 HydrophobicContact CG-CE1 4.15Å; P78-Y129 HydrophobicContact CG-CE2 3.7Å; P78-Y129 HydrophobicContact CG-CG 3.61Å; K102-Y129 HydrophobicContact CB-CE1 4.37Å; K102-Y129 WeakPolarHBondContact O-CE1 3.29Å; P127-Y129 HydrophobicContact CB-CE1 3.96Å; P127-Y129 HydrophobicContact CB-CE2 4.25Å; P127-Y129 WeakPolarHBondContact CB-OH 3.28Å; P127-Y129 HydrophobicContact CG-CE2 4.29Å; P127-Y129 VanDerWaalsContact CG-OH 3.25Å; P127-Y129 WeakPolarHBondContact CG-OH 3.26Å; Y129-L142 HydrophobicContact CD1-CD1 3.82Å; Y129-L142 HydrophobicContact CE1-CD1 3.57Å
130	E	95.4	Very high	91.8	Very high	27 Å²	27	39.6 Å²	39.6	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.3	-179.2	-67.6	174.2	109.8	0	0	109.9	F73 E74 K75 R141	F73-E130 HydrophobicContact CB-CB 4.13Å; F73-E130 HydrophobicContact CD1-CB 3.85Å; F73-E130 HydrophobicContact CG-CB 4.34Å; E74-E130 CarbonylContact O-C 3.6Å; E74-E130 VanDerWaalsContact O-CA 3.31Å; E74-E130 WeakPolarHBondContact O-CA 3.29Å; K75-E130 HydrophobicContact CG-CG 4.12Å; E130-R141 HydrophobicContact CB-CB 4.23Å; E130-R141 PolarHBondContact N-O 3.08Å; E130-R141 PolarHBondContact O-N 3.5Å; E130-R141 IonicContact OE1-CZ 2.73Å; E130-R141 IonicContact OE1-NH2 3.7Å; E130-R141 PolarHBondContact OE1-NH2 2.86Å; E130-R141 IonicContact OE2-CZ 3.82Å; E130-R141 IonicContact OE2-NE 3.57Å; E130-R141 PolarHBondContact OE2-NE 2.99Å; E130-R141 IonicContact OE2-NH2 3.53Å; E130-R141 PolarHBondContact OE2-NH2 3.36Å
131	I	94.9	Very high	92.1	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.072	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.2	-179.8	-167.8	128.2	0	0	0	111.8	F73 E74 F76 I82 I100 A139	F73-I131 WeakPolarHBondContact CA-O 3.42Å; E74-I131 PolarHBondContact N-O 3.3Å; E74-I131 PolarHBondContact O-N 3.19Å; F76-I131 HydrophobicContact CD1-CB 3.92Å; F76-I131 HydrophobicContact CD1-CG2 3.78Å; F76-I131 HydrophobicContact CE1-CB 3.93Å; F76-I131 HydrophobicContact CE1-CG2 4.31Å; F76-I131 HydrophobicContact CG-CG2 4.4Å; I82-I131 HydrophobicContact CD1-CD1 3.22Å; I82-I131 HydrophobicContact CD1-CG1 3.76Å; I100-I131 HydrophobicContact CB-CD1 4.44Å; I100-I131 HydrophobicContact CD1-CD1 3.96Å; I100-I131 HydrophobicContact CG1-CD1 3.67Å; I100-I131 HydrophobicContact CG2-CD1 4.22Å; I131-A139 CarbonylContact C-O 3.49Å; I131-A139 WeakPolarHBondContact CA-O 3.17Å
132	S	93.4	Very high	92.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.3	164.8	-179.5	0	0	0	0	107.5	K72 E134 L138 A139	K72-S132 VanDerWaalsContact O-CB 3.25Å; K72-S132 WeakPolarHBondContact O-CB 3.4Å; K72-S132 PolarHBondContact O-OG 2.87Å; S132-E134 WeakPolarHBondContact OG-CG 3.38Å; S132-E134 PolarHBondContact OG-OE1 2.87Å; S132-L138 WeakPolarHBondContact O-CA 3.31Å; S132-A139 PolarHBondContact N-O 3.15Å; S132-A139 PolarHBondContact O-N 2.89Å
133	N	92.1	Very high	92.9	Very high	34 Å²	34	35 Å²	35	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	89.9	179.8	177.5	37.4	0	0	0	107.6	I82 K85 L138	I82-N133 HydrophobicContact CG2-CB 4.37Å; I82-N133 VanDerWaalsContact CG2-ND2 3.26Å; I82-N133 WeakPolarHBondContact CG2-ND2 3.31Å; K85-N133 WeakPolarHBondContact CD-O 3.31Å; K85-N133 WeakPolarHBondContact CE-O 3.06Å; K85-N133 PolarHBondContact NZ-O 2.88Å; N133-L138 HydrophobicContact CB-CD1 4.33Å
134	E	91	Very high	93.3	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.201	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	173	-177.8	-50.6	-54.8	157.4	0	0	110.6	S132 N136 L137	S132-E134 WeakPolarHBondContact OG-CG 3.38Å; S132-E134 PolarHBondContact OG-OE1 2.87Å; E134-N136 PolarHBondContact O-N 3.23Å; E134-L137 HydrophobicContact CB-CG 4.2Å; E134-L137 HydrophobicContact CG-CD1 4.32Å; E134-L137 HydrophobicContact CG-CG 4.38Å; E134-L137 PolarHBondContact N-O 3.14Å; E134-L137 VanDerWaalsContact O-O 3.1Å
135	E	90.3	Very high	93.4	Very high	98 Å²	98	35 Å²	35	46%	0.458	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.7	179.6	-67.8	179.9	-174	0	0	112.9	F86 I269	F86-E135 WeakPolarHBondContact CB-O 3.5Å; F86-E135 WeakPolarHBondContact CD1-O 3.44Å; E135-I269 HydrophobicContact CB-CD1 3.84Å; E135-I269 HydrophobicContact CB-CG1 3.99Å; E135-I269 HydrophobicContact CG-CD1 3.64Å; E135-I269 HydrophobicContact CG-CG1 4.29Å; E135-I269 WeakPolarHBondContact OE2-CD1 3.37Å; E135-I269 VanDerWaalsContact OE2-CG1 3.28Å; E135-I269 WeakPolarHBondContact OE2-CG1 3.47Å
136	N	89.7	Confident	93.2	Very high	81 Å²	81	32 Å²	32	43%	0.433	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	4.7	-174.4	-65.4	-40.4	0	0	0	114.1	E134 P163	E134-N136 PolarHBondContact O-N 3.23Å; N136-P163 WeakPolarHBondContact O-CD 3.48Å
137	L	92.4	Very high	92.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	154.4	176.5	65.2	93.8	0	0	0	112.3	E134 A139 L160 I161 L162 V264	E134-L137 HydrophobicContact CB-CG 4.2Å; E134-L137 HydrophobicContact CG-CD1 4.32Å; E134-L137 HydrophobicContact CG-CG 4.38Å; E134-L137 PolarHBondContact N-O 3.14Å; E134-L137 VanDerWaalsContact O-O 3.1Å; L137-A139 HydrophobicContact CD1-CB 4.07Å; L137-L160 HydrophobicContact CB-CD1 4.04Å; L137-L160 HydrophobicContact CD1-CD1 4.32Å; L137-I161 WeakPolarHBondContact CA-O 3.22Å; L137-L162 HydrophobicContact CB-CD2 3.74Å; L137-V264 HydrophobicContact CD2-CG1 4.17Å
138	L	94.3	Very high	92	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.2	159.8	-179.5	135.2	0	0	0	109.5	I82 F86 F98 I100 I105 S132 N133 L160 I161	I82-L138 HydrophobicContact CD1-CD1 4.28Å; I82-L138 HydrophobicContact CG2-CD1 3.95Å; F86-L138 HydrophobicContact CE1-CB 4.2Å; F86-L138 HydrophobicContact CZ-CB 4.1Å; F98-L138 HydrophobicContact CD2-CD1 3.59Å; F98-L138 HydrophobicContact CD2-CD2 4.39Å; F98-L138 HydrophobicContact CD2-CG 4.46Å; F98-L138 HydrophobicContact CE2-CB 4.4Å; F98-L138 HydrophobicContact CE2-CD1 4.04Å; F98-L138 HydrophobicContact CG-CD1 4.32Å; I100-L138 HydrophobicContact CD1-CD2 4.28Å; I105-L138 HydrophobicContact CD1-CD2 3.71Å; S132-L138 WeakPolarHBondContact O-CA 3.31Å; N133-L138 HydrophobicContact CB-CD1 4.33Å; L138-L160 CarbonylContact O-C 3.45Å; L138-L160 WeakPolarHBondContact O-CA 3.46Å; L138-I161 HydrophobicContact CB-CB 4.5Å; L138-I161 HydrophobicContact CD2-CD1 4.01Å; L138-I161 PolarHBondContact N-O 2.78Å; L138-I161 PolarHBondContact O-N 3.43Å
139	A	94.4	Very high	91.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.8	178	0	0	0	0	0	111.4	I68 F73 I131 S132 L137 H159 L160	I68-A139 HydrophobicContact CD1-CB 3.42Å; I68-A139 VanDerWaalsContact CD1-CB 3.42Å; F73-A139 HydrophobicContact CE1-CB 3.95Å; F73-A139 HydrophobicContact CZ-CB 3.94Å; I131-A139 CarbonylContact C-O 3.49Å; I131-A139 WeakPolarHBondContact CA-O 3.17Å; S132-A139 PolarHBondContact N-O 3.15Å; S132-A139 PolarHBondContact O-N 2.89Å; L137-A139 HydrophobicContact CD1-CB 4.07Å; A139-H159 CarbonylContact C-O 3.57Å; A139-H159 VanDerWaalsContact CA-O 3.29Å; A139-H159 WeakPolarHBondContact CA-O 3.29Å; A139-L160 HydrophobicContact CB-CD1 4.13Å
140	H	94.5	Very high	90.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.6	171.6	168	-127	0	0	0	109.1	F76 I100 I105 T158 H159	F76-H140 AromaticContact CE1-CD2 3.89Å; F76-H140 AromaticContact CZ-CD2 3.8Å; F76-H140 AromaticContact CZ-NE2 3.91Å; I100-H140 HydrophobicContact CG2-CB 4.36Å; I105-H140 HydrophobicContact CD1-CB 4.01Å; I105-H140 HydrophobicContact CG1-CB 4.24Å; H140-T158 WeakPolarHBondContact O-CA 3.41Å; H140-H159 HydrophobicContact CB-CB 4.45Å; H140-H159 PolarHBondContact N-O 3.49Å; H140-H159 AromaticContact ND1-ND1 3.52Å; H140-H159 PolarHBondContact O-N 2.94Å
141	R	94.5	Very high	90	Very high	53 Å²	53	39.1 Å²	39.1	20%	0.2	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.8	179.6	-176.1	168.9	73.3	-159.6	0.2	110.4	F73 E130 I157	F73-R141 HydrophobicContact CD1-CB 4.29Å; F73-R141 HydrophobicContact CE1-CB 3.84Å; F73-R141 HydrophobicContact CZ-CB 4.42Å; E130-R141 HydrophobicContact CB-CB 4.23Å; E130-R141 PolarHBondContact N-O 3.08Å; E130-R141 PolarHBondContact O-N 3.5Å; E130-R141 IonicContact OE1-CZ 2.73Å; E130-R141 IonicContact OE1-NH2 3.7Å; E130-R141 PolarHBondContact OE1-NH2 2.86Å; E130-R141 IonicContact OE2-CZ 3.82Å; E130-R141 IonicContact OE2-NE 3.57Å; E130-R141 PolarHBondContact OE2-NE 2.99Å; E130-R141 IonicContact OE2-NH2 3.53Å; E130-R141 PolarHBondContact OE2-NH2 3.36Å; R141-I157 WeakPolarHBondContact CA-O 3.5Å
142	L	94.6	Very high	89.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.5	173.1	170.3	54.5	0	0	0	108.3	Y103 I124 P127 Y129 F144 K156 I157	Y103-L142 HydrophobicContact CD1-CD2 4.37Å; I124-L142 HydrophobicContact CD1-CD2 4.34Å; P127-L142 HydrophobicContact CB-CD1 3.88Å; Y129-L142 HydrophobicContact CD1-CD1 3.82Å; Y129-L142 HydrophobicContact CE1-CD1 3.57Å; L142-F144 HydrophobicContact CD1-CD1 4.36Å; L142-F144 HydrophobicContact CD2-CD1 4.36Å; L142-F144 HydrophobicContact CG-CD1 3.82Å; L142-F144 HydrophobicContact CG-CE1 4.35Å; L142-K156 CarbonylContact O-C 3.58Å; L142-K156 VanDerWaalsContact O-CA 3.29Å; L142-K156 WeakPolarHBondContact O-CA 3.49Å; L142-I157 PolarHBondContact N-O 3.35Å; L142-I157 PolarHBondContact O-N 2.85Å
143	S	94.4	Very high	89.3	Confident	10 Å²	10	48 Å²	48	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.5	171.5	-59.3	0	0	0	0	109.6	P127 Q128 F155	P127-S143 CarbonylContact C-O 3.57Å; P127-S143 WeakPolarHBondContact CA-O 3.3Å; Q128-S143 PolarHBondContact N-O 3.38Å; Q128-S143 PolarHBondContact O-N 2.99Å; S143-F155 CarbonylContact C-O 3.54Å; S143-F155 VanDerWaalsContact CA-O 3.3Å; S143-F155 WeakPolarHBondContact CA-O 3.42Å
144	F	93.5	Very high	89.3	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	169.4	-174.9	60.7	-81.4	0	0	0	112.5	I124 L142 I146 T154 F155 I157 M174 F182	I124-F144 HydrophobicContact CB-CD2 4.35Å; I124-F144 HydrophobicContact CG1-CD2 3.88Å; I124-F144 HydrophobicContact CG1-CE2 4.08Å; I124-F144 HydrophobicContact CG1-CG 4.33Å; I124-F144 HydrophobicContact CG2-CB 3.71Å; I124-F144 HydrophobicContact CG2-CD2 4.14Å; I124-F144 HydrophobicContact CG2-CG 3.97Å; L142-F144 HydrophobicContact CD1-CD1 4.36Å; L142-F144 HydrophobicContact CD2-CD1 4.36Å; L142-F144 HydrophobicContact CG-CD1 3.82Å; L142-F144 HydrophobicContact CG-CE1 4.35Å; F144-I146 HydrophobicContact CD2-CG1 4.15Å; F144-I146 HydrophobicContact CE2-CD1 3.93Å; F144-I146 HydrophobicContact CE2-CG1 3.84Å; F144-T154 CarbonylContact O-C 3.56Å; F144-T154 WeakPolarHBondContact O-CA 3.09Å; F144-F155 HydrophobicContact CD1-CB 4.35Å; F144-F155 HydrophobicContact CD2-CB 4.15Å; F144-F155 HydrophobicContact CE1-CB 3.94Å; F144-F155 HydrophobicContact CE2-CB 3.66Å; F144-F155 HydrophobicContact CE2-CD2 4.29Å; F144-F155 HydrophobicContact CE2-CG 4.16Å; F144-F155 HydrophobicContact CG-CB 4.48Å; F144-F155 HydrophobicContact CZ-CB 3.56Å; F144-F155 HydrophobicContact CZ-CG 4.42Å; F144-F155 PolarHBondContact N-O 3.41Å; F144-F155 PolarHBondContact O-N 3.3Å; F144-I157 HydrophobicContact CE1-CD1 3.79Å; F144-I157 HydrophobicContact CE1-CG1 3.89Å; F144-I157 HydrophobicContact CZ-CD1 3.98Å; F144-I157 HydrophobicContact CZ-CG1 4.33Å; F144-M174 HydrophobicContact CZ-CE 4.16Å; F144-M174 HydrophobicContact CZ-SD 3.96Å; F144-F182 HydrophobicContact CD2-CZ 4.5Å; F144-F182 HydrophobicContact CE1-CZ 4.49Å; F144-F182 HydrophobicContact CE2-CE1 4.22Å; F144-F182 HydrophobicContact CE2-CE2 4.22Å; F144-F182 AromaticContact CE2-CZ 3.41Å; F144-F182 HydrophobicContact CE2-CZ 3.41Å; F144-F182 VanDerWaalsContact CE2-CZ 3.41Å; F144-F182 AromaticContact CZ-CE1 3.8Å; F144-F182 HydrophobicContact CZ-CE1 3.8Å; F144-F182 HydrophobicContact CZ-CE2 4.32Å; F144-F182 AromaticContact CZ-CZ 3.38Å; F144-F182 HydrophobicContact CZ-CZ 3.38Å
145	Q	91.1	Very high	89.3	Confident	54 Å²	54	47.7 Å²	47.7	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	162.8	167.4	-71.1	176.9	-25	0	0	109.2	I125 K152 R153	I125-Q145 HydrophobicContact CD1-CB 4.12Å; I125-Q145 HydrophobicContact CG1-CB 3.81Å; I125-Q145 VanDerWaalsContact CG1-O 3.25Å; I125-Q145 WeakPolarHBondContact CG1-O 3.21Å; I125-Q145 PolarHBondContact N-O 2.78Å; I125-Q145 PolarHBondContact O-N 2.74Å; Q145-K152 PolarHBondContact NE2-O 3.46Å; Q145-R153 WeakPolarHBondContact CG-O 3.36Å
146	I	87	Confident	89.5	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	139.3	174.5	-71.7	150.9	0	0	0	108.3	D123 F144 D148 D149 F155 L180 F182	D123-I146 HydrophobicContact CB-CG2 4.21Å; D123-I146 WeakPolarHBondContact O-CA 3.42Å; F144-I146 HydrophobicContact CD2-CG1 4.15Å; F144-I146 HydrophobicContact CE2-CD1 3.93Å; F144-I146 HydrophobicContact CE2-CG1 3.84Å; I146-D148 PolarHBondContact O-N 3.18Å; I146-D149 HydrophobicContact CB-CB 4.42Å; I146-D149 PolarHBondContact O-N 2.84Å; I146-F155 HydrophobicContact CB-CE2 4.16Å; I146-F155 HydrophobicContact CD1-CD1 4.19Å; I146-F155 HydrophobicContact CD1-CD2 3.54Å; I146-F155 HydrophobicContact CD1-CE1 4.1Å; I146-F155 HydrophobicContact CD1-CE2 3.44Å; I146-F155 VanDerWaalsContact CD1-CE2 3.44Å; I146-F155 HydrophobicContact CD1-CG 3.92Å; I146-F155 HydrophobicContact CD1-CZ 3.72Å; I146-F155 HydrophobicContact CG1-CD2 4.06Å; I146-F155 HydrophobicContact CG1-CE2 4.04Å; I146-L180 HydrophobicContact CB-CD1 4.47Å; I146-L180 HydrophobicContact CD1-CD1 3.12Å; I146-L180 HydrophobicContact CG1-CD1 3.85Å; I146-L180 HydrophobicContact CG2-CD1 3.95Å; I146-L180 HydrophobicContact CG2-CD2 3.81Å; I146-F182 HydrophobicContact CD1-CE2 4.29Å
147	S	82.9	Confident	89.7	Confident	63 Å²	63	42.4 Å²	42.4	44%	0.441	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.6	-175.1	58.8	0	0	0	0	113.8	D123	D123-S147 PolarHBondContact O-N 2.9Å
148	D	78.6	Confident	89.8	Confident	122 Å²	122	42.7 Å²	42.7	65%	0.652	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	3.4	-170.2	-63.1	2.6	0	0	0	112.8	I146 S150	I146-D148 PolarHBondContact O-N 3.18Å; D148-S150 PolarHBondContact O-N 3.24Å
149	D	81.2	Confident	89.9	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.037	23%	0.225	C	C	.	.			trans	-82.1	102	176	-176.3	32.9	0	0	0	110.8	I146 L151 K152 R153 F155 F178	I146-D149 HydrophobicContact CB-CB 4.42Å; I146-D149 PolarHBondContact O-N 2.84Å; D149-L151 PolarHBondContact O-N 3.27Å; D149-L151 VanDerWaalsContact O-N 3.13Å; D149-L151 PolarHBondContact OD1-N 2.94Å; D149-K152 PolarHBondContact O-N 2.69Å; D149-K152 PolarHBondContact OD2-N 2.89Å; D149-R153 IonicContact OD1-CZ 3.55Å; D149-R153 IonicContact OD1-NE 3.3Å; D149-R153 PolarHBondContact OD1-NE 3.19Å; D149-R153 IonicContact OD1-NH2 2.9Å; D149-R153 PolarHBondContact OD1-NH2 3.24Å; D149-R153 WeakPolarHBondContact OD2-CA 3.49Å; D149-R153 WeakPolarHBondContact OD2-CB 3.29Å; D149-R153 PolarHBondContact OD2-N 3.38Å; D149-R153 IonicContact OD2-NE 3.15Å; D149-R153 PolarHBondContact OD2-NE 3.2Å; D149-R153 VanDerWaalsContact OD2-NE 3.15Å; D149-F155 HydrophobicContact CB-CE2 4.38Å; D149-F178 HydrophobicContact CB-CE1 4.35Å; D149-F178 HydrophobicContact CB-CE2 4.33Å; D149-F178 HydrophobicContact CB-CZ 3.87Å; D149-F178 WeakPolarHBondContact OD1-CZ 3.31Å
150	S	80.9	Confident	89.9	Confident	112 Å²	112	42.9 Å²	42.9	78%	0.783	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27	176.8	62	0	0	0	0	113.3	D148 K152	D148-S150 PolarHBondContact O-N 3.24Å; S150-K152 VanDerWaalsContact C-N 3.31Å
151	L	84.9	Confident	90	Very high	120 Å²	120	42.9 Å²	42.9	63%	0.628	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.4	178.5	-61.2	179.6	0	0	0	113.4	D149 R153	D149-L151 PolarHBondContact O-N 3.27Å; D149-L151 VanDerWaalsContact O-N 3.13Å; D149-L151 PolarHBondContact OD1-N 2.94Å; L151-R153 HydrophobicContact CB-CG 3.87Å; L151-R153 PolarHBondContact O-N 2.82Å; L151-R153 VanDerWaalsContact O-N 3.11Å
152	K	84.3	Confident	89.9	Confident	151 Å²	151	41.6 Å²	41.6	66%	0.657	22%	0.223	S	C	*	.			trans	49.1	35.5	-177.6	-60.3	-175.9	177.6	-179	0	113.1	Q145 D149 S150	Q145-K152 PolarHBondContact NE2-O 3.46Å; D149-K152 PolarHBondContact O-N 2.69Å; D149-K152 PolarHBondContact OD2-N 2.89Å; S150-K152 VanDerWaalsContact C-N 3.31Å
153	R	89.2	Confident	89.8	Confident	52 Å²	52	44 Å²	44	20%	0.196	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-63.5	148.2	-180	-69	171.7	-76.6	-172.1	-14.6	109.9	Q145 D149 L151 F155 T175	Q145-R153 WeakPolarHBondContact CG-O 3.36Å; D149-R153 IonicContact OD1-CZ 3.55Å; D149-R153 IonicContact OD1-NE 3.3Å; D149-R153 PolarHBondContact OD1-NE 3.19Å; D149-R153 IonicContact OD1-NH2 2.9Å; D149-R153 PolarHBondContact OD1-NH2 3.24Å; D149-R153 WeakPolarHBondContact OD2-CA 3.49Å; D149-R153 WeakPolarHBondContact OD2-CB 3.29Å; D149-R153 PolarHBondContact OD2-N 3.38Å; D149-R153 IonicContact OD2-NE 3.15Å; D149-R153 PolarHBondContact OD2-NE 3.2Å; D149-R153 VanDerWaalsContact OD2-NE 3.15Å; L151-R153 HydrophobicContact CB-CG 3.87Å; L151-R153 PolarHBondContact O-N 2.82Å; L151-R153 VanDerWaalsContact O-N 3.11Å; R153-F155 HydrophobicContact CB-CE2 4.08Å; R153-F155 HydrophobicContact CB-CZ 4.07Å; R153-F155 WeakPolarHBondContact O-CD2 3.06Å; R153-F155 WeakPolarHBondContact O-CE2 3.28Å; R153-T175 VanDerWaalsContact NH1-CG2 3.34Å
154	T	91.7	Very high	89.5	Confident	68 Å²	68	49.1 Å²	49.1	42%	0.417	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-93.1	121.3	170.5	-57.2	0	0	0	0	108.9	F144 N173	F144-T154 CarbonylContact O-C 3.56Å; F144-T154 WeakPolarHBondContact O-CA 3.09Å; T154-N173 PolarHBondContact O-ND2 3.37Å
155	F	91.8	Very high	89.4	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150.5	174.8	-58.2	-87.1	0	0	0	109.1	S143 F144 I146 D149 R153 N173 M174 F178	S143-F155 CarbonylContact C-O 3.54Å; S143-F155 VanDerWaalsContact CA-O 3.3Å; S143-F155 WeakPolarHBondContact CA-O 3.42Å; F144-F155 HydrophobicContact CD1-CB 4.35Å; F144-F155 HydrophobicContact CD2-CB 4.15Å; F144-F155 HydrophobicContact CE1-CB 3.94Å; F144-F155 HydrophobicContact CE2-CB 3.66Å; F144-F155 HydrophobicContact CE2-CD2 4.29Å; F144-F155 HydrophobicContact CE2-CG 4.16Å; F144-F155 HydrophobicContact CG-CB 4.48Å; F144-F155 HydrophobicContact CZ-CB 3.56Å; F144-F155 HydrophobicContact CZ-CG 4.42Å; F144-F155 PolarHBondContact N-O 3.41Å; F144-F155 PolarHBondContact O-N 3.3Å; I146-F155 HydrophobicContact CB-CE2 4.16Å; I146-F155 HydrophobicContact CD1-CD1 4.19Å; I146-F155 HydrophobicContact CD1-CD2 3.54Å; I146-F155 HydrophobicContact CD1-CE1 4.1Å; I146-F155 HydrophobicContact CD1-CE2 3.44Å; I146-F155 VanDerWaalsContact CD1-CE2 3.44Å; I146-F155 HydrophobicContact CD1-CG 3.92Å; I146-F155 HydrophobicContact CD1-CZ 3.72Å; I146-F155 HydrophobicContact CG1-CD2 4.06Å; I146-F155 HydrophobicContact CG1-CE2 4.04Å; D149-F155 HydrophobicContact CB-CE2 4.38Å; R153-F155 HydrophobicContact CB-CE2 4.08Å; R153-F155 HydrophobicContact CB-CZ 4.07Å; R153-F155 WeakPolarHBondContact O-CD2 3.06Å; R153-F155 WeakPolarHBondContact O-CE2 3.28Å; F155-N173 WeakPolarHBondContact CD1-O 3.43Å; F155-N173 WeakPolarHBondContact CE1-O 3.37Å; F155-M174 HydrophobicContact CB-SD 3.89Å; F155-M174 HydrophobicContact CD1-CG 4.49Å; F155-M174 HydrophobicContact CD1-SD 3.79Å; F155-M174 HydrophobicContact CG-SD 4.15Å; F155-F178 HydrophobicContact CZ-CE2 4.15Å
156	K	93	Very high	89.5	Confident	69 Å²	69	48.4 Å²	48.4	30%	0.3	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137	175.1	-45.8	177.1	-177.5	165.3	0	111.5	L142 D172	L142-K156 CarbonylContact O-C 3.58Å; L142-K156 VanDerWaalsContact O-CA 3.29Å; L142-K156 WeakPolarHBondContact O-CA 3.49Å; K156-D172 HydrophobicContact CB-CB 4.08Å; K156-D172 PolarHBondContact N-O 3.1Å; K156-D172 VanDerWaalsContact N-O 3.09Å; K156-D172 PolarHBondContact O-N 3.21Å
157	I	94.2	Very high	89.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.4	170	-61.6	170.5	0	0	0	107.3	R141 L142 F144 V169 Y170 Y171 M174 F182	R141-I157 WeakPolarHBondContact CA-O 3.5Å; L142-I157 PolarHBondContact N-O 3.35Å; L142-I157 PolarHBondContact O-N 2.85Å; F144-I157 HydrophobicContact CE1-CD1 3.79Å; F144-I157 HydrophobicContact CE1-CG1 3.89Å; F144-I157 HydrophobicContact CZ-CD1 3.98Å; F144-I157 HydrophobicContact CZ-CG1 4.33Å; I157-V169 HydrophobicContact CG2-CG2 3.6Å; I157-Y170 WeakPolarHBondContact CA-O 3.49Å; I157-Y171 HydrophobicContact CD1-CD1 4.46Å; I157-Y171 HydrophobicContact CD1-CE1 4.44Å; I157-Y171 HydrophobicContact CG1-CD1 4.03Å; I157-Y171 HydrophobicContact CG1-CE1 4.37Å; I157-Y171 HydrophobicContact CG2-CD1 4.49Å; I157-Y171 HydrophobicContact CG2-CE1 4.35Å; I157-M174 HydrophobicContact CD1-CE 3.83Å; I157-M174 HydrophobicContact CG1-CE 4.07Å; I157-F182 HydrophobicContact CD1-CD1 4.04Å; I157-F182 HydrophobicContact CD1-CE1 3.73Å
158	T	94.8	Very high	90.6	Very high	8 Å²	8	45.4 Å²	45.4	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.5	-178.5	-55.9	0	0	0	0	109.6	I68 H140 V169 Y170	I68-T158 HydrophobicContact CD1-CG2 3.36Å; I68-T158 HydrophobicContact CG1-CG2 4.28Å; H140-T158 WeakPolarHBondContact O-CA 3.41Å; T158-V169 CarbonylContact O-C 3.6Å; T158-V169 VanDerWaalsContact O-CA 3.3Å; T158-V169 WeakPolarHBondContact O-CA 3.47Å; T158-Y170 PolarHBondContact N-O 3.35Å; T158-Y170 PolarHBondContact O-N 3.29Å
159	H	95.7	Very high	91.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130	170.3	-53	92.4	0	0	0	108	I105 F117 S119 A139 H140 S168	I105-H159 HydrophobicContact CD1-CB 4.12Å; F117-H159 HydrophobicContact CD1-CB 3.96Å; F117-H159 AromaticContact CD1-CD2 3.74Å; F117-H159 HydrophobicContact CE1-CB 3.68Å; F117-H159 AromaticContact CE1-CD2 3.51Å; F117-H159 AromaticContact CE1-CG 3.98Å; F117-H159 AromaticContact CE2-CD2 3.96Å; F117-H159 AromaticContact CZ-CD2 3.66Å; S119-H159 PolarHBondContact OG-NE2 3.23Å; A139-H159 CarbonylContact C-O 3.57Å; A139-H159 VanDerWaalsContact CA-O 3.29Å; A139-H159 WeakPolarHBondContact CA-O 3.29Å; H140-H159 HydrophobicContact CB-CB 4.45Å; H140-H159 PolarHBondContact N-O 3.49Å; H140-H159 AromaticContact ND1-ND1 3.52Å; H140-H159 PolarHBondContact O-N 2.94Å; H159-S168 CarbonylContact C-O 3.57Å; H159-S168 WeakPolarHBondContact CA-O 3.24Å
160	L	95.2	Very high	92.1	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137	-178.5	178.3	65.4	0	0	0	109.4	P67 I68 L137 L138 A139 L162 I167 S168	P67-L160 HydrophobicContact CB-CD2 4.32Å; P67-L160 HydrophobicContact CG-CD2 4.39Å; I68-L160 HydrophobicContact CD1-CD1 3.97Å; I68-L160 HydrophobicContact CG1-CD1 4.33Å; I68-L160 HydrophobicContact CG1-CD2 4.31Å; L137-L160 HydrophobicContact CB-CD1 4.04Å; L137-L160 HydrophobicContact CD1-CD1 4.32Å; L138-L160 CarbonylContact O-C 3.45Å; L138-L160 WeakPolarHBondContact O-CA 3.46Å; A139-L160 HydrophobicContact CB-CD1 4.13Å; L160-L162 HydrophobicContact CD1-CD2 4.18Å; L160-L162 HydrophobicContact CD2-CD2 4.4Å; L160-L162 HydrophobicContact CG-CD2 4.24Å; L160-L162 HydrophobicContact CG-CG 4.4Å; L160-I167 CarbonylContact O-C 3.38Å; L160-I167 WeakPolarHBondContact O-CA 3.26Å; L160-S168 PolarHBondContact N-O 3.46Å; L160-S168 PolarHBondContact O-N 2.91Å
161	I	95.9	Very high	92.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.6	176.8	-61.8	167	0	0	0	108	F86 F88 F98 I105 F107 L137 L138 I167	F86-I161 HydrophobicContact CE2-CG2 4.33Å; F86-I161 HydrophobicContact CZ-CG2 4.3Å; F88-I161 HydrophobicContact CD1-CG2 4.37Å; F88-I161 HydrophobicContact CD2-CG2 3.7Å; F88-I161 HydrophobicContact CE1-CG2 4.09Å; F88-I161 HydrophobicContact CE2-CG2 3.33Å; F88-I161 HydrophobicContact CG-CG2 4.2Å; F88-I161 HydrophobicContact CZ-CG2 3.57Å; F98-I161 HydrophobicContact CD1-CD1 4.15Å; F98-I161 HydrophobicContact CE1-CD1 3.68Å; F98-I161 HydrophobicContact CE1-CG2 4.45Å; F98-I161 HydrophobicContact CZ-CD1 4.04Å; F98-I161 HydrophobicContact CZ-CG2 3.96Å; I105-I161 HydrophobicContact CD1-CD1 3.58Å; I105-I161 HydrophobicContact CD1-CG1 4.42Å; I105-I161 HydrophobicContact CG2-CD1 4.17Å; F107-I161 HydrophobicContact CE1-CD1 3.66Å; F107-I161 HydrophobicContact CZ-CD1 4.11Å; L137-I161 WeakPolarHBondContact CA-O 3.22Å; L138-I161 HydrophobicContact CB-CB 4.5Å; L138-I161 HydrophobicContact CD2-CD1 4.01Å; L138-I161 PolarHBondContact N-O 2.78Å; L138-I161 PolarHBondContact O-N 3.43Å; I161-I167 HydrophobicContact CG1-CG2 4.44Å
162	L	93.9	Very high	93.1	Very high	25 Å²	25	31.5 Å²	31.5	13%	0.131	16%	0.158	C	C	.	.			trans	-117.5	153	-179	-60.3	178.1	0	0	0	111.6	F88 L137 L160 N164 G165 K166	F88-L162 VanDerWaalsContact CD2-O 3.29Å; F88-L162 WeakPolarHBondContact CD2-O 3.3Å; F88-L162 WeakPolarHBondContact CE2-O 3.48Å; L137-L162 HydrophobicContact CB-CD2 3.74Å; L160-L162 HydrophobicContact CD1-CD2 4.18Å; L160-L162 HydrophobicContact CD2-CD2 4.4Å; L160-L162 HydrophobicContact CG-CD2 4.24Å; L160-L162 HydrophobicContact CG-CG 4.4Å; L162-N164 WeakPolarHBondContact CB-OD1 3.32Å; L162-N164 PolarHBondContact O-N 3.44Å; L162-N164 VanDerWaalsContact O-N 3.14Å; L162-G165 PolarHBondContact O-N 2.94Å; L162-G165 VanDerWaalsContact O-N 3.1Å; L162-K166 HydrophobicContact CB-CB 4.31Å; L162-K166 HydrophobicContact CD1-CB 4.31Å; L162-K166 HydrophobicContact CD1-CD 4.28Å; L162-K166 HydrophobicContact CD1-CG 4.46Å; L162-K166 PolarHBondContact N-O 3.3Å
163	P	92	Very high	93.3	Very high	50 Å²	50	27.4 Å²	27.4	33%	0.325	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.3	-178.7	-24.6	30.4	0	0	0	115	F86 N136 G165	F86-P163 HydrophobicContact CB-CB 4.17Å; F86-P163 HydrophobicContact CB-CG 3.94Å; F86-P163 HydrophobicContact CD1-CG 4.27Å; F86-P163 HydrophobicContact CD2-CB 3.87Å; F86-P163 HydrophobicContact CD2-CG 3.77Å; F86-P163 HydrophobicContact CE2-CG 4.31Å; F86-P163 HydrophobicContact CG-CB 4.17Å; F86-P163 HydrophobicContact CG-CG 3.74Å; N136-P163 WeakPolarHBondContact O-CD 3.48Å; P163-G165 PolarHBondContact O-N 2.91Å; P163-G165 VanDerWaalsContact O-N 3.14Å
164	N	88.6	Confident	93	Very high	118 Å²	118	25.3 Å²	25.3	63%	0.631	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	5.5	179.2	68.6	-9.1	0	0	0	114.1	L162 K166	L162-N164 WeakPolarHBondContact CB-OD1 3.32Å; L162-N164 PolarHBondContact O-N 3.44Å; L162-N164 VanDerWaalsContact O-N 3.14Å; N164-K166 WeakPolarHBondContact OD1-CB 3.43Å; N164-K166 PolarHBondContact OD1-N 2.94Å
165	G	90.5	Very high	92.1	Very high	5 Å²	5	24 Å²	24	5%	0.052	13%	0.128	C	C	.	.	S	Bend	trans	91.6	-6.1	-178.6	0	0	0	0	0	114.1	Y56 F88 L162 P163	Y56-G165 WeakPolarHBondContact CE1-O 3.42Å; F88-G165 VanDerWaalsContact CE2-CA 3.5Å; L162-G165 PolarHBondContact O-N 2.94Å; L162-G165 VanDerWaalsContact O-N 3.1Å; P163-G165 PolarHBondContact O-N 2.91Å; P163-G165 VanDerWaalsContact O-N 3.14Å
166	K	93.4	Very high	90.8	Very high	37 Å²	37	30 Å²	30	16%	0.161	16%	0.156	C	C	.	.			trans	-70.6	131.5	179.6	-175.1	166.4	-179.2	161.9	0	111	L162 N164 E216 Y217 E218	L162-K166 HydrophobicContact CB-CB 4.31Å; L162-K166 HydrophobicContact CD1-CB 4.31Å; L162-K166 HydrophobicContact CD1-CD 4.28Å; L162-K166 HydrophobicContact CD1-CG 4.46Å; L162-K166 PolarHBondContact N-O 3.3Å; N164-K166 WeakPolarHBondContact OD1-CB 3.43Å; N164-K166 PolarHBondContact OD1-N 2.94Å; K166-E216 WeakPolarHBondContact CE-OE1 3.46Å; K166-E216 IonicContact NZ-OE1 2.67Å; K166-E216 PolarHBondContact NZ-OE1 2.89Å; K166-Y217 WeakPolarHBondContact CA-O 3.27Å; K166-E218 HydrophobicContact CD-CG 4.02Å; K166-E218 WeakPolarHBondContact CE-OE1 3.37Å; K166-E218 HydrophobicContact CG-CG 4.05Å; K166-E218 IonicContact NZ-OE1 2.89Å; K166-E218 PolarHBondContact NZ-OE1 3.33Å
167	I	96.2	Very high	89.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.4	177.5	-57.1	166.9	0	0	0	107.2	Y56 F88 F90 F107 F117 L160 I161 L186 Y217	Y56-I167 HydrophobicContact CE1-CD1 4.34Å; F88-I167 HydrophobicContact CZ-CD1 4.07Å; F88-I167 HydrophobicContact CZ-CG1 3.92Å; F90-I167 HydrophobicContact CD2-CD1 3.85Å; F90-I167 HydrophobicContact CE2-CD1 3.82Å; F107-I167 HydrophobicContact CE1-CD1 4.42Å; F107-I167 HydrophobicContact CZ-CD1 3.99Å; F117-I167 HydrophobicContact CD1-CG2 3.43Å; F117-I167 VanDerWaalsContact CD1-CG2 3.43Å; F117-I167 HydrophobicContact CE1-CG2 3.22Å; F117-I167 HydrophobicContact CE2-CG2 4.4Å; F117-I167 HydrophobicContact CG-CG2 4.08Å; F117-I167 HydrophobicContact CZ-CG2 3.74Å; L160-I167 CarbonylContact O-C 3.38Å; L160-I167 WeakPolarHBondContact O-CA 3.26Å; I161-I167 HydrophobicContact CG1-CG2 4.44Å; I167-L186 HydrophobicContact CD1-CD1 4.17Å; I167-L186 HydrophobicContact CD1-CD2 4.2Å; I167-Y217 HydrophobicContact CB-CD2 4.24Å; I167-Y217 HydrophobicContact CG2-CD2 4.18Å; I167-Y217 PolarHBondContact N-O 2.88Å; I167-Y217 WeakPolarHBondContact O-CD2 3.48Å; I167-Y217 PolarHBondContact O-N 2.85Å
168	S	96	Very high	87.5	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.1	-178.8	-53.8	0	0	0	0	112.5	F117 H159 L160 V215	F117-S168 WeakPolarHBondContact CE1-O 3.38Å; F117-S168 WeakPolarHBondContact CZ-O 3.4Å; H159-S168 CarbonylContact C-O 3.57Å; H159-S168 WeakPolarHBondContact CA-O 3.24Å; L160-S168 PolarHBondContact N-O 3.46Å; L160-S168 PolarHBondContact O-N 2.91Å; S168-V215 CarbonylContact C-O 3.58Å; S168-V215 WeakPolarHBondContact CA-O 3.41Å; S168-V215 WeakPolarHBondContact CB-O 3.42Å
169	V	96.2	Very high	85.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.9	165.4	55.1	0	0	0	0	109.8	F117 I157 T158 Y171 V215	F117-V169 HydrophobicContact CE2-CB 4.16Å; F117-V169 HydrophobicContact CE2-CG1 4.2Å; F117-V169 HydrophobicContact CZ-CB 3.61Å; F117-V169 HydrophobicContact CZ-CG1 4.01Å; I157-V169 HydrophobicContact CG2-CG2 3.6Å; T158-V169 CarbonylContact O-C 3.6Å; T158-V169 VanDerWaalsContact O-CA 3.3Å; T158-V169 WeakPolarHBondContact O-CA 3.47Å; V169-Y171 HydrophobicContact CG1-CE2 4.09Å; V169-Y171 HydrophobicContact CG2-CE1 3.93Å; V169-Y171 HydrophobicContact CG2-CE2 4.18Å; V169-V215 HydrophobicContact CG1-CB 3.74Å; V169-V215 HydrophobicContact CG1-CG1 4.48Å; V169-V215 HydrophobicContact CG1-CG2 4.23Å; V169-V215 PolarHBondContact N-O 2.92Å; V169-V215 PolarHBondContact O-N 3.4Å
170	Y	95.7	Very high	84.2	Confident	15 Å²	15	41.4 Å²	41.4	6%	0.059	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.5	175	-179.4	-103	0	0	0	110.8	Q64 S66 P67 I157 T158 D172 T213 L214	Q64-Y170 PolarHBondContact O-OH 3.4Å; S66-Y170 PolarHBondContact N-OH 3.48Å; P67-Y170 HydrophobicContact CG-CG 4.44Å; I157-Y170 WeakPolarHBondContact CA-O 3.49Å; T158-Y170 PolarHBondContact N-O 3.35Å; T158-Y170 PolarHBondContact O-N 3.29Å; Y170-D172 HydrophobicContact CD1-CB 4.19Å; Y170-D172 HydrophobicContact CE1-CB 3.7Å; Y170-T213 WeakPolarHBondContact CD2-O 3.34Å; Y170-L214 HydrophobicContact CD2-CB 4.24Å; Y170-L214 HydrophobicContact CD2-CD1 4.35Å
171	Y	94.2	Very high	83.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.8	-179.5	-59.5	-75.6	0	0	0	110.1	I157 V169 M174 S184 V204 I209 K210 S211 G212 T213 V215	I157-Y171 HydrophobicContact CD1-CD1 4.46Å; I157-Y171 HydrophobicContact CD1-CE1 4.44Å; I157-Y171 HydrophobicContact CG1-CD1 4.03Å; I157-Y171 HydrophobicContact CG1-CE1 4.37Å; I157-Y171 HydrophobicContact CG2-CD1 4.49Å; I157-Y171 HydrophobicContact CG2-CE1 4.35Å; V169-Y171 HydrophobicContact CG1-CE2 4.09Å; V169-Y171 HydrophobicContact CG2-CE1 3.93Å; V169-Y171 HydrophobicContact CG2-CE2 4.18Å; Y171-M174 HydrophobicContact CD1-CE 4.15Å; Y171-M174 HydrophobicContact CD1-CG 4.48Å; Y171-S184 WeakPolarHBondContact OH-CB 3.35Å; Y171-S184 PolarHBondContact OH-OG 3.22Å; Y171-V204 HydrophobicContact CE2-CG1 4.34Å; Y171-I209 HydrophobicContact CD1-CG2 3.8Å; Y171-I209 HydrophobicContact CE1-CG1 4.43Å; Y171-I209 HydrophobicContact CE1-CG2 3.73Å; Y171-I209 HydrophobicContact CE2-CG1 4.48Å; Y171-I209 HydrophobicContact CG-CG2 4.33Å; Y171-K210 WeakPolarHBondContact CB-O 3.5Å; Y171-S211 CarbonylContact O-C 3.58Å; Y171-S211 WeakPolarHBondContact O-CA 3.35Å; Y171-G212 PolarHBondContact O-N 2.92Å; Y171-T213 HydrophobicContact CD2-CG2 4.18Å; Y171-T213 WeakPolarHBondContact CD2-O 3.35Å; Y171-T213 PolarHBondContact N-O 3.42Å; Y171-V215 HydrophobicContact CE2-CG2 4.06Å
172	D	92.1	Very high	82.5	Confident	54 Å²	54	45.6 Å²	45.6	29%	0.289	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.2	-178.2	-166.3	16.3	0	0	0	111	K156 Y170 M174	K156-D172 HydrophobicContact CB-CB 4.08Å; K156-D172 PolarHBondContact N-O 3.1Å; K156-D172 VanDerWaalsContact N-O 3.09Å; K156-D172 PolarHBondContact O-N 3.21Å; Y170-D172 HydrophobicContact CD1-CB 4.19Å; Y170-D172 HydrophobicContact CE1-CB 3.7Å; D172-M174 PolarHBondContact O-N 3.03Å; D172-M174 VanDerWaalsContact O-N 3.08Å
173	N	88.9	Confident	82.2	Confident	65 Å²	65	49.2 Å²	49.2	35%	0.348	27%	0.271	S	S	.	.	S	Bend	trans	58.5	15.8	-179.7	-156.4	31.2	0	0	0	114.9	T154 F155 S211	T154-N173 PolarHBondContact O-ND2 3.37Å; F155-N173 WeakPolarHBondContact CD1-O 3.43Å; F155-N173 WeakPolarHBondContact CE1-O 3.37Å; N173-S211 WeakPolarHBondContact CA-OG 3.29Å; N173-S211 PolarHBondContact N-OG 2.9Å
174	M	83.8	Confident	82.3	Confident	9 Å²	9	46.9 Å²	46.9	4%	0.044	26%	0.256	C	S	.	.			trans	-76.9	125.8	178.8	-65.6	-74.6	-102.4	0	0	111.1	F144 F155 I157 Y171 D172 F182 I209 S211	F144-M174 HydrophobicContact CZ-CE 4.16Å; F144-M174 HydrophobicContact CZ-SD 3.96Å; F155-M174 HydrophobicContact CB-SD 3.89Å; F155-M174 HydrophobicContact CD1-CG 4.49Å; F155-M174 HydrophobicContact CD1-SD 3.79Å; F155-M174 HydrophobicContact CG-SD 4.15Å; I157-M174 HydrophobicContact CD1-CE 3.83Å; I157-M174 HydrophobicContact CG1-CE 4.07Å; Y171-M174 HydrophobicContact CD1-CE 4.15Å; Y171-M174 HydrophobicContact CD1-CG 4.48Å; D172-M174 PolarHBondContact O-N 3.03Å; D172-M174 VanDerWaalsContact O-N 3.08Å; M174-F182 HydrophobicContact CE-CD1 4.13Å; M174-F182 HydrophobicContact CE-CD2 3.95Å; M174-F182 HydrophobicContact CE-CE1 4.08Å; M174-F182 HydrophobicContact CE-CE2 3.92Å; M174-F182 HydrophobicContact CE-CG 4.08Å; M174-F182 HydrophobicContact CE-CZ 4.02Å; M174-I209 HydrophobicContact CE-CG2 3.84Å; M174-S211 WeakPolarHBondContact O-CA 3.41Å; M174-S211 WeakPolarHBondContact O-CB 3.17Å; M174-S211 PolarHBondContact O-N 3Å
175	T	72.1	Confident	82.5	Confident	41 Å²	41	43.6 Å²	43.6	25%	0.252	24%	0.235	S	C	.	.			trans	-108.1	139.1	175.1	55	0	0	0	0	111	R153 E177 F178	R153-T175 VanDerWaalsContact NH1-CG2 3.34Å; T175-E177 PolarHBondContact O-N 3.48Å; T175-F178 VanDerWaalsContact OG1-CD2 3.26Å; T175-F178 WeakPolarHBondContact OG1-CD2 3.48Å; T175-F178 WeakPolarHBondContact OG1-CE2 3.46Å
176	Q	65.3	Low	82.8	Confident	126 Å²	126	43.3 Å²	43.3	59%	0.589	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-67.8	-21.7	177.8	-167.8	172.3	14.1	0	0	112.5	F178 G179	Q176-F178 PolarHBondContact O-N 3.11Å; Q176-G179 PolarHBondContact O-N 2.67Å; Q176-G179 VanDerWaalsContact O-N 3.11Å
177	E	59.5	Low	82.9	Confident	160 Å²	160	42.1 Å²	42.1	75%	0.748	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-50.1	-29	-175.8	-68.5	-177.7	160.9	0	0	114	T175	T175-E177 PolarHBondContact O-N 3.48Å
178	F	56.6	Low	82.9	Confident	53 Å²	53	42.3 Å²	42.3	23%	0.232	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-87.4	-3.2	-172.7	-64.3	-66	0	0	0	114.8	D149 F155 T175 Q176 L180	D149-F178 HydrophobicContact CB-CE1 4.35Å; D149-F178 HydrophobicContact CB-CE2 4.33Å; D149-F178 HydrophobicContact CB-CZ 3.87Å; D149-F178 WeakPolarHBondContact OD1-CZ 3.31Å; F155-F178 HydrophobicContact CZ-CE2 4.15Å; T175-F178 VanDerWaalsContact OG1-CD2 3.26Å; T175-F178 WeakPolarHBondContact OG1-CD2 3.48Å; T175-F178 WeakPolarHBondContact OG1-CE2 3.46Å; Q176-F178 PolarHBondContact O-N 3.11Å; F178-L180 HydrophobicContact CB-CD1 3.45Å; F178-L180 VanDerWaalsContact CB-CD1 3.45Å; F178-L180 HydrophobicContact CB-CD2 3.86Å; F178-L180 HydrophobicContact CB-CG 3.31Å; F178-L180 HydrophobicContact CD2-CD1 4.39Å; F178-L180 HydrophobicContact CG-CD1 4.19Å; F178-L180 HydrophobicContact CG-CG 4.44Å; F178-L180 PolarHBondContact O-N 3.4Å
179	G	58.2	Low	82.6	Confident	72 Å²	72	44 Å²	44	74%	0.742	24%	0.242	S	C	*	.			trans	50.7	25.1	179.2	0	0	0	0	0	113.4	Q176	Q176-G179 PolarHBondContact O-N 2.67Å; Q176-G179 VanDerWaalsContact O-N 3.11Å
180	L	64.2	Low	82.2	Confident	32 Å²	32	44.6 Å²	44.6	17%	0.168	25%	0.245	C	C	.	.			trans	-68	138.1	-163.3	-67.8	164.3	0	0	0	109	D123 I146 F178 F182	D123-L180 HydrophobicContact CB-CD2 4.21Å; D123-L180 WeakPolarHBondContact OD2-CD2 3.41Å; I146-L180 HydrophobicContact CB-CD1 4.47Å; I146-L180 HydrophobicContact CD1-CD1 3.12Å; I146-L180 HydrophobicContact CG1-CD1 3.85Å; I146-L180 HydrophobicContact CG2-CD1 3.95Å; I146-L180 HydrophobicContact CG2-CD2 3.81Å; F178-L180 HydrophobicContact CB-CD1 3.45Å; F178-L180 VanDerWaalsContact CB-CD1 3.45Å; F178-L180 HydrophobicContact CB-CD2 3.86Å; F178-L180 HydrophobicContact CB-CG 3.31Å; F178-L180 HydrophobicContact CD2-CD1 4.39Å; F178-L180 HydrophobicContact CG-CD1 4.19Å; F178-L180 HydrophobicContact CG-CG 4.44Å; F178-L180 PolarHBondContact O-N 3.4Å; L180-F182 HydrophobicContact CB-CD2 3.61Å; L180-F182 HydrophobicContact CB-CE2 3.93Å; L180-F182 HydrophobicContact CD1-CD2 4.24Å; L180-F182 HydrophobicContact CD1-CE2 3.81Å; L180-F182 HydrophobicContact CG-CE2 4.47Å; L180-F182 PolarHBondContact O-N 3.24Å
181	P	73.1	Confident	81.5	Confident	76 Å²	76	45.4 Å²	45.4	49%	0.494	26%	0.255	S	S	.	.			trans	-74.8	58.4	176.8	33.7	-36.4	0	0	0	110.5	D123 Q183	D123-P181 WeakPolarHBondContact OD2-CD 3.48Å; P181-Q183 PolarHBondContact O-N 3.04Å
182	F	81.3	Confident	80.9	Confident	16 Å²	16	45.7 Å²	45.7	7%	0.07	26%	0.257	C	S	.	.			trans	-71.6	122.9	168.7	-90.5	-82.1	0	0	0	109.5	H120 I124 F144 I146 I157 M174 L180 I209	H120-F182 WeakPolarHBondContact O-CA 3.46Å; I124-F182 HydrophobicContact CD1-CE1 3.86Å; I124-F182 HydrophobicContact CD1-CZ 4.15Å; I124-F182 HydrophobicContact CG1-CE1 4.18Å; I124-F182 HydrophobicContact CG1-CZ 3.94Å; F144-F182 HydrophobicContact CD2-CZ 4.5Å; F144-F182 HydrophobicContact CE1-CZ 4.49Å; F144-F182 HydrophobicContact CE2-CE1 4.22Å; F144-F182 HydrophobicContact CE2-CE2 4.22Å; F144-F182 AromaticContact CE2-CZ 3.41Å; F144-F182 HydrophobicContact CE2-CZ 3.41Å; F144-F182 VanDerWaalsContact CE2-CZ 3.41Å; F144-F182 AromaticContact CZ-CE1 3.8Å; F144-F182 HydrophobicContact CZ-CE1 3.8Å; F144-F182 HydrophobicContact CZ-CE2 4.32Å; F144-F182 AromaticContact CZ-CZ 3.38Å; F144-F182 HydrophobicContact CZ-CZ 3.38Å; I146-F182 HydrophobicContact CD1-CE2 4.29Å; I157-F182 HydrophobicContact CD1-CD1 4.04Å; I157-F182 HydrophobicContact CD1-CE1 3.73Å; M174-F182 HydrophobicContact CE-CD1 4.13Å; M174-F182 HydrophobicContact CE-CD2 3.95Å; M174-F182 HydrophobicContact CE-CE1 4.08Å; M174-F182 HydrophobicContact CE-CE2 3.92Å; M174-F182 HydrophobicContact CE-CG 4.08Å; M174-F182 HydrophobicContact CE-CZ 4.02Å; L180-F182 HydrophobicContact CB-CD2 3.61Å; L180-F182 HydrophobicContact CB-CE2 3.93Å; L180-F182 HydrophobicContact CD1-CD2 4.24Å; L180-F182 HydrophobicContact CD1-CE2 3.81Å; L180-F182 HydrophobicContact CG-CE2 4.47Å; L180-F182 PolarHBondContact O-N 3.24Å; F182-I209 HydrophobicContact CB-CD1 3.94Å; F182-I209 HydrophobicContact CB-CG2 4.19Å
183	Q	87.7	Confident	79.9	Confident	100 Å²	100	47.9 Å²	47.9	47%	0.467	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.5	166.8	-63.7	-168.5	16.9	0	0	108.3	S119 H120 P181 R185	S119-Q183 CarbonylContact C-O 3.55Å; S119-Q183 VanDerWaalsContact CA-O 3.31Å; S119-Q183 WeakPolarHBondContact CA-O 3.32Å; H120-Q183 PolarHBondContact N-O 3.33Å; H120-Q183 PolarHBondContact O-N 3.38Å; P181-Q183 PolarHBondContact O-N 3.04Å; Q183-R185 VanDerWaalsContact OE1-NH2 3.14Å
184	S	93.7	Very high	79.2	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.6	165.4	-169.4	0	0	0	0	109.9	F118 S119 Y171 V204	F118-S184 WeakPolarHBondContact O-CA 3.37Å; S119-S184 WeakPolarHBondContact OG-CB 3.5Å; S119-S184 PolarHBondContact OG-OG 3.18Å; Y171-S184 WeakPolarHBondContact OH-CB 3.35Å; Y171-S184 PolarHBondContact OH-OG 3.22Å; S184-V204 PolarHBondContact O-N 3.21Å
185	R	94.5	Very high	78.6	Confident	49 Å²	49	51.9 Å²	51.9	19%	0.185	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	136.7	-171.5	-163.2	-170.7	-61.7	-173.9	9.3	112.4	F118 Q183 S187 H201 T202 F203	F118-R185 HydrophobicContact CE1-CB 4Å; F118-R185 HydrophobicContact CZ-CB 4.06Å; F118-R185 PolarHBondContact N-O 2.94Å; F118-R185 PolarHBondContact O-N 2.95Å; Q183-R185 VanDerWaalsContact OE1-NH2 3.14Å; R185-S187 WeakPolarHBondContact CD-OG 3.1Å; R185-S187 WeakPolarHBondContact CG-OG 3.24Å; R185-H201 HydrophobicContact CG-CB 4.46Å; R185-T202 CarbonylContact C-O 3.58Å; R185-T202 VanDerWaalsContact CA-O 3.22Å; R185-T202 WeakPolarHBondContact CA-O 3.47Å; R185-T202 VanDerWaalsContact CG-O 3.25Å; R185-T202 WeakPolarHBondContact CG-O 3.39Å; R185-F203 HydrophobicContact CG-CD1 4.31Å; R185-F203 HydrophobicContact CG-CE1 4.42Å; R185-F203 HydrophobicContact CG-CG 4.5Å; R185-F203 VanDerWaalsContact NE-CZ 3.34Å
186	L	96.8	Very high	79	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.3	160	-173.3	66.6	0	0	0	108.1	F90 F107 F117 I167 T202 Y217	F90-L186 HydrophobicContact CE2-CD1 3.79Å; F90-L186 HydrophobicContact CE2-CD2 4.24Å; F90-L186 HydrophobicContact CE2-CG 4.19Å; F90-L186 HydrophobicContact CZ-CD1 3.97Å; F90-L186 HydrophobicContact CZ-CG 4.28Å; F107-L186 HydrophobicContact CE2-CD1 3.92Å; F107-L186 HydrophobicContact CZ-CD1 4.35Å; F117-L186 HydrophobicContact CB-CD1 3.64Å; F117-L186 HydrophobicContact CD2-CB 4.32Å; F117-L186 HydrophobicContact CD2-CD1 4.01Å; F117-L186 HydrophobicContact CG-CD1 3.98Å; I167-L186 HydrophobicContact CD1-CD1 4.17Å; I167-L186 HydrophobicContact CD1-CD2 4.2Å; L186-T202 PolarHBondContact N-O 2.84Å; L186-T202 PolarHBondContact O-N 3.45Å; L186-Y217 HydrophobicContact CB-CE2 4.29Å; L186-Y217 HydrophobicContact CD2-CD1 4.15Å; L186-Y217 HydrophobicContact CD2-CD2 4.06Å; L186-Y217 HydrophobicContact CD2-CG 3.85Å
187	S	95.7	Very high	79.9	Confident	11 Å²	11	50.6 Å²	50.6	8%	0.077	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.5	-178.5	-59.7	0	0	0	0	111.3	G115 T116 R185 I200 H201	G115-S187 CarbonylContact C-O 3.46Å; G115-S187 WeakPolarHBondContact CA-O 3.46Å; T116-S187 PolarHBondContact N-O 2.84Å; T116-S187 PolarHBondContact O-N 3.37Å; R185-S187 WeakPolarHBondContact CD-OG 3.1Å; R185-S187 WeakPolarHBondContact CG-OG 3.24Å; S187-I200 VanDerWaalsContact CA-O 3.24Å; S187-I200 WeakPolarHBondContact CA-O 3.26Å; S187-H201 WeakPolarHBondContact CB-ND1 3.11Å; S187-H201 PolarHBondContact OG-ND1 2.97Å
188	A	95.1	Very high	81.2	Confident	5 Å²	5	45.1 Å²	45.1	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.4	174.8	0	0	0	0	0	110.5	F90 Y91 L190 N199 I200	F90-A188 HydrophobicContact CE1-CB 3.75Å; F90-A188 HydrophobicContact CZ-CB 4.02Å; Y91-A188 HydrophobicContact CD1-CB 4.45Å; Y91-A188 HydrophobicContact CD2-CB 3.49Å; Y91-A188 VanDerWaalsContact CD2-CB 3.49Å; Y91-A188 HydrophobicContact CE1-CB 4.34Å; Y91-A188 HydrophobicContact CE2-CB 3.38Å; Y91-A188 HydrophobicContact CG-CB 4.05Å; A188-L190 HydrophobicContact CB-CD2 4.46Å; A188-N199 WeakPolarHBondContact O-CA 3Å; A188-I200 PolarHBondContact N-O 2.86Å; A188-I200 PolarHBondContact O-N 2.86Å
189	S	89.9	Confident	82.7	Confident	40 Å²	40	46.8 Å²	46.8	28%	0.28	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.7	172.2	-157.8	0	0	0	0	108.9	L114 D197 N199	L114-S189 PolarHBondContact O-N 3.14Å; S189-D197 WeakPolarHBondContact OG-CB 3.22Å; S189-N199 WeakPolarHBondContact CB-OD1 3.07Å; S189-N199 PolarHBondContact OG-OD1 3.1Å
190	L	87.5	Confident	84.3	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.058	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.4	-174.5	-56.3	-176	0	0	0	110.1	I33 Y54 Y91 A188 C192 D197 R198 I200	I33-L190 HydrophobicContact CD1-CB 4.21Å; I33-L190 HydrophobicContact CD1-CD1 3.81Å; I33-L190 HydrophobicContact CG1-CD1 4.15Å; Y54-L190 HydrophobicContact CD1-CD1 3.67Å; Y54-L190 HydrophobicContact CE1-CD1 3.43Å; Y54-L190 VanDerWaalsContact CE1-CD1 3.43Å; Y91-L190 HydrophobicContact CD1-CD1 3.95Å; Y91-L190 HydrophobicContact CD1-CD2 4.27Å; Y91-L190 HydrophobicContact CG-CD2 4.14Å; A188-L190 HydrophobicContact CB-CD2 4.46Å; L190-C192 PolarHBondContact O-N 2.87Å; L190-D197 CarbonylContact O-C 3.57Å; L190-D197 WeakPolarHBondContact O-CA 3.25Å; L190-R198 PolarHBondContact N-O 3.07Å; L190-R198 PolarHBondContact O-N 2.79Å; L190-I200 HydrophobicContact CD1-CD1 3.4Å; L190-I200 VanDerWaalsContact CD1-CD1 3.4Å; L190-I200 HydrophobicContact CG-CD1 4.09Å
191	A	82.1	Confident	85.6	Confident	32 Å²	32	45 Å²	45	26%	0.264	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.3	178.9	0	0	0	0	0	111.4	D197 P338	A191-D197 VanDerWaalsContact CA-OD1 3.3Å; A191-D197 WeakPolarHBondContact CA-OD1 3.34Å; A191-D197 WeakPolarHBondContact CB-OD1 3.11Å; A191-P338 HydrophobicContact CB-CG 4.06Å
192	C	79.7	Confident	86.6	Confident	6 Å²	6	41.4 Å²	41.4	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.6	169.1	-85.7	0	0	0	0	109.9	C30 L190 G194 E195 G196 R198	C30-C192 HydrophobicContact CB-CB 4.06Å; C30-C192 WeakPolarHBondContact CB-SG 3.36Å; C30-C192 VanDerWaalsContact SG-CA 3.55Å; C30-C192 WeakPolarHBondContact SG-CB 3.49Å; C30-C192 CovalentContact SG-SG 2.03Å; C30-C192 PolarHBondContact SG-SG 2.96Å; L190-C192 PolarHBondContact O-N 2.87Å; C192-G194 PolarHBondContact O-N 3.43Å; C192-E195 HydrophobicContact CB-CB 4.28Å; C192-E195 PolarHBondContact O-N 2.82Å; C192-G196 WeakPolarHBondContact CB-O 3.49Å; C192-G196 PolarHBondContact N-O 3.03Å; C192-G196 VanDerWaalsContact N-O 3.13Å; C192-G196 PolarHBondContact O-N 3.01Å; C192-R198 HydrophobicContact CB-CG 4.22Å; C192-R198 VanDerWaalsContact SG-CG 3.56Å
193	D	73.2	Confident	87.2	Confident	101 Å²	101	45.1 Å²	45.1	54%	0.54	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	121.6	-175.2	-162.9	14.8	0	0	0	110.7	E195 K335	D193-E195 PolarHBondContact O-N 2.77Å; D193-K335 WeakPolarHBondContact OD2-CE 3.42Å
194	G	72.5	Confident	87.4	Confident	82 Å²	82	40.8 Å²	40.8	85%	0.845	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	-7.8	-178	0	0	0	0	0	116.8	C192	C192-G194 PolarHBondContact O-N 3.43Å
195	E	72.8	Confident	87.3	Confident	75 Å²	75	44.8 Å²	44.8	35%	0.35	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	5.3	-175.2	-51.2	-169	156.4	0	0	114.9	Q27 C192 D193 R198	Q27-E195 PolarHBondContact NE2-OE1 2.73Å; Q27-E195 PolarHBondContact OE1-OE1 3.14Å; C192-E195 HydrophobicContact CB-CB 4.28Å; C192-E195 PolarHBondContact O-N 2.82Å; D193-E195 PolarHBondContact O-N 2.77Å; E195-R198 PolarHBondContact O-NH1 2.81Å; E195-R198 PolarHBondContact O-NH2 3.44Å; E195-R198 IonicContact OE2-CZ 3.71Å; E195-R198 IonicContact OE2-NH2 2.67Å; E195-R198 PolarHBondContact OE2-NH2 2.9Å
196	G	80.6	Confident	87	Confident	41 Å²	41	45.4 Å²	45.4	42%	0.423	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.1	-176.2	-178.6	0	0	0	0	0	113.5	C192 R198	C192-G196 WeakPolarHBondContact CB-O 3.49Å; C192-G196 PolarHBondContact N-O 3.03Å; C192-G196 VanDerWaalsContact N-O 3.13Å; C192-G196 PolarHBondContact O-N 3.01Å; G196-R198 PolarHBondContact O-NH1 3.05Å
197	D	84	Confident	86.6	Confident	100 Å²	100	49 Å²	49	54%	0.535	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	144.3	-174.3	-63.3	-15	0	0	0	112.2	S189 L190 A191	S189-D197 WeakPolarHBondContact OG-CB 3.22Å; L190-D197 CarbonylContact O-C 3.57Å; L190-D197 WeakPolarHBondContact O-CA 3.25Å; A191-D197 VanDerWaalsContact CA-OD1 3.3Å; A191-D197 WeakPolarHBondContact CA-OD1 3.34Å; A191-D197 WeakPolarHBondContact CB-OD1 3.11Å
198	R	85.2	Confident	86.4	Confident	45 Å²	45	49 Å²	49	17%	0.17	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.6	172.7	-62.4	-67.6	174.7	-96.1	7.2	108.3	I33 L190 C192 E195 G196	I33-R198 HydrophobicContact CG2-CB 3.68Å; I33-R198 HydrophobicContact CG2-CG 4.11Å; L190-R198 PolarHBondContact N-O 3.07Å; L190-R198 PolarHBondContact O-N 2.79Å; C192-R198 HydrophobicContact CB-CG 4.22Å; C192-R198 VanDerWaalsContact SG-CG 3.56Å; E195-R198 PolarHBondContact O-NH1 2.81Å; E195-R198 PolarHBondContact O-NH2 3.44Å; E195-R198 IonicContact OE2-CZ 3.71Å; E195-R198 IonicContact OE2-NH2 2.67Å; E195-R198 PolarHBondContact OE2-NH2 2.9Å; G196-R198 PolarHBondContact O-NH1 3.05Å
199	N	89.5	Confident	86.2	Confident	88 Å²	88	49.5 Å²	49.5	47%	0.471	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.7	174.3	-62.4	-47.2	0	0	0	109.8	A188 S189	A188-N199 WeakPolarHBondContact O-CA 3Å; S189-N199 WeakPolarHBondContact CB-OD1 3.07Å; S189-N199 PolarHBondContact OG-OD1 3.1Å
200	I	91.7	Very high	86.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.8	173	-60.8	165.4	0	0	0	107.2	I33 K37 Y54 Y91 S187 A188 L190	I33-I200 HydrophobicContact CG2-CD1 4.02Å; I33-I200 HydrophobicContact CG2-CG1 4.11Å; K37-I200 HydrophobicContact CB-CG1 4.11Å; Y54-I200 HydrophobicContact CD1-CD1 3.6Å; Y54-I200 HydrophobicContact CG-CD1 4.14Å; Y91-I200 HydrophobicContact CD1-CD1 4.33Å; Y91-I200 HydrophobicContact CE1-CD1 3.74Å; S187-I200 VanDerWaalsContact CA-O 3.24Å; S187-I200 WeakPolarHBondContact CA-O 3.26Å; A188-I200 PolarHBondContact N-O 2.86Å; A188-I200 PolarHBondContact O-N 2.86Å; L190-I200 HydrophobicContact CD1-CD1 3.4Å; L190-I200 VanDerWaalsContact CD1-CD1 3.4Å; L190-I200 HydrophobicContact CG-CD1 4.09Å
201	H	92.1	Very high	86.5	Confident	67 Å²	67	52.5 Å²	52.5	31%	0.31	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	119.3	178.5	-62.1	-61.6	0	0	0	109.6	R185 S187 F203	R185-H201 HydrophobicContact CG-CB 4.46Å; S187-H201 WeakPolarHBondContact CB-ND1 3.11Å; S187-H201 PolarHBondContact OG-ND1 2.97Å; H201-F203 HydrophobicContact CB-CD2 4.15Å; H201-F203 HydrophobicContact CB-CE2 3.43Å; H201-F203 VanDerWaalsContact CB-CE2 3.43Å; H201-F203 HydrophobicContact CB-CZ 4.02Å
202	T	93.7	Very high	87	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.7	176.5	-44.6	0	0	0	0	108.1	Y53 Q58 R185 L186 Y217	Y53-T202 HydrophobicContact CD1-CG2 4.05Å; Y53-T202 HydrophobicContact CD2-CG2 3.73Å; Y53-T202 HydrophobicContact CE1-CG2 3.8Å; Y53-T202 HydrophobicContact CE2-CG2 3.47Å; Y53-T202 VanDerWaalsContact CE2-CG2 3.47Å; Y53-T202 HydrophobicContact CG-CG2 4.02Å; Q58-T202 HydrophobicContact CB-CG2 4.38Å; R185-T202 CarbonylContact C-O 3.58Å; R185-T202 VanDerWaalsContact CA-O 3.22Å; R185-T202 WeakPolarHBondContact CA-O 3.47Å; R185-T202 VanDerWaalsContact CG-O 3.25Å; R185-T202 WeakPolarHBondContact CG-O 3.39Å; L186-T202 PolarHBondContact N-O 2.84Å; L186-T202 PolarHBondContact O-N 3.45Å; T202-Y217 HydrophobicContact CG2-CD1 4.01Å; T202-Y217 HydrophobicContact CG2-CE1 3.31Å
203	F	92.5	Very high	87.7	Confident	94 Å²	94	51 Å²	51	41%	0.412	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.5	-175	-67	-99.9	0	0	0	111.1	Q58 R185 H201	Q58-F203 PolarHBondContact NE2-O 3.09Å; R185-F203 HydrophobicContact CG-CD1 4.31Å; R185-F203 HydrophobicContact CG-CE1 4.42Å; R185-F203 HydrophobicContact CG-CG 4.5Å; R185-F203 VanDerWaalsContact NE-CZ 3.34Å; H201-F203 HydrophobicContact CB-CD2 4.15Å; H201-F203 HydrophobicContact CB-CE2 3.43Å; H201-F203 VanDerWaalsContact CB-CE2 3.43Å; H201-F203 HydrophobicContact CB-CZ 4.02Å
204	V	93.1	Very high	88.8	Confident	9 Å²	9	46.8 Å²	46.8	6%	0.055	27%	0.274	C	S	.	.			trans	-95.1	115.4	160.9	-172.5	0	0	0	0	107.4	Y171 S184 W208 I209 V215	Y171-V204 HydrophobicContact CE2-CG1 4.34Å; S184-V204 PolarHBondContact O-N 3.21Å; V204-W208 HydrophobicContact CG1-CB 3.96Å; V204-I209 HydrophobicContact CB-CD1 4.43Å; V204-I209 HydrophobicContact CB-CG1 4.29Å; V204-I209 HydrophobicContact CG1-CD1 4.41Å; V204-I209 HydrophobicContact CG1-CG1 3.75Å; V204-V215 HydrophobicContact CG1-CG2 3.9Å; V204-V215 HydrophobicContact CG2-CB 4.38Å; V204-V215 HydrophobicContact CG2-CG1 4.09Å; V204-V215 HydrophobicContact CG2-CG2 3.97Å
205	D	90.4	Very high	89.9	Confident	85 Å²	85	42.9 Å²	42.9	46%	0.455	23%	0.234	S	C	.	.			trans	-58.6	138.1	174.7	-172.4	-58.5	0	0	0	109.7	K207 W208	D205-K207 HydrophobicContact CB-CG 4.32Å; D205-K207 PolarHBondContact O-N 2.86Å; D205-K207 VanDerWaalsContact OD1-CG 3.29Å; D205-K207 WeakPolarHBondContact OD1-CG 3.12Å; D205-K207 PolarHBondContact OD1-N 2.04Å; D205-W208 WeakPolarHBondContact O-CB 2.98Å; D205-W208 PolarHBondContact O-N 3.29Å
206	A	88.4	Confident	91	Very high	61 Å²	61	40.3 Å²	40.3	50%	0.504	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-54.1	-31.1	-176.1	0	0	0	0	0	113	W208 I209	A206-W208 PolarHBondContact O-N 2.71Å; A206-I209 PolarHBondContact O-N 2.99Å; A206-I209 VanDerWaalsContact O-N 3.12Å
207	K	89	Confident	91.8	Very high	75 Å²	75	38.4 Å²	38.4	33%	0.326	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-62.9	-22.6	177.2	77.8	-169.2	-178.3	177.4	0	113.9	E44 D205	E44-K207 WeakPolarHBondContact OE1-CE 3.5Å; E44-K207 IonicContact OE1-NZ 3.54Å; E44-K207 PolarHBondContact OE1-NZ 3.46Å; E44-K207 IonicContact OE2-NZ 2.66Å; D205-K207 HydrophobicContact CB-CG 4.32Å; D205-K207 PolarHBondContact O-N 2.86Å; D205-K207 VanDerWaalsContact OD1-CG 3.29Å; D205-K207 WeakPolarHBondContact OD1-CG 3.12Å; D205-K207 PolarHBondContact OD1-N 2.04Å
208	W	91.9	Very high	92.2	Very high	13 Å²	13	35.7 Å²	35.7	5%	0.049	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-90.6	-17.7	178.2	-63.8	120.3	0	0	0	112.7	E44 D45 A49 I60 V62 V204 D205 A206 K210 T213	E44-W208 HydrophobicContact CG-CZ2 3.81Å; D45-W208 VanDerWaalsContact O-CH2 3.28Å; D45-W208 WeakPolarHBondContact O-CH2 3.29Å; A49-W208 HydrophobicContact CB-CZ2 3.83Å; I60-W208 HydrophobicContact CD1-CB 4.29Å; I60-W208 HydrophobicContact CD1-CD2 4.4Å; I60-W208 HydrophobicContact CD1-CG 3.85Å; I60-W208 HydrophobicContact CG2-CB 4Å; I60-W208 HydrophobicContact CG2-CD2 3.71Å; I60-W208 HydrophobicContact CG2-CE3 3.71Å; I60-W208 HydrophobicContact CG2-CG 3.84Å; I60-W208 HydrophobicContact CG2-CZ3 4.42Å; V62-W208 HydrophobicContact CG1-CE3 3.62Å; V62-W208 HydrophobicContact CG1-CZ3 3.53Å; V204-W208 HydrophobicContact CG1-CB 3.96Å; D205-W208 WeakPolarHBondContact O-CB 2.98Å; D205-W208 PolarHBondContact O-N 3.29Å; A206-W208 PolarHBondContact O-N 2.71Å; W208-K210 VanDerWaalsContact C-N 3.25Å; W208-K210 PolarHBondContact O-N 3.45Å; W208-T213 HydrophobicContact CB-CG2 4.47Å; W208-T213 WeakPolarHBondContact O-CB 3.14Å; W208-T213 WeakPolarHBondContact O-CG2 3.28Å; W208-T213 PolarHBondContact O-OG1 3.48Å
209	I	90.6	Very high	92.6	Very high	15 Å²	15	35.7 Å²	35.7	8%	0.077	19%	0.191	C	C	.	.			trans	-78.5	76.8	-179.3	-54.7	-179.7	0	0	0	109.4	Y171 M174 F182 V204 A206	Y171-I209 HydrophobicContact CD1-CG2 3.8Å; Y171-I209 HydrophobicContact CE1-CG1 4.43Å; Y171-I209 HydrophobicContact CE1-CG2 3.73Å; Y171-I209 HydrophobicContact CE2-CG1 4.48Å; Y171-I209 HydrophobicContact CG-CG2 4.33Å; M174-I209 HydrophobicContact CE-CG2 3.84Å; F182-I209 HydrophobicContact CB-CD1 3.94Å; F182-I209 HydrophobicContact CB-CG2 4.19Å; V204-I209 HydrophobicContact CB-CD1 4.43Å; V204-I209 HydrophobicContact CB-CG1 4.29Å; V204-I209 HydrophobicContact CG1-CD1 4.41Å; V204-I209 HydrophobicContact CG1-CG1 3.75Å; A206-I209 PolarHBondContact O-N 2.99Å; A206-I209 VanDerWaalsContact O-N 3.12Å
210	K	90.4	Very high	92.7	Very high	61 Å²	61	31.6 Å²	31.6	27%	0.265	17%	0.169	S	C	.	.	S	Bend	trans	-140.9	161.5	179.6	62.3	-174.1	177.8	-171.9	0	110.4	V62 Y171 W208 G212 T213	V62-K210 VanDerWaalsContact CG1-CE 3.46Å; Y171-K210 WeakPolarHBondContact CB-O 3.5Å; W208-K210 VanDerWaalsContact C-N 3.25Å; W208-K210 PolarHBondContact O-N 3.45Å; K210-G212 PolarHBondContact O-N 2.93Å; K210-T213 WeakPolarHBondContact CG-OG1 3.41Å; K210-T213 WeakPolarHBondContact O-CB 3.27Å; K210-T213 PolarHBondContact O-N 3.25Å; K210-T213 VanDerWaalsContact O-N 3.09Å; K210-T213 PolarHBondContact O-OG1 3.34Å
211	S	92.6	Very high	92.5	Very high	53 Å²	53	33.4 Å²	33.4	37%	0.371	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	135.7	-176	-168.7	0	0	0	0	110.9	Y171 N173 M174 T213	Y171-S211 CarbonylContact O-C 3.58Å; Y171-S211 WeakPolarHBondContact O-CA 3.35Å; N173-S211 WeakPolarHBondContact CA-OG 3.29Å; N173-S211 PolarHBondContact N-OG 2.9Å; M174-S211 WeakPolarHBondContact O-CA 3.41Å; M174-S211 WeakPolarHBondContact O-CB 3.17Å; M174-S211 PolarHBondContact O-N 3Å; S211-T213 VanDerWaalsContact C-N 3.28Å; S211-T213 PolarHBondContact O-N 3.24Å
212	G	93.1	Very high	92.3	Very high	7 Å²	7	33.8 Å²	33.8	7%	0.072	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	9.4	-178	0	0	0	0	0	114	V62 N63 Q64 Y171 K210	V62-G212 CarbonylContact C-O 3.53Å; N63-G212 PolarHBondContact N-O 3.05Å; Q64-G212 PolarHBondContact N-O 3.39Å; Y171-G212 PolarHBondContact O-N 2.92Å; K210-G212 PolarHBondContact O-N 2.93Å
213	T	94.6	Very high	92.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129.7	169.8	-61.7	0	0	0	0	110.5	I60 R61 Y170 Y171 W208 K210 S211 V215	I60-T213 HydrophobicContact CG2-CG2 3.77Å; R61-T213 WeakPolarHBondContact O-CA 3.37Å; Y170-T213 WeakPolarHBondContact CD2-O 3.34Å; Y171-T213 HydrophobicContact CD2-CG2 4.18Å; Y171-T213 WeakPolarHBondContact CD2-O 3.35Å; Y171-T213 PolarHBondContact N-O 3.42Å; W208-T213 HydrophobicContact CB-CG2 4.47Å; W208-T213 WeakPolarHBondContact O-CB 3.14Å; W208-T213 WeakPolarHBondContact O-CG2 3.28Å; W208-T213 PolarHBondContact O-OG1 3.48Å; K210-T213 WeakPolarHBondContact CG-OG1 3.41Å; K210-T213 WeakPolarHBondContact O-CB 3.27Å; K210-T213 PolarHBondContact O-N 3.25Å; K210-T213 VanDerWaalsContact O-N 3.09Å; K210-T213 PolarHBondContact O-OG1 3.34Å; S211-T213 VanDerWaalsContact C-N 3.28Å; S211-T213 PolarHBondContact O-N 3.24Å; T213-V215 HydrophobicContact CG2-CG2 4.07Å
214	L	96	Very high	92	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126	168.1	-179.4	62.5	0	0	0	108.9	R61 Q64 P67 Y170 E216	R61-L214 PolarHBondContact N-O 2.97Å; R61-L214 PolarHBondContact O-N 2.81Å; Q64-L214 HydrophobicContact CB-CB 3.99Å; Q64-L214 HydrophobicContact CG-CB 3.91Å; P67-L214 HydrophobicContact CB-CD1 4.44Å; P67-L214 HydrophobicContact CG-CD1 3.91Å; Y170-L214 HydrophobicContact CD2-CB 4.24Å; Y170-L214 HydrophobicContact CD2-CD1 4.35Å; L214-E216 HydrophobicContact CD1-CG 4.3Å; L214-E216 HydrophobicContact CD2-CG 3.93Å; L214-E216 HydrophobicContact CG-CG 3.71Å
215	V	96.4	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.7	170.8	-177.2	0	0	0	0	108.2	Q58 I59 I60 S168 V169 Y171 V204 T213 Y217	Q58-V215 HydrophobicContact CG-CG1 3.82Å; I59-V215 CarbonylContact O-C 3.45Å; I59-V215 WeakPolarHBondContact O-CA 3.07Å; I60-V215 HydrophobicContact CD1-CG2 4.49Å; I60-V215 HydrophobicContact CG1-CG1 4.11Å; I60-V215 HydrophobicContact CG1-CG2 4.07Å; I60-V215 HydrophobicContact CG2-CG2 4.22Å; S168-V215 CarbonylContact C-O 3.58Å; S168-V215 WeakPolarHBondContact CA-O 3.41Å; S168-V215 WeakPolarHBondContact CB-O 3.42Å; V169-V215 HydrophobicContact CG1-CB 3.74Å; V169-V215 HydrophobicContact CG1-CG1 4.48Å; V169-V215 HydrophobicContact CG1-CG2 4.23Å; V169-V215 PolarHBondContact N-O 2.92Å; V169-V215 PolarHBondContact O-N 3.4Å; Y171-V215 HydrophobicContact CE2-CG2 4.06Å; V204-V215 HydrophobicContact CG1-CG2 3.9Å; V204-V215 HydrophobicContact CG2-CB 4.38Å; V204-V215 HydrophobicContact CG2-CG1 4.09Å; V204-V215 HydrophobicContact CG2-CG2 3.97Å; T213-V215 HydrophobicContact CG2-CG2 4.07Å; V215-Y217 HydrophobicContact CG1-CE1 4.24Å; V215-Y217 HydrophobicContact CG1-CE2 4.06Å
216	E	96.3	Very high	91.6	Very high	21 Å²	21	33.3 Å²	33.3	10%	0.098	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.8	-174.9	-52.8	-177.8	101.1	0	0	109	Q58 I59 R61 K166 L214	Q58-E216 CarbonylContact C-O 3.54Å; Q58-E216 WeakPolarHBondContact CA-O 3.46Å; I59-E216 HydrophobicContact CB-CB 4.48Å; I59-E216 PolarHBondContact N-O 3.28Å; I59-E216 PolarHBondContact O-N 2.86Å; R61-E216 IonicContact NE-OE2 3.22Å; K166-E216 WeakPolarHBondContact CE-OE1 3.46Å; K166-E216 IonicContact NZ-OE1 2.67Å; K166-E216 PolarHBondContact NZ-OE1 2.89Å; L214-E216 HydrophobicContact CD1-CG 4.3Å; L214-E216 HydrophobicContact CD2-CG 3.93Å; L214-E216 HydrophobicContact CG-CG 3.71Å
217	Y	96.1	Very high	91.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.8	173	-55	-76.1	0	0	0	108.3	S57 Q58 F117 K166 I167 L186 T202 V215	S57-Y217 VanDerWaalsContact O-CA 3.24Å; S57-Y217 WeakPolarHBondContact O-CA 3.43Å; Q58-Y217 HydrophobicContact CB-CD1 3.97Å; Q58-Y217 HydrophobicContact CB-CE1 3.86Å; Q58-Y217 HydrophobicContact CG-CD1 4.08Å; Q58-Y217 HydrophobicContact CG-CE1 3.56Å; Q58-Y217 PolarHBondContact NE2-OH 2.94Å; Q58-Y217 VanDerWaalsContact NE2-OH 3.15Å; F117-Y217 AromaticContact CE2-CE2 3.89Å; F117-Y217 HydrophobicContact CE2-CE2 3.89Å; F117-Y217 HydrophobicContact CZ-CE2 4.2Å; K166-Y217 WeakPolarHBondContact CA-O 3.27Å; I167-Y217 HydrophobicContact CB-CD2 4.24Å; I167-Y217 HydrophobicContact CG2-CD2 4.18Å; I167-Y217 PolarHBondContact N-O 2.88Å; I167-Y217 WeakPolarHBondContact O-CD2 3.48Å; I167-Y217 PolarHBondContact O-N 2.85Å; L186-Y217 HydrophobicContact CB-CE2 4.29Å; L186-Y217 HydrophobicContact CD2-CD1 4.15Å; L186-Y217 HydrophobicContact CD2-CD2 4.06Å; L186-Y217 HydrophobicContact CD2-CG 3.85Å; T202-Y217 HydrophobicContact CG2-CD1 4.01Å; T202-Y217 HydrophobicContact CG2-CE1 3.31Å; V215-Y217 HydrophobicContact CG1-CE1 4.24Å; V215-Y217 HydrophobicContact CG1-CE2 4.06Å
218	E	93.6	Very high	91.7	Very high	43 Å²	43	34.5 Å²	34.5	20%	0.201	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.9	-178.1	-67.8	-175.8	-179	0	0	111	Y56 S57 K166 S220	Y56-E218 CarbonylContact C-O 3.55Å; Y56-E218 VanDerWaalsContact CA-O 3.24Å; Y56-E218 WeakPolarHBondContact CA-O 3Å; Y56-E218 WeakPolarHBondContact CD1-O 3.32Å; S57-E218 PolarHBondContact N-O 2.86Å; S57-E218 PolarHBondContact O-N 2.8Å; S57-E218 PolarHBondContact OG-O 2.03Å; K166-E218 HydrophobicContact CD-CG 4.02Å; K166-E218 WeakPolarHBondContact CE-OE1 3.37Å; K166-E218 HydrophobicContact CG-CG 4.05Å; K166-E218 IonicContact NZ-OE1 2.89Å; K166-E218 PolarHBondContact NZ-OE1 3.33Å; E218-S220 PolarHBondContact O-N 3.49Å
219	V	92.6	Very high	91.7	Very high	46 Å²	46	37 Å²	37	28%	0.279	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	120	178.9	178	0	0	0	0	108.5	H55 Y56 G221	H55-V219 WeakPolarHBondContact O-CA 3.14Å; Y56-V219 HydrophobicContact CD1-CG2 4.41Å; Y56-V219 HydrophobicContact CE1-CG2 3.8Å; V219-G221 VanDerWaalsContact C-N 3.3Å; V219-G221 PolarHBondContact O-N 3.44Å
220	S	91	Very high	91.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	23%	0.227	C	C	.	.			trans	-79.3	-14.2	-173.4	-50.8	0	0	0	0	114.5	Q52 H55 S57 E218 D222 C223 P224	Q52-S220 PolarHBondContact NE2-OG 3.5Å; H55-S220 PolarHBondContact O-N 3.48Å; S57-S220 PolarHBondContact N-OG 2.77Å; E218-S220 PolarHBondContact O-N 3.49Å; S220-D222 PolarHBondContact O-N 2.83Å; S220-C223 PolarHBondContact O-N 3.36Å; S220-P224 WeakPolarHBondContact O-CD 3.25Å
221	G	87.9	Confident	91.6	Very high	37 Å²	37	42.6 Å²	42.6	38%	0.381	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-133.2	-176.7	0	0	0	0	0	111.6	V219	V219-G221 VanDerWaalsContact C-N 3.3Å; V219-G221 PolarHBondContact O-N 3.44Å
222	D	87.5	Confident	91.5	Very high	75 Å²	75	40 Å²	40	40%	0.401	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-4	-179.8	-66.1	-36.4	0	0	0	113.6	S220 K225	S220-D222 PolarHBondContact O-N 2.83Å; D222-K225 HydrophobicContact CB-CD 4.32Å; D222-K225 VanDerWaalsContact O-CB 3.28Å; D222-K225 WeakPolarHBondContact O-CB 3.41Å; D222-K225 PolarHBondContact O-N 3.39Å; D222-K225 WeakPolarHBondContact OD1-CD 3.04Å; D222-K225 WeakPolarHBondContact OD1-CE 3.47Å; D222-K225 IonicContact OD1-NZ 2.69Å; D222-K225 PolarHBondContact OD1-NZ 3.1Å
223	C	90.5	Very high	91.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-51.3	-50.4	-177.2	-54.7	0	0	0	0	112.3	S220 K225 H226 C242 C251	S220-C223 PolarHBondContact O-N 3.36Å; C223-K225 PolarHBondContact O-N 3.03Å; C223-H226 PolarHBondContact O-N 3.43Å; C223-H226 VanDerWaalsContact O-N 3.11Å; C223-C242 WeakPolarHBondContact CA-SG 3.39Å; C223-C242 HydrophobicContact CB-CB 3.78Å; C223-C242 WeakPolarHBondContact CB-SG 3.4Å; C223-C242 VanDerWaalsContact SG-CA 3.52Å; C223-C242 WeakPolarHBondContact SG-CB 3.39Å; C223-C242 CovalentContact SG-SG 2.04Å; C223-C242 PolarHBondContact SG-SG 3.36Å; C223-C251 CarbonylContact C-O 3.55Å; C223-C251 WeakPolarHBondContact O-CB 3.38Å; C223-C251 PolarHBondContact O-SG 3.4Å; C223-C251 VanDerWaalsContact O-SG 3.33Å
224	P	89.9	Confident	90.5	Very high	32 Å²	32	53.2 Å²	53.2	21%	0.208	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-66.1	-10.5	-177.9	-19	33.6	0	0	0	114.8	Q52 S220 C251	Q52-P224 VanDerWaalsContact CD-CG 3.42Å; Q52-P224 HydrophobicContact CG-CB 4.11Å; Q52-P224 HydrophobicContact CG-CG 4.05Å; S220-P224 WeakPolarHBondContact O-CD 3.25Å; P224-C251 WeakPolarHBondContact CA-O 3.22Å
225	K	86.6	Confident	89.4	Confident	109 Å²	109	53.6 Å²	53.6	47%	0.474	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-86.8	-16.2	179.2	-55.6	178.2	-175.2	164.2	0	112.5	D222 C223 D227	D222-K225 HydrophobicContact CB-CD 4.32Å; D222-K225 VanDerWaalsContact O-CB 3.28Å; D222-K225 WeakPolarHBondContact O-CB 3.41Å; D222-K225 PolarHBondContact O-N 3.39Å; D222-K225 WeakPolarHBondContact OD1-CD 3.04Å; D222-K225 WeakPolarHBondContact OD1-CE 3.47Å; D222-K225 IonicContact OD1-NZ 2.69Å; D222-K225 PolarHBondContact OD1-NZ 3.1Å; C223-K225 PolarHBondContact O-N 3.03Å; K225-D227 PolarHBondContact O-N 2.75Å
226	H	89	Confident	87.7	Confident	37 Å²	37	63.2 Å²	63.2	17%	0.171	32%	0.321	C	S	.	.			trans	-79.4	118.4	176.5	-56.8	-44.9	0	0	0	109.6	C223 I231 C232 S235 C251	C223-H226 PolarHBondContact O-N 3.43Å; C223-H226 VanDerWaalsContact O-N 3.11Å; H226-I231 HydrophobicContact CB-CB 4.46Å; H226-I231 HydrophobicContact CB-CG2 4.05Å; H226-I231 VanDerWaalsContact ND1-CG2 3.29Å; H226-I231 WeakPolarHBondContact ND1-CG2 3.39Å; H226-C232 HydrophobicContact CB-CB 4.19Å; H226-S235 PolarHBondContact CD2-OG 3.14Å; H226-S235 VanDerWaalsContact NE2-CB 3.35Å; H226-S235 WeakPolarHBondContact NE2-CB 3.34Å; H226-S235 PolarHBondContact NE2-OG 3.06Å; H226-C251 HydrophobicContact CB-CB 3.87Å; H226-C251 WeakPolarHBondContact O-CB 3.34Å
227	D	88.9	Confident	86	Confident	134 Å²	134	64.2 Å²	64.2	72%	0.717	33%	0.329	S	S	*	.			trans	-98.3	-2.5	-174.8	62.6	-10.7	0	0	0	113.6	K225 W244	K225-D227 PolarHBondContact O-N 2.75Å; D227-W244 WeakPolarHBondContact O-CH2 3.14Å
228	S	91	Very high	84.2	Confident	27 Å²	27	69.8 Å²	69.8	19%	0.189	37%	0.367	C	S	.	.	S	Bend	trans	-128.2	151.8	176.9	108.2	0	0	0	0	111.7	E230 I231 C232 W244	S228-E230 VanDerWaalsContact C-N 3.32Å; S228-E230 VanDerWaalsContact CB-OE2 3.27Å; S228-E230 WeakPolarHBondContact CB-OE2 3.24Å; S228-E230 PolarHBondContact O-N 2.9Å; S228-E230 PolarHBondContact OG-N 3.29Å; S228-E230 PolarHBondContact OG-OE2 2.84Å; S228-I231 WeakPolarHBondContact OG-CG1 3.37Å; S228-I231 PolarHBondContact OG-N 2.81Å; S228-C232 VanDerWaalsContact O-CB 3.29Å; S228-C232 WeakPolarHBondContact O-CB 3.35Å; S228-C232 PolarHBondContact O-N 2.91Å; S228-W244 VanDerWaalsContact C-CZ3 3.49Å
229	M	90.6	Very high	82.9	Confident	65 Å²	65	74.6 Å²	74.6	32%	0.32	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-41.7	178.4	179.5	172.4	176.9	0	0	111.4	C232 Q233 W244	M229-C232 WeakPolarHBondContact O-CB 3.28Å; M229-C232 PolarHBondContact O-N 3.14Å; M229-Q233 HydrophobicContact CG-CG 4.42Å; M229-Q233 WeakPolarHBondContact O-CB 3.3Å; M229-Q233 VanDerWaalsContact O-CG 3.3Å; M229-Q233 WeakPolarHBondContact O-CG 3.44Å; M229-Q233 PolarHBondContact O-N 2.81Å; M229-W244 HydrophobicContact CB-CB 4.42Å; M229-W244 HydrophobicContact CB-CD2 3.87Å; M229-W244 HydrophobicContact CB-CE3 4.49Å; M229-W244 HydrophobicContact CB-CG 3.8Å; M229-W244 HydrophobicContact CG-CB 3.98Å; M229-W244 HydrophobicContact CG-CD2 4.36Å; M229-W244 HydrophobicContact CG-CG 3.75Å; M229-W244 HydrophobicContact SD-CG 4.49Å
230	E	90.4	Very high	82.1	Confident	117 Å²	117	73.6 Å²	73.6	55%	0.547	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-51.6	-177.9	-55.4	75.7	-164.2	0	0	110.2	S228 C232 Q233 E234	S228-E230 VanDerWaalsContact C-N 3.32Å; S228-E230 VanDerWaalsContact CB-OE2 3.27Å; S228-E230 WeakPolarHBondContact CB-OE2 3.24Å; S228-E230 PolarHBondContact O-N 2.9Å; S228-E230 PolarHBondContact OG-N 3.29Å; S228-E230 PolarHBondContact OG-OE2 2.84Å; E230-C232 VanDerWaalsContact C-N 3.31Å; E230-C232 PolarHBondContact O-N 2.93Å; E230-Q233 PolarHBondContact O-N 2.8Å; E230-E234 WeakPolarHBondContact O-CB 3.31Å; E230-E234 WeakPolarHBondContact O-CG 3.45Å; E230-E234 PolarHBondContact O-N 2.7Å
231	I	89.9	Confident	81.8	Confident	77 Å²	77	79 Å²	79	40%	0.395	41%	0.412	S	S	.	.	H	α-helix	trans	-62.3	-42.4	179	-60.1	171.5	0	0	0	110.2	H226 S228 Q233 E234 S235	H226-I231 HydrophobicContact CB-CB 4.46Å; H226-I231 HydrophobicContact CB-CG2 4.05Å; H226-I231 VanDerWaalsContact ND1-CG2 3.29Å; H226-I231 WeakPolarHBondContact ND1-CG2 3.39Å; S228-I231 WeakPolarHBondContact OG-CG1 3.37Å; S228-I231 PolarHBondContact OG-N 2.81Å; I231-Q233 PolarHBondContact O-N 3Å; I231-E234 PolarHBondContact O-N 2.99Å; I231-S235 WeakPolarHBondContact O-CB 2.92Å; I231-S235 PolarHBondContact O-N 2.85Å
232	C	90.2	Very high	81.9	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-60.5	-43.4	178.3	-175.8	0	0	0	0	112.5	H226 S228 M229 E230 S235 M243 W244 C251	H226-C232 HydrophobicContact CB-CB 4.19Å; S228-C232 VanDerWaalsContact O-CB 3.29Å; S228-C232 WeakPolarHBondContact O-CB 3.35Å; S228-C232 PolarHBondContact O-N 2.91Å; M229-C232 WeakPolarHBondContact O-CB 3.28Å; M229-C232 PolarHBondContact O-N 3.14Å; E230-C232 VanDerWaalsContact C-N 3.31Å; E230-C232 PolarHBondContact O-N 2.93Å; C232-S235 PolarHBondContact O-OG 2.72Å; C232-M243 PolarHBondContact SG-O 3.06Å; C232-W244 HydrophobicContact CB-CB 4.44Å; C232-W244 HydrophobicContact CB-CE3 3.82Å; C232-W244 PolarHBondContact SG-N 3.19Å; C232-W244 VanDerWaalsContact SG-N 3.44Å; C232-C251 HydrophobicContact CB-CB 3.57Å; C232-C251 WeakPolarHBondContact CB-SG 3.25Å; C232-C251 VanDerWaalsContact SG-CA 3.56Å; C232-C251 WeakPolarHBondContact SG-CB 3.49Å; C232-C251 CovalentContact SG-SG 2.03Å; C232-C251 PolarHBondContact SG-SG 3.41Å
233	Q	84.8	Confident	82	Confident	124 Å²	124	77.1 Å²	77.1	58%	0.579	39%	0.393	S	S	*	.	H	α-helix	trans	-74.5	-33.4	-177.9	-73.3	-179.3	-28.1	0	0	113.2	M229 E230 I231 S235	M229-Q233 HydrophobicContact CG-CG 4.42Å; M229-Q233 WeakPolarHBondContact O-CB 3.3Å; M229-Q233 VanDerWaalsContact O-CG 3.3Å; M229-Q233 WeakPolarHBondContact O-CG 3.44Å; M229-Q233 PolarHBondContact O-N 2.81Å; E230-Q233 PolarHBondContact O-N 2.8Å; I231-Q233 PolarHBondContact O-N 3Å; Q233-S235 VanDerWaalsContact C-N 3.31Å
234	E	82.1	Confident	82.1	Confident	159 Å²	159	79 Å²	79	74%	0.743	40%	0.4	S	S	*	.	H	α-helix	trans	-77.2	-20.7	176.6	-69.2	177.9	-178.6	0	0	112.5	E230 I231 K236	E230-E234 WeakPolarHBondContact O-CB 3.31Å; E230-E234 WeakPolarHBondContact O-CG 3.45Å; E230-E234 PolarHBondContact O-N 2.7Å; I231-E234 PolarHBondContact O-N 2.99Å; E234-K236 PolarHBondContact O-N 3.02Å
235	S	71.4	Confident	82.1	Confident	21 Å²	21	79.9 Å²	79.9	15%	0.147	40%	0.4	C	S	.	.			trans	-68.9	100.6	179.2	73	0	0	0	0	112	H226 I231 C232 Q233 C242	H226-S235 PolarHBondContact CD2-OG 3.14Å; H226-S235 VanDerWaalsContact NE2-CB 3.35Å; H226-S235 WeakPolarHBondContact NE2-CB 3.34Å; H226-S235 PolarHBondContact NE2-OG 3.06Å; I231-S235 WeakPolarHBondContact O-CB 2.92Å; I231-S235 PolarHBondContact O-N 2.85Å; C232-S235 PolarHBondContact O-OG 2.72Å; Q233-S235 VanDerWaalsContact C-N 3.31Å; S235-C242 PolarHBondContact OG-SG 3.25Å
236	K	62.2	Low	82.3	Confident	201 Å²	201	81.1 Å²	81.1	87%	0.874	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-98	94.2	158.4	-70.3	-177.5	-178.3	177.9	0	107.9	E234	E234-K236 PolarHBondContact O-N 3.02Å
237	T	59.6	Low	82.3	Confident	43 Å²	43	88.1 Å²	88.1	26%	0.264	44%	0.437	S	S	.	.			trans	-73.5	153.8	164.2	73.5	0	0	0	0	108.7	N239 T240	T237-N239 PolarHBondContact O-N 2.84Å; T237-N239 VanDerWaalsContact O-N 3.07Å; T237-T240 WeakPolarHBondContact OG1-CA 3.33Å; T237-T240 WeakPolarHBondContact OG1-CB 3.47Å; T237-T240 PolarHBondContact OG1-N 3.49Å; T237-T240 VanDerWaalsContact OG1-N 3.14Å; T237-T240 PolarHBondContact OG1-O 2.79Å
238	S	57.7	Low	82.2	Confident	116 Å²	116	82.8 Å²	82.8	81%	0.811	41%	0.412	S	S	*	.	S	Bend	trans	-60.7	-23.6	-172.8	62.8	0	0	0	0	113.8
239	N	66.1	Low	82.2	Confident	145 Å²	145	87.4 Å²	87.4	78%	0.775	43%	0.434	S	S	*	.	S	Bend	trans	-131.2	-6.1	-170.4	-59.6	3.4	0	0	0	114.5	T237	T237-N239 PolarHBondContact O-N 2.84Å; T237-N239 VanDerWaalsContact O-N 3.07Å
240	T	76.4	Confident	82.2	Confident	25 Å²	25	85 Å²	85	15%	0.153	42%	0.423	C	S	.	.			trans	-138.3	120.5	-173.8	-49	0	0	0	0	110.6	T237 V253	T237-T240 WeakPolarHBondContact OG1-CA 3.33Å; T237-T240 WeakPolarHBondContact OG1-CB 3.47Å; T237-T240 PolarHBondContact OG1-N 3.49Å; T237-T240 VanDerWaalsContact OG1-N 3.14Å; T237-T240 PolarHBondContact OG1-O 2.79Å; T240-V253 HydrophobicContact CG2-CB 4.3Å; T240-V253 HydrophobicContact CG2-CG1 3.68Å; T240-V253 HydrophobicContact CG2-CG2 3.88Å
241	K	85.2	Confident	82.3	Confident	115 Å²	115	79.5 Å²	79.5	50%	0.5	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-81.6	122.8	174.2	-172.4	-177.2	179	-164.2	0	108.9	S254 D256	K241-S254 VanDerWaalsContact O-CB 3.28Å; K241-S254 WeakPolarHBondContact O-CB 3.45Å; K241-S254 PolarHBondContact O-N 3.21Å; K241-D256 IonicContact NZ-OD2 2.75Å
242	C	89.3	Confident	82.4	Confident	14 Å²	14	75.9 Å²	75.9	10%	0.095	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	154.1	176.5	-53.6	0	0	0	0	111.1	C223 S235 I252	C223-C242 WeakPolarHBondContact CA-SG 3.39Å; C223-C242 HydrophobicContact CB-CB 3.78Å; C223-C242 WeakPolarHBondContact CB-SG 3.4Å; C223-C242 VanDerWaalsContact SG-CA 3.52Å; C223-C242 WeakPolarHBondContact SG-CB 3.39Å; C223-C242 CovalentContact SG-SG 2.04Å; C223-C242 PolarHBondContact SG-SG 3.36Å; S235-C242 PolarHBondContact OG-SG 3.25Å; C242-I252 CarbonylContact C-O 3.52Å; C242-I252 WeakPolarHBondContact CA-O 3.36Å
243	M	90.3	Very high	82.4	Confident	59 Å²	59	76.2 Å²	76.2	29%	0.291	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.2	171.2	68.8	178.4	-65.8	0	0	111.2	C232 I252	C232-M243 PolarHBondContact SG-O 3.06Å; M243-I252 HydrophobicContact CG-CD1 4.16Å; M243-I252 HydrophobicContact CG-CG1 3.61Å; M243-I252 PolarHBondContact N-O 3.07Å; M243-I252 WeakPolarHBondContact O-CG1 3.31Å; M243-I252 PolarHBondContact O-N 2.9Å; M243-I252 HydrophobicContact SD-CD1 4.36Å; M243-I252 HydrophobicContact SD-CG1 4.42Å
244	W	92.4	Very high	82.4	Confident	40 Å²	40	70.8 Å²	70.8	15%	0.152	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.8	176.6	-172.6	-107.9	0	0	0	110.7	D227 S228 M229 C232 N249 C251	D227-W244 WeakPolarHBondContact O-CH2 3.14Å; S228-W244 VanDerWaalsContact C-CZ3 3.49Å; M229-W244 HydrophobicContact CB-CB 4.42Å; M229-W244 HydrophobicContact CB-CD2 3.87Å; M229-W244 HydrophobicContact CB-CE3 4.49Å; M229-W244 HydrophobicContact CB-CG 3.8Å; M229-W244 HydrophobicContact CG-CB 3.98Å; M229-W244 HydrophobicContact CG-CD2 4.36Å; M229-W244 HydrophobicContact CG-CG 3.75Å; M229-W244 HydrophobicContact SD-CG 4.49Å; C232-W244 HydrophobicContact CB-CB 4.44Å; C232-W244 HydrophobicContact CB-CE3 3.82Å; C232-W244 PolarHBondContact SG-N 3.19Å; C232-W244 VanDerWaalsContact SG-N 3.44Å; W244-N249 HydrophobicContact CZ2-CB 4.32Å; W244-C251 HydrophobicContact CE3-CB 3.85Å; W244-C251 HydrophobicContact CZ3-CB 4.04Å
245	Y	90.9	Very high	81.9	Confident	50 Å²	50	64.7 Å²	64.7	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	99.2	174.8	-169.8	-106.5	0	0	0	110.9	V42 F43 K247 A248 N249 M250 I252	V42-Y245 HydrophobicContact CG1-CD1 3.53Å; V42-Y245 HydrophobicContact CG1-CE1 3.96Å; V42-Y245 HydrophobicContact CG1-CG 4.21Å; F43-Y245 HydrophobicContact CB-CE1 4.04Å; F43-Y245 VanDerWaalsContact CB-OH 3.31Å; F43-Y245 WeakPolarHBondContact CB-OH 3.24Å; F43-Y245 HydrophobicContact CD1-CE1 4.33Å; F43-Y245 HydrophobicContact CD1-CE2 4.2Å; Y245-K247 HydrophobicContact CD1-CB 4.27Å; Y245-K247 HydrophobicContact CE1-CB 3.63Å; Y245-K247 HydrophobicContact CE1-CG 4.47Å; Y245-K247 PolarHBondContact O-N 2.83Å; Y245-A248 HydrophobicContact CD1-CB 3.67Å; Y245-A248 HydrophobicContact CE1-CB 4.2Å; Y245-A248 PolarHBondContact O-N 2.9Å; Y245-N249 PolarHBondContact O-N 2.84Å; Y245-N249 VanDerWaalsContact O-N 3.13Å; Y245-M250 PolarHBondContact N-O 3.36Å; Y245-M250 PolarHBondContact O-N 2.91Å; Y245-I252 HydrophobicContact CG-CD1 4.4Å
246	E	90.5	Very high	81.5	Confident	134 Å²	134	68 Å²	68	63%	0.626	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-56.1	-43.5	-172.2	-65.8	-177.5	171.5	0	0	113.4	A248 N249	E246-A248 PolarHBondContact O-N 3.02Å; E246-A248 VanDerWaalsContact O-N 3.15Å; E246-N249 PolarHBondContact O-N 3.15Å; E246-N249 PolarHBondContact O-OD1 2.95Å; E246-N249 VanDerWaalsContact O-OD1 3.1Å
247	K	88.1	Confident	81.2	Confident	184 Å²	184	65.9 Å²	65.9	80%	0.8	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-62.9	-27.4	-175.6	-65.4	-174.1	-177.2	176.7	0	113.5	Y245	Y245-K247 HydrophobicContact CD1-CB 4.27Å; Y245-K247 HydrophobicContact CE1-CB 3.63Å; Y245-K247 HydrophobicContact CE1-CG 4.47Å; Y245-K247 PolarHBondContact O-N 2.83Å
248	A	87.2	Confident	80.3	Confident	23 Å²	23	69.3 Å²	69.3	19%	0.19	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-103.2	-0.8	177.2	0	0	0	0	0	113.2	V42 Y245 E246 M250	V42-A248 HydrophobicContact CG1-CB 3.73Å; Y245-A248 HydrophobicContact CD1-CB 3.67Å; Y245-A248 HydrophobicContact CE1-CB 4.2Å; Y245-A248 PolarHBondContact O-N 2.9Å; E246-A248 PolarHBondContact O-N 3.02Å; E246-A248 VanDerWaalsContact O-N 3.15Å; A248-M250 VanDerWaalsContact C-N 3.27Å; A248-M250 HydrophobicContact CB-CB 4.28Å; A248-M250 PolarHBondContact O-N 2.89Å
249	N	91.2	Very high	79.3	Confident	124 Å²	124	71.4 Å²	71.4	66%	0.663	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	54.5	-170.1	-67.9	-44.7	0	0	0	111.4	W244 Y245 E246	W244-N249 HydrophobicContact CZ2-CB 4.32Å; Y245-N249 PolarHBondContact O-N 2.84Å; Y245-N249 VanDerWaalsContact O-N 3.13Å; E246-N249 PolarHBondContact O-N 3.15Å; E246-N249 PolarHBondContact O-OD1 2.95Å; E246-N249 VanDerWaalsContact O-OD1 3.1Å
250	M	90.6	Very high	78	Confident	15 Å²	15	70.9 Å²	70.9	7%	0.074	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	140	-173.3	-172.5	165	66.2	0	0	111.6	K40 V42 Q52 Y245 A248 I252	K40-M250 HydrophobicContact CD-CE 4.31Å; K40-M250 HydrophobicContact CD-SD 4.01Å; V42-M250 HydrophobicContact CB-CE 4.12Å; V42-M250 HydrophobicContact CG1-CE 3.94Å; V42-M250 HydrophobicContact CG2-CE 3.09Å; Q52-M250 HydrophobicContact CB-CE 4.06Å; Y245-M250 PolarHBondContact N-O 3.36Å; Y245-M250 PolarHBondContact O-N 2.91Å; A248-M250 VanDerWaalsContact C-N 3.27Å; A248-M250 HydrophobicContact CB-CB 4.28Å; A248-M250 PolarHBondContact O-N 2.89Å; M250-I252 HydrophobicContact CE-CG2 3.83Å; M250-I252 HydrophobicContact CG-CG2 4.32Å
251	C	91.9	Very high	76.1	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.5	169.3	-172.2	0	0	0	0	110.1	C223 P224 H226 C232 W244	C223-C251 CarbonylContact C-O 3.55Å; C223-C251 WeakPolarHBondContact O-CB 3.38Å; C223-C251 PolarHBondContact O-SG 3.4Å; C223-C251 VanDerWaalsContact O-SG 3.33Å; P224-C251 WeakPolarHBondContact CA-O 3.22Å; H226-C251 HydrophobicContact CB-CB 3.87Å; H226-C251 WeakPolarHBondContact O-CB 3.34Å; C232-C251 HydrophobicContact CB-CB 3.57Å; C232-C251 WeakPolarHBondContact CB-SG 3.25Å; C232-C251 VanDerWaalsContact SG-CA 3.56Å; C232-C251 WeakPolarHBondContact SG-CB 3.49Å; C232-C251 CovalentContact SG-SG 2.03Å; C232-C251 PolarHBondContact SG-SG 3.41Å; W244-C251 HydrophobicContact CE3-CB 3.85Å; W244-C251 HydrophobicContact CZ3-CB 4.04Å
252	I	91.3	Very high	73.9	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.005	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	165.1	-176.6	61.2	170.4	0	0	0	110.9	V42 F43 Y50 C242 M243 Y245 M250 S254	V42-I252 HydrophobicContact CG1-CG2 4.15Å; F43-I252 HydrophobicContact CE1-CD1 4.34Å; Y50-I252 HydrophobicContact CE1-CB 4.16Å; Y50-I252 HydrophobicContact CE1-CG2 3.85Å; Y50-I252 HydrophobicContact CE2-CB 4.34Å; Y50-I252 HydrophobicContact CE2-CD1 4.39Å; C242-I252 CarbonylContact C-O 3.52Å; C242-I252 WeakPolarHBondContact CA-O 3.36Å; M243-I252 HydrophobicContact CG-CD1 4.16Å; M243-I252 HydrophobicContact CG-CG1 3.61Å; M243-I252 PolarHBondContact N-O 3.07Å; M243-I252 WeakPolarHBondContact O-CG1 3.31Å; M243-I252 PolarHBondContact O-N 2.9Å; M243-I252 HydrophobicContact SD-CD1 4.36Å; M243-I252 HydrophobicContact SD-CG1 4.42Å; Y245-I252 HydrophobicContact CG-CD1 4.4Å; M250-I252 HydrophobicContact CE-CG2 3.83Å; M250-I252 HydrophobicContact CG-CG2 4.32Å; I252-S254 PolarHBondContact O-N 3.29Å
253	V	90.1	Very high	71.5	Confident	7 Å²	7	87.7 Å²	87.7	4%	0.042	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134	167.3	-177.2	0	0	0	0	108.4	Y50 T240 T255	Y50-V253 PolarHBondContact OH-N 3.44Å; T240-V253 HydrophobicContact CG2-CB 4.3Å; T240-V253 HydrophobicContact CG2-CG1 3.68Å; T240-V253 HydrophobicContact CG2-CG2 3.88Å; V253-T255 PolarHBondContact O-N 2.87Å
254	S	85.2	Confident	69.2	Low	11 Å²	11	86.3 Å²	86.3	8%	0.077	42%	0.422	C	S	.	.			trans	-59	124.7	176.2	-173.9	0	0	0	0	109.9	K241 I252 D256	K241-S254 VanDerWaalsContact O-CB 3.28Å; K241-S254 WeakPolarHBondContact O-CB 3.45Å; K241-S254 PolarHBondContact O-N 3.21Å; I252-S254 PolarHBondContact O-N 3.29Å; S254-D256 VanDerWaalsContact C-N 3.33Å; S254-D256 PolarHBondContact OG-OD2 3.13Å
255	T	72.9	Confident	66.6	Low	31 Å²	31	88.9 Å²	88.9	19%	0.19	44%	0.439	C	S	.	.			trans	-93	0.1	176	62	0	0	0	0	112.7	Y50 I59 R61 V253 K257	Y50-T255 HydrophobicContact CD2-CG2 3.72Å; Y50-T255 HydrophobicContact CE2-CG2 4Å; I59-T255 HydrophobicContact CD1-CG2 3.98Å; I59-T255 HydrophobicContact CG1-CG2 4.47Å; R61-T255 PolarHBondContact NH2-O 2.93Å; V253-T255 PolarHBondContact O-N 2.87Å; T255-K257 PolarHBondContact O-N 2.67Å
256	D	63.3	Low	64.4	Low	91 Å²	91	90 Å²	90	49%	0.487	46%	0.455	S	S	.	.	S	Bend	trans	-48.3	129.7	172.8	-75.1	-24.4	0	0	0	106.2	K241 S254 D258	K241-D256 IonicContact NZ-OD2 2.75Å; S254-D256 VanDerWaalsContact C-N 3.33Å; S254-D256 PolarHBondContact OG-OD2 3.13Å; D256-D258 PolarHBondContact O-N 3.15Å
257	K	54	Low	62.4	Low	156 Å²	156	84.6 Å²	84.6	68%	0.678	43%	0.431	S	S	*	.			trans	-56.4	104.9	168.6	-66.3	-179.1	-179.1	179.6	0	103.4	T255 I259	T255-K257 PolarHBondContact O-N 2.67Å; K257-I259 PolarHBondContact O-N 2.86Å
258	D	41.5	Very low	60.2	Low	115 Å²	115	83.7 Å²	83.7	62%	0.615	43%	0.43	S	S	*	.			trans	-55.7	104.4	164.5	-80.8	-33.7	0	0	0	104	D256 D260	D256-D258 PolarHBondContact O-N 3.15Å; D258-D260 PolarHBondContact O-N 3.33Å
259	I	37.1	Very low	57.8	Low	159 Å²	159	86.1 Å²	86.1	82%	0.815	44%	0.439	S	S	*	.			trans	-66.2	-7.8	173.6	-75.9	168.8	0	0	0	108.6	K257 D261	K257-I259 PolarHBondContact O-N 2.86Å; I259-D261 PolarHBondContact O-N 2.75Å
260	D	38.2	Very low	54.8	Low	135 Å²	135	83.5 Å²	83.5	72%	0.722	44%	0.441	S	S	*	.	S	Bend	trans	-85.5	94	171.9	-67.8	-23.7	0	0	0	111.4	D258 F262	D258-D260 PolarHBondContact O-N 3.33Å; D260-F262 PolarHBondContact O-N 2.88Å
261	D	38.1	Very low	51.8	Low	149 Å²	149	90.1 Å²	90.1	80%	0.797	48%	0.477	S	S	*	.	S	Bend	trans	78.5	9.9	131.4	-114.2	14.2	0	0	0	122.8	I259	I259-D261 PolarHBondContact O-N 2.75Å
262	F	37.7	Very low	48.7	Very low	180 Å²	180	95.3 Å²	95.3	79%	0.789	51%	0.513	S	S	*	.			trans	-131.7	56.2	165.9	-70.1	-86.6	0	0	0	113.2	D260 V264	D260-F262 PolarHBondContact O-N 2.88Å; F262-V264 VanDerWaalsContact C-N 3.3Å; F262-V264 PolarHBondContact O-N 3.15Å
263	K	38.1	Very low	45.8	Very low	177 Å²	177	100.1 Å²	100.1	77%	0.77	55%	0.546	S	S	*	.			trans	-56	112	137.4	-90.4	-177	176.5	177	0	104.6	N265	K263-N265 PolarHBondContact O-N 3.2Å
264	V	42.7	Very low	42.9	Very low	30 Å²	30	107.6 Å²	107.6	18%	0.182	59%	0.586	C	S	.	*	S	Bend	trans	-68.1	68.3	174.3	-174.8	0	0	0	0	107.8	P67 L137 F262 S266	P67-V264 WeakPolarHBondContact O-CB 3.32Å; L137-V264 HydrophobicContact CD2-CG1 4.17Å; F262-V264 VanDerWaalsContact C-N 3.3Å; F262-V264 PolarHBondContact O-N 3.15Å; V264-S266 VanDerWaalsContact C-N 3.29Å
265	N	38.2	Very low	40.4	Very low	95 Å²	95	113.1 Å²	113.1	51%	0.508	62%	0.619	S	S	.	*			trans	-92.9	5.8	172.2	-83.8	5.9	0	0	0	110.7	K263	K263-N265 PolarHBondContact O-N 3.2Å
266	S	44.1	Very low	38.3	Very low	74 Å²	74	118.9 Å²	118.9	52%	0.517	64%	0.643	S	S	.	*			trans	-134.1	80.5	-164.4	-51.4	0	0	0	0	109.9	V264 Q268	V264-S266 VanDerWaalsContact C-N 3.29Å; S266-Q268 PolarHBondContact O-N 2.92Å
267	C	49.6	Very low	36.6	Very low	19 Å²	19	120.3 Å²	120.3	13%	0.128	66%	0.655	C	S	.	*	S	Bend	trans	-74.6	11	153.9	-45.6	0	0	0	0	110.8	V69 C71	V69-C267 PolarHBondContact O-SG 3.07Å; C71-C267 WeakPolarHBondContact CA-SG 3.29Å; C71-C267 HydrophobicContact CB-CB 3.97Å; C71-C267 WeakPolarHBondContact CB-SG 3.47Å; C71-C267 PolarHBondContact N-SG 2.89Å; C71-C267 WeakPolarHBondContact SG-CB 3.42Å; C71-C267 CovalentContact SG-SG 2.04Å; C71-C267 PolarHBondContact SG-SG 2.84Å
268	Q	41.5	Very low	35.4	Very low	166 Å²	166	117 Å²	117	78%	0.776	65%	0.652	S	S	*	*	S	Bend	trans	-113.9	127.8	172	-64.6	-166.7	-6.6	0	0	110.8	S266 G270	S266-Q268 PolarHBondContact O-N 2.92Å; Q268-G270 PolarHBondContact O-N 2.85Å
269	I	36.1	Very low	34.7	Very low	74 Å²	74	118.7 Å²	118.7	38%	0.379	66%	0.659	S	S	.	*			trans	-70.8	103.7	169.9	-61.2	127.9	0	0	0	107.8	E135	E135-I269 HydrophobicContact CB-CD1 3.84Å; E135-I269 HydrophobicContact CB-CG1 3.99Å; E135-I269 HydrophobicContact CG-CD1 3.64Å; E135-I269 HydrophobicContact CG-CG1 4.29Å; E135-I269 WeakPolarHBondContact OE2-CD1 3.37Å; E135-I269 VanDerWaalsContact OE2-CG1 3.28Å; E135-I269 WeakPolarHBondContact OE2-CG1 3.47Å
270	G	28.9	Very low	34.3	Very low	68 Å²	68	116.9 Å²	116.9	70%	0.701	66%	0.656	S	S	*	*			trans	-82.1	112.6	154.1	0	0	0	0	0	107.5	Q268 S272	Q268-G270 PolarHBondContact O-N 2.85Å; G270-S272 PolarHBondContact O-N 2.92Å
271	N	26.8	Very low	33.9	Very low	155 Å²	155	115.5 Å²	115.5	83%	0.829	65%	0.654	S	S	*	*			trans	-42.8	99.9	178.6	-80.1	-16.1	0	0	0	112.3	S273	N271-S273 PolarHBondContact O-N 2.92Å
272	S	28.1	Very low	33.5	Very low	109 Å²	109	115.9 Å²	115.9	76%	0.762	66%	0.655	S	S	*	*			trans	-80.9	105.8	169	170.7	0	0	0	0	108.2	G270 N274	G270-S272 PolarHBondContact O-N 2.92Å; S272-N274 PolarHBondContact O-N 2.83Å
273	S	30.2	Very low	33.1	Very low	101 Å²	101	113.7 Å²	113.7	71%	0.706	66%	0.656	S	S	*	*			trans	-62.1	123.4	174.3	50.9	0	0	0	0	111.2	N271 V275	N271-S273 PolarHBondContact O-N 2.92Å; S273-V275 PolarHBondContact O-N 2.86Å
274	N	29.5	Very low	32.8	Very low	165 Å²	165	111.1 Å²	111.1	88%	0.882	66%	0.655	S	S	*	*			trans	-3.3	90.8	159.9	-64.9	-24.4	0	0	0	115.8	S272 H276	S272-N274 PolarHBondContact O-N 2.83Å; N274-H276 PolarHBondContact O-N 2.66Å; N274-H276 VanDerWaalsContact O-N 3.14Å
275	V	31.6	Very low	32.1	Very low	127 Å²	127	118.8 Å²	118.8	77%	0.77	69%	0.688	S	S	*	*			trans	-80.3	95.5	163	180	0	0	0	0	107.4	S273 V277	S273-V275 PolarHBondContact O-N 2.86Å; V275-V277 PolarHBondContact O-N 2.89Å
276	H	29.3	Very low	31.8	Very low	151 Å²	151	122.7 Å²	122.7	70%	0.699	70%	0.704	S	S	*	*			trans	-61.1	110.7	172	179.9	-85	0	0	0	109.7	N274 S278	N274-H276 PolarHBondContact O-N 2.66Å; N274-H276 VanDerWaalsContact O-N 3.14Å; H276-S278 PolarHBondContact ND1-OG 2.76Å; H276-S278 PolarHBondContact O-N 2.96Å
277	V	28.2	Very low	31.2	Very low	121 Å²	121	123.4 Å²	123.4	73%	0.733	71%	0.714	S	S	*	*			trans	-68.9	92.1	173	-180	0	0	0	0	108.5	V275 I279	V275-V277 PolarHBondContact O-N 2.89Å; V277-I279 HydrophobicContact CG1-CG1 4.35Å; V277-I279 PolarHBondContact O-N 2.89Å
278	S	28.6	Very low	30.2	Very low	86 Å²	86	128.7 Å²	128.7	60%	0.601	75%	0.746	S	S	*	*			trans	-76.1	109.5	166.5	-88.3	0	0	0	0	109.3	H276 T280	H276-S278 PolarHBondContact ND1-OG 2.76Å; H276-S278 PolarHBondContact O-N 2.96Å; S278-T280 PolarHBondContact O-N 2.82Å
279	I	27.2	Very low	29.5	Very low	152 Å²	152	126.8 Å²	126.8	78%	0.779	75%	0.746	S	S	*	*			trans	-76.2	98.6	171.7	-57.9	170.3	0	0	0	107.3	V277	V277-I279 HydrophobicContact CG1-CG1 4.35Å; V277-I279 PolarHBondContact O-N 2.89Å
280	T	28.3	Very low	29.2	Very low	120 Å²	120	129 Å²	129	74%	0.736	76%	0.763	S	S	*	*			trans	-89	123	170.4	-38.8	0	0	0	0	108.9	S278	S278-T280 PolarHBondContact O-N 2.82Å
281	P	29.7	Very low	29.3	Very low	107 Å²	107	131.4 Å²	131.4	70%	0.695	77%	0.766	S	S	*	*			trans	-71.5	134.2	-177.8	-9.8	24.5	0	0	0	111.5	V283	P281-V283 PolarHBondContact O-N 2.87Å
282	I	28.9	Very low	29.4	Very low	157 Å²	157	135.6 Å²	135.6	81%	0.805	77%	0.77	S	S	*	*			trans	-68	114.9	175	-62.1	169	0	0	0	108.5	V284	I282-V284 PolarHBondContact O-N 2.89Å
283	V	29.2	Very low	29.5	Very low	134 Å²	134	137.8 Å²	137.8	81%	0.812	77%	0.772	S	S	*	*			trans	-78.1	112.4	169.7	176.6	0	0	0	0	107.4	P281 E285	P281-V283 PolarHBondContact O-N 2.87Å; V283-E285 PolarHBondContact O-N 2.93Å
284	V	31.3	Very low	29.5	Very low	123 Å²	123	138.1 Å²	138.1	75%	0.745	77%	0.774	S	S	*	*			trans	-78.6	113	172.3	177.7	0	0	0	0	107.6	I282 E286	I282-V284 PolarHBondContact O-N 2.89Å; V284-E286 PolarHBondContact O-N 3.2Å
285	E	28.6	Very low	29.5	Very low	190 Å²	190	139.5 Å²	139.5	89%	0.888	78%	0.775	S	S	*	*			trans	-79.2	108.8	174.8	-163.7	174.7	-170.7	0	0	108.8	V283 A287	V283-E285 PolarHBondContact O-N 2.93Å; E285-A287 PolarHBondContact O-N 3.42Å
286	E	32.3	Very low	29.6	Very low	177 Å²	177	138.6 Å²	138.6	83%	0.827	78%	0.775	S	S	*	*			trans	-87.3	109.4	-176.4	-141.8	174.8	-168.1	0	0	109.8	V284 T288	V284-E286 PolarHBondContact O-N 3.2Å; E286-T288 PolarHBondContact O-N 2.87Å; E286-T288 VanDerWaalsContact O-N 3.15Å
287	A	31.7	Very low	29.5	Very low	90 Å²	90	137.8 Å²	137.8	74%	0.744	78%	0.776	S	S	*	*			trans	-64.4	111.5	179.3	0	0	0	0	0	111.1	E285 T289	E285-A287 PolarHBondContact O-N 3.42Å; A287-T289 PolarHBondContact O-N 2.97Å
288	T	27.7	Very low	29.6	Very low	129 Å²	129	139.1 Å²	139.1	79%	0.791	78%	0.779	S	S	*	*			trans	-70	106.7	178.3	-54.2	0	0	0	0	110	E286	E286-T288 PolarHBondContact O-N 2.87Å; E286-T288 VanDerWaalsContact O-N 3.15Å
289	T	28.2	Very low	29.7	Very low	127 Å²	127	138.6 Å²	138.6	78%	0.779	79%	0.787	S	S	*	*			trans	-107	105	170	-43.9	0	0	0	0	108.8	A287 P291	A287-T289 PolarHBondContact O-N 2.97Å; T289-P291 VanDerWaalsContact O-CD 3.22Å; T289-P291 WeakPolarHBondContact O-CD 3.48Å
290	T	28.5	Very low	30	Very low	121 Å²	121	140.7 Å²	140.7	74%	0.742	79%	0.793	S	S	*	*			trans	-72.6	116.9	-177.4	-48.8	0	0	0	0	112.1
291	P	32.1	Very low	30.6	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	80%	0.796	S	S	*	*			trans	-98.1	118.6	166.1	6.5	16.1	0	0	0	109.2	T289 I293	T289-P291 VanDerWaalsContact O-CD 3.22Å; T289-P291 WeakPolarHBondContact O-CD 3.48Å; P291-I293 PolarHBondContact O-N 3.3Å
292	R	27.7	Very low	31.2	Very low	242 Å²	242	143.2 Å²	143.2	91%	0.913	81%	0.805	S	S	*	*			trans	-87.8	98.6	176.9	-171.9	-173.7	-161.6	164.4	4.1	108.8
293	I	31.2	Very low	32.5	Very low	155 Å²	155	140 Å²	140	80%	0.795	80%	0.797	S	S	*	*			trans	-137.9	119.1	158.4	-58	-177.2	0	0	0	109	P291	P291-I293 PolarHBondContact O-N 3.3Å
294	S	29	Very low	33.7	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	79%	0.788	S	S	*	*			trans	-54.2	130.6	167.6	42.5	0	0	0	0	112.6
295	E	29.4	Very low	34.9	Very low	194 Å²	194	140.3 Å²	140.3	91%	0.907	78%	0.784	S	S	*	*			trans	-151.8	147.7	150.8	-121.5	171.1	-161.6	0	0	112.5
296	S	33.7	Very low	36.7	Very low	108 Å²	108	138.7 Å²	138.7	76%	0.755	78%	0.775	S	S	*	*			trans	-70.4	131.9	-164.6	48.4	0	0	0	0	114.7
297	D	27.9	Very low	38.3	Very low	134 Å²	134	135 Å²	135	72%	0.717	76%	0.76	S	S	*	*			trans	27.6	133.7	130.5	-144.9	12.9	0	0	0	122.1
298	N	30.3	Very low	40.4	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	75%	0.754	S	S	*	*			trans	77.6	112.2	155.4	-73.1	-40.3	0	0	0	121.7
299	G	29.9	Very low	42.8	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	74%	0.739	S	S	*	*			trans	153.1	68.1	143.1	0	0	0	0	0	119.8
300	H	33.3	Very low	45.2	Very low	196 Å²	196	132 Å²	132	91%	0.907	72%	0.718	S	S	*	*			trans	68.4	94.5	135.5	-147.1	70	0	0	0	120.5	K302	H300-K302 PolarHBondContact O-N 2.9Å
301	G	42.3	Very low	47.7	Very low	78 Å²	78	130.1 Å²	130.1	80%	0.804	70%	0.703	S	S	*	*				82.5	22.3	117.3	0	0	0	0	0	121.4
302	K	42.8	Very low	50.2	Low	203 Å²	203	127.5 Å²	127.5	88%	0.883	69%	0.686	S	S	*	*			trans	-126.9	56.3	171.4	-75	-177.7	178.7	172.6	0	113.1	H300	H300-K302 PolarHBondContact O-N 2.9Å
303	S	54.5	Low	52.9	Low	90 Å²	90	120.5 Å²	120.5	63%	0.629	67%	0.67	S	S	*	*			trans	-111.5	-31.1	-168.8	-175	0	0	0	0	116.8
304	N	55.5	Low	55.4	Low	116 Å²	116	116.5 Å²	116.5	62%	0.62	65%	0.653	S	S	*	*	H	α-helix	trans	-90.6	-33.2	-172.2	-70.1	-2.1	0	0	0	115	F306 L307 H308	N304-F306 VanDerWaalsContact C-N 3.35Å; N304-F306 PolarHBondContact O-N 3.03Å; N304-L307 PolarHBondContact O-N 2.85Å; N304-H308 PolarHBondContact O-CD2 2.74Å; N304-H308 PolarHBondContact O-N 3.22Å
305	H	56.6	Low	58	Low	147 Å²	147	115.8 Å²	115.8	68%	0.681	64%	0.639	S	S	*	*	H	α-helix	trans	-72.1	-28.6	-174.9	-154	-77.5	0	0	0	113.3	I309	H305-I309 WeakPolarHBondContact ND1-CD1 3.49Å; H305-I309 WeakPolarHBondContact O-CG1 3.41Å; H305-I309 PolarHBondContact O-N 3.14Å
306	F	65.3	Low	60.6	Low	155 Å²	155	110.3 Å²	110.3	68%	0.68	62%	0.622	S	S	*	*	H	α-helix	trans	-70.6	-41.9	175.4	-170.6	-103.5	0	0	0	110.9	N304 H308 I309 V310	N304-F306 VanDerWaalsContact C-N 3.35Å; N304-F306 PolarHBondContact O-N 3.03Å; F306-H308 VanDerWaalsContact C-N 3.34Å; F306-H308 PolarHBondContact O-N 3.31Å; F306-I309 PolarHBondContact O-N 3.12Å; F306-V310 HydrophobicContact CD1-CG2 3.85Å; F306-V310 HydrophobicContact CD2-CG2 4.15Å; F306-V310 HydrophobicContact CE1-CG2 3.57Å; F306-V310 HydrophobicContact CE2-CG2 3.88Å; F306-V310 HydrophobicContact CG-CG2 4.15Å; F306-V310 HydrophobicContact CZ-CG2 3.58Å; F306-V310 WeakPolarHBondContact O-CB 2.92Å; F306-V310 VanDerWaalsContact O-CG2 3.3Å; F306-V310 WeakPolarHBondContact O-CG2 3.43Å; F306-V310 PolarHBondContact O-N 3.18Å
307	L	67.5	Low	63.1	Low	99 Å²	99	111.9 Å²	111.9	52%	0.518	62%	0.615	S	S	.	*	H	α-helix	trans	-61	-42.9	178.4	-145.8	91.5	0	0	0	111.6	N304 I309 I311	N304-L307 PolarHBondContact O-N 2.85Å; L307-I309 VanDerWaalsContact C-N 3.29Å; L307-I309 PolarHBondContact O-N 3.06Å; L307-I311 HydrophobicContact CD2-CD1 3.74Å; L307-I311 HydrophobicContact CG-CD1 3.69Å; L307-I311 HydrophobicContact CG-CG1 4.38Å; L307-I311 WeakPolarHBondContact O-CB 3.39Å; L307-I311 VanDerWaalsContact O-CG1 3.26Å; L307-I311 WeakPolarHBondContact O-CG1 3.45Å; L307-I311 PolarHBondContact O-N 2.9Å; L307-I311 VanDerWaalsContact O-N 3.08Å
308	H	74	Confident	65.9	Low	135 Å²	135	110.7 Å²	110.7	63%	0.625	61%	0.608	S	S	*	*	H	α-helix	trans	-68.5	-20.7	179.1	-71.8	-56.3	0	0	0	114.8	N304 F306 P312	N304-H308 PolarHBondContact O-CD2 2.74Å; N304-H308 PolarHBondContact O-N 3.22Å; F306-H308 VanDerWaalsContact C-N 3.34Å; F306-H308 PolarHBondContact O-N 3.31Å; H308-P312 WeakPolarHBondContact O-CD 3.48Å; H308-P312 WeakPolarHBondContact O-CG 3.29Å
309	I	78.6	Confident	68.5	Low	93 Å²	93	108 Å²	108	48%	0.477	60%	0.597	S	S	.	*	H	α-helix	trans	-93.1	-42.7	175.8	-65.5	172.9	0	0	0	110.6	H305 F306 L307 P312 V313	H305-I309 WeakPolarHBondContact ND1-CD1 3.49Å; H305-I309 WeakPolarHBondContact O-CG1 3.41Å; H305-I309 PolarHBondContact O-N 3.14Å; F306-I309 PolarHBondContact O-N 3.12Å; L307-I309 VanDerWaalsContact C-N 3.29Å; L307-I309 PolarHBondContact O-N 3.06Å; I309-P312 WeakPolarHBondContact O-CD 3.3Å; I309-V313 HydrophobicContact CG2-CG2 4.49Å; I309-V313 VanDerWaalsContact O-CG2 3.23Å; I309-V313 WeakPolarHBondContact O-CG2 3.44Å; I309-V313 PolarHBondContact O-N 2.89Å
310	V	79.5	Confident	71.1	Confident	55 Å²	55	108.9 Å²	108.9	33%	0.333	59%	0.587	S	S	.	*	H	α-helix	trans	-69.1	-40.7	-175.8	174.8	0	0	0	0	111.5	F306 V313 V314	F306-V310 HydrophobicContact CD1-CG2 3.85Å; F306-V310 HydrophobicContact CD2-CG2 4.15Å; F306-V310 HydrophobicContact CE1-CG2 3.57Å; F306-V310 HydrophobicContact CE2-CG2 3.88Å; F306-V310 HydrophobicContact CG-CG2 4.15Å; F306-V310 HydrophobicContact CZ-CG2 3.58Å; F306-V310 WeakPolarHBondContact O-CB 2.92Å; F306-V310 VanDerWaalsContact O-CG2 3.3Å; F306-V310 WeakPolarHBondContact O-CG2 3.43Å; F306-V310 PolarHBondContact O-N 3.18Å; V310-V313 PolarHBondContact O-N 3.2Å; V310-V314 HydrophobicContact CG1-CG2 4.02Å; V310-V314 VanDerWaalsContact O-CG2 3.3Å; V310-V314 WeakPolarHBondContact O-CG2 3.47Å; V310-V314 PolarHBondContact O-N 3.28Å
311	I	81.4	Confident	73.5	Confident	82 Å²	82	101.8 Å²	101.8	42%	0.421	56%	0.559	S	S	.	*	H	α-helix	trans	-59.8	-52.8	-179.3	-69	170.1	0	0	0	111.6	L307 V313 V314 I315	L307-I311 HydrophobicContact CD2-CD1 3.74Å; L307-I311 HydrophobicContact CG-CD1 3.69Å; L307-I311 HydrophobicContact CG-CG1 4.38Å; L307-I311 WeakPolarHBondContact O-CB 3.39Å; L307-I311 VanDerWaalsContact O-CG1 3.26Å; L307-I311 WeakPolarHBondContact O-CG1 3.45Å; L307-I311 PolarHBondContact O-N 2.9Å; L307-I311 VanDerWaalsContact O-N 3.08Å; I311-V313 VanDerWaalsContact C-N 3.32Å; I311-V313 PolarHBondContact O-N 3.29Å; I311-V314 PolarHBondContact O-N 2.86Å; I311-I315 HydrophobicContact CG2-CD1 3.62Å; I311-I315 HydrophobicContact CG2-CG1 4.36Å; I311-I315 VanDerWaalsContact O-CG1 3.29Å; I311-I315 WeakPolarHBondContact O-CG1 3.25Å; I311-I315 PolarHBondContact O-N 2.85Å
312	P	83	Confident	75.3	Confident	64 Å²	64	101 Å²	101	42%	0.416	54%	0.541	S	S	.	.	H	α-helix	trans	-59.5	-39.2	176.5	-26.7	35.6	0	0	0	113.5	H308 I309 I315 C316	H308-P312 WeakPolarHBondContact O-CD 3.48Å; H308-P312 WeakPolarHBondContact O-CG 3.29Å; I309-P312 WeakPolarHBondContact O-CD 3.3Å; P312-I315 PolarHBondContact O-N 2.98Å; P312-C316 WeakPolarHBondContact O-CB 3.31Å; P312-C316 PolarHBondContact O-N 2.55Å; P312-C316 PolarHBondContact O-SG 3.25Å
313	V	84.4	Confident	77.3	Confident	94 Å²	94	92.7 Å²	92.7	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-64.3	-43.5	179	171.6	0	0	0	0	111.2	I309 V310 I311 C316 F317	I309-V313 HydrophobicContact CG2-CG2 4.49Å; I309-V313 VanDerWaalsContact O-CG2 3.23Å; I309-V313 WeakPolarHBondContact O-CG2 3.44Å; I309-V313 PolarHBondContact O-N 2.89Å; V310-V313 PolarHBondContact O-N 3.2Å; I311-V313 VanDerWaalsContact C-N 3.32Å; I311-V313 PolarHBondContact O-N 3.29Å; V313-C316 PolarHBondContact O-N 2.04Å; V313-F317 WeakPolarHBondContact O-CB 3.37Å; V313-F317 PolarHBondContact O-N 2.83Å
314	V	84.2	Confident	78.6	Confident	72 Å²	72	91.8 Å²	91.8	44%	0.436	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-43.1	176.4	173.4	0	0	0	0	110.8	V310 I311 F317 L318	V310-V314 HydrophobicContact CG1-CG2 4.02Å; V310-V314 VanDerWaalsContact O-CG2 3.3Å; V310-V314 WeakPolarHBondContact O-CG2 3.47Å; V310-V314 PolarHBondContact O-N 3.28Å; I311-V314 PolarHBondContact O-N 2.86Å; V314-F317 PolarHBondContact O-N 2.89Å; V314-L318 HydrophobicContact CG1-CD1 4.15Å; V314-L318 HydrophobicContact CG1-CG 4.44Å; V314-L318 WeakPolarHBondContact O-CG 3.44Å; V314-L318 PolarHBondContact O-N 3.02Å
315	I	84.7	Confident	79.7	Confident	93 Å²	93	90.1 Å²	90.1	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-47.2	176.3	-67.9	169.2	0	0	0	110.7	I311 P312 F317 L318 V319	I311-I315 HydrophobicContact CG2-CD1 3.62Å; I311-I315 HydrophobicContact CG2-CG1 4.36Å; I311-I315 VanDerWaalsContact O-CG1 3.29Å; I311-I315 WeakPolarHBondContact O-CG1 3.25Å; I311-I315 PolarHBondContact O-N 2.85Å; P312-I315 PolarHBondContact O-N 2.98Å; I315-F317 VanDerWaalsContact C-N 3.29Å; I315-F317 PolarHBondContact O-N 2.65Å; I315-L318 PolarHBondContact O-N 3.34Å; I315-V319 HydrophobicContact CG2-CG2 4.38Å; I315-V319 VanDerWaalsContact O-CG2 3.3Å; I315-V319 WeakPolarHBondContact O-CG2 3.4Å; I315-V319 PolarHBondContact O-N 3.22Å
316	C	83.9	Confident	80.8	Confident	79 Å²	79	87.6 Å²	87.6	53%	0.534	49%	0.49	S	S	.	.	H	α-helix	trans	-58.9	-41.5	176	-73.9	0	0	0	0	111.8	P312 V313 V319 V320	P312-C316 WeakPolarHBondContact O-CB 3.31Å; P312-C316 PolarHBondContact O-N 2.55Å; P312-C316 PolarHBondContact O-SG 3.25Å; V313-C316 PolarHBondContact O-N 2.04Å; C316-V319 PolarHBondContact O-N 3.3Å; C316-V320 VanDerWaalsContact O-CG2 3.29Å; C316-V320 WeakPolarHBondContact O-CG2 3.36Å; C316-V320 PolarHBondContact O-N 3.25Å
317	F	85.3	Confident	81.4	Confident	141 Å²	141	84.1 Å²	84.1	62%	0.618	49%	0.485	S	S	*	.	H	α-helix	trans	-64.2	-43.5	176.9	-173.9	-97.7	0	0	0	112	V313 V314 I315 V319 V320 C321	V313-F317 WeakPolarHBondContact O-CB 3.37Å; V313-F317 PolarHBondContact O-N 2.83Å; V314-F317 PolarHBondContact O-N 2.89Å; I315-F317 VanDerWaalsContact C-N 3.29Å; I315-F317 PolarHBondContact O-N 2.65Å; F317-V319 VanDerWaalsContact C-N 3.35Å; F317-V319 PolarHBondContact O-N 3.29Å; F317-V320 PolarHBondContact O-N 3.26Å; F317-C321 WeakPolarHBondContact CE1-SG 3.38Å; F317-C321 VanDerWaalsContact CZ-SG 3.58Å; F317-C321 VanDerWaalsContact O-CB 3.29Å; F317-C321 WeakPolarHBondContact O-CB 3.44Å; F317-C321 PolarHBondContact O-N 2.76Å; F317-C321 PolarHBondContact O-SG 3.09Å
318	L	86	Confident	82	Confident	108 Å²	108	82.4 Å²	82.4	57%	0.565	48%	0.475	S	S	*	.	H	α-helix	trans	-63.3	-39.6	176.3	-69.8	174.4	0	0	0	112.1	V314 I315 C321 S322	V314-L318 HydrophobicContact CG1-CD1 4.15Å; V314-L318 HydrophobicContact CG1-CG 4.44Å; V314-L318 WeakPolarHBondContact O-CG 3.44Å; V314-L318 PolarHBondContact O-N 3.02Å; I315-L318 PolarHBondContact O-N 3.34Å; L318-C321 PolarHBondContact O-N 2.93Å; L318-S322 WeakPolarHBondContact O-CB 3.16Å; L318-S322 PolarHBondContact O-N 2.81Å; L318-S322 PolarHBondContact O-OG 3.45Å
319	V	86.1	Confident	82	Confident	93 Å²	93	80.3 Å²	80.3	56%	0.564	47%	0.468	S	S	*	.	H	α-helix	trans	-66.5	-42.4	176.6	172.1	0	0	0	0	111.6	I315 C316 F317 S322 G323	I315-V319 HydrophobicContact CG2-CG2 4.38Å; I315-V319 VanDerWaalsContact O-CG2 3.3Å; I315-V319 WeakPolarHBondContact O-CG2 3.4Å; I315-V319 PolarHBondContact O-N 3.22Å; C316-V319 PolarHBondContact O-N 3.3Å; F317-V319 VanDerWaalsContact C-N 3.35Å; F317-V319 PolarHBondContact O-N 3.29Å; V319-S322 PolarHBondContact O-OG 3.23Å; V319-G323 PolarHBondContact O-N 2.73Å
320	V	84.8	Confident	81.8	Confident	94 Å²	94	81.1 Å²	81.1	57%	0.57	47%	0.473	S	S	*	.	H	α-helix	trans	-66.8	-41.8	176.2	172.5	0	0	0	0	110.5	C316 F317 G323 C324	C316-V320 VanDerWaalsContact O-CG2 3.29Å; C316-V320 WeakPolarHBondContact O-CG2 3.36Å; C316-V320 PolarHBondContact O-N 3.25Å; F317-V320 PolarHBondContact O-N 3.26Å; V320-G323 PolarHBondContact O-N 2.73Å; V320-C324 WeakPolarHBondContact O-CB 3.09Å; V320-C324 PolarHBondContact O-N 3.19Å; V320-C324 PolarHBondContact O-SG 3.06Å; V320-C324 VanDerWaalsContact O-SG 3.35Å
321	C	82.7	Confident	81.6	Confident	47 Å²	47	85.1 Å²	85.1	32%	0.318	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-44.5	176.9	-75.8	0	0	0	0	112.1	F317 L318 C324 V325	F317-C321 WeakPolarHBondContact CE1-SG 3.38Å; F317-C321 VanDerWaalsContact CZ-SG 3.58Å; F317-C321 VanDerWaalsContact O-CB 3.29Å; F317-C321 WeakPolarHBondContact O-CB 3.44Å; F317-C321 PolarHBondContact O-N 2.76Å; F317-C321 PolarHBondContact O-SG 3.09Å; L318-C321 PolarHBondContact O-N 2.93Å; C321-C324 PolarHBondContact O-N 3.09Å; C321-V325 VanDerWaalsContact O-CG2 3.32Å; C321-V325 WeakPolarHBondContact O-CG2 3.29Å; C321-V325 PolarHBondContact O-N 2.88Å
322	S	80.9	Confident	81.1	Confident	60 Å²	60	84.6 Å²	84.6	42%	0.42	48%	0.476	S	S	.	.	H	α-helix	trans	-65.1	-42.5	177.1	67	0	0	0	0	111.5	L318 V319 C324 V325 I326	L318-S322 WeakPolarHBondContact O-CB 3.16Å; L318-S322 PolarHBondContact O-N 2.81Å; L318-S322 PolarHBondContact O-OG 3.45Å; V319-S322 PolarHBondContact O-OG 3.23Å; S322-C324 PolarHBondContact O-N 2.87Å; S322-V325 PolarHBondContact O-N 3.08Å; S322-I326 VanDerWaalsContact O-CG1 3.28Å; S322-I326 WeakPolarHBondContact O-CG1 3.17Å; S322-I326 PolarHBondContact O-N 2.85Å
323	G	84	Confident	80.4	Confident	30 Å²	30	86.5 Å²	86.5	31%	0.309	48%	0.478	S	S	.	.	H	α-helix	trans	-58.6	-44.5	173.3	0	0	0	0	0	112.7	V319 V320 I326 C327	V319-G323 PolarHBondContact O-N 2.73Å; V320-G323 PolarHBondContact O-N 2.73Å; G323-I326 PolarHBondContact O-N 3.49Å; G323-C327 WeakPolarHBondContact O-CB 3.41Å; G323-C327 PolarHBondContact O-N 3.05Å; G323-C327 PolarHBondContact O-SG 3.28Å
324	C	81.9	Confident	79.6	Confident	70 Å²	70	88.2 Å²	88.2	47%	0.473	48%	0.478	S	S	.	.	H	α-helix	trans	-61.5	-46.9	174.7	-78.9	0	0	0	0	111.9	V320 C321 S322 I326 C327 L328	V320-C324 WeakPolarHBondContact O-CB 3.09Å; V320-C324 PolarHBondContact O-N 3.19Å; V320-C324 PolarHBondContact O-SG 3.06Å; V320-C324 VanDerWaalsContact O-SG 3.35Å; C321-C324 PolarHBondContact O-N 3.09Å; S322-C324 PolarHBondContact O-N 2.87Å; C324-I326 VanDerWaalsContact C-N 3.35Å; C324-I326 PolarHBondContact O-N 2.83Å; C324-C327 PolarHBondContact O-N 3Å; C324-L328 WeakPolarHBondContact O-CB 3.3Å; C324-L328 WeakPolarHBondContact O-CG 3.45Å; C324-L328 PolarHBondContact O-N 3.21Å
325	V	79.3	Confident	78.8	Confident	81 Å²	81	88.4 Å²	88.4	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-61.1	-43.6	178.6	171.5	0	0	0	0	111.2	C321 S322 L328 L329	C321-V325 VanDerWaalsContact O-CG2 3.32Å; C321-V325 WeakPolarHBondContact O-CG2 3.29Å; C321-V325 PolarHBondContact O-N 2.88Å; S322-V325 PolarHBondContact O-N 3.08Å; V325-L328 PolarHBondContact O-N 3.32Å; V325-L329 HydrophobicContact CG1-CD1 3.93Å; V325-L329 HydrophobicContact CG1-CG 4.48Å; V325-L329 WeakPolarHBondContact O-CB 3.39Å; V325-L329 VanDerWaalsContact O-CG 3.31Å; V325-L329 WeakPolarHBondContact O-CG 3.39Å; V325-L329 PolarHBondContact O-N 2.76Å
326	I	78.7	Confident	78	Confident	94 Å²	94	84.3 Å²	84.3	48%	0.482	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-46.1	176.1	-66.4	164.5	0	0	0	110.6	S322 G323 C324 L328 L329 L330	S322-I326 VanDerWaalsContact O-CG1 3.28Å; S322-I326 WeakPolarHBondContact O-CG1 3.17Å; S322-I326 PolarHBondContact O-N 2.85Å; G323-I326 PolarHBondContact O-N 3.49Å; C324-I326 VanDerWaalsContact C-N 3.35Å; C324-I326 PolarHBondContact O-N 2.83Å; I326-L328 VanDerWaalsContact C-N 3.34Å; I326-L328 PolarHBondContact O-N 2.86Å; I326-L329 PolarHBondContact O-N 3.2Å; I326-L330 HydrophobicContact CG2-CD1 4.07Å; I326-L330 HydrophobicContact CG2-CG 4.41Å; I326-L330 WeakPolarHBondContact O-CG 3.42Å; I326-L330 PolarHBondContact O-N 3.11Å
327	C	79.4	Confident	77	Confident	83 Å²	83	82.7 Å²	82.7	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-61.2	-42.1	177.3	-69.7	0	0	0	0	112.1	G323 C324 L330 Y331	G323-C327 WeakPolarHBondContact O-CB 3.41Å; G323-C327 PolarHBondContact O-N 3.05Å; G323-C327 PolarHBondContact O-SG 3.28Å; C324-C327 PolarHBondContact O-N 3Å; C327-L330 PolarHBondContact O-N 2.95Å; C327-Y331 WeakPolarHBondContact O-CB 3.33Å; C327-Y331 PolarHBondContact O-N 3.49Å
328	L	78.3	Confident	75.6	Confident	62 Å²	62	78.4 Å²	78.4	33%	0.325	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-43.8	176.3	-69.4	171.8	0	0	0	110.8	F23 F24 C324 V325 I326 Y331 R332	F23-L328 HydrophobicContact CE1-CB 3.89Å; F23-L328 WeakPolarHBondContact CE1-O 3.44Å; F23-L328 HydrophobicContact CZ-CB 4.48Å; F24-L328 HydrophobicContact CE1-CD2 4.2Å; F24-L328 HydrophobicContact CE2-CD2 4.13Å; F24-L328 HydrophobicContact CZ-CD2 3.39Å; C324-L328 WeakPolarHBondContact O-CB 3.3Å; C324-L328 WeakPolarHBondContact O-CG 3.45Å; C324-L328 PolarHBondContact O-N 3.21Å; V325-L328 PolarHBondContact O-N 3.32Å; I326-L328 VanDerWaalsContact C-N 3.34Å; I326-L328 PolarHBondContact O-N 2.86Å; L328-Y331 PolarHBondContact O-N 3.25Å; L328-R332 WeakPolarHBondContact O-CB 3.25Å; L328-R332 PolarHBondContact O-N 2.73Å
329	L	74.3	Confident	74	Confident	91 Å²	91	73.9 Å²	73.9	48%	0.476	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-45.6	176.3	-75.9	165.5	0	0	0	112	F23 V325 I326 R332 K333	F23-L329 HydrophobicContact CE2-CD2 4.18Å; F23-L329 HydrophobicContact CZ-CD2 3.68Å; F23-L329 HydrophobicContact CZ-CG 4.08Å; V325-L329 HydrophobicContact CG1-CD1 3.93Å; V325-L329 HydrophobicContact CG1-CG 4.48Å; V325-L329 WeakPolarHBondContact O-CB 3.39Å; V325-L329 VanDerWaalsContact O-CG 3.31Å; V325-L329 WeakPolarHBondContact O-CG 3.39Å; V325-L329 PolarHBondContact O-N 2.76Å; I326-L329 PolarHBondContact O-N 3.2Å; L329-R332 PolarHBondContact O-N 2.73Å; L329-K333 WeakPolarHBondContact O-CB 3.06Å; L329-K333 PolarHBondContact O-N 2.71Å
330	L	74.8	Confident	72.2	Confident	111 Å²	111	71.2 Å²	71.2	58%	0.581	38%	0.383	S	S	*	.	H	α-helix	trans	-63	-43.1	176.3	-70.2	174.6	0	0	0	111.7	I326 C327 K333 K334	I326-L330 HydrophobicContact CG2-CD1 4.07Å; I326-L330 HydrophobicContact CG2-CG 4.41Å; I326-L330 WeakPolarHBondContact O-CG 3.42Å; I326-L330 PolarHBondContact O-N 3.11Å; C327-L330 PolarHBondContact O-N 2.95Å; L330-K333 PolarHBondContact O-N 3.08Å; L330-K334 WeakPolarHBondContact O-CB 3.4Å; L330-K334 PolarHBondContact O-N 2.77Å
331	Y	74.3	Confident	70.1	Confident	138 Å²	138	71.2 Å²	71.2	54%	0.541	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-42.8	176.5	-173.9	-88.7	0	0	0	111.7	F24 C327 L328 K334 K335	F24-Y331 AromaticContact CD1-CD1 3.74Å; F24-Y331 HydrophobicContact CD1-CD1 3.74Å; F24-Y331 HydrophobicContact CD1-CE1 4.11Å; F24-Y331 AromaticContact CE1-CD1 3.28Å; F24-Y331 HydrophobicContact CE1-CD1 3.28Å; F24-Y331 AromaticContact CE1-CE1 3.94Å; F24-Y331 HydrophobicContact CE1-CE1 3.94Å; F24-Y331 HydrophobicContact CE1-CG 4.2Å; F24-Y331 AromaticContact CZ-CD1 3.9Å; F24-Y331 HydrophobicContact CZ-CD1 3.9Å; F24-Y331 HydrophobicContact CZ-CE1 4.35Å; C327-Y331 WeakPolarHBondContact O-CB 3.33Å; C327-Y331 PolarHBondContact O-N 3.49Å; L328-Y331 PolarHBondContact O-N 3.25Å; Y331-K334 PolarHBondContact O-N 3.06Å; Y331-K335 HydrophobicContact CE1-CB 4.39Å; Y331-K335 HydrophobicContact CE1-CD 4.19Å; Y331-K335 WeakPolarHBondContact O-CB 3.35Å; Y331-K335 PolarHBondContact O-N 3.02Å
332	R	71.5	Confident	69.4	Low	71 Å²	71	72.5 Å²	72.5	27%	0.268	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-43.6	175.5	-176.3	-173.7	175.8	177.6	-2.3	111.3	F23 F24 L328 L329 K334 K335 C336	F23-R332 HydrophobicContact CD1-CB 4.25Å; F23-R332 HydrophobicContact CD1-CG 4.46Å; F23-R332 HydrophobicContact CE1-CB 3.66Å; F23-R332 HydrophobicContact CE1-CG 4.17Å; F23-R332 HydrophobicContact CZ-CB 4.26Å; F23-R332 WeakPolarHBondContact O-CD 3.13Å; F23-R332 WeakPolarHBondContact O-CG 3.2Å; F23-R332 PolarHBondContact O-NE 3.11Å; F24-R332 HydrophobicContact CD1-CB 4.32Å; L328-R332 WeakPolarHBondContact O-CB 3.25Å; L328-R332 PolarHBondContact O-N 2.73Å; L329-R332 PolarHBondContact O-N 2.73Å; R332-K334 VanDerWaalsContact C-N 3.34Å; R332-K334 PolarHBondContact O-N 2.88Å; R332-K335 PolarHBondContact O-N 3.18Å; R332-C336 VanDerWaalsContact O-CB 3.31Å; R332-C336 WeakPolarHBondContact O-CB 3.47Å; R332-C336 PolarHBondContact O-N 2.95Å
333	K	68.7	Low	68.8	Low	105 Å²	105	73.1 Å²	73.1	46%	0.457	39%	0.39	S	S	.	.	H	α-helix	trans	-57.6	-48.3	175.2	-171.8	-179.5	179.6	-175.8	0	110.5	L329 L330 K335 M337	L329-K333 WeakPolarHBondContact O-CB 3.06Å; L329-K333 PolarHBondContact O-N 2.71Å; L330-K333 PolarHBondContact O-N 3.08Å; K333-K335 PolarHBondContact O-N 2.83Å; K333-M337 CarbonylContact O-C 3.6Å; K333-M337 WeakPolarHBondContact O-CA 3.18Å; K333-M337 WeakPolarHBondContact O-CB 3.11Å; K333-M337 PolarHBondContact O-N 3.15Å
334	K	68.4	Low	68	Low	130 Å²	130	75.5 Å²	75.5	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-63.8	-38.5	178	-170.6	168.7	-172	174	0	113.4	L330 Y331 R332 P338 S341	L330-K334 WeakPolarHBondContact O-CB 3.4Å; L330-K334 PolarHBondContact O-N 2.77Å; Y331-K334 PolarHBondContact O-N 3.06Å; R332-K334 VanDerWaalsContact C-N 3.34Å; R332-K334 PolarHBondContact O-N 2.88Å; K334-P338 WeakPolarHBondContact O-CA 3.2Å; K334-S341 WeakPolarHBondContact CE-OG 3.26Å
335	K	67.5	Low	67.2	Low	75 Å²	75	75.8 Å²	75.8	33%	0.326	39%	0.389	S	S	.	.	H	α-helix	trans	-76.3	-50.9	-178.6	-172.3	-171.4	174.8	-159.5	0	112.5	F24 D193 Y331 R332 K333 M337	F24-K335 HydrophobicContact CB-CD 4.43Å; F24-K335 PolarHBondContact O-NZ 3.41Å; D193-K335 WeakPolarHBondContact OD2-CE 3.42Å; Y331-K335 HydrophobicContact CE1-CB 4.39Å; Y331-K335 HydrophobicContact CE1-CD 4.19Å; Y331-K335 WeakPolarHBondContact O-CB 3.35Å; Y331-K335 PolarHBondContact O-N 3.02Å; R332-K335 PolarHBondContact O-N 3.18Å; K333-K335 PolarHBondContact O-N 2.83Å; K335-M337 VanDerWaalsContact C-N 3.34Å
336	C	67.2	Low	66.4	Low	7 Å²	7	75.5 Å²	75.5	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-82.1	-18	-173	-60.9	0	0	0	0	113.5	C26 V29 R332	C26-C336 WeakPolarHBondContact CA-SG 3.35Å; C26-C336 HydrophobicContact CB-CB 3.43Å; C26-C336 VanDerWaalsContact CB-CB 3.43Å; C26-C336 WeakPolarHBondContact CB-SG 3.49Å; C26-C336 WeakPolarHBondContact SG-CA 3.28Å; C26-C336 WeakPolarHBondContact SG-CB 3.33Å; C26-C336 CovalentContact SG-SG 2.03Å; C26-C336 PolarHBondContact SG-SG 3.24Å; V29-C336 HydrophobicContact CG2-CB 4.47Å; R332-C336 VanDerWaalsContact O-CB 3.31Å; R332-C336 WeakPolarHBondContact O-CB 3.47Å; R332-C336 PolarHBondContact O-N 2.95Å
337	M	63.4	Low	65.6	Low	45 Å²	45	74.3 Å²	74.3	22%	0.222	38%	0.376	C	S	.	.			trans	-137.1	69	179.2	-65.2	162.5	146.8	0	0	108.8	V29 Y54 K333 K335 S339 L340	V29-M337 HydrophobicContact CG1-CE 3.69Å; V29-M337 HydrophobicContact CG1-CG 4.19Å; V29-M337 HydrophobicContact CG2-CE 4.27Å; Y54-M337 VanDerWaalsContact OH-CE 3.24Å; Y54-M337 WeakPolarHBondContact OH-CE 3.46Å; K333-M337 CarbonylContact O-C 3.6Å; K333-M337 WeakPolarHBondContact O-CA 3.18Å; K333-M337 WeakPolarHBondContact O-CB 3.11Å; K333-M337 PolarHBondContact O-N 3.15Å; K335-M337 VanDerWaalsContact C-N 3.34Å; M337-S339 PolarHBondContact O-N 3.36Å; M337-S339 VanDerWaalsContact O-N 3.1Å; M337-L340 HydrophobicContact CB-CB 3.93Å; M337-L340 HydrophobicContact CB-CD1 3.39Å; M337-L340 HydrophobicContact CB-CG 4.25Å; M337-L340 HydrophobicContact CE-CD1 4.2Å; M337-L340 HydrophobicContact CG-CD1 3.72Å; M337-L340 WeakPolarHBondContact O-CB 3.19Å; M337-L340 PolarHBondContact O-N 3.13Å; M337-L340 HydrophobicContact SD-CD1 3.54Å; M337-L340 VanDerWaalsContact SD-CD1 3.54Å
338	P	54.4	Low	64.6	Low	52 Å²	52	73.6 Å²	73.6	34%	0.338	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.9	-178.9	29.4	-35.1	0	0	0	112.6	A191 K334	A191-P338 HydrophobicContact CB-CG 4.06Å; K334-P338 WeakPolarHBondContact O-CA 3.2Å
339	S	53.9	Low	63.6	Low	12 Å²	12	74.5 Å²	74.5	8%	0.084	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.6	167.5	65.4	0	0	0	0	111.8	S93 M337 S341	S93-S339 VanDerWaalsContact CA-O 3.28Å; S93-S339 WeakPolarHBondContact CA-O 3.36Å; S93-S339 WeakPolarHBondContact CB-O 3.22Å; S93-S339 WeakPolarHBondContact OG-CB 3.44Å; S93-S339 PolarHBondContact OG-O 2.9Å; S93-S339 PolarHBondContact OG-OG 3.3Å; M337-S339 PolarHBondContact O-N 3.36Å; M337-S339 VanDerWaalsContact O-N 3.1Å; S339-S341 VanDerWaalsContact C-N 3.32Å; S339-S341 PolarHBondContact O-N 2.73Å
340	L	48.6	Very low	62.7	Low	38 Å²	38	73.2 Å²	73.2	20%	0.199	36%	0.357	C	S	.	.			trans	-80.7	1.8	-178.3	-90.7	128.6	0	0	0	115.2	G92 M337	G92-L340 VanDerWaalsContact CA-CD2 3.44Å; G92-L340 WeakPolarHBondContact O-CA 3.39Å; G92-L340 VanDerWaalsContact O-CD2 3.26Å; G92-L340 WeakPolarHBondContact O-CD2 3.13Å; G92-L340 VanDerWaalsContact O-CG 3.29Å; G92-L340 WeakPolarHBondContact O-CG 2.98Å; M337-L340 HydrophobicContact CB-CB 3.93Å; M337-L340 HydrophobicContact CB-CD1 3.39Å; M337-L340 HydrophobicContact CB-CG 4.25Å; M337-L340 HydrophobicContact CE-CD1 4.2Å; M337-L340 HydrophobicContact CG-CD1 3.72Å; M337-L340 WeakPolarHBondContact O-CB 3.19Å; M337-L340 PolarHBondContact O-N 3.13Å; M337-L340 HydrophobicContact SD-CD1 3.54Å; M337-L340 VanDerWaalsContact SD-CD1 3.54Å
341	S	39.2	Very low	61.6	Low	94 Å²	94	69.7 Å²	69.7	66%	0.657	34%	0.337	S	S	*	.			trans	-125.8	0	177.1	149.7	0	0	0	0	108.8	K334 S339	K334-S341 WeakPolarHBondContact CE-OG 3.26Å; S339-S341 VanDerWaalsContact C-N 3.32Å; S339-S341 PolarHBondContact O-N 2.73Å

Retrieved 341 of 341 residues in 124.5 ms (Link to these results)

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