A0A093HA71_STRCA Loading...

SPRY domain-containing SOCS box protein 1

AlphaFold DB (A0A663F575), UniProt , Accession A0A093HA71, Species STRCA (Struthio camelus australis), Gene n/a, Length 273 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	38.4	Very low	251 Å²	251	148.8 Å²	148.8	100%	1.236	86%	0.863	S	S	*	*				0	103	0	-75.3	179.5	-172.8	0	0	107.9
2	G	36.7	Very low	39.7	Very low	80 Å²	80	143.9 Å²	143.9	83%	0.825	84%	0.837	S	S	*	*			trans	-97.1	116.7	177.9	0	0	0	0	0	110.3
3	Q	36.1	Very low	40.6	Very low	197 Å²	197	140.6 Å²	140.6	92%	0.921	81%	0.814	S	S	*	*			trans	-79.4	115.9	169.5	-104	177	-17.9	0	0	109.1
4	K	37.4	Very low	41.7	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	79%	0.79	S	S	*	*			trans	-77.3	122.6	167	-85.1	179.9	171.4	179.2	0	108.8
5	V	37.7	Very low	42.5	Very low	144 Å²	144	142.8 Å²	142.8	87%	0.873	79%	0.792	S	S	*	*			trans	-86.6	108.3	166.4	-176.4	0	0	0	0	107.7	G7	V5-G7 PolarHBondContact O-N 3.48Å
6	T	37.7	Very low	43.6	Very low	129 Å²	129	138.3 Å²	138.3	79%	0.791	77%	0.766	S	S	*	*			trans	-87.5	99.1	171.3	43.1	0	0	0	0	109.5	G8	T6-G8 PolarHBondContact O-N 3.24Å
7	G	37.5	Very low	44.4	Very low	77 Å²	77	136.1 Å²	136.1	79%	0.794	76%	0.759	S	S	*	*			trans	-78.5	91.8	167.7	0	0	0	0	0	110.4	V5	V5-G7 PolarHBondContact O-N 3.48Å
8	G	32.8	Very low	45.6	Very low	64 Å²	64	134.3 Å²	134.3	66%	0.66	75%	0.752	S	S	*	*			trans	-81	122.7	168.9	0	0	0	0	0	110.2	T6 K10	T6-G8 PolarHBondContact O-N 3.24Å; G8-K10 PolarHBondContact O-N 3.24Å; G8-K10 VanDerWaalsContact O-N 3.1Å
9	I	39.9	Very low	45.9	Very low	167 Å²	167	131.8 Å²	131.8	86%	0.856	73%	0.731	S	S	*	*			trans	-62.8	111.1	167.8	-64.4	169.6	0	0	0	106.9	T11	I9-T11 PolarHBondContact O-N 3.1Å
10	K	43	Very low	46.2	Very low	192 Å²	192	134 Å²	134	84%	0.835	73%	0.727	S	S	*	*			trans	-68.1	115.4	174	-73.2	-176.1	176.5	-178.3	0	108.5	G8 V12	G8-K10 PolarHBondContact O-N 3.24Å; G8-K10 VanDerWaalsContact O-N 3.1Å; K10-V12 PolarHBondContact O-N 3.32Å
11	T	44.6	Very low	46.6	Very low	136 Å²	136	131.2 Å²	131.2	83%	0.834	72%	0.716	S	S	*	*			trans	-66.4	116.9	166.7	46.2	0	0	0	0	108.6	I9	I9-T11 PolarHBondContact O-N 3.1Å
12	V	53.5	Low	47	Very low	90 Å²	90	123.5 Å²	123.5	55%	0.545	68%	0.679	S	S	.	*			trans	-75.3	124.4	179.3	-178.9	0	0	0	0	109.1	K10 M14 Y19	K10-V12 PolarHBondContact O-N 3.32Å; V12-M14 PolarHBondContact O-N 3.21Å; V12-Y19 HydrophobicContact CG1-CD2 4.06Å; V12-Y19 HydrophobicContact CG1-CE2 3.71Å
13	D	51.8	Low	47.8	Very low	101 Å²	101	123.9 Å²	123.9	54%	0.54	66%	0.658	S	S	.	*			trans	-81	104.5	175	-169.7	-7.4	0	0	0	110	R15 D16	D13-R15 PolarHBondContact O-N 3.32Å; D13-R15 VanDerWaalsContact OD1-CB 3.26Å; D13-R15 WeakPolarHBondContact OD1-CB 3.31Å; D13-R15 VanDerWaalsContact OD1-CG 3.3Å; D13-R15 WeakPolarHBondContact OD1-CG 3.39Å; D13-R15 PolarHBondContact OD1-N 2.99Å; D13-D16 PolarHBondContact O-N 3.04Å
14	M	55.2	Low	48.7	Very low	98 Å²	98	120.4 Å²	120.4	48%	0.483	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68	6.1	178.5	-69.8	-69	-143.1	0	0	113.9	V12 L26	V12-M14 PolarHBondContact O-N 3.21Å; M14-L26 HydrophobicContact CE-CD1 3.96Å
15	R	54.2	Low	49.5	Very low	216 Å²	216	117.2 Å²	117.2	82%	0.815	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-10.2	173.3	-60.4	173.4	-178.2	-174.6	1	113.2	D13	D13-R15 PolarHBondContact O-N 3.32Å; D13-R15 VanDerWaalsContact OD1-CB 3.26Å; D13-R15 WeakPolarHBondContact OD1-CB 3.31Å; D13-R15 VanDerWaalsContact OD1-CG 3.3Å; D13-R15 WeakPolarHBondContact OD1-CG 3.39Å; D13-R15 PolarHBondContact OD1-N 2.99Å
16	D	60.6	Low	50.3	Low	71 Å²	71	114.4 Å²	114.4	38%	0.38	61%	0.61	S	S	.	*	S	Bend	trans	-64	129.5	177.7	-166.9	-42.8	0	0	0	110.7	D13 V18 Y19	D13-D16 PolarHBondContact O-N 3.04Å; D16-V18 PolarHBondContact O-N 3.3Å; D16-V18 WeakPolarHBondContact OD1-CB 3.26Å; D16-V18 VanDerWaalsContact OD1-CG2 3.31Å; D16-V18 WeakPolarHBondContact OD1-CG2 3.43Å; D16-V18 PolarHBondContact OD1-N 2.84Å; D16-Y19 HydrophobicContact CB-CD2 3.77Å; D16-Y19 HydrophobicContact CB-CE2 4.19Å; D16-Y19 PolarHBondContact O-N 3.24Å
17	P	57	Low	51.1	Low	100 Å²	100	112.5 Å²	112.5	65%	0.649	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-51.1	-28.4	175.8	-26.1	32.6	0	0	0	114.5	Y19 R20	P17-Y19 VanDerWaalsContact C-N 3.29Å; P17-Y19 PolarHBondContact O-N 3.03Å; P17-R20 VanDerWaalsContact O-CB 3.27Å; P17-R20 WeakPolarHBondContact O-CB 3.3Å; P17-R20 PolarHBondContact O-N 2.92Å
18	V	66.5	Low	52	Low	105 Å²	105	110.8 Å²	110.8	64%	0.636	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-66.6	-29.5	179.9	178.7	0	0	0	0	112.2	D16	D16-V18 PolarHBondContact O-N 3.3Å; D16-V18 WeakPolarHBondContact OD1-CB 3.26Å; D16-V18 VanDerWaalsContact OD1-CG2 3.31Å; D16-V18 WeakPolarHBondContact OD1-CG2 3.43Å; D16-V18 PolarHBondContact OD1-N 2.84Å
19	Y	51	Low	53.3	Low	86 Å²	86	113 Å²	113	34%	0.337	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-95.4	3.5	179	-59	-64	0	0	0	113.4	V12 D16 P17 L22 K23	V12-Y19 HydrophobicContact CG1-CD2 4.06Å; V12-Y19 HydrophobicContact CG1-CE2 3.71Å; D16-Y19 HydrophobicContact CB-CD2 3.77Å; D16-Y19 HydrophobicContact CB-CE2 4.19Å; D16-Y19 PolarHBondContact O-N 3.24Å; P17-Y19 VanDerWaalsContact C-N 3.29Å; P17-Y19 PolarHBondContact O-N 3.03Å; Y19-L22 HydrophobicContact CD1-CD1 3.94Å; Y19-L22 PolarHBondContact O-N 3.42Å; Y19-K23 WeakPolarHBondContact O-CB 3.15Å; Y19-K23 PolarHBondContact O-N 3.06Å
20	R	52.2	Low	54.5	Low	176 Å²	176	110.1 Å²	110.1	66%	0.664	56%	0.557	S	S	*	*	H	α-helix	trans	-57.7	-41.5	-179.3	-155.9	-176.8	-138	174.8	3.2	113.6	P17 K23 Q24	P17-R20 VanDerWaalsContact O-CB 3.27Å; P17-R20 WeakPolarHBondContact O-CB 3.3Å; P17-R20 PolarHBondContact O-N 2.92Å; R20-K23 PolarHBondContact O-N 3.44Å; R20-Q24 WeakPolarHBondContact O-CG 3.41Å; R20-Q24 PolarHBondContact O-N 3.35Å
21	P	54.3	Low	56.2	Low	75 Å²	75	103.4 Å²	103.4	49%	0.487	53%	0.526	S	S	.	.	H	α-helix	trans	-65.5	-44.4	175.2	-20.3	33.7	0	0	0	112.4	K23 Q24 E25	P21-K23 VanDerWaalsContact C-N 3.31Å; P21-K23 PolarHBondContact O-N 3.24Å; P21-Q24 PolarHBondContact O-N 2.93Å; P21-Q24 VanDerWaalsContact O-N 3.15Å; P21-E25 PolarHBondContact O-N 2.66Å
22	L	47.4	Very low	58.1	Low	90 Å²	90	99.8 Å²	99.8	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-37.3	176.1	-80.1	155.5	0	0	0	112	Y19 E25 L26	Y19-L22 HydrophobicContact CD1-CD1 3.94Å; Y19-L22 PolarHBondContact O-N 3.42Å; L22-E25 PolarHBondContact O-N 3.33Å; L22-L26 VanDerWaalsContact O-CB 3.3Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CD1 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.47Å; L22-L26 PolarHBondContact O-N 3.46Å
23	K	53.4	Low	59.8	Low	87 Å²	87	99.2 Å²	99.2	38%	0.378	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-39.8	174.2	-175.8	178.8	177	-176.8	0	111.9	Y19 R20 P21 L26 Q27	Y19-K23 WeakPolarHBondContact O-CB 3.15Å; Y19-K23 PolarHBondContact O-N 3.06Å; R20-K23 PolarHBondContact O-N 3.44Å; P21-K23 VanDerWaalsContact C-N 3.31Å; P21-K23 PolarHBondContact O-N 3.24Å; K23-L26 PolarHBondContact O-N 3.3Å; K23-Q27 VanDerWaalsContact O-CB 3.3Å; K23-Q27 WeakPolarHBondContact O-CB 3.27Å; K23-Q27 VanDerWaalsContact O-CG 3.23Å; K23-Q27 WeakPolarHBondContact O-CG 3.37Å; K23-Q27 PolarHBondContact O-N 3.47Å
24	Q	54.7	Low	61.6	Low	124 Å²	124	97.1 Å²	97.1	58%	0.579	49%	0.489	S	S	*	.	H	α-helix	trans	-67.5	-39	175.3	-76.2	174.3	-28.1	0	0	111.9	R20 P21 G28	R20-Q24 WeakPolarHBondContact O-CG 3.41Å; R20-Q24 PolarHBondContact O-N 3.35Å; P21-Q24 PolarHBondContact O-N 2.93Å; P21-Q24 VanDerWaalsContact O-N 3.15Å; Q24-G28 PolarHBondContact O-N 2.54Å
25	E	55.3	Low	63.2	Low	133 Å²	133	96.5 Å²	96.5	62%	0.621	49%	0.491	S	S	*	.	H	α-helix	trans	-65.3	-44.7	172.8	-74.8	178.7	170.2	0	0	112	P21 L22 G28 L29	P21-E25 PolarHBondContact O-N 2.66Å; L22-E25 PolarHBondContact O-N 3.33Å; E25-G28 WeakPolarHBondContact O-CA 3.41Å; E25-G28 PolarHBondContact O-N 3.08Å; E25-G28 VanDerWaalsContact O-N 3.15Å; E25-L29 WeakPolarHBondContact O-CG 3.38Å; E25-L29 PolarHBondContact O-N 2.82Å
26	L	53.8	Low	64.9	Low	85 Å²	85	89.3 Å²	89.3	45%	0.445	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-40	175.9	-73.1	166.4	0	0	0	112.1	M14 L22 K23 L29 D30	M14-L26 HydrophobicContact CE-CD1 3.96Å; L22-L26 VanDerWaalsContact O-CB 3.3Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CD1 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.47Å; L22-L26 PolarHBondContact O-N 3.46Å; K23-L26 PolarHBondContact O-N 3.3Å; L26-L29 HydrophobicContact CD2-CD1 4.41Å; L26-L29 PolarHBondContact O-N 3.03Å; L26-D30 PolarHBondContact O-N 2.94Å
27	Q	54.3	Low	66.4	Low	89 Å²	89	86.1 Å²	86.1	42%	0.416	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-41.6	171.2	-77.7	175.7	-28.2	0	0	110.9	K23 L29 D30 Y31	K23-Q27 VanDerWaalsContact O-CB 3.3Å; K23-Q27 WeakPolarHBondContact O-CB 3.27Å; K23-Q27 VanDerWaalsContact O-CG 3.23Å; K23-Q27 WeakPolarHBondContact O-CG 3.37Å; K23-Q27 PolarHBondContact O-N 3.47Å; Q27-L29 VanDerWaalsContact C-N 3.26Å; Q27-L29 PolarHBondContact O-N 3.27Å; Q27-D30 PolarHBondContact O-N 3.34Å; Q27-D30 VanDerWaalsContact O-N 3.16Å; Q27-Y31 HydrophobicContact CB-CE2 4.45Å; Q27-Y31 WeakPolarHBondContact O-CD2 3.32Å; Q27-Y31 VanDerWaalsContact O-CE2 3.24Å; Q27-Y31 WeakPolarHBondContact O-CE2 3.45Å
28	G	57.1	Low	68	Low	41 Å²	41	82.9 Å²	82.9	42%	0.423	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-34.4	175	0	0	0	0	0	113.6	Q24 E25 Y31 S32	Q24-G28 PolarHBondContact O-N 2.54Å; E25-G28 WeakPolarHBondContact O-CA 3.41Å; E25-G28 PolarHBondContact O-N 3.08Å; E25-G28 VanDerWaalsContact O-N 3.15Å; G28-Y31 PolarHBondContact O-N 3.08Å; G28-S32 PolarHBondContact O-N 3.27Å
29	L	59.1	Low	69	Low	112 Å²	112	78.4 Å²	78.4	59%	0.586	40%	0.396	S	S	*	.	H	α-helix	trans	-67.8	-36.4	175.2	-70.1	171.3	0	0	0	112.7	E25 L26 Q27 Y31 S32	E25-L29 WeakPolarHBondContact O-CG 3.38Å; E25-L29 PolarHBondContact O-N 2.82Å; L26-L29 HydrophobicContact CD2-CD1 4.41Å; L26-L29 PolarHBondContact O-N 3.03Å; Q27-L29 VanDerWaalsContact C-N 3.26Å; Q27-L29 PolarHBondContact O-N 3.27Å; L29-Y31 PolarHBondContact O-N 3.39Å; L29-S32 WeakPolarHBondContact O-CB 3.48Å; L29-S32 PolarHBondContact O-N 2.89Å; L29-S32 VanDerWaalsContact O-N 3.08Å; L29-S32 PolarHBondContact O-OG 3.4Å
30	D	66.5	Low	71	Confident	106 Å²	106	74.4 Å²	74.4	57%	0.567	38%	0.381	S	S	*	.	H	α-helix	trans	-64	-21.2	176.3	-80.5	-28.3	0	0	0	113	L26 Q27	L26-D30 PolarHBondContact O-N 2.94Å; Q27-D30 PolarHBondContact O-N 3.34Å; Q27-D30 VanDerWaalsContact O-N 3.16Å
31	Y	78.6	Confident	72.9	Confident	50 Å²	50	68.7 Å²	68.7	20%	0.196	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	3.5	176.9	-54.1	-63.8	0	0	0	113.5	Q27 G28 L29 F164	Q27-Y31 HydrophobicContact CB-CE2 4.45Å; Q27-Y31 WeakPolarHBondContact O-CD2 3.32Å; Q27-Y31 VanDerWaalsContact O-CE2 3.24Å; Q27-Y31 WeakPolarHBondContact O-CE2 3.45Å; G28-Y31 PolarHBondContact O-N 3.08Å; L29-Y31 PolarHBondContact O-N 3.39Å; Y31-F164 AromaticContact CD1-CD1 3.98Å; Y31-F164 HydrophobicContact CD1-CD1 3.98Å; Y31-F164 HydrophobicContact CD1-CE1 4.35Å; Y31-F164 AromaticContact CE1-CD1 3.57Å; Y31-F164 HydrophobicContact CE1-CD1 3.57Å; Y31-F164 HydrophobicContact CE1-CE1 4.25Å; Y31-F164 HydrophobicContact CE2-CB 4.19Å; Y31-F164 HydrophobicContact CE2-CD1 4.19Å; Y31-F164 HydrophobicContact CG-CD1 4.46Å; Y31-F164 AromaticContact CZ-CD1 3.7Å; Y31-F164 PolarHBondContact OH-N 2.99Å
32	S	84.5	Confident	74.5	Confident	61 Å²	61	66.6 Å²	66.6	43%	0.427	35%	0.348	S	S	.	.	S	Bend	trans	-76.3	139.5	169.3	73.8	0	0	0	0	110.4	G28 L29 P34 Y196	G28-S32 PolarHBondContact O-N 3.27Å; L29-S32 WeakPolarHBondContact O-CB 3.48Å; L29-S32 PolarHBondContact O-N 2.89Å; L29-S32 VanDerWaalsContact O-N 3.08Å; L29-S32 PolarHBondContact O-OG 3.4Å; S32-P34 WeakPolarHBondContact O-CD 3.4Å; S32-Y196 VanDerWaalsContact O-CD1 3.3Å; S32-Y196 WeakPolarHBondContact O-CD1 3.49Å
33	K	88.8	Confident	76.5	Confident	77 Å²	77	65.5 Å²	65.5	34%	0.335	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-65.8	127.8	176.4	-80.1	-175.8	-74.8	-72.3	0	109.2	L37 D38 L41 I191 G194 Y196	K33-L37 HydrophobicContact CG-CD2 4.39Å; K33-D38 HydrophobicContact CB-CB 4.45Å; K33-L41 HydrophobicContact CD-CD1 4.05Å; K33-I191 HydrophobicContact CD-CD1 4.37Å; K33-G194 PolarHBondContact NZ-O 3.07Å; K33-Y196 HydrophobicContact CG-CG 4.27Å
34	P	90	Very high	78.3	Confident	58 Å²	58	64.3 Å²	64.3	38%	0.377	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-55.6	145.5	170.3	-25.6	34.6	0	0	0	111.5	S32 R36 L37 D38	S32-P34 WeakPolarHBondContact O-CD 3.4Å; P34-R36 VanDerWaalsContact C-N 3.31Å; P34-R36 PolarHBondContact O-N 3.23Å; P34-L37 HydrophobicContact CB-CB 4.34Å; P34-L37 WeakPolarHBondContact O-CB 3.42Å; P34-L37 PolarHBondContact O-N 2.86Å; P34-D38 PolarHBondContact O-N 2.91Å
35	T	87.5	Confident	80	Confident	85 Å²	85	62.9 Å²	62.9	52%	0.521	34%	0.344	S	S	.	.	H	α-helix	trans	-57.6	-40.6	-174.3	-51.4	0	0	0	0	113.3	L37 D38 L39 R243	T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 3.5Å; T35-D38 PolarHBondContact O-N 3.41Å; T35-L39 HydrophobicContact CG2-CD1 4.04Å; T35-L39 WeakPolarHBondContact O-CB 3.3Å; T35-L39 WeakPolarHBondContact O-CD1 3.49Å; T35-L39 WeakPolarHBondContact O-CG 3.46Å; T35-L39 PolarHBondContact O-N 3.32Å; T35-R243 VanDerWaalsContact CG2-NH1 3.25Å
36	R	89.9	Confident	81.9	Confident	65 Å²	65	57.8 Å²	57.8	25%	0.245	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-37.8	176.3	-73.5	176.7	62.5	87.5	-3.1	112.1	P34 L40 L97 D184 L230 D231 E233	P34-R36 VanDerWaalsContact C-N 3.31Å; P34-R36 PolarHBondContact O-N 3.23Å; R36-L40 WeakPolarHBondContact O-CB 3.3Å; R36-L40 PolarHBondContact O-N 3.24Å; R36-L97 HydrophobicContact CB-CD2 4.06Å; R36-D184 IonicContact NH2-OD2 3.74Å; R36-L230 WeakPolarHBondContact O-CD1 3.23Å; R36-D231 PolarHBondContact NH2-O 2.81Å; R36-E233 PolarHBondContact NH1-O 2.83Å
37	L	93.4	Very high	84	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-45	176.6	177.5	59.1	0	0	0	111.6	K33 P34 T35 L39 L40 L41 L97 V99 V180 I191 Y196	K33-L37 HydrophobicContact CG-CD2 4.39Å; P34-L37 HydrophobicContact CB-CB 4.34Å; P34-L37 WeakPolarHBondContact O-CB 3.42Å; P34-L37 PolarHBondContact O-N 2.86Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 3.5Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 2.99Å; L37-L40 PolarHBondContact O-N 3.45Å; L37-L41 HydrophobicContact CD1-CD1 3.93Å; L37-L41 HydrophobicContact CD1-CG 4.06Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 HydrophobicContact CG-CG 4.49Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.29Å; L37-L41 PolarHBondContact O-N 2.87Å; L37-L97 HydrophobicContact CB-CD2 4.2Å; L37-L97 HydrophobicContact CD1-CD2 4.5Å; L37-V99 HydrophobicContact CD1-CG2 3.66Å; L37-V180 HydrophobicContact CD1-CB 4.42Å; L37-V180 HydrophobicContact CD1-CG1 3.66Å; L37-V180 HydrophobicContact CD1-CG2 3.83Å; L37-V180 HydrophobicContact CD2-CG1 4.02Å; L37-V180 HydrophobicContact CD2-CG2 4.1Å; L37-V180 HydrophobicContact CG-CG1 4.4Å; L37-I191 HydrophobicContact CD1-CD1 4.33Å; L37-I191 HydrophobicContact CD2-CD1 3.88Å; L37-I191 HydrophobicContact CG-CD1 4.3Å; L37-Y196 HydrophobicContact CD2-CD2 3.9Å; L37-Y196 HydrophobicContact CD2-CE2 3.94Å
38	D	90.1	Very high	86	Confident	31 Å²	31	57.4 Å²	57.4	17%	0.166	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-43.8	176.9	-167	55.6	0	0	0	111.5	K33 P34 T35 L41 D42 R243	K33-D38 HydrophobicContact CB-CB 4.45Å; P34-D38 PolarHBondContact O-N 2.91Å; T35-D38 PolarHBondContact O-N 3.41Å; D38-L41 PolarHBondContact O-N 3.15Å; D38-D42 PolarHBondContact O-N 3.39Å; D38-D42 VanDerWaalsContact O-N 3.16Å; D38-R243 IonicContact OD2-CZ 2.75Å; D38-R243 IonicContact OD2-NE 3.56Å; D38-R243 PolarHBondContact OD2-NE 3.18Å; D38-R243 IonicContact OD2-NH2 3.41Å; D38-R243 PolarHBondContact OD2-NH2 2.78Å
39	L	88.3	Confident	88	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-56.7	-51.5	172.2	-86.2	154.1	0	0	0	112.8	T35 L37 L41 D42 M43 L235 L240 R243	T35-L39 HydrophobicContact CG2-CD1 4.04Å; T35-L39 WeakPolarHBondContact O-CB 3.3Å; T35-L39 WeakPolarHBondContact O-CD1 3.49Å; T35-L39 WeakPolarHBondContact O-CG 3.46Å; T35-L39 PolarHBondContact O-N 3.32Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 2.99Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.03Å; L39-D42 PolarHBondContact O-N 3.42Å; L39-M43 PolarHBondContact O-N 3.32Å; L39-L235 HydrophobicContact CB-CD1 4.4Å; L39-L235 HydrophobicContact CD1-CD1 3.42Å; L39-L235 VanDerWaalsContact CD1-CD1 3.42Å; L39-L235 HydrophobicContact CD2-CD1 4.41Å; L39-L235 HydrophobicContact CG-CD1 4.26Å; L39-L240 HydrophobicContact CD1-CD2 4.12Å; L39-R243 HydrophobicContact CD2-CB 3.68Å; L39-R243 HydrophobicContact CD2-CG 4Å
40	L	92.1	Very high	89.8	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-58.6	-42.6	-179.2	-172.5	161.6	0	0	0	111.4	R36 L37 D42 M43 L97 V99 N228 L230	R36-L40 WeakPolarHBondContact O-CB 3.3Å; R36-L40 PolarHBondContact O-N 3.24Å; L37-L40 PolarHBondContact O-N 3.45Å; L40-D42 VanDerWaalsContact C-N 3.29Å; L40-D42 PolarHBondContact O-N 3.15Å; L40-M43 WeakPolarHBondContact O-CB 3.43Å; L40-M43 PolarHBondContact O-N 3.12Å; L40-L97 HydrophobicContact CB-CD2 4.41Å; L40-L97 HydrophobicContact CD1-CB 4.29Å; L40-L97 HydrophobicContact CD1-CD2 3.76Å; L40-L97 HydrophobicContact CD1-CG 3.73Å; L40-V99 HydrophobicContact CD1-CG2 4Å; L40-V99 HydrophobicContact CD2-CB 3.85Å; L40-V99 HydrophobicContact CD2-CG2 3.56Å; L40-V99 HydrophobicContact CG-CG2 4.43Å; L40-N228 HydrophobicContact CD2-CB 3.46Å; L40-N228 VanDerWaalsContact CD2-CB 3.46Å; L40-N228 HydrophobicContact CG-CB 3.86Å; L40-L230 HydrophobicContact CB-CD1 3.77Å; L40-L230 HydrophobicContact CB-CG 4.09Å; L40-L230 HydrophobicContact CD1-CB 4.35Å; L40-L230 HydrophobicContact CD1-CD1 4.27Å; L40-L230 HydrophobicContact CD1-CG 3.93Å; L40-L230 HydrophobicContact CG-CD1 4.35Å; L40-L230 HydrophobicContact CG-CG 4.13Å
41	L	92.3	Very high	91.4	Very high	56 Å²	56	54.4 Å²	54.4	29%	0.293	29%	0.292	S	S	.	.	H	α-helix	trans	-72	-22.2	-179	-66.8	172.3	0	0	0	113.6	K33 L37 D38 L39 M43 V99 L178 I191	K33-L41 HydrophobicContact CD-CD1 4.05Å; L37-L41 HydrophobicContact CD1-CD1 3.93Å; L37-L41 HydrophobicContact CD1-CG 4.06Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 HydrophobicContact CG-CG 4.49Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.29Å; L37-L41 PolarHBondContact O-N 2.87Å; D38-L41 PolarHBondContact O-N 3.15Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.03Å; L41-M43 VanDerWaalsContact C-N 3.34Å; L41-V99 HydrophobicContact CD2-CG1 4.08Å; L41-L178 HydrophobicContact CD2-CD1 3.75Å; L41-I191 HydrophobicContact CD1-CD1 3.53Å
42	D	88.6	Confident	92.3	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.16	29%	0.294	C	S	.	.	H	α-helix	trans	-83.8	-9.6	174.9	-87.8	-4.6	0	0	0	113.1	D38 L39 L40 Y272	D38-D42 PolarHBondContact O-N 3.39Å; D38-D42 VanDerWaalsContact O-N 3.16Å; L39-D42 PolarHBondContact O-N 3.42Å; L40-D42 VanDerWaalsContact C-N 3.29Å; L40-D42 PolarHBondContact O-N 3.15Å; D42-Y272 WeakPolarHBondContact O-CE2 3.45Å; D42-Y272 PolarHBondContact O-OH 2.77Å
43	M	89.2	Confident	93	Very high	67 Å²	67	56.8 Å²	56.8	33%	0.33	30%	0.302	S	S	.	.	S	Bend	trans	-75.8	149.1	173.6	-65.9	172.8	68.2	0	0	110.8	L39 L40 L41 L230	L39-M43 PolarHBondContact O-N 3.32Å; L40-M43 WeakPolarHBondContact O-CB 3.43Å; L40-M43 PolarHBondContact O-N 3.12Å; L41-M43 VanDerWaalsContact C-N 3.34Å; M43-L230 HydrophobicContact SD-CD2 3.85Å
44	P	89.5	Confident	93.5	Very high	63 Å²	63	54.6 Å²	54.6	41%	0.409	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-54.8	142	170.1	-22.5	32.3	0	0	0	111	N228 Y272	P44-N228 PolarHBondContact O-ND2 2.85Å; P44-Y272 VanDerWaalsContact CD-CD1 3.5Å; P44-Y272 VanDerWaalsContact CG-CB 3.48Å; P44-Y272 HydrophobicContact CG-CD1 3.82Å; P44-Y272 HydrophobicContact CG-CD2 3.98Å; P44-Y272 HydrophobicContact CG-CE1 4.47Å; P44-Y272 HydrophobicContact CG-CG 3.53Å
45	P	90.4	Very high	93.9	Very high	93 Å²	93	51.9 Å²	51.9	60%	0.604	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-62.1	148.3	177.5	27.7	-34.6	0	0	0	110.6
46	V	96	Very high	94.4	Very high	27 Å²	27	47.9 Å²	47.9	16%	0.164	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60.2	156.2	174.6	-65.5	0	0	0	0	112.2	V50 Q51 Y226 L227 N228	V46-V50 HydrophobicContact CB-CB 3.9Å; V46-V50 HydrophobicContact CB-CG1 3.82Å; V46-V50 HydrophobicContact CG1-CG1 4.07Å; V46-V50 HydrophobicContact CG2-CB 4.07Å; V46-V50 HydrophobicContact CG2-CG1 3.88Å; V46-Q51 HydrophobicContact CG2-CG 3.87Å; V46-Q51 PolarHBondContact O-NE2 2.9Å; V46-Y226 HydrophobicContact CG1-CE1 4.46Å; V46-Y226 HydrophobicContact CG2-CD1 3.85Å; V46-Y226 WeakPolarHBondContact CG2-O 3.32Å; V46-L227 WeakPolarHBondContact CG1-O 3.45Å; V46-L227 WeakPolarHBondContact CG2-O 3.14Å; V46-L227 PolarHBondContact N-O 3.06Å; V46-N228 WeakPolarHBondContact CG1-OD1 3.47Å
47	S	97.6	Very high	94.8	Very high	57 Å²	57	46.4 Å²	46.4	40%	0.399	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-61.6	162.6	177.5	83.8	0	0	0	0	112.4	E49 V50 Q51	S47-E49 VanDerWaalsContact C-N 3.29Å; S47-E49 VanDerWaalsContact CB-OE2 3.23Å; S47-E49 WeakPolarHBondContact CB-OE2 2.89Å; S47-E49 PolarHBondContact O-N 2.78Å; S47-E49 PolarHBondContact OG-N 2.79Å; S47-E49 PolarHBondContact OG-OE2 2.83Å; S47-V50 PolarHBondContact O-N 2.77Å; S47-V50 PolarHBondContact OG-N 3.01Å; S47-Q51 WeakPolarHBondContact O-CG 3.38Å; S47-Q51 PolarHBondContact O-N 2.99Å
48	Y	97.4	Very high	95.1	Very high	109 Å²	109	49.2 Å²	49.2	43%	0.427	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-35.5	178.5	-176.1	-114.5	0	0	0	112.3	V50 Q51 L52 L73	Y48-V50 VanDerWaalsContact C-N 3.3Å; Y48-V50 PolarHBondContact O-N 2.75Å; Y48-Q51 WeakPolarHBondContact O-CB 3.26Å; Y48-Q51 PolarHBondContact O-N 3.5Å; Y48-Q51 VanDerWaalsContact O-N 3.15Å; Y48-L52 HydrophobicContact CD1-CD1 4.01Å; Y48-L52 HydrophobicContact CD1-CG 4.32Å; Y48-L52 HydrophobicContact CE1-CD1 3.65Å; Y48-L52 HydrophobicContact CE1-CD2 4.25Å; Y48-L52 HydrophobicContact CE1-CG 4Å; Y48-L52 HydrophobicContact CE2-CD2 4.35Å; Y48-L52 HydrophobicContact CE2-CG 4.44Å; Y48-L52 WeakPolarHBondContact O-CG 3.45Å; Y48-L52 PolarHBondContact O-N 3.25Å; Y48-L73 HydrophobicContact CD2-CD1 4.33Å; Y48-L73 HydrophobicContact CE2-CD1 3.77Å; Y48-L73 HydrophobicContact CE2-CG 4.09Å
49	E	98.1	Very high	95.5	Very high	129 Å²	129	55 Å²	55	60%	0.603	29%	0.293	S	S	*	.	H	α-helix	trans	-60.2	-41.7	175.4	-58	81.4	-167.3	0	0	111.4	S47 L52 L53	S47-E49 VanDerWaalsContact C-N 3.29Å; S47-E49 VanDerWaalsContact CB-OE2 3.23Å; S47-E49 WeakPolarHBondContact CB-OE2 2.89Å; S47-E49 PolarHBondContact O-N 2.78Å; S47-E49 PolarHBondContact OG-N 2.79Å; S47-E49 PolarHBondContact OG-OE2 2.83Å; E49-L52 WeakPolarHBondContact O-CB 3.44Å; E49-L52 PolarHBondContact O-N 2.97Å; E49-L53 WeakPolarHBondContact O-CG 3.45Å; E49-L53 PolarHBondContact O-N 3.45Å
50	V	98.2	Very high	96	Very high	46 Å²	46	56.1 Å²	56.1	28%	0.279	30%	0.3	S	S	.	.	H	α-helix	trans	-66.8	-41	175.7	179.8	0	0	0	0	110.7	V46 S47 Y48 L52 L53 H54 Y226	V46-V50 HydrophobicContact CB-CB 3.9Å; V46-V50 HydrophobicContact CB-CG1 3.82Å; V46-V50 HydrophobicContact CG1-CG1 4.07Å; V46-V50 HydrophobicContact CG2-CB 4.07Å; V46-V50 HydrophobicContact CG2-CG1 3.88Å; S47-V50 PolarHBondContact O-N 2.77Å; S47-V50 PolarHBondContact OG-N 3.01Å; Y48-V50 VanDerWaalsContact C-N 3.3Å; Y48-V50 PolarHBondContact O-N 2.75Å; V50-L52 PolarHBondContact O-N 3Å; V50-L53 WeakPolarHBondContact O-CB 3.48Å; V50-L53 PolarHBondContact O-N 3.42Å; V50-L53 VanDerWaalsContact O-N 3.11Å; V50-H54 PolarHBondContact O-CD2 3.45Å; V50-H54 VanDerWaalsContact O-CD2 3.26Å; V50-H54 PolarHBondContact O-N 3Å; V50-Y226 HydrophobicContact CG1-CD1 4.3Å
51	Q	98.6	Very high	96.3	Very high	20 Å²	20	59.4 Å²	59.4	9%	0.093	31%	0.312	C	S	.	.	H	α-helix	trans	-56.1	-40.3	174.6	-66.2	169.5	32.3	0	0	111.7	V46 S47 Y48 H54 S55 L73 R225 Y226	V46-Q51 HydrophobicContact CG2-CG 3.87Å; V46-Q51 PolarHBondContact O-NE2 2.9Å; S47-Q51 WeakPolarHBondContact O-CG 3.38Å; S47-Q51 PolarHBondContact O-N 2.99Å; Y48-Q51 WeakPolarHBondContact O-CB 3.26Å; Y48-Q51 PolarHBondContact O-N 3.5Å; Y48-Q51 VanDerWaalsContact O-N 3.15Å; Q51-H54 CarbonylContact O-C 3.57Å; Q51-H54 PolarHBondContact O-N 2.77Å; Q51-S55 PolarHBondContact O-N 3.32Å; Q51-L73 HydrophobicContact CB-CD1 4.4Å; Q51-L73 HydrophobicContact CB-CD2 4.13Å; Q51-R225 HydrophobicContact CG-CG 4.12Å; Q51-R225 VanDerWaalsContact OE1-CG 3.31Å; Q51-Y226 WeakPolarHBondContact CG-O 3.4Å
52	L	98.5	Very high	96.6	Very high	48 Å²	48	57.1 Å²	57.1	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-67	-33	177.3	-69.8	178.3	0	0	0	113.9	Y48 E49 V50 H54 S55 K72 L73 K90	Y48-L52 HydrophobicContact CD1-CD1 4.01Å; Y48-L52 HydrophobicContact CD1-CG 4.32Å; Y48-L52 HydrophobicContact CE1-CD1 3.65Å; Y48-L52 HydrophobicContact CE1-CD2 4.25Å; Y48-L52 HydrophobicContact CE1-CG 4Å; Y48-L52 HydrophobicContact CE2-CD2 4.35Å; Y48-L52 HydrophobicContact CE2-CG 4.44Å; Y48-L52 WeakPolarHBondContact O-CG 3.45Å; Y48-L52 PolarHBondContact O-N 3.25Å; E49-L52 WeakPolarHBondContact O-CB 3.44Å; E49-L52 PolarHBondContact O-N 2.97Å; V50-L52 PolarHBondContact O-N 3Å; L52-H54 VanDerWaalsContact C-N 3.26Å; L52-H54 PolarHBondContact O-N 3Å; L52-S55 PolarHBondContact O-N 2.97Å; L52-S55 PolarHBondContact O-OG 3.41Å; L52-S55 VanDerWaalsContact O-OG 3.12Å; L52-K72 HydrophobicContact CD2-CB 3.61Å; L52-L73 HydrophobicContact CD2-CD2 3.96Å; L52-L73 HydrophobicContact CD2-CG 4.49Å; L52-K90 PolarHBondContact O-NZ 3Å
53	L	98.5	Very high	97.1	Very high	113 Å²	113	62.7 Å²	62.7	59%	0.592	33%	0.33	S	S	*	.	H	α-helix	trans	-65	-34.2	174.8	-67.4	175.6	0	0	0	111.6	E49 V50 K90 V91	E49-L53 WeakPolarHBondContact O-CG 3.45Å; E49-L53 PolarHBondContact O-N 3.45Å; V50-L53 WeakPolarHBondContact O-CB 3.48Å; V50-L53 PolarHBondContact O-N 3.42Å; V50-L53 VanDerWaalsContact O-N 3.11Å; L53-K90 WeakPolarHBondContact O-CB 3.17Å; L53-V91 WeakPolarHBondContact O-CG2 3.41Å
54	H	98.7	Very high	97.5	Very high	32 Å²	32	61.3 Å²	61.3	15%	0.148	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	2.4	-179.1	-68.6	-105.1	0	0	0	113.6	V50 Q51 L52 Y93 M224 Y226	V50-H54 PolarHBondContact O-CD2 3.45Å; V50-H54 VanDerWaalsContact O-CD2 3.26Å; V50-H54 PolarHBondContact O-N 3Å; Q51-H54 CarbonylContact O-C 3.57Å; Q51-H54 PolarHBondContact O-N 2.77Å; L52-H54 VanDerWaalsContact C-N 3.26Å; L52-H54 PolarHBondContact O-N 3Å; H54-Y93 AromaticContact CE1-CE1 3.75Å; H54-Y93 AromaticContact ND1-CE1 3.57Å; H54-Y93 AromaticContact ND1-CZ 3.6Å; H54-Y93 PolarHBondContact ND1-OH 2.95Å; H54-M224 WeakPolarHBondContact O-CE 3.09Å; H54-Y226 HydrophobicContact CB-CD1 4.24Å; H54-Y226 HydrophobicContact CB-CD2 4.04Å; H54-Y226 HydrophobicContact CB-CG 3.7Å; H54-Y226 AromaticContact CD2-CD1 3.95Å; H54-Y226 AromaticContact CE1-CE1 3.88Å; H54-Y226 AromaticContact CE1-CZ 3.75Å; H54-Y226 AromaticContact CG-CD1 3.84Å; H54-Y226 AromaticContact CG-CD2 3.97Å; H54-Y226 AromaticContact CG-CG 3.71Å; H54-Y226 AromaticContact ND1-CD2 3.75Å; H54-Y226 AromaticContact ND1-CE2 3.69Å; H54-Y226 AromaticContact ND1-CG 3.93Å; H54-Y226 AromaticContact ND1-CZ 3.81Å; H54-Y226 AromaticContact NE2-CE1 3.99Å
55	S	98.7	Very high	98	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	30%	0.304	C	S	.	.	S	Bend	trans	-70.8	-178.4	-175.1	83.2	0	0	0	0	113.3	Q51 L52 K72 G89 K90	Q51-S55 PolarHBondContact O-N 3.32Å; L52-S55 PolarHBondContact O-N 2.97Å; L52-S55 PolarHBondContact O-OG 3.41Å; L52-S55 VanDerWaalsContact O-OG 3.12Å; S55-K72 WeakPolarHBondContact CB-O 3.43Å; S55-K72 PolarHBondContact OG-O 3.17Å; S55-K72 VanDerWaalsContact OG-O 3.11Å; S55-G89 CarbonylContact O-C 3.56Å; S55-G89 WeakPolarHBondContact O-CA 3.29Å; S55-K90 WeakPolarHBondContact O-CG 3.49Å; S55-K90 PolarHBondContact O-N 2.82Å; S55-K90 PolarHBondContact OG-NZ 3.02Å
56	W	98.9	Very high	98.4	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	140.3	174.7	-61.9	125.4	0	0	0	112.6	V67 L73 F75 I87 K90 I102 V213 I222 M224	W56-V67 HydrophobicContact CB-CG2 3.75Å; W56-L73 VanDerWaalsContact CD1-O 3.24Å; W56-L73 PolarHBondContact NE1-O 3.49Å; W56-F75 AromaticContact CD1-CD1 3.74Å; W56-F75 AromaticContact CD2-CD1 3.99Å; W56-F75 HydrophobicContact CD2-CD1 3.99Å; W56-F75 HydrophobicContact CD2-CE1 4.46Å; W56-F75 AromaticContact CE2-CD1 3.68Å; W56-F75 AromaticContact CE2-CE1 3.95Å; W56-F75 HydrophobicContact CG-CD1 4.03Å; W56-F75 HydrophobicContact CZ2-CD1 4.26Å; W56-F75 HydrophobicContact CZ2-CE1 4.05Å; W56-F75 AromaticContact NE1-CD1 3.49Å; W56-I87 HydrophobicContact CB-CD1 3.83Å; W56-I87 HydrophobicContact CB-CG1 4.28Å; W56-I87 HydrophobicContact CD2-CG2 4.26Å; W56-I87 HydrophobicContact CE3-CG1 4.29Å; W56-I87 HydrophobicContact CE3-CG2 4.03Å; W56-I87 HydrophobicContact CG-CD1 4.42Å; W56-I87 HydrophobicContact CZ3-CG2 4.42Å; W56-K90 VanDerWaalsContact O-CE 3.28Å; W56-K90 WeakPolarHBondContact O-CE 3.2Å; W56-I102 HydrophobicContact CH2-CD1 4.08Å; W56-I102 HydrophobicContact CZ2-CD1 3.95Å; W56-V213 HydrophobicContact CH2-CG1 3.88Å; W56-V213 HydrophobicContact CH2-CG2 4.09Å; W56-V213 HydrophobicContact CZ2-CG1 4.37Å; W56-V213 HydrophobicContact CZ2-CG2 4.31Å; W56-I222 HydrophobicContact CZ2-CG2 4.2Å; W56-I222 PolarHBondContact NE1-O 3.46Å; W56-I222 VanDerWaalsContact NE1-O 3.11Å; W56-M224 HydrophobicContact CD2-CB 4.21Å; W56-M224 HydrophobicContact CD2-CE 3.83Å; W56-M224 VanDerWaalsContact CE2-CB 3.45Å; W56-M224 HydrophobicContact CE3-CE 3.65Å; W56-M224 HydrophobicContact CE3-SD 4.31Å; W56-M224 HydrophobicContact CG-CE 4.45Å; W56-M224 HydrophobicContact CH2-CB 4.05Å; W56-M224 HydrophobicContact CH2-CE 4.15Å; W56-M224 HydrophobicContact CH2-CG 4.45Å; W56-M224 HydrophobicContact CH2-SD 3.72Å; W56-M224 HydrophobicContact CZ2-CB 3.4Å; W56-M224 VanDerWaalsContact CZ2-CB 3.4Å; W56-M224 HydrophobicContact CZ2-CE 4.38Å; W56-M224 HydrophobicContact CZ2-CG 4.27Å; W56-M224 HydrophobicContact CZ2-SD 4.09Å; W56-M224 HydrophobicContact CZ3-CE 3.8Å; W56-M224 HydrophobicContact CZ3-SD 3.86Å
57	N	98.8	Very high	98.5	Very high	33 Å²	33	56.3 Å²	56.3	18%	0.176	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.5	178.8	-170.1	-5	0	0	0	110.6	D59 D60 R88 K90	N57-D59 PolarHBondContact O-N 2.94Å; N57-D59 PolarHBondContact OD1-N 3.13Å; N57-D60 HydrophobicContact CB-CB 3.92Å; N57-D60 VanDerWaalsContact ND2-CB 3.33Å; N57-D60 WeakPolarHBondContact ND2-CB 3.38Å; N57-D60 CarbonylContact O-C 3.49Å; N57-D60 PolarHBondContact O-N 3.1Å; N57-R88 WeakPolarHBondContact CB-O 3.1Å; N57-R88 PolarHBondContact N-O 2.9Å; N57-K90 HydrophobicContact CB-CB 4.47Å; N57-K90 HydrophobicContact CB-CG 3.76Å
58	N	98.2	Very high	98.6	Very high	63 Å²	63	55.2 Å²	55.2	34%	0.337	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-13	-179.6	-160	51.1	0	0	0	113.4	R61 V67	N58-R61 WeakPolarHBondContact O-CD 3.42Å; N58-R61 PolarHBondContact O-NE 3.43Å; N58-R61 PolarHBondContact OD1-NE 3.25Å; N58-V67 HydrophobicContact CB-CB 4.09Å; N58-V67 HydrophobicContact CB-CG2 3.8Å; N58-V67 PolarHBondContact OD1-N 2.71Å
59	D	98.6	Very high	98.5	Very high	152 Å²	152	58.2 Å²	58.2	81%	0.813	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	-5.2	177.2	-55.8	-39.5	0	0	0	112.4	N57	N57-D59 PolarHBondContact O-N 2.94Å; N57-D59 PolarHBondContact OD1-N 3.13Å
60	D	98.8	Very high	98.5	Very high	37 Å²	37	58.1 Å²	58.1	20%	0.198	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	74.3	-176.6	-171.6	20.7	0	0	0	111.2	N57 R88 L124	N57-D60 HydrophobicContact CB-CB 3.92Å; N57-D60 VanDerWaalsContact ND2-CB 3.33Å; N57-D60 WeakPolarHBondContact ND2-CB 3.38Å; N57-D60 CarbonylContact O-C 3.49Å; N57-D60 PolarHBondContact O-N 3.1Å; D60-R88 PolarHBondContact O-N 2.85Å; D60-R88 VanDerWaalsContact O-N 3.17Å; D60-R88 IonicContact OD1-CZ 3.13Å; D60-R88 IonicContact OD1-NE 3.84Å; D60-R88 PolarHBondContact OD1-NE 3.36Å; D60-R88 IonicContact OD1-NH2 3.5Å; D60-R88 PolarHBondContact OD1-NH2 2.8Å; D60-R88 WeakPolarHBondContact OD2-CB 3.44Å; D60-R88 IonicContact OD2-CZ 2.75Å; D60-R88 IonicContact OD2-NE 3.91Å; D60-R88 PolarHBondContact OD2-NE 3.01Å; D60-R88 IonicContact OD2-NH2 3.25Å; D60-L124 VanDerWaalsContact C-CD1 3.45Å; D60-L124 WeakPolarHBondContact O-CD1 3.37Å; D60-L124 VanDerWaalsContact OD1-CD1 3.31Å; D60-L124 WeakPolarHBondContact OD1-CD1 3.47Å
61	R	98.8	Very high	98.4	Very high	71 Å²	71	56.9 Å²	56.9	27%	0.268	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	162.9	-168.8	61.3	172.2	178.3	80.5	4.2	112.7	N58 V65 I87	N58-R61 WeakPolarHBondContact O-CD 3.42Å; N58-R61 PolarHBondContact O-NE 3.43Å; N58-R61 PolarHBondContact OD1-NE 3.25Å; R61-V65 HydrophobicContact CB-CG2 3.79Å; R61-V65 VanDerWaalsContact CD-O 3.23Å; R61-V65 WeakPolarHBondContact CD-O 3.22Å; R61-V65 HydrophobicContact CG-CG2 4.41Å; R61-V65 VanDerWaalsContact CZ-O 3.25Å; R61-V65 PolarHBondContact NE-O 3.16Å; R61-V65 PolarHBondContact NH1-O 3.33Å; R61-I87 HydrophobicContact CB-CB 3.95Å; R61-I87 HydrophobicContact CB-CD1 3.74Å; R61-I87 HydrophobicContact CB-CG1 3.73Å
62	S	98.8	Very high	98.4	Very high	7 Å²	7	60 Å²	60	5%	0.049	30%	0.299	C	S	.	.			trans	-58.4	146.8	157.2	177.3	0	0	0	0	110.6	N64 V65 D85 A86 L124	S62-N64 PolarHBondContact O-N 3.2Å; S62-N64 PolarHBondContact OG-N 3.21Å; S62-V65 WeakPolarHBondContact O-CG2 3.46Å; S62-V65 PolarHBondContact O-N 2.94Å; S62-D85 PolarHBondContact OG-OD1 3.34Å; S62-A86 PolarHBondContact N-O 2.82Å; S62-L124 WeakPolarHBondContact CB-O 3.38Å
63	L	98.6	Very high	98.4	Very high	148 Å²	148	58 Å²	58	78%	0.775	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.1	173.1	-64.4	178.1	0	0	0	112.9	V65	L63-V65 VanDerWaalsContact C-N 3.33Å
64	N	98.8	Very high	98.5	Very high	38 Å²	38	53.4 Å²	53.4	20%	0.203	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.9	-178.7	-57.7	-40.8	0	0	0	114.1	S62 H78 V80 S83 D85	S62-N64 PolarHBondContact O-N 3.2Å; S62-N64 PolarHBondContact OG-N 3.21Å; N64-H78 WeakPolarHBondContact O-CB 2.89Å; N64-H78 PolarHBondContact O-CD2 3.18Å; N64-H78 PolarHBondContact O-N 2.86Å; N64-V80 HydrophobicContact CB-CG2 4.04Å; N64-S83 PolarHBondContact ND2-OG 2.74Å; N64-D85 HydrophobicContact CB-CB 4.47Å; N64-D85 WeakPolarHBondContact CB-OD1 3.46Å; N64-D85 PolarHBondContact ND2-OD1 3.42Å
65	V	98.8	Very high	98.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.4	173.3	-57	0	0	0	0	109.6	R61 S62 L63 F75 H76 R77 D85 I87	R61-V65 HydrophobicContact CB-CG2 3.79Å; R61-V65 VanDerWaalsContact CD-O 3.23Å; R61-V65 WeakPolarHBondContact CD-O 3.22Å; R61-V65 HydrophobicContact CG-CG2 4.41Å; R61-V65 VanDerWaalsContact CZ-O 3.25Å; R61-V65 PolarHBondContact NE-O 3.16Å; R61-V65 PolarHBondContact NH1-O 3.33Å; S62-V65 WeakPolarHBondContact O-CG2 3.46Å; S62-V65 PolarHBondContact O-N 2.94Å; L63-V65 VanDerWaalsContact C-N 3.33Å; V65-F75 HydrophobicContact CB-CD2 3.86Å; V65-F75 HydrophobicContact CB-CE2 4.29Å; V65-F75 HydrophobicContact CG1-CD2 4.04Å; V65-F75 HydrophobicContact CG1-CE2 3.96Å; V65-H76 CarbonylContact C-O 3.58Å; V65-H76 VanDerWaalsContact CA-O 3.23Å; V65-H76 WeakPolarHBondContact CA-O 3.31Å; V65-R77 HydrophobicContact CG1-CB 3.89Å; V65-R77 HydrophobicContact CG1-CG 3.88Å; V65-D85 HydrophobicContact CG1-CB 3.82Å; V65-I87 HydrophobicContact CG2-CB 4.12Å; V65-I87 HydrophobicContact CG2-CD1 4.37Å
66	F	98.8	Very high	98.5	Very high	69 Å²	69	53 Å²	53	30%	0.303	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.5	172.6	62.1	-88.9	0	0	0	110.4	K68 F75 H76 H78	F66-K68 HydrophobicContact CE2-CG 4.48Å; F66-F75 CarbonylContact O-C 3.47Å; F66-F75 VanDerWaalsContact O-CA 3.22Å; F66-F75 WeakPolarHBondContact O-CA 3.46Å; F66-F75 WeakPolarHBondContact O-CB 3.24Å; F66-H76 HydrophobicContact CD1-CB 4.47Å; F66-H76 HydrophobicContact CD2-CB 4.48Å; F66-H76 HydrophobicContact CE1-CB 3.94Å; F66-H76 AromaticContact CE1-CD2 3.42Å; F66-H76 VanDerWaalsContact CE1-CD2 3.42Å; F66-H76 WeakPolarHBondContact CE1-CD2 3.49Å; F66-H76 AromaticContact CE1-CG 3.94Å; F66-H76 HydrophobicContact CE2-CB 3.94Å; F66-H76 HydrophobicContact CZ-CB 3.64Å; F66-H76 AromaticContact CZ-CD2 3.61Å; F66-H76 AromaticContact CZ-CG 3.74Å; F66-H76 PolarHBondContact N-O 2.79Å; F66-H76 PolarHBondContact O-N 2.77Å; F66-H78 AromaticContact CD1-CE1 3.77Å; F66-H78 AromaticContact CD1-NE2 3.41Å; F66-H78 WeakPolarHBondContact CD1-NE2 3.07Å; F66-H78 AromaticContact CE1-CE1 3.44Å; F66-H78 VanDerWaalsContact CE1-CE1 3.44Å; F66-H78 WeakPolarHBondContact CE1-CE1 3.11Å; F66-H78 AromaticContact CE1-NE2 3.6Å
67	V	98.8	Very high	98.5	Very high	9 Å²	9	53 Å²	53	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.8	172.5	-177.9	0	0	0	0	108.7	W56 N58 K72 F75 I87	W56-V67 HydrophobicContact CB-CG2 3.75Å; N58-V67 HydrophobicContact CB-CB 4.09Å; N58-V67 HydrophobicContact CB-CG2 3.8Å; N58-V67 PolarHBondContact OD1-N 2.71Å; V67-K72 HydrophobicContact CG1-CB 4.43Å; V67-K72 HydrophobicContact CG1-CD 4.13Å; V67-F75 HydrophobicContact CG2-CB 4.45Å; V67-I87 HydrophobicContact CG2-CD1 3.85Å
68	K	98.6	Very high	98.5	Very high	34 Å²	34	55.4 Å²	55.4	15%	0.148	27%	0.273	C	S	.	.			trans	-62.9	152.8	-176.8	-69.7	-175.4	66.4	169.4	0	111.9	F66 D70 K72 I74 H76 E221	F66-K68 HydrophobicContact CE2-CG 4.48Å; K68-D70 WeakPolarHBondContact CB-OD1 3.46Å; K68-D70 WeakPolarHBondContact CE-OD1 3.43Å; K68-D70 IonicContact NZ-OD2 4Å; K68-K72 VanDerWaalsContact O-CD 3.3Å; K68-K72 WeakPolarHBondContact O-CD 3.3Å; K68-K72 WeakPolarHBondContact O-CE 3.47Å; K68-K72 PolarHBondContact O-NZ 3.31Å; K68-K72 VanDerWaalsContact O-NZ 3.17Å; K68-I74 HydrophobicContact CD-CB 4.04Å; K68-I74 HydrophobicContact CD-CG2 3.61Å; K68-I74 HydrophobicContact CG-CB 4.46Å; K68-I74 HydrophobicContact CG-CG2 4.22Å; K68-I74 PolarHBondContact N-O 3.21Å; K68-H76 HydrophobicContact CG-CB 4.25Å; K68-E221 HydrophobicContact CD-CG 4.48Å; K68-E221 WeakPolarHBondContact CD-OE1 3.46Å; K68-E221 WeakPolarHBondContact CE-OE1 3.39Å; K68-E221 IonicContact NZ-OE1 3.67Å; K68-E221 PolarHBondContact NZ-OE1 3.11Å; K68-E221 IonicContact NZ-OE2 2.68Å; K68-E221 PolarHBondContact NZ-OE2 2.89Å
69	E	96.8	Very high	98.5	Very high	172 Å²	172	56 Å²	56	80%	0.804	28%	0.28	S	S	*	.	S	Bend	trans	-81.1	-39.6	179.8	-70	-173.3	175.9	0	0	112.9	K72	E69-K72 WeakPolarHBondContact O-CE 3.23Å
70	D	96.8	Very high	98.5	Very high	126 Å²	126	51.3 Å²	51.3	67%	0.674	26%	0.257	S	S	*	.	S	Bend	trans	-73.6	-31.7	178.3	57.2	-43.8	0	0	0	113.2	K68	K68-D70 WeakPolarHBondContact CB-OD1 3.46Å; K68-D70 WeakPolarHBondContact CE-OD1 3.43Å; K68-D70 IonicContact NZ-OD2 4Å
71	D	97.7	Very high	98.4	Very high	20 Å²	20	53 Å²	53	11%	0.107	28%	0.276	C	S	.	.			trans	-139.3	102.1	175.7	-173	-11.6	0	0	0	111.8	L73 I74 R223	D71-L73 PolarHBondContact O-N 2.81Å; D71-L73 VanDerWaalsContact O-N 3.15Å; D71-L73 VanDerWaalsContact OD1-CB 3.25Å; D71-L73 WeakPolarHBondContact OD1-CB 3.41Å; D71-L73 PolarHBondContact OD1-N 2.82Å; D71-I74 HydrophobicContact CB-CB 4.47Å; D71-I74 HydrophobicContact CB-CD1 4.05Å; D71-I74 HydrophobicContact CB-CG1 4.2Å; D71-I74 PolarHBondContact O-N 3.08Å; D71-I74 WeakPolarHBondContact OD2-CD1 3.12Å; D71-I74 WeakPolarHBondContact OD2-CG1 2.86Å; D71-R223 IonicContact OD2-CZ 3.75Å; D71-R223 VanDerWaalsContact OD2-CZ 3.29Å; D71-R223 IonicContact OD2-NE 3.52Å; D71-R223 PolarHBondContact OD2-NE 2.73Å; D71-R223 VanDerWaalsContact OD2-NE 3.13Å; D71-R223 IonicContact OD2-NH2 2.77Å; D71-R223 PolarHBondContact OD2-NH2 3.08Å
72	K	98.3	Very high	98.4	Very high	85 Å²	85	55.1 Å²	55.1	37%	0.37	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-2.9	-178.5	-61	-70.1	168.3	-167.7	0	114.2	L52 S55 V67 K68 E69	L52-K72 HydrophobicContact CD2-CB 3.61Å; S55-K72 WeakPolarHBondContact CB-O 3.43Å; S55-K72 PolarHBondContact OG-O 3.17Å; S55-K72 VanDerWaalsContact OG-O 3.11Å; V67-K72 HydrophobicContact CG1-CB 4.43Å; V67-K72 HydrophobicContact CG1-CD 4.13Å; K68-K72 VanDerWaalsContact O-CD 3.3Å; K68-K72 WeakPolarHBondContact O-CD 3.3Å; K68-K72 WeakPolarHBondContact O-CE 3.47Å; K68-K72 PolarHBondContact O-NZ 3.31Å; K68-K72 VanDerWaalsContact O-NZ 3.17Å; E69-K72 WeakPolarHBondContact O-CE 3.23Å
73	L	98.8	Very high	98.4	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.4	170.4	-55.5	-173.6	0	0	0	112.2	Y48 Q51 L52 W56 D71 R223 M224	Y48-L73 HydrophobicContact CD2-CD1 4.33Å; Y48-L73 HydrophobicContact CE2-CD1 3.77Å; Y48-L73 HydrophobicContact CE2-CG 4.09Å; Q51-L73 HydrophobicContact CB-CD1 4.4Å; Q51-L73 HydrophobicContact CB-CD2 4.13Å; L52-L73 HydrophobicContact CD2-CD2 3.96Å; L52-L73 HydrophobicContact CD2-CG 4.49Å; W56-L73 VanDerWaalsContact CD1-O 3.24Å; W56-L73 PolarHBondContact NE1-O 3.49Å; D71-L73 PolarHBondContact O-N 2.81Å; D71-L73 VanDerWaalsContact O-N 3.15Å; D71-L73 VanDerWaalsContact OD1-CB 3.25Å; D71-L73 WeakPolarHBondContact OD1-CB 3.41Å; D71-L73 PolarHBondContact OD1-N 2.82Å; L73-R223 HydrophobicContact CB-CG 3.87Å; L73-R223 CarbonylContact O-C 3.36Å; L73-R223 VanDerWaalsContact O-CA 3.3Å; L73-R223 WeakPolarHBondContact O-CA 3.28Å; L73-M224 PolarHBondContact O-N 3.03Å
74	I	98.9	Very high	98.4	Very high	16 Å²	16	47.9 Å²	47.9	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.4	-177.8	-58.9	178.2	0	0	0	110.1	K68 D71 E221 I222 R223	K68-I74 HydrophobicContact CD-CB 4.04Å; K68-I74 HydrophobicContact CD-CG2 3.61Å; K68-I74 HydrophobicContact CG-CB 4.46Å; K68-I74 HydrophobicContact CG-CG2 4.22Å; K68-I74 PolarHBondContact N-O 3.21Å; D71-I74 HydrophobicContact CB-CB 4.47Å; D71-I74 HydrophobicContact CB-CD1 4.05Å; D71-I74 HydrophobicContact CB-CG1 4.2Å; D71-I74 PolarHBondContact O-N 3.08Å; D71-I74 WeakPolarHBondContact OD2-CD1 3.12Å; D71-I74 WeakPolarHBondContact OD2-CG1 2.86Å; I74-E221 HydrophobicContact CG2-CB 3.77Å; I74-E221 HydrophobicContact CG2-CG 4.19Å; I74-I222 WeakPolarHBondContact CA-O 3.38Å; I74-R223 HydrophobicContact CD1-CB 4.49Å; I74-R223 HydrophobicContact CG1-CB 3.77Å; I74-R223 HydrophobicContact CG1-CG 3.81Å
75	F	98.9	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	152.5	158.9	80.8	-96.4	0	0	0	110.9	W56 V65 F66 V67 I87 V213 E221 I222	W56-F75 AromaticContact CD1-CD1 3.74Å; W56-F75 AromaticContact CD2-CD1 3.99Å; W56-F75 HydrophobicContact CD2-CD1 3.99Å; W56-F75 HydrophobicContact CD2-CE1 4.46Å; W56-F75 AromaticContact CE2-CD1 3.68Å; W56-F75 AromaticContact CE2-CE1 3.95Å; W56-F75 HydrophobicContact CG-CD1 4.03Å; W56-F75 HydrophobicContact CZ2-CD1 4.26Å; W56-F75 HydrophobicContact CZ2-CE1 4.05Å; W56-F75 AromaticContact NE1-CD1 3.49Å; V65-F75 HydrophobicContact CB-CD2 3.86Å; V65-F75 HydrophobicContact CB-CE2 4.29Å; V65-F75 HydrophobicContact CG1-CD2 4.04Å; V65-F75 HydrophobicContact CG1-CE2 3.96Å; F66-F75 CarbonylContact O-C 3.47Å; F66-F75 VanDerWaalsContact O-CA 3.22Å; F66-F75 WeakPolarHBondContact O-CA 3.46Å; F66-F75 WeakPolarHBondContact O-CB 3.24Å; V67-F75 HydrophobicContact CG2-CB 4.45Å; F75-I87 HydrophobicContact CB-CD1 4.2Å; F75-I87 HydrophobicContact CD1-CG2 3.39Å; F75-I87 HydrophobicContact CD2-CG2 4.26Å; F75-I87 HydrophobicContact CE1-CG2 3.33Å; F75-I87 HydrophobicContact CE2-CG2 4.23Å; F75-I87 HydrophobicContact CG-CG2 3.86Å; F75-I87 HydrophobicContact CZ-CG2 3.78Å; F75-V213 HydrophobicContact CE1-CG2 3.4Å; F75-V213 VanDerWaalsContact CE1-CG2 3.4Å; F75-V213 HydrophobicContact CZ-CG2 3.51Å; F75-E221 VanDerWaalsContact O-CA 3.31Å; F75-E221 WeakPolarHBondContact O-CA 3.26Å; F75-I222 HydrophobicContact CD1-CB 4.14Å; F75-I222 HydrophobicContact CE1-CB 3.54Å; F75-I222 HydrophobicContact CE1-CD1 4.1Å; F75-I222 HydrophobicContact CE1-CG1 4.08Å; F75-I222 HydrophobicContact CE1-CG2 4.13Å; F75-I222 HydrophobicContact CE2-CD1 3.7Å; F75-I222 HydrophobicContact CZ-CB 3.83Å; F75-I222 HydrophobicContact CZ-CD1 3.43Å; F75-I222 VanDerWaalsContact CZ-CD1 3.43Å; F75-I222 HydrophobicContact CZ-CG1 3.84Å; F75-I222 PolarHBondContact N-O 3.22Å; F75-I222 PolarHBondContact O-N 3.47Å; F75-I222 VanDerWaalsContact O-N 3.1Å
76	H	98.9	Very high	98.4	Very high	25 Å²	25	46 Å²	46	12%	0.116	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140	174.8	-179.8	96	0	0	0	109.9	V65 F66 K68 H219 C220 E221	V65-H76 CarbonylContact C-O 3.58Å; V65-H76 VanDerWaalsContact CA-O 3.23Å; V65-H76 WeakPolarHBondContact CA-O 3.31Å; F66-H76 HydrophobicContact CD1-CB 4.47Å; F66-H76 HydrophobicContact CD2-CB 4.48Å; F66-H76 HydrophobicContact CE1-CB 3.94Å; F66-H76 AromaticContact CE1-CD2 3.42Å; F66-H76 VanDerWaalsContact CE1-CD2 3.42Å; F66-H76 WeakPolarHBondContact CE1-CD2 3.49Å; F66-H76 AromaticContact CE1-CG 3.94Å; F66-H76 HydrophobicContact CE2-CB 3.94Å; F66-H76 HydrophobicContact CZ-CB 3.64Å; F66-H76 AromaticContact CZ-CD2 3.61Å; F66-H76 AromaticContact CZ-CG 3.74Å; F66-H76 PolarHBondContact N-O 2.79Å; F66-H76 PolarHBondContact O-N 2.77Å; K68-H76 HydrophobicContact CG-CB 4.25Å; H76-H219 VanDerWaalsContact CE1-CA 3.49Å; H76-H219 WeakPolarHBondContact CE1-CA 3.45Å; H76-H219 AromaticContact CE1-ND1 3.73Å; H76-H219 AromaticContact NE2-ND1 3.59Å; H76-C220 WeakPolarHBondContact CA-O 3.31Å; H76-E221 HydrophobicContact CB-CG 4.36Å; H76-E221 IonicContact ND1-OE1 3.37Å
77	R	98.9	Very high	98.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.7	174.1	-177	174.1	173.5	-74.2	-8.3	112.2	V65 V80 S83 D85 A215 V216 W217 H219 C220	V65-R77 HydrophobicContact CG1-CB 3.89Å; V65-R77 HydrophobicContact CG1-CG 3.88Å; R77-V80 PolarHBondContact NH2-O 3.44Å; R77-S83 PolarHBondContact NH2-O 2.81Å; R77-D85 IonicContact CZ-OD2 3.27Å; R77-D85 VanDerWaalsContact CZ-OD2 3.28Å; R77-D85 IonicContact NE-OD2 3.29Å; R77-D85 PolarHBondContact NE-OD2 2.89Å; R77-D85 IonicContact NH2-OD2 2.84Å; R77-D85 PolarHBondContact NH2-OD2 3Å; R77-A215 PolarHBondContact NE-O 2.9Å; R77-V216 VanDerWaalsContact NH1-C 3.33Å; R77-V216 PolarHBondContact NH1-O 2.91Å; R77-W217 WeakPolarHBondContact CD-O 3.39Å; R77-W217 PolarHBondContact NH1-O 2.75Å; R77-H219 VanDerWaalsContact O-CA 3.28Å; R77-H219 WeakPolarHBondContact O-CA 3.43Å; R77-H219 PolarHBondContact O-N 3.4Å; R77-C220 VanDerWaalsContact CB-SG 3.55Å; R77-C220 PolarHBondContact N-O 3.02Å
78	H	98.8	Very high	98.4	Very high	83 Å²	83	43 Å²	43	38%	0.384	23%	0.226	S	C	.	.			trans	-62.6	148	170.9	-70.5	-63.6	0	0	0	111.5	N64 F66 V80	N64-H78 WeakPolarHBondContact O-CB 2.89Å; N64-H78 PolarHBondContact O-CD2 3.18Å; N64-H78 PolarHBondContact O-N 2.86Å; F66-H78 AromaticContact CD1-CE1 3.77Å; F66-H78 AromaticContact CD1-NE2 3.41Å; F66-H78 WeakPolarHBondContact CD1-NE2 3.07Å; F66-H78 AromaticContact CE1-CE1 3.44Å; F66-H78 VanDerWaalsContact CE1-CE1 3.44Å; F66-H78 WeakPolarHBondContact CE1-CE1 3.11Å; F66-H78 AromaticContact CE1-NE2 3.6Å; H78-V80 HydrophobicContact CB-CG2 3.95Å; H78-V80 PolarHBondContact O-N 2.89Å
79	P	98.4	Very high	98.4	Very high	76 Å²	76	41.4 Å²	41.4	49%	0.494	22%	0.219	S	C	.	.			trans	-76.5	60.7	-178.8	35.5	-39.7	0	0	0	112.4	H219	P79-H219 WeakPolarHBondContact CG-NE2 3.47Å
80	V	98.4	Very high	98.5	Very high	53 Å²	53	37.5 Å²	37.5	32%	0.321	20%	0.2	S	C	.	.			trans	-86.8	120.6	179.4	-173.6	0	0	0	0	109.2	N64 R77 H78	N64-V80 HydrophobicContact CB-CG2 4.04Å; R77-V80 PolarHBondContact NH2-O 3.44Å; H78-V80 HydrophobicContact CB-CG2 3.95Å; H78-V80 PolarHBondContact O-N 2.89Å
81	A	97.6	Very high	98.6	Very high	73 Å²	73	33.7 Å²	33.7	60%	0.603	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	150.2	177.6	0	0	0	0	0	111.4	S83	A81-S83 PolarHBondContact O-N 3.46Å
82	Q	97.9	Very high	98.7	Very high	115 Å²	115	33.4 Å²	33.4	54%	0.537	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	44.7	178	-62.2	-62.3	-31.9	0	0	112.6	G128 Y129	Q82-G128 WeakPolarHBondContact O-CA 3.41Å; Q82-G128 PolarHBondContact O-N 3.19Å; Q82-Y129 VanDerWaalsContact N-CZ 3.34Å; Q82-Y129 PolarHBondContact N-OH 2.91Å; Q82-Y129 VanDerWaalsContact N-OH 3.13Å
83	S	98.7	Very high	98.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.6	-179.7	-178.9	0	0	0	0	110	N64 R77 A81 D85 H125 G128	N64-S83 PolarHBondContact ND2-OG 2.74Å; R77-S83 PolarHBondContact NH2-O 2.81Å; A81-S83 PolarHBondContact O-N 3.46Å; S83-D85 WeakPolarHBondContact CB-OD2 3.34Å; S83-D85 PolarHBondContact OG-OD1 3.43Å; S83-D85 PolarHBondContact OG-OD2 3.01Å; S83-H125 PolarHBondContact OG-CE1 3.4Å; S83-H125 PolarHBondContact OG-ND1 3.29Å; S83-G128 CarbonylContact C-O 3.52Å
84	T	98.9	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.3	166.9	-53.7	0	0	0	0	108.1	H125 S126 G128 T130 L132 V216	T84-H125 WeakPolarHBondContact O-CA 3.46Å; T84-H125 PolarHBondContact O-ND1 2.86Å; T84-S126 PolarHBondContact N-O 2.8Å; T84-S126 PolarHBondContact O-N 2.91Å; T84-G128 PolarHBondContact N-O 3.22Å; T84-G128 PolarHBondContact OG1-O 3.43Å; T84-T130 WeakPolarHBondContact CG2-O 3.13Å; T84-T130 PolarHBondContact OG1-N 3.09Å; T84-T130 PolarHBondContact OG1-OG1 2.91Å; T84-L132 HydrophobicContact CG2-CB 3.52Å; T84-L132 HydrophobicContact CG2-CD2 4.11Å; T84-L132 HydrophobicContact CG2-CG 4.48Å; T84-V216 HydrophobicContact CG2-CG1 3.97Å
85	D	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.7	-168.4	-58.6	-75	0	0	0	110.8	S62 N64 V65 R77 S83 H125 S214 A215	S62-D85 PolarHBondContact OG-OD1 3.34Å; N64-D85 HydrophobicContact CB-CB 4.47Å; N64-D85 WeakPolarHBondContact CB-OD1 3.46Å; N64-D85 PolarHBondContact ND2-OD1 3.42Å; V65-D85 HydrophobicContact CG1-CB 3.82Å; R77-D85 IonicContact CZ-OD2 3.27Å; R77-D85 VanDerWaalsContact CZ-OD2 3.28Å; R77-D85 IonicContact NE-OD2 3.29Å; R77-D85 PolarHBondContact NE-OD2 2.89Å; R77-D85 IonicContact NH2-OD2 2.84Å; R77-D85 PolarHBondContact NH2-OD2 3Å; S83-D85 WeakPolarHBondContact CB-OD2 3.34Å; S83-D85 PolarHBondContact OG-OD1 3.43Å; S83-D85 PolarHBondContact OG-OD2 3.01Å; D85-H125 IonicContact OD1-CE1 2.72Å; D85-H125 IonicContact OD1-ND1 3.41Å; D85-H125 PolarHBondContact OD1-ND1 2.83Å; D85-S214 CarbonylContact O-C 3.57Å; D85-S214 WeakPolarHBondContact O-CA 3.42Å; D85-A215 PolarHBondContact N-O 3.25Å; D85-A215 PolarHBondContact O-N 3.33Å
86	A	98.9	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	164.3	-178	0	0	0	0	0	112.2	S62 L124 L132 V212 V213	S62-A86 PolarHBondContact N-O 2.82Å; A86-L124 HydrophobicContact CB-CB 4.27Å; A86-L124 HydrophobicContact CB-CD2 3.84Å; A86-L124 PolarHBondContact N-O 2.99Å; A86-L132 HydrophobicContact CB-CD2 3.93Å; A86-V212 HydrophobicContact CB-CG2 4.33Å; A86-V213 WeakPolarHBondContact CA-O 3.47Å; A86-V213 WeakPolarHBondContact CB-O 3.12Å
87	I	98.9	Very high	98.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	140.6	177.7	179.1	161.8	0	0	0	109	W56 R61 V65 V67 F75 V212 V213	W56-I87 HydrophobicContact CB-CD1 3.83Å; W56-I87 HydrophobicContact CB-CG1 4.28Å; W56-I87 HydrophobicContact CD2-CG2 4.26Å; W56-I87 HydrophobicContact CE3-CG1 4.29Å; W56-I87 HydrophobicContact CE3-CG2 4.03Å; W56-I87 HydrophobicContact CG-CD1 4.42Å; W56-I87 HydrophobicContact CZ3-CG2 4.42Å; R61-I87 HydrophobicContact CB-CB 3.95Å; R61-I87 HydrophobicContact CB-CD1 3.74Å; R61-I87 HydrophobicContact CB-CG1 3.73Å; V65-I87 HydrophobicContact CG2-CB 4.12Å; V65-I87 HydrophobicContact CG2-CD1 4.37Å; V67-I87 HydrophobicContact CG2-CD1 3.85Å; F75-I87 HydrophobicContact CB-CD1 4.2Å; F75-I87 HydrophobicContact CD1-CG2 3.39Å; F75-I87 HydrophobicContact CD2-CG2 4.26Å; F75-I87 HydrophobicContact CE1-CG2 3.33Å; F75-I87 HydrophobicContact CE2-CG2 4.23Å; F75-I87 HydrophobicContact CG-CG2 3.86Å; F75-I87 HydrophobicContact CZ-CG2 3.78Å; I87-V212 WeakPolarHBondContact O-CA 3.4Å; I87-V212 WeakPolarHBondContact O-CG2 3.41Å; I87-V213 HydrophobicContact CG2-CG2 4.31Å; I87-V213 PolarHBondContact N-O 2.94Å
88	R	98.9	Very high	98.4	Very high	14 Å²	14	39.2 Å²	39.2	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	154.7	175.5	-83.7	-179.1	-70	-108.4	-2.9	111.8	N57 D60 T119 A120 A122 L124 P211 V212	N57-R88 WeakPolarHBondContact CB-O 3.1Å; N57-R88 PolarHBondContact N-O 2.9Å; D60-R88 PolarHBondContact O-N 2.85Å; D60-R88 VanDerWaalsContact O-N 3.17Å; D60-R88 IonicContact OD1-CZ 3.13Å; D60-R88 IonicContact OD1-NE 3.84Å; D60-R88 PolarHBondContact OD1-NE 3.36Å; D60-R88 IonicContact OD1-NH2 3.5Å; D60-R88 PolarHBondContact OD1-NH2 2.8Å; D60-R88 WeakPolarHBondContact OD2-CB 3.44Å; D60-R88 IonicContact OD2-CZ 2.75Å; D60-R88 IonicContact OD2-NE 3.91Å; D60-R88 PolarHBondContact OD2-NE 3.01Å; D60-R88 IonicContact OD2-NH2 3.25Å; R88-T119 PolarHBondContact NH1-O 3.35Å; R88-A120 VanDerWaalsContact CZ-O 3.26Å; R88-A120 PolarHBondContact NH1-O 3.3Å; R88-A120 VanDerWaalsContact NH1-O 3.15Å; R88-A120 PolarHBondContact NH2-O 3.16Å; R88-A122 PolarHBondContact NH1-O 3.28Å; R88-L124 HydrophobicContact CG-CD2 4.17Å; R88-P211 CarbonylContact C-O 3.6Å; R88-P211 VanDerWaalsContact CA-O 3.26Å; R88-P211 WeakPolarHBondContact CA-O 3.12Å; R88-V212 HydrophobicContact CG-CB 4.13Å; R88-V212 HydrophobicContact CG-CG2 3.97Å
89	G	98.9	Very high	98.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	159.6	163.9	0	0	0	0	0	111.5	S55 Y210 P211	S55-G89 CarbonylContact O-C 3.56Å; S55-G89 WeakPolarHBondContact O-CA 3.29Å; G89-Y210 WeakPolarHBondContact O-CD1 3.13Å; G89-P211 PolarHBondContact N-O 2.84Å
90	K	98.8	Very high	98.4	Very high	91 Å²	91	31.8 Å²	31.8	40%	0.396	17%	0.169	S	C	.	.	S	Bend	trans	-67.3	-36.5	179.6	-69.9	168.8	-174.4	167.4	0	113.5	L52 L53 S55 W56 N57	L52-K90 PolarHBondContact O-NZ 3Å; L53-K90 WeakPolarHBondContact O-CB 3.17Å; S55-K90 WeakPolarHBondContact O-CG 3.49Å; S55-K90 PolarHBondContact O-N 2.82Å; S55-K90 PolarHBondContact OG-NZ 3.02Å; W56-K90 VanDerWaalsContact O-CE 3.28Å; W56-K90 WeakPolarHBondContact O-CE 3.2Å; N57-K90 HydrophobicContact CB-CB 4.47Å; N57-K90 HydrophobicContact CB-CG 3.76Å
91	V	98.7	Very high	98.4	Very high	46 Å²	46	31.1 Å²	31.1	28%	0.279	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-97.4	126.6	-174.1	-178.4	0	0	0	0	110.2	L53 Y93 P211	L53-V91 WeakPolarHBondContact O-CG2 3.41Å; V91-Y93 HydrophobicContact CB-CE1 4.15Å; V91-Y93 HydrophobicContact CG1-CD1 3.85Å; V91-Y93 HydrophobicContact CG1-CE1 3.55Å; V91-P211 WeakPolarHBondContact O-CD 3.32Å
92	G	98.6	Very high	98.5	Very high	13 Å²	13	27.7 Å²	27.7	13%	0.134	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-99.7	119.6	168.8	0	0	0	0	0	110.1	K208 L209 Y210	G92-K208 WeakPolarHBondContact O-CE 3.46Å; G92-L209 CarbonylContact C-O 3.42Å; G92-L209 WeakPolarHBondContact CA-O 3.25Å; G92-Y210 VanDerWaalsContact CA-CD1 3.44Å; G92-Y210 VanDerWaalsContact CA-CE1 3.42Å; G92-Y210 VanDerWaalsContact N-CE1 3.26Å
93	Y	98.6	Very high	98.5	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.035	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-87.2	141.9	-175.8	-51.1	-72.1	0	0	0	111.3	H54 V91 H98 W100 L181 K208 L209 P211 Y226	H54-Y93 AromaticContact CE1-CE1 3.75Å; H54-Y93 AromaticContact ND1-CE1 3.57Å; H54-Y93 AromaticContact ND1-CZ 3.6Å; H54-Y93 PolarHBondContact ND1-OH 2.95Å; V91-Y93 HydrophobicContact CB-CE1 4.15Å; V91-Y93 HydrophobicContact CG1-CD1 3.85Å; V91-Y93 HydrophobicContact CG1-CE1 3.55Å; Y93-H98 HydrophobicContact CD1-CB 4.46Å; Y93-H98 AromaticContact CD1-CD2 3.48Å; Y93-H98 VanDerWaalsContact CD1-CD2 3.48Å; Y93-H98 WeakPolarHBondContact CD1-CD2 3.42Å; Y93-H98 AromaticContact CD1-CE1 3.39Å; Y93-H98 WeakPolarHBondContact CD1-CE1 3.31Å; Y93-H98 AromaticContact CD1-CG 3.57Å; Y93-H98 AromaticContact CD1-ND1 3.52Å; Y93-H98 AromaticContact CD1-NE2 3.33Å; Y93-H98 VanDerWaalsContact CD1-NE2 3.33Å; Y93-H98 WeakPolarHBondContact CD1-NE2 3.4Å; Y93-H98 HydrophobicContact CE1-CB 4.41Å; Y93-H98 AromaticContact CE1-CE1 3.77Å; Y93-H98 AromaticContact CE1-CG 3.78Å; Y93-H98 AromaticContact CE1-ND1 3.52Å; Y93-H98 HydrophobicContact CE2-CB 4.49Å; Y93-H98 AromaticContact CG-CD2 3.56Å; Y93-H98 AromaticContact CG-CG 3.88Å; Y93-H98 AromaticContact CG-NE2 3.79Å; Y93-W100 HydrophobicContact CD2-CZ3 4.36Å; Y93-W100 HydrophobicContact CE2-CE3 4.37Å; Y93-W100 HydrophobicContact CE2-CH2 4.48Å; Y93-W100 AromaticContact CE2-CZ3 3.9Å; Y93-W100 HydrophobicContact CE2-CZ3 3.9Å; Y93-L181 HydrophobicContact CD2-CD2 3.77Å; Y93-L181 HydrophobicContact CG-CD2 4.3Å; Y93-K208 WeakPolarHBondContact O-CA 3.48Å; Y93-L209 WeakPolarHBondContact CD2-O 3.43Å; Y93-L209 PolarHBondContact N-O 2.99Å; Y93-L209 PolarHBondContact O-N 3.05Å; Y93-P211 HydrophobicContact CE2-CG 3.78Å; Y93-Y226 HydrophobicContact CE1-CE2 4.21Å; Y93-Y226 AromaticContact CZ-CE2 3.98Å; Y93-Y226 WeakPolarHBondContact OH-CD2 3.42Å; Y93-Y226 WeakPolarHBondContact OH-CE2 3.47Å
94	T	97.9	Very high	98.5	Very high	82 Å²	82	24 Å²	24	50%	0.503	12%	0.119	S	C	.	.			trans	-127.7	-15.6	-177.9	51.8	0	0	0	0	113.7	K208	T94-K208 HydrophobicContact CG2-CB 3.73Å; T94-K208 HydrophobicContact CG2-CD 4.32Å; T94-K208 HydrophobicContact CG2-CG 3.76Å
95	R	96.6	Very high	98.5	Very high	142 Å²	142	24.8 Å²	24.8	54%	0.536	13%	0.125	S	C	.	.	S	Bend	trans	-156.2	166.7	-179	69.5	-179.1	-162.3	-161	3.9	108.6	H98 M183 D231 P232	R95-H98 PolarHBondContact O-NE2 3.04Å; R95-M183 VanDerWaalsContact CA-CB 3.47Å; R95-D231 IonicContact CZ-OD1 2.81Å; R95-D231 IonicContact NE-OD1 3.67Å; R95-D231 PolarHBondContact NE-OD1 2.82Å; R95-D231 IonicContact NH2-OD1 3.22Å; R95-D231 PolarHBondContact NH2-OD1 3.44Å; R95-P232 HydrophobicContact CB-CG 4.43Å
96	G	96.5	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	83.1	170.6	176.4	0	0	0	0	0	114.1	M183 D184 L230	G96-M183 PolarHBondContact O-N 3.31Å; G96-D184 VanDerWaalsContact CA-OD2 3.26Å; G96-D184 WeakPolarHBondContact CA-OD2 3.44Å; G96-D184 VanDerWaalsContact N-CG 3.33Å; G96-D184 PolarHBondContact N-OD1 3.23Å; G96-D184 PolarHBondContact N-OD2 3.26Å; G96-L230 CarbonylContact C-O 3.41Å; G96-L230 WeakPolarHBondContact CA-O 3.3Å
97	L	97.9	Very high	98.3	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.2	172.2	176.5	66.7	0	0	0	109	R36 L37 L40 V180 L181 D182 G229 L230	R36-L97 HydrophobicContact CB-CD2 4.06Å; L37-L97 HydrophobicContact CB-CD2 4.2Å; L37-L97 HydrophobicContact CD1-CD2 4.5Å; L40-L97 HydrophobicContact CB-CD2 4.41Å; L40-L97 HydrophobicContact CD1-CB 4.29Å; L40-L97 HydrophobicContact CD1-CD2 3.76Å; L40-L97 HydrophobicContact CD1-CG 3.73Å; L97-V180 HydrophobicContact CD1-CG1 3.64Å; L97-L181 CarbonylContact C-O 3.39Å; L97-D182 HydrophobicContact CD1-CB 3.73Å; L97-G229 CarbonylContact O-C 3.59Å; L97-G229 WeakPolarHBondContact O-CA 3.3Å; L97-L230 HydrophobicContact CB-CB 4.4Å; L97-L230 PolarHBondContact N-O 3.11Å; L97-L230 PolarHBondContact O-N 3.39Å
98	H	98.6	Very high	98.3	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.4	-177.1	-62.9	-74.2	0	0	0	110.8	Y93 R95 W100 L181 Y226	Y93-H98 HydrophobicContact CD1-CB 4.46Å; Y93-H98 AromaticContact CD1-CD2 3.48Å; Y93-H98 VanDerWaalsContact CD1-CD2 3.48Å; Y93-H98 WeakPolarHBondContact CD1-CD2 3.42Å; Y93-H98 AromaticContact CD1-CE1 3.39Å; Y93-H98 WeakPolarHBondContact CD1-CE1 3.31Å; Y93-H98 AromaticContact CD1-CG 3.57Å; Y93-H98 AromaticContact CD1-ND1 3.52Å; Y93-H98 AromaticContact CD1-NE2 3.33Å; Y93-H98 VanDerWaalsContact CD1-NE2 3.33Å; Y93-H98 WeakPolarHBondContact CD1-NE2 3.4Å; Y93-H98 HydrophobicContact CE1-CB 4.41Å; Y93-H98 AromaticContact CE1-CE1 3.77Å; Y93-H98 AromaticContact CE1-CG 3.78Å; Y93-H98 AromaticContact CE1-ND1 3.52Å; Y93-H98 HydrophobicContact CE2-CB 4.49Å; Y93-H98 AromaticContact CG-CD2 3.56Å; Y93-H98 AromaticContact CG-CG 3.88Å; Y93-H98 AromaticContact CG-NE2 3.79Å; R95-H98 PolarHBondContact O-NE2 3.04Å; H98-W100 HydrophobicContact CB-CE3 4.4Å; H98-W100 HydrophobicContact CB-CZ3 4.07Å; H98-L181 PolarHBondContact N-O 3.38Å; H98-L181 PolarHBondContact O-N 3.38Å; H98-Y226 HydrophobicContact CB-CE2 4.18Å; H98-Y226 AromaticContact ND1-CZ 3.9Å; H98-Y226 PolarHBondContact ND1-OH 2.72Å
99	V	98.8	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.6	177	-174.9	0	0	0	0	110.3	L37 L40 L41 L178 V179 V180 L227 N228	L37-V99 HydrophobicContact CD1-CG2 3.66Å; L40-V99 HydrophobicContact CD1-CG2 4Å; L40-V99 HydrophobicContact CD2-CB 3.85Å; L40-V99 HydrophobicContact CD2-CG2 3.56Å; L40-V99 HydrophobicContact CG-CG2 4.43Å; L41-V99 HydrophobicContact CD2-CG1 4.08Å; V99-L178 HydrophobicContact CG1-CB 4.14Å; V99-L178 HydrophobicContact CG1-CD1 4.22Å; V99-V179 WeakPolarHBondContact CA-O 3.43Å; V99-V180 HydrophobicContact CG1-CG2 4.39Å; V99-V180 HydrophobicContact CG2-CG1 4.24Å; V99-V180 HydrophobicContact CG2-CG2 4.17Å; V99-L227 HydrophobicContact CG1-CB 4.48Å; V99-L227 HydrophobicContact CG1-CD1 4.06Å; V99-L227 PolarHBondContact O-N 2.88Å; V99-N228 PolarHBondContact N-O 3.25Å; V99-N228 PolarHBondContact O-N 3Å
100	W	98.9	Very high	98.2	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.011	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.1	169.2	60.3	93.9	0	0	0	110.8	Y93 H98 V117 L178 V179 L181 P211 M224 R225 Y226	Y93-W100 HydrophobicContact CD2-CZ3 4.36Å; Y93-W100 HydrophobicContact CE2-CE3 4.37Å; Y93-W100 HydrophobicContact CE2-CH2 4.48Å; Y93-W100 AromaticContact CE2-CZ3 3.9Å; Y93-W100 HydrophobicContact CE2-CZ3 3.9Å; H98-W100 HydrophobicContact CB-CE3 4.4Å; H98-W100 HydrophobicContact CB-CZ3 4.07Å; W100-V117 HydrophobicContact CH2-CG1 3.83Å; W100-V117 HydrophobicContact CZ2-CG1 3.94Å; W100-L178 WeakPolarHBondContact O-CA 3.46Å; W100-V179 HydrophobicContact CD2-CB 4.1Å; W100-V179 HydrophobicContact CD2-CG1 4.48Å; W100-V179 HydrophobicContact CG-CB 4.35Å; W100-V179 HydrophobicContact CH2-CG1 4.08Å; W100-V179 HydrophobicContact CZ2-CB 3.89Å; W100-V179 HydrophobicContact CZ2-CG1 3.39Å; W100-V179 PolarHBondContact N-O 2.86Å; W100-V179 VanDerWaalsContact N-O 3.13Å; W100-V179 PolarHBondContact O-N 3.28Å; W100-L181 HydrophobicContact CH2-CB 3.62Å; W100-L181 HydrophobicContact CH2-CD2 4.04Å; W100-L181 HydrophobicContact CH2-CG 4.46Å; W100-L181 HydrophobicContact CZ3-CB 3.69Å; W100-L181 HydrophobicContact CZ3-CD2 4.28Å; W100-P211 HydrophobicContact CD2-CB 4.45Å; W100-P211 HydrophobicContact CD2-CG 4.17Å; W100-P211 HydrophobicContact CE3-CG 4.34Å; W100-P211 HydrophobicContact CH2-CB 4.43Å; W100-P211 HydrophobicContact CH2-CG 4.01Å; W100-P211 HydrophobicContact CZ2-CB 3.77Å; W100-P211 HydrophobicContact CZ2-CG 3.81Å; W100-P211 HydrophobicContact CZ3-CG 4.27Å; W100-M224 HydrophobicContact CB-CG 4.29Å; W100-M224 HydrophobicContact CG-CG 4.26Å; W100-M224 HydrophobicContact CG-SD 4.23Å; W100-R225 CarbonylContact C-O 3.59Å; W100-R225 WeakPolarHBondContact CA-O 3.4Å; W100-Y226 HydrophobicContact CB-CD2 4.36Å
101	Q	98.9	Very high	98.1	Very high	38 Å²	38	42.7 Å²	42.7	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.1	171.9	-179	173.7	62.9	0	0	109.6	F177 L178 M224 R225 L227	Q101-F177 WeakPolarHBondContact CA-O 3.46Å; Q101-L178 HydrophobicContact CB-CD2 3.66Å; Q101-L178 HydrophobicContact CG-CD2 3.98Å; Q101-M224 WeakPolarHBondContact O-CA 3.34Å; Q101-R225 HydrophobicContact CB-CB 4.49Å; Q101-R225 PolarHBondContact N-O 3.23Å; Q101-R225 PolarHBondContact O-N 2.75Å; Q101-L227 HydrophobicContact CB-CD2 4.46Å
102	I	98.9	Very high	98.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.4	163.5	-64.5	-62.8	0	0	0	107.9	W56 W104 V115 S176 F177 V179 V213 I222 R223 M224	W56-I102 HydrophobicContact CH2-CD1 4.08Å; W56-I102 HydrophobicContact CZ2-CD1 3.95Å; I102-W104 HydrophobicContact CG2-CB 4.13Å; I102-V115 HydrophobicContact CG1-CG1 3.93Å; I102-V115 HydrophobicContact CG2-CG2 4.46Å; I102-S176 VanDerWaalsContact O-CA 3.31Å; I102-S176 WeakPolarHBondContact O-CA 3.25Å; I102-F177 HydrophobicContact CB-CE1 4.35Å; I102-F177 HydrophobicContact CB-CE2 4.2Å; I102-F177 HydrophobicContact CB-CZ 3.99Å; I102-F177 HydrophobicContact CG2-CE1 4.17Å; I102-F177 HydrophobicContact CG2-CZ 3.95Å; I102-F177 PolarHBondContact N-O 2.95Å; I102-F177 PolarHBondContact O-N 3.18Å; I102-F177 VanDerWaalsContact O-N 3.11Å; I102-V179 HydrophobicContact CG1-CG2 3.93Å; I102-V213 HydrophobicContact CD1-CG1 4.45Å; I102-I222 HydrophobicContact CG2-CG2 3.93Å; I102-R223 WeakPolarHBondContact CA-O 3.03Å; I102-M224 HydrophobicContact CD1-CB 3.87Å; I102-M224 HydrophobicContact CD1-CG 3.94Å; I102-M224 HydrophobicContact CD1-SD 4.38Å
103	T	98.9	Very high	98.1	Very high	41 Å²	41	41.1 Å²	41.1	25%	0.252	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.8	166.2	-57	0	0	0	0	108.4	D175 S176 R223	T103-D175 CarbonylContact C-O 3.53Å; T103-D175 VanDerWaalsContact CA-O 3.26Å; T103-D175 WeakPolarHBondContact CA-O 3.35Å; T103-S176 WeakPolarHBondContact CG2-OG 3.48Å; T103-S176 PolarHBondContact OG1-OG 3.16Å; T103-R223 PolarHBondContact N-O 3.16Å; T103-R223 PolarHBondContact O-N 3.38Å
104	W	98.7	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	106	-179.8	-171.2	-8.5	0	0	0	109.3	I102 M106 Q108 R109 A113 V115 L144 D175 V213 S214 A215 I222	I102-W104 HydrophobicContact CG2-CB 4.13Å; W104-M106 PolarHBondContact O-N 2.73Å; W104-Q108 PolarHBondContact NE1-O 3.41Å; W104-R109 HydrophobicContact CD2-CG 4.26Å; W104-R109 HydrophobicContact CG-CG 4.25Å; W104-R109 PolarHBondContact O-NE 3.03Å; W104-R109 PolarHBondContact O-NH2 3.04Å; W104-A113 HydrophobicContact CE3-CB 4.37Å; W104-A113 HydrophobicContact CH2-CB 3.46Å; W104-A113 VanDerWaalsContact CH2-CB 3.46Å; W104-A113 HydrophobicContact CZ2-CB 3.64Å; W104-A113 HydrophobicContact CZ3-CB 3.85Å; W104-V115 HydrophobicContact CE3-CG2 4.03Å; W104-V115 HydrophobicContact CZ3-CG2 4.03Å; W104-L144 HydrophobicContact CE3-CD1 4.25Å; W104-D175 PolarHBondContact N-O 3.38Å; W104-V213 HydrophobicContact CZ3-CB 4.2Å; W104-S214 WeakPolarHBondContact CH2-O 3.33Å; W104-A215 HydrophobicContact CH2-CB 3.63Å; W104-A215 HydrophobicContact CZ2-CB 3.58Å; W104-I222 HydrophobicContact CB-CG1 4.19Å; W104-I222 HydrophobicContact CB-CG2 4.26Å; W104-I222 HydrophobicContact CD2-CD1 4.28Å; W104-I222 HydrophobicContact CD2-CG1 3.47Å; W104-I222 VanDerWaalsContact CD2-CG1 3.47Å; W104-I222 HydrophobicContact CE3-CG1 3.92Å; W104-I222 HydrophobicContact CE3-CG2 4.45Å; W104-I222 HydrophobicContact CG-CG1 3.61Å; W104-I222 HydrophobicContact CG-CG2 4.5Å; W104-I222 HydrophobicContact CZ2-CD1 4.27Å; W104-I222 HydrophobicContact CZ2-CG1 4.26Å; W104-I222 HydrophobicContact CZ3-CG1 4.46Å
105	A	98.4	Very high	98.2	Very high	16 Å²	16	36.9 Å²	36.9	13%	0.132	18%	0.179	C	C	.	.			trans	-51.8	126.5	-179.5	0	0	0	0	0	111.4	R107 Q108 D175	A105-R107 HydrophobicContact CB-CG 4.36Å; A105-R107 PolarHBondContact O-N 3.37Å; A105-Q108 HydrophobicContact CB-CB 4.29Å; A105-Q108 HydrophobicContact CB-CG 4.1Å; A105-Q108 WeakPolarHBondContact O-CA 3.38Å; A105-Q108 WeakPolarHBondContact O-CB 3.33Å; A105-Q108 PolarHBondContact O-N 3.36Å; A105-D175 WeakPolarHBondContact CA-OD1 3.43Å
106	M	96.9	Very high	98.3	Very high	99 Å²	99	30.1 Å²	30.1	49%	0.488	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-53.8	-41.5	-176.6	-174.9	-175.2	178.4	0	0	112	W104 Q108 R109 I172 D175	W104-M106 PolarHBondContact O-N 2.73Å; M106-Q108 PolarHBondContact O-N 2.9Å; M106-Q108 VanDerWaalsContact O-N 3.13Å; M106-R109 PolarHBondContact O-N 3.02Å; M106-I172 HydrophobicContact CE-CG2 3.66Å; M106-I172 HydrophobicContact SD-CG2 3.79Å; M106-D175 PolarHBondContact N-OD1 3.48Å
107	R	97.6	Very high	98.4	Very high	206 Å²	206	30.1 Å²	30.1	78%	0.777	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-65.8	-9.8	177.1	69.1	-177	178.6	-131.2	-0.7	115	A105	A105-R107 HydrophobicContact CB-CG 4.36Å; A105-R107 PolarHBondContact O-N 3.37Å
108	Q	98.4	Very high	98.4	Very high	41 Å²	41	30 Å²	30	19%	0.192	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-111.6	17.2	-179.3	-63.9	-174.3	-15.5	0	0	113	W104 A105 M106 W217 C220	W104-Q108 PolarHBondContact NE1-O 3.41Å; A105-Q108 HydrophobicContact CB-CB 4.29Å; A105-Q108 HydrophobicContact CB-CG 4.1Å; A105-Q108 WeakPolarHBondContact O-CA 3.38Å; A105-Q108 WeakPolarHBondContact O-CB 3.33Å; A105-Q108 PolarHBondContact O-N 3.36Å; M106-Q108 PolarHBondContact O-N 2.9Å; M106-Q108 VanDerWaalsContact O-N 3.13Å; Q108-W217 HydrophobicContact CB-CG 4.42Å; Q108-W217 WeakPolarHBondContact O-CB 3.18Å; Q108-C220 HydrophobicContact CB-CB 3.81Å; Q108-C220 WeakPolarHBondContact O-CB 3.47Å
109	R	98.2	Very high	98.5	Very high	17 Å²	17	29.7 Å²	29.7	6%	0.064	15%	0.153	C	C	.	.			trans	-87.9	-36.5	-177.8	-71.5	-179.1	-171.4	165.4	6.1	113.3	W104 M106 A113 V173 P174	W104-R109 HydrophobicContact CD2-CG 4.26Å; W104-R109 HydrophobicContact CG-CG 4.25Å; W104-R109 PolarHBondContact O-NE 3.03Å; W104-R109 PolarHBondContact O-NH2 3.04Å; M106-R109 PolarHBondContact O-N 3.02Å; R109-A113 HydrophobicContact CB-CB 3.55Å; R109-A113 HydrophobicContact CG-CB 3.77Å; R109-V173 PolarHBondContact NH1-O 2.92Å; R109-V173 PolarHBondContact NH2-O 2.8Å; R109-V173 VanDerWaalsContact NH2-O 3.16Å; R109-P174 PolarHBondContact NH2-O 3.39Å
110	G	96.9	Very high	98.4	Very high	37 Å²	37	32 Å²	32	38%	0.381	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-150.4	-176.9	0	0	0	0	0	112.9	W217	G110-W217 VanDerWaalsContact CA-CE3 3.43Å
111	T	97.7	Very high	98.4	Very high	81 Å²	81	38.2 Å²	38.2	50%	0.497	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-22.3	-173.4	57.5	0	0	0	0	114	R146	T111-R146 PolarHBondContact O-NH1 2.53Å; T111-R146 PolarHBondContact O-NH2 3.14Å
112	H	98.3	Very high	98.4	Very high	24 Å²	24	36.7 Å²	36.7	11%	0.111	20%	0.199	C	C	.	.			trans	-144.1	106	-179.3	-57.9	84	0	0	0	109.2	Y129 T130 T131 R146 V216	H112-Y129 PolarHBondContact CE1-O 3.16Å; H112-Y129 VanDerWaalsContact CE1-O 3.26Å; H112-T130 WeakPolarHBondContact CB-O 3.45Å; H112-T130 VanDerWaalsContact CD2-C 3.42Å; H112-T131 PolarHBondContact CD2-N 3.27Å; H112-T131 PolarHBondContact CD2-OG1 3.27Å; H112-R146 PolarHBondContact CD2-NH1 3.29Å; H112-R146 PolarHBondContact CE1-NH2 3.11Å; H112-R146 PolarHBondContact NE2-NH1 3.39Å; H112-R146 PolarHBondContact NE2-NH2 3.35Å; H112-V216 HydrophobicContact CB-CG1 3.97Å; H112-V216 HydrophobicContact CB-CG2 4.29Å
113	A	98.7	Very high	98.4	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	105.1	174.6	0	0	0	0	0	108.1	W104 R109 D143 L144	W104-A113 HydrophobicContact CE3-CB 4.37Å; W104-A113 HydrophobicContact CH2-CB 3.46Å; W104-A113 VanDerWaalsContact CH2-CB 3.46Å; W104-A113 HydrophobicContact CZ2-CB 3.64Å; W104-A113 HydrophobicContact CZ3-CB 3.85Å; R109-A113 HydrophobicContact CB-CB 3.55Å; R109-A113 HydrophobicContact CG-CB 3.77Å; A113-D143 WeakPolarHBondContact O-CA 3.39Å; A113-L144 HydrophobicContact CB-CD1 4.46Å; A113-L144 WeakPolarHBondContact O-CG 3.43Å; A113-L144 PolarHBondContact O-N 2.89Å
114	V	98.9	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.9	-171.3	-166.3	0	0	0	0	109.8	T131 V133 W142 D143 V213 S214	V114-T131 HydrophobicContact CG2-CG2 3.9Å; V114-V133 HydrophobicContact CB-CB 4.24Å; V114-V133 HydrophobicContact CG1-CB 3.87Å; V114-V133 HydrophobicContact CG1-CG1 4.15Å; V114-W142 WeakPolarHBondContact CA-O 3.37Å; V114-D143 HydrophobicContact CG2-CB 4.29Å; V114-V213 CarbonylContact O-C 3.56Å; V114-V213 WeakPolarHBondContact O-CA 3.41Å; V114-V213 WeakPolarHBondContact O-CB 3.41Å; V114-S214 WeakPolarHBondContact CB-OG 3.41Å; V114-S214 PolarHBondContact N-O 2.93Å; V114-S214 VanDerWaalsContact N-O 3.1Å; V114-S214 PolarHBondContact O-N 2.95Å
115	V	98.9	Very high	98.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.5	178.5	178.8	0	0	0	0	110.2	I102 W104 G141 W142 L144 F177 V179 F190 V213	I102-V115 HydrophobicContact CG1-CG1 3.93Å; I102-V115 HydrophobicContact CG2-CG2 4.46Å; W104-V115 HydrophobicContact CE3-CG2 4.03Å; W104-V115 HydrophobicContact CZ3-CG2 4.03Å; V115-G141 WeakPolarHBondContact O-CA 3.47Å; V115-W142 PolarHBondContact N-O 3.03Å; V115-W142 PolarHBondContact O-N 2.98Å; V115-L144 HydrophobicContact CG2-CD1 4.06Å; V115-L144 HydrophobicContact CG2-CD2 4.42Å; V115-L144 HydrophobicContact CG2-CG 4.38Å; V115-F177 HydrophobicContact CB-CE2 4.43Å; V115-F177 HydrophobicContact CB-CZ 4.33Å; V115-F177 HydrophobicContact CG1-CE2 4.17Å; V115-F177 HydrophobicContact CG1-CZ 4.38Å; V115-F177 HydrophobicContact CG2-CE2 4.45Å; V115-F177 HydrophobicContact CG2-CZ 3.88Å; V115-V179 HydrophobicContact CG1-CG2 3.81Å; V115-F190 HydrophobicContact CG1-CE1 4.29Å; V115-V213 HydrophobicContact CB-CG1 4.18Å; V115-V213 HydrophobicContact CG1-CG1 4.09Å; V115-V213 HydrophobicContact CG2-CB 4.49Å; V115-V213 HydrophobicContact CG2-CG1 3.73Å
116	G	98.9	Very high	98.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	-135	171.1	0	0	0	0	0	113.4	W140 V212	G116-W140 VanDerWaalsContact CA-O 3.3Å; G116-W140 WeakPolarHBondContact CA-O 3.41Å; G116-V212 PolarHBondContact N-O 3.49Å; G116-V212 PolarHBondContact O-N 3.23Å
117	V	98.9	Very high	98.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.3	-177.7	-58.6	0	0	0	0	111.7	W100 S139 W140 L181 L188 L204 L209 Y210	W100-V117 HydrophobicContact CH2-CG1 3.83Å; W100-V117 HydrophobicContact CZ2-CG1 3.94Å; V117-S139 WeakPolarHBondContact O-CA 3.46Å; V117-W140 HydrophobicContact CG2-CB 4.24Å; V117-W140 HydrophobicContact CG2-CE3 3.98Å; V117-W140 PolarHBondContact N-O 3.19Å; V117-W140 PolarHBondContact O-N 2.85Å; V117-L181 HydrophobicContact CG1-CD1 4.28Å; V117-L181 HydrophobicContact CG1-CD2 4.24Å; V117-L188 HydrophobicContact CG1-CD1 4.06Å; V117-L188 HydrophobicContact CG1-CD2 4.23Å; V117-L188 HydrophobicContact CG2-CD2 3.94Å; V117-L204 HydrophobicContact CG2-CD1 4.46Å; V117-L209 HydrophobicContact CB-CB 4.22Å; V117-L209 HydrophobicContact CG2-CB 4.37Å; V117-L209 HydrophobicContact CG2-CD1 3.9Å; V117-Y210 CarbonylContact C-O 3.51Å; V117-Y210 WeakPolarHBondContact CA-O 3.48Å
118	A	98.9	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158.3	178.9	0	0	0	0	0	112.1	A122 E138 L209 Y210 V212	A118-A122 HydrophobicContact CB-CB 3.64Å; A118-E138 CarbonylContact C-O 3.53Å; A118-E138 WeakPolarHBondContact CA-O 3.34Å; A118-L209 WeakPolarHBondContact O-CA 3.28Å; A118-Y210 PolarHBondContact N-O 3.18Å; A118-Y210 PolarHBondContact O-N 3.15Å; A118-V212 HydrophobicContact CB-CB 4.11Å; A118-V212 HydrophobicContact CB-CG1 3.71Å; A118-V212 HydrophobicContact CB-CG2 4.42Å
119	T	98.9	Very high	98.5	Very high	16 Å²	16	37.5 Å²	37.5	10%	0.098	22%	0.223	C	C	.	.			trans	-73.8	174.3	163	69.7	0	0	0	0	110.4	R88 D121 E138 W140 L209	R88-T119 PolarHBondContact NH1-O 3.35Å; T119-D121 PolarHBondContact O-N 3.24Å; T119-D121 PolarHBondContact OG1-N 3.25Å; T119-E138 VanDerWaalsContact CB-OE2 3.3Å; T119-E138 WeakPolarHBondContact CB-OE2 3.34Å; T119-E138 WeakPolarHBondContact CG2-OE2 3.47Å; T119-E138 PolarHBondContact N-O 3.16Å; T119-E138 WeakPolarHBondContact OG1-CB 3.39Å; T119-E138 PolarHBondContact OG1-O 3.27Å; T119-E138 PolarHBondContact OG1-OE2 3.45Å; T119-W140 HydrophobicContact CG2-CZ3 4.3Å; T119-L209 HydrophobicContact CG2-CD2 4Å
120	A	98.7	Very high	98.4	Very high	50 Å²	50	38.5 Å²	38.5	41%	0.413	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.6	173.3	0	0	0	0	0	112.6	R88 Y210	R88-A120 VanDerWaalsContact CZ-O 3.26Å; R88-A120 PolarHBondContact NH1-O 3.3Å; R88-A120 VanDerWaalsContact NH1-O 3.15Å; R88-A120 PolarHBondContact NH2-O 3.16Å; A120-Y210 HydrophobicContact CB-CE2 4.17Å
121	D	98.7	Very high	98.4	Very high	132 Å²	132	37.5 Å²	37.5	71%	0.706	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.1	-174.7	-58.2	-50.3	0	0	0	113.1	T119 E138	T119-D121 PolarHBondContact O-N 3.24Å; T119-D121 PolarHBondContact OG1-N 3.25Å; D121-E138 HydrophobicContact CB-CG 4.3Å
122	A	98.6	Very high	98.5	Very high	6 Å²	6	34.1 Å²	34.1	5%	0.05	20%	0.196	C	C	.	.	S	Bend	trans	-61.6	133.8	176.3	0	0	0	0	0	111	R88 A118 E138	R88-A122 PolarHBondContact NH1-O 3.28Å; A118-A122 HydrophobicContact CB-CB 3.64Å; A122-E138 HydrophobicContact CB-CB 3.83Å
123	P	98.5	Very high	98.5	Very high	63 Å²	63	33.2 Å²	33.2	41%	0.409	19%	0.192	S	C	.	.			trans	-68.7	141	178.1	28.7	-33	0	0	0	110.5	L132 N136	P123-L132 HydrophobicContact CG-CD1 4.13Å; P123-N136 WeakPolarHBondContact CD-ND2 3.39Å
124	L	98.8	Very high	98.5	Very high	19 Å²	19	33.1 Å²	33.1	10%	0.099	19%	0.192	C	C	.	.	S	Bend	trans	-102.3	4.2	-178.5	-62.2	-176.2	0	0	0	114.3	D60 S62 A86 R88 V212	D60-L124 VanDerWaalsContact C-CD1 3.45Å; D60-L124 WeakPolarHBondContact O-CD1 3.37Å; D60-L124 VanDerWaalsContact OD1-CD1 3.31Å; D60-L124 WeakPolarHBondContact OD1-CD1 3.47Å; S62-L124 WeakPolarHBondContact CB-O 3.38Å; A86-L124 HydrophobicContact CB-CB 4.27Å; A86-L124 HydrophobicContact CB-CD2 3.84Å; A86-L124 PolarHBondContact N-O 2.99Å; R88-L124 HydrophobicContact CG-CD2 4.17Å; L124-V212 HydrophobicContact CD2-CG2 4.17Å
125	H	98.8	Very high	98.4	Very high	82 Å²	82	35.2 Å²	35.2	38%	0.38	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	147.8	177.3	173.1	75.2	0	0	0	110.6	S83 T84 D85	S83-H125 PolarHBondContact OG-CE1 3.4Å; S83-H125 PolarHBondContact OG-ND1 3.29Å; T84-H125 WeakPolarHBondContact O-CA 3.46Å; T84-H125 PolarHBondContact O-ND1 2.86Å; D85-H125 IonicContact OD1-CE1 2.72Å; D85-H125 IonicContact OD1-ND1 3.41Å; D85-H125 PolarHBondContact OD1-ND1 2.83Å
126	S	98.4	Very high	98.3	Very high	37 Å²	37	36.6 Å²	36.6	26%	0.259	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.6	166.6	-178.2	0	0	0	0	110.2	T84	T84-S126 PolarHBondContact N-O 2.8Å; T84-S126 PolarHBondContact O-N 2.91Å
127	V	98.1	Very high	98.2	Very high	117 Å²	117	42 Å²	42	71%	0.709	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	143.2	167.2	-178.1	0	0	0	0	109.3
128	G	98.1	Very high	98.2	Very high	12 Å²	12	44 Å²	44	12%	0.124	25%	0.245	C	C	.	.	S	Bend	trans	82.4	173.4	-176.1	0	0	0	0	0	113.6	Q82 S83 T84	Q82-G128 WeakPolarHBondContact O-CA 3.41Å; Q82-G128 PolarHBondContact O-N 3.19Å; S83-G128 CarbonylContact C-O 3.52Å; T84-G128 PolarHBondContact N-O 3.22Å; T84-G128 PolarHBondContact OG1-O 3.43Å
129	Y	98.2	Very high	98.2	Very high	92 Å²	92	44.2 Å²	44.2	36%	0.361	25%	0.246	S	C	.	.	S	Bend	trans	-91.3	109.1	171.5	-55.6	-44.7	0	0	0	109.6	Q82 H112 V216	Q82-Y129 VanDerWaalsContact N-CZ 3.34Å; Q82-Y129 PolarHBondContact N-OH 2.91Å; Q82-Y129 VanDerWaalsContact N-OH 3.13Å; H112-Y129 PolarHBondContact CE1-O 3.16Å; H112-Y129 VanDerWaalsContact CE1-O 3.26Å; Y129-V216 HydrophobicContact CD1-CB 3.74Å; Y129-V216 HydrophobicContact CD1-CG1 3.92Å; Y129-V216 HydrophobicContact CE1-CB 4.33Å; Y129-V216 HydrophobicContact CG-CB 4.45Å; Y129-V216 HydrophobicContact CG-CG1 4.48Å
130	T	97.2	Very high	98.2	Very high	37 Å²	37	43.8 Å²	43.8	23%	0.227	24%	0.243	C	C	.	.			trans	-140.2	160.7	-170.6	68.4	0	0	0	0	111.4	T84 H112 L132	T84-T130 WeakPolarHBondContact CG2-O 3.13Å; T84-T130 PolarHBondContact OG1-N 3.09Å; T84-T130 PolarHBondContact OG1-OG1 2.91Å; H112-T130 WeakPolarHBondContact CB-O 3.45Å; H112-T130 VanDerWaalsContact CD2-C 3.42Å; T130-L132 PolarHBondContact O-N 3.02Å
131	T	96.6	Very high	98.2	Very high	17 Å²	17	41.4 Å²	41.4	10%	0.104	22%	0.223	C	C	.	.			trans	-74.9	95.5	160.9	-55.8	0	0	0	0	107.7	H112 V114 N135 Y150	H112-T131 PolarHBondContact CD2-N 3.27Å; H112-T131 PolarHBondContact CD2-OG1 3.27Å; V114-T131 HydrophobicContact CG2-CG2 3.9Å; T131-N135 VanDerWaalsContact O-CB 3.25Å; T131-N135 WeakPolarHBondContact O-CB 3.33Å; T131-Y150 HydrophobicContact CG2-CD1 4.07Å; T131-Y150 HydrophobicContact CG2-CD2 3.61Å; T131-Y150 HydrophobicContact CG2-CE1 4.41Å; T131-Y150 HydrophobicContact CG2-CE2 3.99Å; T131-Y150 HydrophobicContact CG2-CG 3.66Å
132	L	98.5	Very high	98.2	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.047	19%	0.189	C	C	.	.			trans	-80.9	-55.6	-178.2	171.5	60.5	0	0	0	112	T84 A86 P123 T130 G134 N135	T84-L132 HydrophobicContact CG2-CB 3.52Å; T84-L132 HydrophobicContact CG2-CD2 4.11Å; T84-L132 HydrophobicContact CG2-CG 4.48Å; A86-L132 HydrophobicContact CB-CD2 3.93Å; P123-L132 HydrophobicContact CG-CD1 4.13Å; T130-L132 PolarHBondContact O-N 3.02Å; L132-G134 PolarHBondContact O-N 2.9Å; L132-N135 VanDerWaalsContact O-CB 3.28Å; L132-N135 WeakPolarHBondContact O-CB 3.39Å; L132-N135 PolarHBondContact O-N 3.13Å
133	V	98.8	Very high	98.2	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.03	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	127.5	174	174.9	0	0	0	0	108.6	V114 V212 S214	V114-V133 HydrophobicContact CB-CB 4.24Å; V114-V133 HydrophobicContact CG1-CB 3.87Å; V114-V133 HydrophobicContact CG1-CG1 4.15Å; V133-V212 HydrophobicContact CB-CG1 4.46Å; V133-V212 HydrophobicContact CG1-CG1 3.69Å; V133-V212 HydrophobicContact CG2-CB 4.49Å; V133-V212 HydrophobicContact CG2-CG1 3.8Å; V133-V212 HydrophobicContact CG2-CG2 3.9Å; V133-S214 PolarHBondContact N-OG 2.88Å
134	G	98.3	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-3.8	-175.9	0	0	0	0	0	114.8	L132 N136 S139 Y150 H151 D152 G153	L132-G134 PolarHBondContact O-N 2.9Å; G134-N136 VanDerWaalsContact C-N 3.27Å; G134-N136 PolarHBondContact O-N 2.86Å; G134-S139 PolarHBondContact N-OG 2.96Å; G134-Y150 VanDerWaalsContact CA-O 3.23Å; G134-Y150 WeakPolarHBondContact CA-O 3.47Å; G134-Y150 CarbonylContact O-C 3.29Å; G134-H151 CarbonylContact O-C 3.59Å; G134-H151 VanDerWaalsContact O-C 3.29Å; G134-H151 WeakPolarHBondContact O-CA 3.38Å; G134-H151 PolarHBondContact O-N 2.86Å; G134-D152 PolarHBondContact O-N 2.84Å; G134-D152 VanDerWaalsContact O-N 3.08Å; G134-G153 PolarHBondContact O-N 3.27Å
135	N	96.9	Very high	98	Very high	45 Å²	45	34 Å²	34	24%	0.241	19%	0.194	C	C	.	.	S	Bend	trans	-75.9	-14.7	-178.6	-154.2	14.2	0	0	0	114.1	T131 L132 G153 K154	T131-N135 VanDerWaalsContact O-CB 3.25Å; T131-N135 WeakPolarHBondContact O-CB 3.33Å; L132-N135 VanDerWaalsContact O-CB 3.28Å; L132-N135 WeakPolarHBondContact O-CB 3.39Å; L132-N135 PolarHBondContact O-N 3.13Å; N135-G153 PolarHBondContact O-N 2.94Å; N135-K154 WeakPolarHBondContact O-CG 3.48Å; N135-K154 PolarHBondContact O-N 2.93Å; N135-K154 WeakPolarHBondContact OD1-CG 3.42Å
136	N	97.3	Very high	97.8	Very high	30 Å²	30	35 Å²	35	16%	0.16	19%	0.194	C	C	.	.	S	Bend	trans	-135.5	179.5	-179.2	64.8	13.4	0	0	0	110.3	P123 G134 E138 S139 D152	P123-N136 WeakPolarHBondContact CD-ND2 3.39Å; G134-N136 VanDerWaalsContact C-N 3.27Å; G134-N136 PolarHBondContact O-N 2.86Å; N136-E138 PolarHBondContact O-N 3.23Å; N136-E138 PolarHBondContact OD1-N 2.79Å; N136-E138 VanDerWaalsContact OD1-N 3.11Å; N136-S139 PolarHBondContact OD1-N 3.45Å; N136-S139 PolarHBondContact OD1-OG 3.04Å; N136-D152 WeakPolarHBondContact O-CA 3.41Å; N136-D152 PolarHBondContact O-N 3Å
137	H	97.9	Very high	97.7	Very high	114 Å²	114	33.8 Å²	33.8	53%	0.528	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.4	179.4	56.6	-90.9	0	0	0	114.3	H151	H137-H151 PolarHBondContact O-CE1 2.86Å
138	E	98.6	Very high	97.6	Very high	42 Å²	42	32.6 Å²	32.6	20%	0.196	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.7	-177.6	-64.9	-56.8	153.6	0	0	113.3	A118 T119 D121 A122 N136	A118-E138 CarbonylContact C-O 3.53Å; A118-E138 WeakPolarHBondContact CA-O 3.34Å; T119-E138 VanDerWaalsContact CB-OE2 3.3Å; T119-E138 WeakPolarHBondContact CB-OE2 3.34Å; T119-E138 WeakPolarHBondContact CG2-OE2 3.47Å; T119-E138 PolarHBondContact N-O 3.16Å; T119-E138 WeakPolarHBondContact OG1-CB 3.39Å; T119-E138 PolarHBondContact OG1-O 3.27Å; T119-E138 PolarHBondContact OG1-OE2 3.45Å; D121-E138 HydrophobicContact CB-CG 4.3Å; A122-E138 HydrophobicContact CB-CB 3.83Å; N136-E138 PolarHBondContact O-N 3.23Å; N136-E138 PolarHBondContact OD1-N 2.79Å; N136-E138 VanDerWaalsContact OD1-N 3.11Å
139	S	98.8	Very high	97.6	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.7	-176.5	56.1	0	0	0	0	113.6	V117 G134 N136 H151	V117-S139 WeakPolarHBondContact O-CA 3.46Å; G134-S139 PolarHBondContact N-OG 2.96Å; N136-S139 PolarHBondContact OD1-N 3.45Å; N136-S139 PolarHBondContact OD1-OG 3.04Å; S139-H151 PolarHBondContact O-ND1 3.38Å
140	W	98.9	Very high	97.6	Very high	8 Å²	8	30 Å²	30	3%	0.03	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.3	179.4	-61.3	-97	0	0	0	108	G116 V117 T119 H151 L188 F201 L204 K207 L209	G116-W140 VanDerWaalsContact CA-O 3.3Å; G116-W140 WeakPolarHBondContact CA-O 3.41Å; V117-W140 HydrophobicContact CG2-CB 4.24Å; V117-W140 HydrophobicContact CG2-CE3 3.98Å; V117-W140 PolarHBondContact N-O 3.19Å; V117-W140 PolarHBondContact O-N 2.85Å; T119-W140 HydrophobicContact CG2-CZ3 4.3Å; W140-H151 AromaticContact CD1-CD2 3.99Å; W140-H151 AromaticContact CD1-CE1 3.92Å; W140-H151 AromaticContact CD1-CG 3.37Å; W140-H151 AromaticContact CD1-ND1 3.36Å; W140-H151 AromaticContact CD2-ND1 3.85Å; W140-H151 AromaticContact CE2-CE1 3.28Å; W140-H151 AromaticContact CE2-ND1 3.39Å; W140-H151 AromaticContact CE2-NE2 3.93Å; W140-H151 HydrophobicContact CG-CB 4.35Å; W140-H151 AromaticContact CG-ND1 3.82Å; W140-H151 AromaticContact CZ2-CE1 3.39Å; W140-H151 WeakPolarHBondContact CZ2-CE1 3.41Å; W140-H151 AromaticContact CZ2-ND1 3.94Å; W140-H151 AromaticContact NE1-CD2 3.55Å; W140-H151 AromaticContact NE1-CE1 3.16Å; W140-H151 PolarHBondContact NE1-CE1 3.2Å; W140-H151 AromaticContact NE1-CG 3.31Å; W140-H151 VanDerWaalsContact NE1-CG 3.31Å; W140-H151 AromaticContact NE1-ND1 3.09Å; W140-H151 PolarHBondContact NE1-ND1 3.48Å; W140-H151 AromaticContact NE1-NE2 3.43Å; W140-H151 PolarHBondContact NE1-NE2 2.85Å; W140-L188 HydrophobicContact CB-CD2 4.47Å; W140-F201 HydrophobicContact CB-CD1 4.13Å; W140-F201 HydrophobicContact CB-CD2 3.93Å; W140-F201 HydrophobicContact CB-CE1 4.17Å; W140-F201 HydrophobicContact CB-CE2 3.95Å; W140-F201 HydrophobicContact CB-CG 3.98Å; W140-F201 HydrophobicContact CB-CZ 4.06Å; W140-F201 AromaticContact CD1-CD1 3.53Å; W140-F201 AromaticContact CD1-CG 3.8Å; W140-F201 HydrophobicContact CG-CD1 4.23Å; W140-F201 HydrophobicContact CG-CG 4.23Å; W140-L204 HydrophobicContact CD2-CD2 3.58Å; W140-L204 HydrophobicContact CE3-CD2 4.13Å; W140-L204 HydrophobicContact CG-CD2 3.98Å; W140-L204 HydrophobicContact CH2-CD2 4.39Å; W140-L204 HydrophobicContact CZ2-CD2 3.83Å; W140-K207 HydrophobicContact CH2-CD 3.54Å; W140-K207 HydrophobicContact CZ2-CD 4Å; W140-K207 HydrophobicContact CZ3-CD 4.33Å; W140-L209 HydrophobicContact CE3-CD2 4.08Å; W140-L209 HydrophobicContact CH2-CD2 4.19Å; W140-L209 HydrophobicContact CZ3-CD2 3.44Å; W140-L209 VanDerWaalsContact CZ3-CD2 3.44Å
141	G	98.8	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.5	-170.3	0	0	0	0	0	114.3	V115 L149 Y150 F201	V115-G141 WeakPolarHBondContact O-CA 3.47Å; G141-L149 WeakPolarHBondContact O-CA 3.43Å; G141-Y150 PolarHBondContact N-O 3.26Å; G141-Y150 PolarHBondContact O-N 2.82Å; G141-F201 WeakPolarHBondContact O-CZ 3.49Å
142	W	98.8	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.9	167.3	179.4	29.5	0	0	0	109.9	V114 V115 L144 L149 Y161 F171 V173 F177 F190 V192	V114-W142 WeakPolarHBondContact CA-O 3.37Å; V115-W142 PolarHBondContact N-O 3.03Å; V115-W142 PolarHBondContact O-N 2.98Å; W142-L144 HydrophobicContact CD2-CD2 3.81Å; W142-L144 HydrophobicContact CE3-CD2 3.62Å; W142-L144 HydrophobicContact CG-CD2 4.38Å; W142-L144 HydrophobicContact CH2-CD2 4.38Å; W142-L144 HydrophobicContact CZ3-CD2 3.93Å; W142-L144 PolarHBondContact O-N 3.26Å; W142-L149 HydrophobicContact CB-CD2 3.68Å; W142-L149 HydrophobicContact CG-CD2 3.92Å; W142-Y161 AromaticContact CD2-CD1 3.93Å; W142-Y161 HydrophobicContact CD2-CD1 3.93Å; W142-Y161 HydrophobicContact CD2-CE1 4.19Å; W142-Y161 AromaticContact CE2-CD1 3.65Å; W142-Y161 HydrophobicContact CE3-CE1 4.34Å; W142-Y161 HydrophobicContact CG-CD1 4.2Å; W142-Y161 HydrophobicContact CH2-CE1 4.46Å; W142-Y161 HydrophobicContact CZ2-CD1 4.02Å; W142-Y161 HydrophobicContact CZ2-CE1 4.32Å; W142-Y161 HydrophobicContact CZ3-CE1 4.48Å; W142-Y161 AromaticContact NE1-CD1 3.72Å; W142-Y161 PolarHBondContact NE1-O 2.94Å; W142-F171 HydrophobicContact CH2-CE1 4.1Å; W142-F171 HydrophobicContact CZ2-CD1 4.24Å; W142-F171 HydrophobicContact CZ2-CE1 4.17Å; W142-V173 HydrophobicContact CH2-CB 4.44Å; W142-V173 HydrophobicContact CH2-CG1 4.08Å; W142-V173 HydrophobicContact CH2-CG2 3.46Å; W142-V173 VanDerWaalsContact CH2-CG2 3.46Å; W142-V173 HydrophobicContact CZ2-CG2 3.5Å; W142-V173 VanDerWaalsContact CZ2-CG2 3.5Å; W142-V173 HydrophobicContact CZ3-CG1 4.41Å; W142-V173 HydrophobicContact CZ3-CG2 4.37Å; W142-F177 HydrophobicContact CZ3-CD2 4.37Å; W142-F177 HydrophobicContact CZ3-CE2 4.4Å; W142-F190 HydrophobicContact CB-CE1 4.45Å; W142-F190 HydrophobicContact CB-CE2 3.81Å; W142-F190 HydrophobicContact CB-CZ 3.71Å; W142-F190 HydrophobicContact CD2-CD2 4.38Å; W142-F190 HydrophobicContact CD2-CE2 4.39Å; W142-F190 HydrophobicContact CE3-CB 4.17Å; W142-F190 AromaticContact CE3-CD1 3.56Å; W142-F190 HydrophobicContact CE3-CD1 3.56Å; W142-F190 AromaticContact CE3-CD2 3.77Å; W142-F190 HydrophobicContact CE3-CD2 3.77Å; W142-F190 AromaticContact CE3-CE1 3.79Å; W142-F190 HydrophobicContact CE3-CE1 3.79Å; W142-F190 AromaticContact CE3-CE2 3.99Å; W142-F190 HydrophobicContact CE3-CE2 3.99Å; W142-F190 AromaticContact CE3-CG 3.55Å; W142-F190 HydrophobicContact CE3-CG 3.55Å; W142-F190 AromaticContact CE3-CZ 4Å; W142-F190 HydrophobicContact CE3-CZ 4Å; W142-F190 HydrophobicContact CG-CE2 4.37Å; W142-F190 HydrophobicContact CZ3-CB 3.87Å; W142-F190 AromaticContact CZ3-CD1 3.88Å; W142-F190 HydrophobicContact CZ3-CD1 3.88Å; W142-F190 HydrophobicContact CZ3-CD2 4.33Å; W142-F190 AromaticContact CZ3-CG 3.76Å; W142-F190 HydrophobicContact CZ3-CG 3.76Å; W142-V192 HydrophobicContact CH2-CG2 3.9Å; W142-V192 HydrophobicContact CZ3-CG2 4.23Å
143	D	98.2	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110	170.8	-175.4	-32.4	0	0	0	109.2	A113 V114 G145 R146 N147 R148 Y150	A113-D143 WeakPolarHBondContact O-CA 3.39Å; V114-D143 HydrophobicContact CG2-CB 4.29Å; D143-G145 VanDerWaalsContact C-N 3.29Å; D143-G145 PolarHBondContact O-N 3.07Å; D143-G145 PolarHBondContact OD1-N 3.09Å; D143-R146 HydrophobicContact CB-CB 4.28Å; D143-R146 PolarHBondContact O-N 3.01Å; D143-R146 PolarHBondContact OD1-N 3.27Å; D143-R146 VanDerWaalsContact OD1-N 3.09Å; D143-R146 IonicContact OD1-NH1 3.28Å; D143-R146 WeakPolarHBondContact OD2-CD 3.28Å; D143-R146 IonicContact OD2-CZ 3.02Å; D143-R146 IonicContact OD2-NE 2.69Å; D143-R146 IonicContact OD2-NH1 2.88Å; D143-R146 PolarHBondContact OD2-NH1 3.17Å; D143-N147 WeakPolarHBondContact O-CA 3.31Å; D143-N147 PolarHBondContact O-N 3Å; D143-R148 PolarHBondContact N-O 2.8Å; D143-R148 PolarHBondContact O-N 2.89Å; D143-Y150 HydrophobicContact CB-CD2 4.07Å; D143-Y150 HydrophobicContact CB-CE2 3.64Å
144	L	97.9	Very high	97.1	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.2	-173.5	-53.5	-178.8	0	0	0	113	W104 A113 V115 W142 V173 F177	W104-L144 HydrophobicContact CE3-CD1 4.25Å; A113-L144 HydrophobicContact CB-CD1 4.46Å; A113-L144 WeakPolarHBondContact O-CG 3.43Å; A113-L144 PolarHBondContact O-N 2.89Å; V115-L144 HydrophobicContact CG2-CD1 4.06Å; V115-L144 HydrophobicContact CG2-CD2 4.42Å; V115-L144 HydrophobicContact CG2-CG 4.38Å; W142-L144 HydrophobicContact CD2-CD2 3.81Å; W142-L144 HydrophobicContact CE3-CD2 3.62Å; W142-L144 HydrophobicContact CG-CD2 4.38Å; W142-L144 HydrophobicContact CH2-CD2 4.38Å; W142-L144 HydrophobicContact CZ3-CD2 3.93Å; W142-L144 PolarHBondContact O-N 3.26Å; L144-V173 HydrophobicContact CB-CG2 4.31Å; L144-V173 HydrophobicContact CD2-CG1 4.37Å; L144-V173 HydrophobicContact CD2-CG2 4.3Å; L144-F177 HydrophobicContact CD1-CE1 3.86Å; L144-F177 HydrophobicContact CD1-CZ 3.77Å; L144-F177 HydrophobicContact CD2-CE1 4.3Å; L144-F177 HydrophobicContact CD2-CE2 4.27Å; L144-F177 HydrophobicContact CD2-CZ 3.76Å; L144-F177 HydrophobicContact CG-CZ 4.41Å
145	G	95.1	Very high	96.9	Very high	62 Å²	62	45.4 Å²	45.4	64%	0.639	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-34.7	-178.9	0	0	0	0	0	112	D143	D143-G145 VanDerWaalsContact C-N 3.29Å; D143-G145 PolarHBondContact O-N 3.07Å; D143-G145 PolarHBondContact OD1-N 3.09Å
146	R	94.7	Very high	96.8	Very high	103 Å²	103	48.4 Å²	48.4	39%	0.389	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-11.9	-179.6	-66.3	-177	179.3	74.7	1.5	113.9	T111 H112 D143 R148	T111-R146 PolarHBondContact O-NH1 2.53Å; T111-R146 PolarHBondContact O-NH2 3.14Å; H112-R146 PolarHBondContact CD2-NH1 3.29Å; H112-R146 PolarHBondContact CE1-NH2 3.11Å; H112-R146 PolarHBondContact NE2-NH1 3.39Å; H112-R146 PolarHBondContact NE2-NH2 3.35Å; D143-R146 HydrophobicContact CB-CB 4.28Å; D143-R146 PolarHBondContact O-N 3.01Å; D143-R146 PolarHBondContact OD1-N 3.27Å; D143-R146 VanDerWaalsContact OD1-N 3.09Å; D143-R146 IonicContact OD1-NH1 3.28Å; D143-R146 WeakPolarHBondContact OD2-CD 3.28Å; D143-R146 IonicContact OD2-CZ 3.02Å; D143-R146 IonicContact OD2-NE 2.69Å; D143-R146 IonicContact OD2-NH1 2.88Å; D143-R146 PolarHBondContact OD2-NH1 3.17Å; R146-R148 HydrophobicContact CB-CB 4.14Å; R146-R148 HydrophobicContact CB-CG 3.99Å; R146-R148 WeakPolarHBondContact O-CG 3.13Å; R146-R148 PolarHBondContact O-N 2.98Å
147	N	96.4	Very high	96.6	Very high	11 Å²	11	52 Å²	52	6%	0.059	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	45.2	-171.6	-64.1	-51.6	0	0	0	111.5	D143 T160 Y161 L165 F171	D143-N147 WeakPolarHBondContact O-CA 3.31Å; D143-N147 PolarHBondContact O-N 3Å; N147-T160 CarbonylContact O-C 3.49Å; N147-T160 WeakPolarHBondContact O-CA 3.44Å; N147-Y161 CarbonylContact C-O 3.53Å; N147-Y161 WeakPolarHBondContact CA-O 3.44Å; N147-Y161 VanDerWaalsContact CB-O 3.32Å; N147-Y161 WeakPolarHBondContact CB-O 3.46Å; N147-Y161 PolarHBondContact O-N 2.89Å; N147-L165 HydrophobicContact CB-CD1 4.04Å; N147-F171 PolarHBondContact ND2-N 2.82Å; N147-F171 PolarHBondContact ND2-O 3.38Å; N147-F171 PolarHBondContact OD1-O 3.41Å
148	R	96.4	Very high	96.4	Very high	92 Å²	92	48.2 Å²	48.2	35%	0.347	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.1	-175.2	-71.8	-69.7	179.9	149.4	-3.2	111.5	D143 R146 Y150 S158 K159	D143-R148 PolarHBondContact N-O 2.8Å; D143-R148 PolarHBondContact O-N 2.89Å; R146-R148 HydrophobicContact CB-CB 4.14Å; R146-R148 HydrophobicContact CB-CG 3.99Å; R146-R148 WeakPolarHBondContact O-CG 3.13Å; R146-R148 PolarHBondContact O-N 2.98Å; R148-Y150 HydrophobicContact CB-CD2 4.26Å; R148-Y150 HydrophobicContact CB-CE2 3.47Å; R148-Y150 VanDerWaalsContact CB-CE2 3.47Å; R148-Y150 WeakPolarHBondContact O-CD2 3.3Å; R148-S158 WeakPolarHBondContact CD-OG 3.35Å; R148-S158 PolarHBondContact NH1-O 3.22Å; R148-K159 CarbonylContact C-O 3.36Å; R148-K159 VanDerWaalsContact CA-O 3.28Å; R148-K159 WeakPolarHBondContact CA-O 3.38Å
149	L	98.1	Very high	96.2	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.063	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.6	171.7	-60	176.6	0	0	0	110.2	G141 W142 S158 K159 Y161 A200 F201	G141-L149 WeakPolarHBondContact O-CA 3.43Å; W142-L149 HydrophobicContact CB-CD2 3.68Å; W142-L149 HydrophobicContact CG-CD2 3.92Å; L149-S158 VanDerWaalsContact O-CA 3.29Å; L149-S158 WeakPolarHBondContact O-CA 3.08Å; L149-S158 WeakPolarHBondContact O-CB 3.28Å; L149-K159 HydrophobicContact CB-CB 4.48Å; L149-K159 PolarHBondContact N-O 3.41Å; L149-K159 PolarHBondContact O-N 3.23Å; L149-K159 VanDerWaalsContact O-N 3.16Å; L149-Y161 HydrophobicContact CD1-CD2 3.71Å; L149-Y161 HydrophobicContact CD1-CG 3.84Å; L149-Y161 HydrophobicContact CD2-CD1 4.1Å; L149-Y161 HydrophobicContact CD2-CD2 4.41Å; L149-Y161 HydrophobicContact CD2-CG 3.86Å; L149-Y161 VanDerWaalsContact CG-CB 3.44Å; L149-Y161 HydrophobicContact CG-CD2 4.3Å; L149-Y161 HydrophobicContact CG-CG 3.9Å; L149-A200 HydrophobicContact CD1-CB 3.65Å; L149-A200 VanDerWaalsContact CD1-O 3.31Å; L149-A200 WeakPolarHBondContact CD1-O 3.32Å; L149-A200 HydrophobicContact CD2-CB 3.73Å; L149-A200 HydrophobicContact CG-CB 4.35Å; L149-F201 HydrophobicContact CB-CE1 3.94Å; L149-F201 HydrophobicContact CB-CE2 4.39Å; L149-F201 HydrophobicContact CB-CZ 3.65Å; L149-F201 HydrophobicContact CD2-CE2 3.78Å; L149-F201 HydrophobicContact CD2-CZ 3.88Å; L149-F201 HydrophobicContact CG-CE2 4.48Å; L149-F201 HydrophobicContact CG-CZ 4.2Å
150	Y	98.4	Very high	96	Very high	37 Å²	37	55.7 Å²	55.7	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.4	178.3	-64.2	-91.9	0	0	0	110.2	T131 G134 G141 D143 R148 F201	T131-Y150 HydrophobicContact CG2-CD1 4.07Å; T131-Y150 HydrophobicContact CG2-CD2 3.61Å; T131-Y150 HydrophobicContact CG2-CE1 4.41Å; T131-Y150 HydrophobicContact CG2-CE2 3.99Å; T131-Y150 HydrophobicContact CG2-CG 3.66Å; G134-Y150 VanDerWaalsContact CA-O 3.23Å; G134-Y150 WeakPolarHBondContact CA-O 3.47Å; G134-Y150 CarbonylContact O-C 3.29Å; G141-Y150 PolarHBondContact N-O 3.26Å; G141-Y150 PolarHBondContact O-N 2.82Å; D143-Y150 HydrophobicContact CB-CD2 4.07Å; D143-Y150 HydrophobicContact CB-CE2 3.64Å; R148-Y150 HydrophobicContact CB-CD2 4.26Å; R148-Y150 HydrophobicContact CB-CE2 3.47Å; R148-Y150 VanDerWaalsContact CB-CE2 3.47Å; R148-Y150 WeakPolarHBondContact O-CD2 3.3Å; Y150-F201 WeakPolarHBondContact O-CZ 3.31Å
151	H	98.4	Very high	95.8	Very high	64 Å²	64	55.5 Å²	55.5	30%	0.296	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	128.9	166.3	170.3	60.7	0	0	0	106.8	G134 H137 S139 W140 G153 F201	G134-H151 CarbonylContact O-C 3.59Å; G134-H151 VanDerWaalsContact O-C 3.29Å; G134-H151 WeakPolarHBondContact O-CA 3.38Å; G134-H151 PolarHBondContact O-N 2.86Å; H137-H151 PolarHBondContact O-CE1 2.86Å; S139-H151 PolarHBondContact O-ND1 3.38Å; W140-H151 AromaticContact CD1-CD2 3.99Å; W140-H151 AromaticContact CD1-CE1 3.92Å; W140-H151 AromaticContact CD1-CG 3.37Å; W140-H151 AromaticContact CD1-ND1 3.36Å; W140-H151 AromaticContact CD2-ND1 3.85Å; W140-H151 AromaticContact CE2-CE1 3.28Å; W140-H151 AromaticContact CE2-ND1 3.39Å; W140-H151 AromaticContact CE2-NE2 3.93Å; W140-H151 HydrophobicContact CG-CB 4.35Å; W140-H151 AromaticContact CG-ND1 3.82Å; W140-H151 AromaticContact CZ2-CE1 3.39Å; W140-H151 WeakPolarHBondContact CZ2-CE1 3.41Å; W140-H151 AromaticContact CZ2-ND1 3.94Å; W140-H151 AromaticContact NE1-CD2 3.55Å; W140-H151 AromaticContact NE1-CE1 3.16Å; W140-H151 PolarHBondContact NE1-CE1 3.2Å; W140-H151 AromaticContact NE1-CG 3.31Å; W140-H151 VanDerWaalsContact NE1-CG 3.31Å; W140-H151 AromaticContact NE1-ND1 3.09Å; W140-H151 PolarHBondContact NE1-ND1 3.48Å; W140-H151 AromaticContact NE1-NE2 3.43Å; W140-H151 PolarHBondContact NE1-NE2 2.85Å; H151-G153 PolarHBondContact O-N 2.88Å; H151-F201 HydrophobicContact CB-CD1 4.24Å; H151-F201 HydrophobicContact CB-CE1 3.84Å
152	D	97.1	Very high	95.6	Very high	28 Å²	28	55.5 Å²	55.5	15%	0.15	29%	0.29	C	S	.	.	S	Bend	trans	50.8	40.1	-170.3	-163.4	33.9	0	0	0	112.8	G134 N136 K154 N155 Q156	G134-D152 PolarHBondContact O-N 2.84Å; G134-D152 VanDerWaalsContact O-N 3.08Å; N136-D152 WeakPolarHBondContact O-CA 3.41Å; N136-D152 PolarHBondContact O-N 3Å; D152-K154 PolarHBondContact O-N 3.08Å; D152-N155 VanDerWaalsContact CG-ND2 3.34Å; D152-N155 PolarHBondContact O-N 2.84Å; D152-N155 PolarHBondContact OD1-ND2 3.4Å; D152-N155 WeakPolarHBondContact OD2-CB 3.23Å; D152-N155 PolarHBondContact OD2-ND2 3.49Å; D152-Q156 HydrophobicContact CB-CG 4.06Å; D152-Q156 PolarHBondContact O-N 3.33Å
153	G	93.5	Very high	95.1	Very high	25 Å²	25	59 Å²	59	26%	0.258	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.6	-170.7	0	0	0	0	0	115.9	G134 N135 H151 N155	G134-G153 PolarHBondContact O-N 3.27Å; N135-G153 PolarHBondContact O-N 2.94Å; H151-G153 PolarHBondContact O-N 2.88Å; G153-N155 VanDerWaalsContact C-N 3.29Å
154	K	90.2	Very high	94.5	Very high	156 Å²	156	62.5 Å²	62.5	68%	0.678	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.1	169.5	-73.2	-179.4	-177.4	-177.5	0	113.2	N135 D152	N135-K154 WeakPolarHBondContact O-CG 3.48Å; N135-K154 PolarHBondContact O-N 2.93Å; N135-K154 WeakPolarHBondContact OD1-CG 3.42Å; D152-K154 PolarHBondContact O-N 3.08Å
155	N	94.6	Very high	93.8	Very high	118 Å²	118	63.1 Å²	63.1	63%	0.631	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-17.3	-173.3	-53.4	-53.8	0	0	0	112.6	D152 G153	D152-N155 VanDerWaalsContact CG-ND2 3.34Å; D152-N155 PolarHBondContact O-N 2.84Å; D152-N155 PolarHBondContact OD1-ND2 3.4Å; D152-N155 WeakPolarHBondContact OD2-CB 3.23Å; D152-N155 PolarHBondContact OD2-ND2 3.49Å; G153-N155 VanDerWaalsContact C-N 3.29Å
156	Q	94	Very high	93.2	Very high	109 Å²	109	66.5 Å²	66.5	51%	0.509	34%	0.337	S	S	.	.	S	Bend	trans	-122.2	139.7	-173.8	-62	-66.7	-20.3	0	0	111.5	D152	D152-Q156 HydrophobicContact CB-CG 4.06Å; D152-Q156 PolarHBondContact O-N 3.33Å
157	P	93.1	Very high	92.3	Very high	106 Å²	106	66.4 Å²	66.4	69%	0.688	35%	0.349	S	S	*	.			trans	-68.6	146.3	174	29.9	-34.4	0	0	0	111
158	S	93.8	Very high	91.2	Very high	33 Å²	33	73.9 Å²	73.9	23%	0.231	39%	0.389	C	S	.	.			trans	-74.6	150.8	174.7	67.9	0	0	0	0	112	R148 L149	R148-S158 WeakPolarHBondContact CD-OG 3.35Å; R148-S158 PolarHBondContact NH1-O 3.22Å; L149-S158 VanDerWaalsContact O-CA 3.29Å; L149-S158 WeakPolarHBondContact O-CA 3.08Å; L149-S158 WeakPolarHBondContact O-CB 3.28Å
159	K	94.6	Very high	90.7	Very high	151 Å²	151	74.3 Å²	74.3	66%	0.657	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.3	-179.1	-63.2	177.7	-177.3	175.3	0	110.6	R148 L149	R148-K159 CarbonylContact C-O 3.36Å; R148-K159 VanDerWaalsContact CA-O 3.28Å; R148-K159 WeakPolarHBondContact CA-O 3.38Å; L149-K159 HydrophobicContact CB-CB 4.48Å; L149-K159 PolarHBondContact N-O 3.41Å; L149-K159 PolarHBondContact O-N 3.23Å; L149-K159 VanDerWaalsContact O-N 3.16Å
160	T	95.3	Very high	89.8	Confident	52 Å²	52	79.4 Å²	79.4	32%	0.319	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	137.7	173.1	-56.8	0	0	0	0	110.4	N147 L165	N147-T160 CarbonylContact O-C 3.49Å; N147-T160 WeakPolarHBondContact O-CA 3.44Å; T160-L165 HydrophobicContact CG2-CB 4.04Å; T160-L165 HydrophobicContact CG2-CD1 4.28Å
161	Y	94.9	Very high	89.5	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.016	43%	0.428	C	S	.	.	S	Bend	trans	-149.9	132.4	176	-176.2	-93.2	0	0	0	111.8	W142 N147 L149 F190 M197 G198 A200	W142-Y161 AromaticContact CD2-CD1 3.93Å; W142-Y161 HydrophobicContact CD2-CD1 3.93Å; W142-Y161 HydrophobicContact CD2-CE1 4.19Å; W142-Y161 AromaticContact CE2-CD1 3.65Å; W142-Y161 HydrophobicContact CE3-CE1 4.34Å; W142-Y161 HydrophobicContact CG-CD1 4.2Å; W142-Y161 HydrophobicContact CH2-CE1 4.46Å; W142-Y161 HydrophobicContact CZ2-CD1 4.02Å; W142-Y161 HydrophobicContact CZ2-CE1 4.32Å; W142-Y161 HydrophobicContact CZ3-CE1 4.48Å; W142-Y161 AromaticContact NE1-CD1 3.72Å; W142-Y161 PolarHBondContact NE1-O 2.94Å; N147-Y161 CarbonylContact C-O 3.53Å; N147-Y161 WeakPolarHBondContact CA-O 3.44Å; N147-Y161 VanDerWaalsContact CB-O 3.32Å; N147-Y161 WeakPolarHBondContact CB-O 3.46Å; N147-Y161 PolarHBondContact O-N 2.89Å; L149-Y161 HydrophobicContact CD1-CD2 3.71Å; L149-Y161 HydrophobicContact CD1-CG 3.84Å; L149-Y161 HydrophobicContact CD2-CD1 4.1Å; L149-Y161 HydrophobicContact CD2-CD2 4.41Å; L149-Y161 HydrophobicContact CD2-CG 3.86Å; L149-Y161 VanDerWaalsContact CG-CB 3.44Å; L149-Y161 HydrophobicContact CG-CD2 4.3Å; L149-Y161 HydrophobicContact CG-CG 3.9Å; Y161-F190 HydrophobicContact CE1-CB 4.19Å; Y161-F190 AromaticContact CE1-CD2 3.61Å; Y161-F190 HydrophobicContact CE1-CD2 3.61Å; Y161-F190 HydrophobicContact CE1-CE2 4.44Å; Y161-F190 HydrophobicContact CE1-CG 4.26Å; Y161-F190 AromaticContact CZ-CD2 3.85Å; Y161-F190 PolarHBondContact OH-N 2.69Å; Y161-M197 HydrophobicContact CE1-CB 3.8Å; Y161-M197 HydrophobicContact CE2-CB 4.4Å; Y161-M197 VanDerWaalsContact CE2-O 3.31Å; Y161-M197 WeakPolarHBondContact CE2-O 3.3Å; Y161-M197 WeakPolarHBondContact OH-CB 3.18Å; Y161-M197 PolarHBondContact OH-O 3.43Å; Y161-G198 PolarHBondContact OH-O 3.28Å; Y161-A200 HydrophobicContact CD2-CB 4.16Å; Y161-A200 HydrophobicContact CE2-CB 3.77Å
162	P	93.4	Very high	89.3	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	44%	0.44	C	S	.	.	S	Bend	cis	-65.2	152.1	3.5	-23.9	35.5	0	0	0	114.6	F164 L165 F171 M197	P162-F164 HydrophobicContact CB-CD1 3.65Å; P162-F164 HydrophobicContact CB-CD2 4.34Å; P162-F164 HydrophobicContact CB-CE1 3.22Å; P162-F164 HydrophobicContact CB-CE2 3.97Å; P162-F164 HydrophobicContact CB-CG 4.2Å; P162-F164 HydrophobicContact CB-CZ 3.39Å; P162-F164 HydrophobicContact CG-CE1 3.88Å; P162-F164 HydrophobicContact CG-CE2 4.31Å; P162-F164 HydrophobicContact CG-CZ 3.63Å; P162-F164 PolarHBondContact O-N 2.96Å; P162-L165 WeakPolarHBondContact O-CB 3.33Å; P162-L165 WeakPolarHBondContact O-CG 3.39Å; P162-L165 PolarHBondContact O-N 3.49Å; P162-F171 HydrophobicContact CG-CD1 4.39Å; P162-F171 HydrophobicContact CG-CE1 4.29Å; P162-F171 HydrophobicContact CG-CZ 4.41Å; P162-M197 HydrophobicContact CB-CB 4.39Å; P162-M197 HydrophobicContact CB-SD 4.2Å; P162-M197 HydrophobicContact CG-CB 4.06Å; P162-M197 HydrophobicContact CG-CG 4.08Å; P162-M197 HydrophobicContact CG-SD 3.41Å; P162-M197 WeakPolarHBondContact CG-SD 3.29Å
163	A	89.3	Confident	89.2	Confident	73 Å²	73	80.3 Å²	80.3	60%	0.603	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.4	-172.7	0	0	0	0	0	114.3	L165	A163-L165 VanDerWaalsContact C-N 3.32Å
164	F	84.8	Confident	89.5	Confident	74 Å²	74	80.7 Å²	80.7	33%	0.325	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.8	174.7	58.3	-110	0	0	0	113.1	Y31 P162 E166 M197	Y31-F164 AromaticContact CD1-CD1 3.98Å; Y31-F164 HydrophobicContact CD1-CD1 3.98Å; Y31-F164 HydrophobicContact CD1-CE1 4.35Å; Y31-F164 AromaticContact CE1-CD1 3.57Å; Y31-F164 HydrophobicContact CE1-CD1 3.57Å; Y31-F164 HydrophobicContact CE1-CE1 4.25Å; Y31-F164 HydrophobicContact CE2-CB 4.19Å; Y31-F164 HydrophobicContact CE2-CD1 4.19Å; Y31-F164 HydrophobicContact CG-CD1 4.46Å; Y31-F164 AromaticContact CZ-CD1 3.7Å; Y31-F164 PolarHBondContact OH-N 2.99Å; P162-F164 HydrophobicContact CB-CD1 3.65Å; P162-F164 HydrophobicContact CB-CD2 4.34Å; P162-F164 HydrophobicContact CB-CE1 3.22Å; P162-F164 HydrophobicContact CB-CE2 3.97Å; P162-F164 HydrophobicContact CB-CG 4.2Å; P162-F164 HydrophobicContact CB-CZ 3.39Å; P162-F164 HydrophobicContact CG-CE1 3.88Å; P162-F164 HydrophobicContact CG-CE2 4.31Å; P162-F164 HydrophobicContact CG-CZ 3.63Å; P162-F164 PolarHBondContact O-N 2.96Å; F164-E166 PolarHBondContact O-N 3.27Å; F164-M197 HydrophobicContact CE1-SD 4.1Å; F164-M197 HydrophobicContact CZ-SD 3.99Å
165	L	84.1	Confident	89.8	Confident	15 Å²	15	76.9 Å²	76.9	8%	0.079	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-68.1	132.3	177.6	-64.7	178	0	0	0	110.3	N147 T160 P162 A163 E169 F171	N147-L165 HydrophobicContact CB-CD1 4.04Å; T160-L165 HydrophobicContact CG2-CB 4.04Å; T160-L165 HydrophobicContact CG2-CD1 4.28Å; P162-L165 WeakPolarHBondContact O-CB 3.33Å; P162-L165 WeakPolarHBondContact O-CG 3.39Å; P162-L165 PolarHBondContact O-N 3.49Å; A163-L165 VanDerWaalsContact C-N 3.32Å; L165-E169 WeakPolarHBondContact CA-OE2 3.47Å; L165-E169 HydrophobicContact CB-CB 4.41Å; L165-E169 HydrophobicContact CD2-CB 4.41Å; L165-E169 HydrophobicContact CD2-CG 4.05Å; L165-F171 HydrophobicContact CD1-CB 3.59Å; L165-F171 HydrophobicContact CD1-CG 4.45Å; L165-F171 HydrophobicContact CD2-CB 3.81Å; L165-F171 HydrophobicContact CD2-CD2 4.34Å; L165-F171 HydrophobicContact CD2-CG 4.42Å; L165-F171 HydrophobicContact CG-CB 4.3Å
166	E	81.9	Confident	90	Very high	134 Å²	134	73.3 Å²	73.3	63%	0.626	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-67.5	157.8	169	-69.3	-65.1	161.6	0	0	110.4	F164 D168 E169	F164-E166 PolarHBondContact O-N 3.27Å; E166-D168 PolarHBondContact O-N 3.4Å; E166-E169 HydrophobicContact CB-CB 4.35Å; E166-E169 PolarHBondContact N-OE2 2.67Å; E166-E169 WeakPolarHBondContact O-CB 3.5Å; E166-E169 PolarHBondContact O-N 3.02Å; E166-E169 VanDerWaalsContact O-N 3.09Å
167	P	76.1	Confident	90.3	Very high	101 Å²	101	68.3 Å²	68.3	66%	0.656	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	131.5	170.1	-23.8	34.1	0	0	0	110.5	E169	P167-E169 PolarHBondContact O-N 2.9Å
168	D	73.6	Confident	90.5	Very high	168 Å²	168	64.4 Å²	64.4	90%	0.898	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	5.3	-179.1	-49.2	-45.5	0	0	0	116.4	E166 T170	E166-D168 PolarHBondContact O-N 3.4Å; D168-T170 PolarHBondContact O-N 2.81Å
169	E	84.5	Confident	90.8	Very high	100 Å²	100	62.8 Å²	62.8	47%	0.467	34%	0.341	S	S	.	.			trans	-71.5	128	170.6	-170.7	-180	177.4	0	0	111.2	L165 E166 P167	L165-E169 WeakPolarHBondContact CA-OE2 3.47Å; L165-E169 HydrophobicContact CB-CB 4.41Å; L165-E169 HydrophobicContact CD2-CB 4.41Å; L165-E169 HydrophobicContact CD2-CG 4.05Å; E166-E169 HydrophobicContact CB-CB 4.35Å; E166-E169 PolarHBondContact N-OE2 2.67Å; E166-E169 WeakPolarHBondContact O-CB 3.5Å; E166-E169 PolarHBondContact O-N 3.02Å; E166-E169 VanDerWaalsContact O-N 3.09Å; P167-E169 PolarHBondContact O-N 2.9Å
170	T	79.6	Confident	91	Very high	119 Å²	119	55.9 Å²	55.9	73%	0.73	31%	0.312	S	S	*	.			trans	-89.2	112.7	178.1	57.5	0	0	0	0	110.8	D168	D168-T170 PolarHBondContact O-N 2.81Å
171	F	92.1	Very high	91.1	Very high	40 Å²	40	53.4 Å²	53.4	18%	0.175	30%	0.296	C	S	.	.			trans	-93.5	124.2	167	-176.6	-104.7	0	0	0	110.5	W142 N147 P162 L165 V173 V192 M197	W142-F171 HydrophobicContact CH2-CE1 4.1Å; W142-F171 HydrophobicContact CZ2-CD1 4.24Å; W142-F171 HydrophobicContact CZ2-CE1 4.17Å; N147-F171 PolarHBondContact ND2-N 2.82Å; N147-F171 PolarHBondContact ND2-O 3.38Å; N147-F171 PolarHBondContact OD1-O 3.41Å; P162-F171 HydrophobicContact CG-CD1 4.39Å; P162-F171 HydrophobicContact CG-CE1 4.29Å; P162-F171 HydrophobicContact CG-CZ 4.41Å; L165-F171 HydrophobicContact CD1-CB 3.59Å; L165-F171 HydrophobicContact CD1-CG 4.45Å; L165-F171 HydrophobicContact CD2-CB 3.81Å; L165-F171 HydrophobicContact CD2-CD2 4.34Å; L165-F171 HydrophobicContact CD2-CG 4.42Å; L165-F171 HydrophobicContact CG-CB 4.3Å; F171-V173 HydrophobicContact CD1-CG2 3.89Å; F171-V173 HydrophobicContact CE1-CG2 3.9Å; F171-V192 HydrophobicContact CE1-CB 4.41Å; F171-V192 HydrophobicContact CE1-CG1 4.18Å; F171-V192 HydrophobicContact CE1-CG2 4.16Å; F171-V192 HydrophobicContact CZ-CB 3.98Å; F171-V192 HydrophobicContact CZ-CG1 3.74Å; F171-V192 HydrophobicContact CZ-CG2 4.22Å; F171-M197 HydrophobicContact CE1-SD 4.43Å; F171-M197 HydrophobicContact CE2-SD 4.37Å; F171-M197 HydrophobicContact CZ-SD 3.81Å
172	I	94.3	Very high	91.3	Very high	108 Å²	108	54 Å²	54	55%	0.554	30%	0.3	S	S	*	.			trans	-97	107.5	179.2	-61.5	175.1	0	0	0	108.4	M106	M106-I172 HydrophobicContact CE-CG2 3.66Å; M106-I172 HydrophobicContact SD-CG2 3.79Å
173	V	96.6	Very high	91.5	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	30%	0.301	C	S	.	.			trans	-72.2	123.9	173.1	-169.8	0	0	0	0	108.9	R109 W142 L144 F171 F177 V192	R109-V173 PolarHBondContact NH1-O 2.92Å; R109-V173 PolarHBondContact NH2-O 2.8Å; R109-V173 VanDerWaalsContact NH2-O 3.16Å; W142-V173 HydrophobicContact CH2-CB 4.44Å; W142-V173 HydrophobicContact CH2-CG1 4.08Å; W142-V173 HydrophobicContact CH2-CG2 3.46Å; W142-V173 VanDerWaalsContact CH2-CG2 3.46Å; W142-V173 HydrophobicContact CZ2-CG2 3.5Å; W142-V173 VanDerWaalsContact CZ2-CG2 3.5Å; W142-V173 HydrophobicContact CZ3-CG1 4.41Å; W142-V173 HydrophobicContact CZ3-CG2 4.37Å; L144-V173 HydrophobicContact CB-CG2 4.31Å; L144-V173 HydrophobicContact CD2-CG1 4.37Å; L144-V173 HydrophobicContact CD2-CG2 4.3Å; F171-V173 HydrophobicContact CD1-CG2 3.89Å; F171-V173 HydrophobicContact CE1-CG2 3.9Å; V173-F177 HydrophobicContact CG1-CB 4.42Å; V173-F177 HydrophobicContact CG1-CD1 3.52Å; V173-F177 HydrophobicContact CG1-CE1 3.87Å; V173-F177 HydrophobicContact CG1-CG 3.98Å; V173-V192 HydrophobicContact CG1-CG2 4.37Å
174	P	98	Very high	91.8	Very high	32 Å²	32	52.6 Å²	52.6	21%	0.208	28%	0.282	C	S	.	.			trans	-67.2	173.2	177.4	32	-38.1	0	0	0	111.4	R109 S176 V192	R109-P174 PolarHBondContact NH2-O 3.39Å; P174-S176 PolarHBondContact O-N 2.84Å; P174-V192 HydrophobicContact CG-CG1 3.7Å
175	D	98.4	Very high	92.3	Very high	76 Å²	76	54 Å²	54	41%	0.406	29%	0.293	S	S	.	.	S	Bend	trans	-59.4	-32.2	-178.2	-78.3	3.5	0	0	0	113.2	T103 W104 A105 M106	T103-D175 CarbonylContact C-O 3.53Å; T103-D175 VanDerWaalsContact CA-O 3.26Å; T103-D175 WeakPolarHBondContact CA-O 3.35Å; W104-D175 PolarHBondContact N-O 3.38Å; A105-D175 WeakPolarHBondContact CA-OD1 3.43Å; M106-D175 PolarHBondContact N-OD1 3.48Å
176	S	98.6	Very high	93	Very high	43 Å²	43	53.3 Å²	53.3	30%	0.301	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.5	-179.7	-63.5	0	0	0	0	112.2	I102 T103 P174	I102-S176 VanDerWaalsContact O-CA 3.31Å; I102-S176 WeakPolarHBondContact O-CA 3.25Å; T103-S176 WeakPolarHBondContact CG2-OG 3.48Å; T103-S176 PolarHBondContact OG1-OG 3.16Å; P174-S176 PolarHBondContact O-N 2.84Å
177	F	98.7	Very high	93.8	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	166.3	177.9	58.6	-86.3	0	0	0	109.9	Q101 I102 V115 W142 L144 V173 V179 F190 I191 V192	Q101-F177 WeakPolarHBondContact CA-O 3.46Å; I102-F177 HydrophobicContact CB-CE1 4.35Å; I102-F177 HydrophobicContact CB-CE2 4.2Å; I102-F177 HydrophobicContact CB-CZ 3.99Å; I102-F177 HydrophobicContact CG2-CE1 4.17Å; I102-F177 HydrophobicContact CG2-CZ 3.95Å; I102-F177 PolarHBondContact N-O 2.95Å; I102-F177 PolarHBondContact O-N 3.18Å; I102-F177 VanDerWaalsContact O-N 3.11Å; V115-F177 HydrophobicContact CB-CE2 4.43Å; V115-F177 HydrophobicContact CB-CZ 4.33Å; V115-F177 HydrophobicContact CG1-CE2 4.17Å; V115-F177 HydrophobicContact CG1-CZ 4.38Å; V115-F177 HydrophobicContact CG2-CE2 4.45Å; V115-F177 HydrophobicContact CG2-CZ 3.88Å; W142-F177 HydrophobicContact CZ3-CD2 4.37Å; W142-F177 HydrophobicContact CZ3-CE2 4.4Å; L144-F177 HydrophobicContact CD1-CE1 3.86Å; L144-F177 HydrophobicContact CD1-CZ 3.77Å; L144-F177 HydrophobicContact CD2-CE1 4.3Å; L144-F177 HydrophobicContact CD2-CE2 4.27Å; L144-F177 HydrophobicContact CD2-CZ 3.76Å; L144-F177 HydrophobicContact CG-CZ 4.41Å; V173-F177 HydrophobicContact CG1-CB 4.42Å; V173-F177 HydrophobicContact CG1-CD1 3.52Å; V173-F177 HydrophobicContact CG1-CE1 3.87Å; V173-F177 HydrophobicContact CG1-CG 3.98Å; F177-V179 HydrophobicContact CE2-CG2 4.27Å; F177-F190 HydrophobicContact CD2-CD1 4.29Å; F177-F190 HydrophobicContact CE2-CD1 4.22Å; F177-F190 HydrophobicContact CE2-CE1 4.49Å; F177-I191 WeakPolarHBondContact CB-O 3.5Å; F177-V192 HydrophobicContact CB-CG2 4.04Å
178	L	98.8	Very high	94.9	Very high	24 Å²	24	42.6 Å²	42.6	13%	0.126	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.9	-179.1	-45.6	-178.4	0	0	0	111.3	L41 V99 W100 Q101 F190 I191 L227	L41-L178 HydrophobicContact CD2-CD1 3.75Å; V99-L178 HydrophobicContact CG1-CB 4.14Å; V99-L178 HydrophobicContact CG1-CD1 4.22Å; W100-L178 WeakPolarHBondContact O-CA 3.46Å; Q101-L178 HydrophobicContact CB-CD2 3.66Å; Q101-L178 HydrophobicContact CG-CD2 3.98Å; L178-F190 VanDerWaalsContact O-CA 3.3Å; L178-F190 WeakPolarHBondContact O-CA 3.44Å; L178-I191 HydrophobicContact CB-CB 4.03Å; L178-I191 HydrophobicContact CD1-CB 4.28Å; L178-I191 HydrophobicContact CD1-CD1 4.12Å; L178-I191 HydrophobicContact CD1-CG2 4.49Å; L178-I191 HydrophobicContact CG-CB 4.3Å; L178-I191 PolarHBondContact N-O 2.85Å; L178-I191 PolarHBondContact O-N 2.72Å; L178-L227 HydrophobicContact CD1-CD1 4.19Å; L178-L227 HydrophobicContact CD2-CD1 3.61Å
179	V	98.9	Very high	96.1	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	-109.6	132.8	169.1	-171.2	0	0	0	0	107.5	V99 W100 I102 V115 F177 L188 F190	V99-V179 WeakPolarHBondContact CA-O 3.43Å; W100-V179 HydrophobicContact CD2-CB 4.1Å; W100-V179 HydrophobicContact CD2-CG1 4.48Å; W100-V179 HydrophobicContact CG-CB 4.35Å; W100-V179 HydrophobicContact CH2-CG1 4.08Å; W100-V179 HydrophobicContact CZ2-CB 3.89Å; W100-V179 HydrophobicContact CZ2-CG1 3.39Å; W100-V179 PolarHBondContact N-O 2.86Å; W100-V179 VanDerWaalsContact N-O 3.13Å; W100-V179 PolarHBondContact O-N 3.28Å; I102-V179 HydrophobicContact CG1-CG2 3.93Å; V115-V179 HydrophobicContact CG1-CG2 3.81Å; F177-V179 HydrophobicContact CE2-CG2 4.27Å; V179-L188 HydrophobicContact CG1-CD1 3.56Å; V179-F190 HydrophobicContact CB-CD1 4.39Å; V179-F190 HydrophobicContact CB-CE1 4.33Å; V179-F190 HydrophobicContact CG1-CD1 4.32Å; V179-F190 HydrophobicContact CG1-CE1 3.92Å; V179-F190 HydrophobicContact CG2-CD1 3.99Å; V179-F190 HydrophobicContact CG2-CE1 3.84Å
180	V	98.8	Very high	96.7	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	111.9	-175.6	-177.8	0	0	0	0	108.4	L37 L97 V99 L188 S189 I191	L37-V180 HydrophobicContact CD1-CB 4.42Å; L37-V180 HydrophobicContact CD1-CG1 3.66Å; L37-V180 HydrophobicContact CD1-CG2 3.83Å; L37-V180 HydrophobicContact CD2-CG1 4.02Å; L37-V180 HydrophobicContact CD2-CG2 4.1Å; L37-V180 HydrophobicContact CG-CG1 4.4Å; L97-V180 HydrophobicContact CD1-CG1 3.64Å; V99-V180 HydrophobicContact CG1-CG2 4.39Å; V99-V180 HydrophobicContact CG2-CG1 4.24Å; V99-V180 HydrophobicContact CG2-CG2 4.17Å; V180-L188 WeakPolarHBondContact O-CA 3.4Å; V180-L188 WeakPolarHBondContact O-CD1 3.23Å; V180-S189 PolarHBondContact N-O 2.96Å; V180-S189 PolarHBondContact O-N 3.06Å; V180-I191 HydrophobicContact CG2-CD1 3.99Å; V180-I191 HydrophobicContact CG2-CG1 4.17Å
181	L	98.8	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.9	176.3	177.5	67.7	0	0	0	109.2	Y93 L97 H98 W100 V117 M183 L188 L204 L209	Y93-L181 HydrophobicContact CD2-CD2 3.77Å; Y93-L181 HydrophobicContact CG-CD2 4.3Å; L97-L181 CarbonylContact C-O 3.39Å; H98-L181 PolarHBondContact N-O 3.38Å; H98-L181 PolarHBondContact O-N 3.38Å; W100-L181 HydrophobicContact CH2-CB 3.62Å; W100-L181 HydrophobicContact CH2-CD2 4.04Å; W100-L181 HydrophobicContact CH2-CG 4.46Å; W100-L181 HydrophobicContact CZ3-CB 3.69Å; W100-L181 HydrophobicContact CZ3-CD2 4.28Å; V117-L181 HydrophobicContact CG1-CD1 4.28Å; V117-L181 HydrophobicContact CG1-CD2 4.24Å; L181-M183 HydrophobicContact CD1-SD 3.76Å; L181-M183 HydrophobicContact CD2-CG 4.03Å; L181-M183 HydrophobicContact CD2-SD 3.79Å; L181-M183 HydrophobicContact CG-CG 4.02Å; L181-M183 HydrophobicContact CG-SD 3.82Å; L181-L188 HydrophobicContact CB-CD1 4.38Å; L181-L188 HydrophobicContact CD1-CD1 4.43Å; L181-L204 HydrophobicContact CD1-CD1 3.84Å; L181-L209 HydrophobicContact CD1-CD1 4.31Å; L181-L209 HydrophobicContact CD2-CB 4.26Å
182	D	98.3	Very high	97.8	Very high	16 Å²	16	22.7 Å²	22.7	9%	0.086	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	103.1	171.7	-164.3	-42.6	0	0	0	108.5	L97 D184 D185 G186 T187	L97-D182 HydrophobicContact CD1-CB 3.73Å; D182-D184 VanDerWaalsContact C-N 3.31Å; D182-D184 WeakPolarHBondContact OD1-CA 3.41Å; D182-D184 WeakPolarHBondContact OD1-CB 3.21Å; D182-D184 PolarHBondContact OD1-N 2.93Å; D182-D185 HydrophobicContact CB-CB 4.33Å; D182-D185 PolarHBondContact OD1-N 2.87Å; D182-G186 CarbonylContact O-C 3.56Å; D182-G186 WeakPolarHBondContact O-CA 3.2Å; D182-G186 PolarHBondContact O-N 3.26Å; D182-T187 PolarHBondContact N-O 3.41Å; D182-T187 PolarHBondContact O-N 3.49Å
183	M	98.3	Very high	97.8	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.025	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.8	177.9	-68.8	-57.3	-62.8	0	0	112.4	R95 G96 L181 L204 K207 L209	R95-M183 VanDerWaalsContact CA-CB 3.47Å; G96-M183 PolarHBondContact O-N 3.31Å; L181-M183 HydrophobicContact CD1-SD 3.76Å; L181-M183 HydrophobicContact CD2-CG 4.03Å; L181-M183 HydrophobicContact CD2-SD 3.79Å; L181-M183 HydrophobicContact CG-CG 4.02Å; L181-M183 HydrophobicContact CG-SD 3.82Å; M183-L204 WeakPolarHBondContact CE-O 3.11Å; M183-K207 HydrophobicContact CE-CB 4.48Å; M183-K207 WeakPolarHBondContact CE-O 3.42Å; M183-L209 HydrophobicContact CE-CD1 4.24Å; M183-L209 HydrophobicContact CE-CG 4.32Å; M183-L209 HydrophobicContact SD-CB 4.29Å; M183-L209 HydrophobicContact SD-CD1 3.9Å; M183-L209 HydrophobicContact SD-CG 4.31Å
184	D	95.1	Very high	97.5	Very high	40 Å²	40	26 Å²	26	21%	0.214	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-43.8	177.9	-58.2	-32.8	0	0	0	110.2	R36 G96 D182 K205 P232	R36-D184 IonicContact NH2-OD2 3.74Å; G96-D184 VanDerWaalsContact CA-OD2 3.26Å; G96-D184 WeakPolarHBondContact CA-OD2 3.44Å; G96-D184 VanDerWaalsContact N-CG 3.33Å; G96-D184 PolarHBondContact N-OD1 3.23Å; G96-D184 PolarHBondContact N-OD2 3.26Å; D182-D184 VanDerWaalsContact C-N 3.31Å; D182-D184 WeakPolarHBondContact OD1-CA 3.41Å; D182-D184 WeakPolarHBondContact OD1-CB 3.21Å; D182-D184 PolarHBondContact OD1-N 2.93Å; D184-K205 VanDerWaalsContact O-CD 3.29Å; D184-K205 WeakPolarHBondContact O-CD 3.26Å; D184-K205 WeakPolarHBondContact O-CE 3.42Å; D184-K205 PolarHBondContact O-NZ 3.28Å; D184-P232 WeakPolarHBondContact OD1-CB 3.23Å; D184-P232 WeakPolarHBondContact OD2-CA 3.25Å; D184-P232 WeakPolarHBondContact OD2-CB 3.37Å
185	D	95.8	Very high	97.2	Very high	103 Å²	103	29.5 Å²	29.5	55%	0.551	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.7	172.2	-83.4	-11.4	0	0	0	113.2	D182 T187 K205	D182-D185 HydrophobicContact CB-CB 4.33Å; D182-D185 PolarHBondContact OD1-N 2.87Å; D185-T187 HydrophobicContact CB-CG2 4.18Å; D185-K205 WeakPolarHBondContact O-CE 3.4Å
186	G	98	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	46.1	-180	0	0	0	0	0	111.9	D182 R202 G203 L204	D182-G186 CarbonylContact O-C 3.56Å; D182-G186 WeakPolarHBondContact O-CA 3.2Å; D182-G186 PolarHBondContact O-N 3.26Å; G186-R202 CarbonylContact O-C 3.55Å; G186-R202 WeakPolarHBondContact O-CA 3.43Å; G186-G203 PolarHBondContact O-N 2.88Å; G186-L204 WeakPolarHBondContact O-CB 3.33Å; G186-L204 PolarHBondContact O-N 3.12Å
187	T	98.6	Very high	97	Very high	11 Å²	11	24.5 Å²	24.5	7%	0.067	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.4	-178.2	68.5	0	0	0	0	112.8	D182 D185 V199 F201 R202	D182-T187 PolarHBondContact N-O 3.41Å; D182-T187 PolarHBondContact O-N 3.49Å; D185-T187 HydrophobicContact CB-CG2 4.18Å; T187-V199 HydrophobicContact CG2-CG1 4.07Å; T187-F201 WeakPolarHBondContact CA-O 3.47Å; T187-F201 WeakPolarHBondContact CB-O 3.45Å; T187-R202 HydrophobicContact CG2-CG 4.14Å
188	L	98.8	Very high	96.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.5	169.5	177.9	65.4	0	0	0	108.2	V117 W140 V179 V180 L181 F190 A200 F201 L204	V117-L188 HydrophobicContact CG1-CD1 4.06Å; V117-L188 HydrophobicContact CG1-CD2 4.23Å; V117-L188 HydrophobicContact CG2-CD2 3.94Å; W140-L188 HydrophobicContact CB-CD2 4.47Å; V179-L188 HydrophobicContact CG1-CD1 3.56Å; V180-L188 WeakPolarHBondContact O-CA 3.4Å; V180-L188 WeakPolarHBondContact O-CD1 3.23Å; L181-L188 HydrophobicContact CB-CD1 4.38Å; L181-L188 HydrophobicContact CD1-CD1 4.43Å; L188-F190 HydrophobicContact CD2-CZ 4.3Å; L188-F190 HydrophobicContact CG-CE2 4.38Å; L188-F190 HydrophobicContact CG-CZ 4.39Å; L188-A200 WeakPolarHBondContact O-CA 3.45Å; L188-A200 WeakPolarHBondContact O-CB 3.39Å; L188-A200 PolarHBondContact O-N 3.15Å; L188-F201 HydrophobicContact CB-CB 4.23Å; L188-F201 HydrophobicContact CB-CD2 4.13Å; L188-F201 HydrophobicContact CD2-CD2 3.77Å; L188-F201 HydrophobicContact CD2-CE2 4.16Å; L188-F201 HydrophobicContact CG-CD2 4.25Å; L188-F201 PolarHBondContact N-O 3.18Å; L188-F201 PolarHBondContact O-N 3.11Å; L188-L204 HydrophobicContact CB-CD1 3.73Å
189	S	98.6	Very high	96.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	170.5	-178.4	-53.3	0	0	0	0	110.9	V180 Y196 G198 V199	V180-S189 PolarHBondContact N-O 2.96Å; V180-S189 PolarHBondContact O-N 3.06Å; S189-Y196 VanDerWaalsContact CB-CE2 3.41Å; S189-Y196 PolarHBondContact OG-OH 2.84Å; S189-G198 WeakPolarHBondContact CB-O 3.43Å; S189-V199 WeakPolarHBondContact OG-CA 3.41Å
190	F	98.6	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.4	179.5	-59.4	-91.1	0	0	0	111.6	V115 W142 Y161 F177 L178 V179 L188 M197 A200	V115-F190 HydrophobicContact CG1-CE1 4.29Å; W142-F190 HydrophobicContact CB-CE1 4.45Å; W142-F190 HydrophobicContact CB-CE2 3.81Å; W142-F190 HydrophobicContact CB-CZ 3.71Å; W142-F190 HydrophobicContact CD2-CD2 4.38Å; W142-F190 HydrophobicContact CD2-CE2 4.39Å; W142-F190 HydrophobicContact CE3-CB 4.17Å; W142-F190 AromaticContact CE3-CD1 3.56Å; W142-F190 HydrophobicContact CE3-CD1 3.56Å; W142-F190 AromaticContact CE3-CD2 3.77Å; W142-F190 HydrophobicContact CE3-CD2 3.77Å; W142-F190 AromaticContact CE3-CE1 3.79Å; W142-F190 HydrophobicContact CE3-CE1 3.79Å; W142-F190 AromaticContact CE3-CE2 3.99Å; W142-F190 HydrophobicContact CE3-CE2 3.99Å; W142-F190 AromaticContact CE3-CG 3.55Å; W142-F190 HydrophobicContact CE3-CG 3.55Å; W142-F190 AromaticContact CE3-CZ 4Å; W142-F190 HydrophobicContact CE3-CZ 4Å; W142-F190 HydrophobicContact CG-CE2 4.37Å; W142-F190 HydrophobicContact CZ3-CB 3.87Å; W142-F190 AromaticContact CZ3-CD1 3.88Å; W142-F190 HydrophobicContact CZ3-CD1 3.88Å; W142-F190 HydrophobicContact CZ3-CD2 4.33Å; W142-F190 AromaticContact CZ3-CG 3.76Å; W142-F190 HydrophobicContact CZ3-CG 3.76Å; Y161-F190 HydrophobicContact CE1-CB 4.19Å; Y161-F190 AromaticContact CE1-CD2 3.61Å; Y161-F190 HydrophobicContact CE1-CD2 3.61Å; Y161-F190 HydrophobicContact CE1-CE2 4.44Å; Y161-F190 HydrophobicContact CE1-CG 4.26Å; Y161-F190 AromaticContact CZ-CD2 3.85Å; Y161-F190 PolarHBondContact OH-N 2.69Å; F177-F190 HydrophobicContact CD2-CD1 4.29Å; F177-F190 HydrophobicContact CE2-CD1 4.22Å; F177-F190 HydrophobicContact CE2-CE1 4.49Å; L178-F190 VanDerWaalsContact O-CA 3.3Å; L178-F190 WeakPolarHBondContact O-CA 3.44Å; V179-F190 HydrophobicContact CB-CD1 4.39Å; V179-F190 HydrophobicContact CB-CE1 4.33Å; V179-F190 HydrophobicContact CG1-CD1 4.32Å; V179-F190 HydrophobicContact CG1-CE1 3.92Å; V179-F190 HydrophobicContact CG2-CD1 3.99Å; V179-F190 HydrophobicContact CG2-CE1 3.84Å; L188-F190 HydrophobicContact CD2-CZ 4.3Å; L188-F190 HydrophobicContact CG-CE2 4.38Å; L188-F190 HydrophobicContact CG-CZ 4.39Å; F190-M197 HydrophobicContact CB-CB 4.5Å; F190-M197 WeakPolarHBondContact O-CB 3.33Å; F190-M197 PolarHBondContact O-N 2.85Å; F190-A200 HydrophobicContact CD2-CB 4.07Å; F190-A200 HydrophobicContact CE2-CB 3.83Å
191	I	98.1	Very high	96.7	Very high	5 Å²	5	27 Å²	27	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125	169.4	-59.2	168.8	0	0	0	108.1	K33 L37 L41 F177 L178 V180 G194 Q195 Y196	K33-I191 HydrophobicContact CD-CD1 4.37Å; L37-I191 HydrophobicContact CD1-CD1 4.33Å; L37-I191 HydrophobicContact CD2-CD1 3.88Å; L37-I191 HydrophobicContact CG-CD1 4.3Å; L41-I191 HydrophobicContact CD1-CD1 3.53Å; F177-I191 WeakPolarHBondContact CB-O 3.5Å; L178-I191 HydrophobicContact CB-CB 4.03Å; L178-I191 HydrophobicContact CD1-CB 4.28Å; L178-I191 HydrophobicContact CD1-CD1 4.12Å; L178-I191 HydrophobicContact CD1-CG2 4.49Å; L178-I191 HydrophobicContact CG-CB 4.3Å; L178-I191 PolarHBondContact N-O 2.85Å; L178-I191 PolarHBondContact O-N 2.72Å; V180-I191 HydrophobicContact CG2-CD1 3.99Å; V180-I191 HydrophobicContact CG2-CG1 4.17Å; I191-G194 VanDerWaalsContact CG2-C 3.49Å; I191-Q195 CarbonylContact C-O 3.51Å; I191-Q195 VanDerWaalsContact CA-O 3.23Å; I191-Q195 WeakPolarHBondContact CA-O 3.35Å; I191-Q195 VanDerWaalsContact CG2-O 3.28Å; I191-Q195 WeakPolarHBondContact CG2-O 3.47Å; I191-Y196 HydrophobicContact CG1-CD2 4.07Å
192	V	96.6	Very high	96.6	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.6	178.1	179.2	0	0	0	0	108.1	W142 F171 V173 P174 F177 G194 Q195 M197	W142-V192 HydrophobicContact CH2-CG2 3.9Å; W142-V192 HydrophobicContact CZ3-CG2 4.23Å; F171-V192 HydrophobicContact CE1-CB 4.41Å; F171-V192 HydrophobicContact CE1-CG1 4.18Å; F171-V192 HydrophobicContact CE1-CG2 4.16Å; F171-V192 HydrophobicContact CZ-CB 3.98Å; F171-V192 HydrophobicContact CZ-CG1 3.74Å; F171-V192 HydrophobicContact CZ-CG2 4.22Å; V173-V192 HydrophobicContact CG1-CG2 4.37Å; P174-V192 HydrophobicContact CG-CG1 3.7Å; F177-V192 HydrophobicContact CB-CG2 4.04Å; V192-G194 PolarHBondContact O-N 3.37Å; V192-G194 VanDerWaalsContact O-N 3.07Å; V192-Q195 PolarHBondContact N-O 2.89Å; V192-Q195 WeakPolarHBondContact O-CB 3.3Å; V192-Q195 PolarHBondContact O-N 2.75Å; V192-M197 HydrophobicContact CB-CE 3.95Å; V192-M197 HydrophobicContact CB-CG 4.22Å; V192-M197 HydrophobicContact CB-SD 4.2Å; V192-M197 HydrophobicContact CG2-CG 3.94Å; V192-M197 HydrophobicContact CG2-SD 4.37Å
193	D	93.6	Very high	96.6	Very high	132 Å²	132	37.2 Å²	37.2	71%	0.706	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	38.3	-176.8	-62.7	-37	0	0	0	114	Q195	D193-Q195 PolarHBondContact O-N 3.17Å
194	G	90.3	Very high	96.6	Very high	47 Å²	47	37 Å²	37	49%	0.485	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-6.9	-179.9	0	0	0	0	0	115.4	K33 I191 V192	K33-G194 PolarHBondContact NZ-O 3.07Å; I191-G194 VanDerWaalsContact CG2-C 3.49Å; V192-G194 PolarHBondContact O-N 3.37Å; V192-G194 VanDerWaalsContact O-N 3.07Å
195	Q	92.6	Very high	96.7	Very high	104 Å²	104	40.9 Å²	40.9	49%	0.486	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.8	176.6	-174.4	-176.5	-9.5	0	0	110.8	I191 V192 D193 M197	I191-Q195 CarbonylContact C-O 3.51Å; I191-Q195 VanDerWaalsContact CA-O 3.23Å; I191-Q195 WeakPolarHBondContact CA-O 3.35Å; I191-Q195 VanDerWaalsContact CG2-O 3.28Å; I191-Q195 WeakPolarHBondContact CG2-O 3.47Å; V192-Q195 PolarHBondContact N-O 2.89Å; V192-Q195 WeakPolarHBondContact O-CB 3.3Å; V192-Q195 PolarHBondContact O-N 2.75Å; D193-Q195 PolarHBondContact O-N 3.17Å; Q195-M197 HydrophobicContact CB-CE 3.4Å; Q195-M197 VanDerWaalsContact CB-CE 3.4Å; Q195-M197 HydrophobicContact CG-CE 3.46Å; Q195-M197 VanDerWaalsContact CG-CE 3.46Å; Q195-M197 WeakPolarHBondContact O-CE 3.5Å
196	Y	95.8	Very high	96.6	Very high	13 Å²	13	40 Å²	40	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125	176	179	-112.5	0	0	0	109.8	S32 K33 L37 S189 I191 G198 V199	S32-Y196 VanDerWaalsContact O-CD1 3.3Å; S32-Y196 WeakPolarHBondContact O-CD1 3.49Å; K33-Y196 HydrophobicContact CG-CG 4.27Å; L37-Y196 HydrophobicContact CD2-CD2 3.9Å; L37-Y196 HydrophobicContact CD2-CE2 3.94Å; S189-Y196 VanDerWaalsContact CB-CE2 3.41Å; S189-Y196 PolarHBondContact OG-OH 2.84Å; I191-Y196 HydrophobicContact CG1-CD2 4.07Å; Y196-G198 VanDerWaalsContact C-N 3.25Å; Y196-G198 VanDerWaalsContact CE1-CA 3.49Å; Y196-G198 PolarHBondContact O-N 3.47Å; Y196-V199 WeakPolarHBondContact OH-CG2 3.44Å
197	M	95.2	Very high	96.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	5.6	-172.2	-62.7	-63.9	117.8	0	0	113	Y161 P162 F164 F171 F190 V192 Q195	Y161-M197 HydrophobicContact CE1-CB 3.8Å; Y161-M197 HydrophobicContact CE2-CB 4.4Å; Y161-M197 VanDerWaalsContact CE2-O 3.31Å; Y161-M197 WeakPolarHBondContact CE2-O 3.3Å; Y161-M197 WeakPolarHBondContact OH-CB 3.18Å; Y161-M197 PolarHBondContact OH-O 3.43Å; P162-M197 HydrophobicContact CB-CB 4.39Å; P162-M197 HydrophobicContact CB-SD 4.2Å; P162-M197 HydrophobicContact CG-CB 4.06Å; P162-M197 HydrophobicContact CG-CG 4.08Å; P162-M197 HydrophobicContact CG-SD 3.41Å; P162-M197 WeakPolarHBondContact CG-SD 3.29Å; F164-M197 HydrophobicContact CE1-SD 4.1Å; F164-M197 HydrophobicContact CZ-SD 3.99Å; F171-M197 HydrophobicContact CE1-SD 4.43Å; F171-M197 HydrophobicContact CE2-SD 4.37Å; F171-M197 HydrophobicContact CZ-SD 3.81Å; F190-M197 HydrophobicContact CB-CB 4.5Å; F190-M197 WeakPolarHBondContact O-CB 3.33Å; F190-M197 PolarHBondContact O-N 2.85Å; V192-M197 HydrophobicContact CB-CE 3.95Å; V192-M197 HydrophobicContact CB-CG 4.22Å; V192-M197 HydrophobicContact CB-SD 4.2Å; V192-M197 HydrophobicContact CG2-CG 3.94Å; V192-M197 HydrophobicContact CG2-SD 4.37Å; Q195-M197 HydrophobicContact CB-CE 3.4Å; Q195-M197 VanDerWaalsContact CB-CE 3.4Å; Q195-M197 HydrophobicContact CG-CE 3.46Å; Q195-M197 VanDerWaalsContact CG-CE 3.46Å; Q195-M197 WeakPolarHBondContact O-CE 3.5Å
198	G	95.3	Very high	96.7	Very high	4 Å²	4	48.2 Å²	48.2	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.8	174.3	-174.1	0	0	0	0	0	112.9	Y161 S189 Y196 A200	Y161-G198 PolarHBondContact OH-O 3.28Å; S189-G198 WeakPolarHBondContact CB-O 3.43Å; Y196-G198 VanDerWaalsContact C-N 3.25Å; Y196-G198 VanDerWaalsContact CE1-CA 3.49Å; Y196-G198 PolarHBondContact O-N 3.47Å; G198-A200 PolarHBondContact O-N 3.28Å
199	V	97.2	Very high	96.7	Very high	48 Å²	48	48.2 Å²	48.2	29%	0.291	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.9	179.9	178	0	0	0	0	110.9	T187 S189 Y196 F201 R202	T187-V199 HydrophobicContact CG2-CG1 4.07Å; S189-V199 WeakPolarHBondContact OG-CA 3.41Å; Y196-V199 WeakPolarHBondContact OH-CG2 3.44Å; V199-F201 WeakPolarHBondContact CG1-O 3.43Å; V199-R202 HydrophobicContact CG1-CG 3.67Å
200	A	97.9	Very high	96.7	Very high	15 Å²	15	49.7 Å²	49.7	12%	0.124	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-47.5	175.3	0	0	0	0	0	111.7	L149 Y161 L188 F190 G198	L149-A200 HydrophobicContact CD1-CB 3.65Å; L149-A200 VanDerWaalsContact CD1-O 3.31Å; L149-A200 WeakPolarHBondContact CD1-O 3.32Å; L149-A200 HydrophobicContact CD2-CB 3.73Å; L149-A200 HydrophobicContact CG-CB 4.35Å; Y161-A200 HydrophobicContact CD2-CB 4.16Å; Y161-A200 HydrophobicContact CE2-CB 3.77Å; L188-A200 WeakPolarHBondContact O-CA 3.45Å; L188-A200 WeakPolarHBondContact O-CB 3.39Å; L188-A200 PolarHBondContact O-N 3.15Å; F190-A200 HydrophobicContact CD2-CB 4.07Å; F190-A200 HydrophobicContact CE2-CB 3.83Å; G198-A200 PolarHBondContact O-N 3.28Å
201	F	98.5	Very high	96.7	Very high	19 Å²	19	49.7 Å²	49.7	8%	0.083	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.6	-178.8	-55.7	-85.3	0	0	0	111.9	W140 G141 L149 Y150 H151 T187 L188 V199	W140-F201 HydrophobicContact CB-CD1 4.13Å; W140-F201 HydrophobicContact CB-CD2 3.93Å; W140-F201 HydrophobicContact CB-CE1 4.17Å; W140-F201 HydrophobicContact CB-CE2 3.95Å; W140-F201 HydrophobicContact CB-CG 3.98Å; W140-F201 HydrophobicContact CB-CZ 4.06Å; W140-F201 AromaticContact CD1-CD1 3.53Å; W140-F201 AromaticContact CD1-CG 3.8Å; W140-F201 HydrophobicContact CG-CD1 4.23Å; W140-F201 HydrophobicContact CG-CG 4.23Å; G141-F201 WeakPolarHBondContact O-CZ 3.49Å; L149-F201 HydrophobicContact CB-CE1 3.94Å; L149-F201 HydrophobicContact CB-CE2 4.39Å; L149-F201 HydrophobicContact CB-CZ 3.65Å; L149-F201 HydrophobicContact CD2-CE2 3.78Å; L149-F201 HydrophobicContact CD2-CZ 3.88Å; L149-F201 HydrophobicContact CG-CE2 4.48Å; L149-F201 HydrophobicContact CG-CZ 4.2Å; Y150-F201 WeakPolarHBondContact O-CZ 3.31Å; H151-F201 HydrophobicContact CB-CD1 4.24Å; H151-F201 HydrophobicContact CB-CE1 3.84Å; T187-F201 WeakPolarHBondContact CA-O 3.47Å; T187-F201 WeakPolarHBondContact CB-O 3.45Å; L188-F201 HydrophobicContact CB-CB 4.23Å; L188-F201 HydrophobicContact CB-CD2 4.13Å; L188-F201 HydrophobicContact CD2-CD2 3.77Å; L188-F201 HydrophobicContact CD2-CE2 4.16Å; L188-F201 HydrophobicContact CG-CD2 4.25Å; L188-F201 PolarHBondContact N-O 3.18Å; L188-F201 PolarHBondContact O-N 3.11Å; V199-F201 WeakPolarHBondContact CG1-O 3.43Å
202	R	98.1	Very high	96.7	Very high	170 Å²	170	49.6 Å²	49.6	64%	0.642	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	167.3	174.9	-62.6	-172.4	177.7	-83.9	3.5	109.5	G186 T187 V199	G186-R202 CarbonylContact O-C 3.55Å; G186-R202 WeakPolarHBondContact O-CA 3.43Å; T187-R202 HydrophobicContact CG2-CG 4.14Å; V199-R202 HydrophobicContact CG1-CG 3.67Å
203	G	97.9	Very high	96.9	Very high	59 Å²	59	49.5 Å²	49.5	61%	0.608	28%	0.28	S	S	*	.			trans	84	25.2	176.6	0	0	0	0	0	113.7	G186	G186-G203 PolarHBondContact O-N 2.88Å
204	L	98.6	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.			trans	-89.3	-8	-178.5	-54.3	-177.3	0	0	0	113.8	V117 W140 L181 M183 G186 L188 K207 L209	V117-L204 HydrophobicContact CG2-CD1 4.46Å; W140-L204 HydrophobicContact CD2-CD2 3.58Å; W140-L204 HydrophobicContact CE3-CD2 4.13Å; W140-L204 HydrophobicContact CG-CD2 3.98Å; W140-L204 HydrophobicContact CH2-CD2 4.39Å; W140-L204 HydrophobicContact CZ2-CD2 3.83Å; L181-L204 HydrophobicContact CD1-CD1 3.84Å; M183-L204 WeakPolarHBondContact CE-O 3.11Å; G186-L204 WeakPolarHBondContact O-CB 3.33Å; G186-L204 PolarHBondContact O-N 3.12Å; L188-L204 HydrophobicContact CB-CD1 3.73Å; L204-K207 WeakPolarHBondContact O-CB 3.4Å; L204-K207 PolarHBondContact O-N 3.38Å; L204-L209 HydrophobicContact CB-CD1 3.74Å; L204-L209 HydrophobicContact CD1-CD1 4.01Å; L204-L209 HydrophobicContact CD2-CD1 4.02Å; L204-L209 HydrophobicContact CG-CD1 4.13Å
205	K	96.7	Very high	97.5	Very high	122 Å²	122	41 Å²	41	53%	0.53	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	145.6	-179.6	-58.6	-163.8	-167.5	-154.1	0	111.4	D184 D185 K207	D184-K205 VanDerWaalsContact O-CD 3.29Å; D184-K205 WeakPolarHBondContact O-CD 3.26Å; D184-K205 WeakPolarHBondContact O-CE 3.42Å; D184-K205 PolarHBondContact O-NZ 3.28Å; D185-K205 WeakPolarHBondContact O-CE 3.4Å; K205-K207 PolarHBondContact O-N 3.42Å
206	G	94.8	Very high	97.8	Very high	84 Å²	84	36.4 Å²	36.4	87%	0.866	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	5.9	177	0	0	0	0	0	114.8
207	K	98.3	Very high	97.9	Very high	78 Å²	78	41.4 Å²	41.4	34%	0.339	22%	0.221	S	C	.	.			trans	-98.5	164.3	174.6	-58.5	-177.6	-176	-64.5	0	110.6	W140 M183 L204 K205 L209	W140-K207 HydrophobicContact CH2-CD 3.54Å; W140-K207 HydrophobicContact CZ2-CD 4Å; W140-K207 HydrophobicContact CZ3-CD 4.33Å; M183-K207 HydrophobicContact CE-CB 4.48Å; M183-K207 WeakPolarHBondContact CE-O 3.42Å; L204-K207 WeakPolarHBondContact O-CB 3.4Å; L204-K207 PolarHBondContact O-N 3.38Å; K205-K207 PolarHBondContact O-N 3.42Å; K207-L209 HydrophobicContact CB-CD1 4.29Å; K207-L209 HydrophobicContact CB-CD2 3.98Å; K207-L209 HydrophobicContact CB-CG 3.86Å; K207-L209 HydrophobicContact CD-CD2 4.26Å
208	K	98.7	Very high	98.1	Very high	107 Å²	107	42.3 Å²	42.3	47%	0.465	23%	0.231	S	C	.	.			trans	-108.4	112	163	-175.1	176.4	-174.5	-171.9	0	108.4	G92 Y93 T94 Y210	G92-K208 WeakPolarHBondContact O-CE 3.46Å; Y93-K208 WeakPolarHBondContact O-CA 3.48Å; T94-K208 HydrophobicContact CG2-CB 3.73Å; T94-K208 HydrophobicContact CG2-CD 4.32Å; T94-K208 HydrophobicContact CG2-CG 3.76Å; K208-Y210 HydrophobicContact CD-CE2 4.22Å; K208-Y210 WeakPolarHBondContact CE-OH 3.45Å; K208-Y210 HydrophobicContact CG-CE2 3.97Å; K208-Y210 PolarHBondContact NZ-OH 3.01Å; K208-Y210 VanDerWaalsContact NZ-OH 3.14Å
209	L	98.9	Very high	98.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-119.1	132	-170.3	-63.9	-179.6	0	0	0	112.1	G92 Y93 V117 A118 T119 W140 L181 M183 L204 K207	G92-L209 CarbonylContact C-O 3.42Å; G92-L209 WeakPolarHBondContact CA-O 3.25Å; Y93-L209 WeakPolarHBondContact CD2-O 3.43Å; Y93-L209 PolarHBondContact N-O 2.99Å; Y93-L209 PolarHBondContact O-N 3.05Å; V117-L209 HydrophobicContact CB-CB 4.22Å; V117-L209 HydrophobicContact CG2-CB 4.37Å; V117-L209 HydrophobicContact CG2-CD1 3.9Å; A118-L209 WeakPolarHBondContact O-CA 3.28Å; T119-L209 HydrophobicContact CG2-CD2 4Å; W140-L209 HydrophobicContact CE3-CD2 4.08Å; W140-L209 HydrophobicContact CH2-CD2 4.19Å; W140-L209 HydrophobicContact CZ3-CD2 3.44Å; W140-L209 VanDerWaalsContact CZ3-CD2 3.44Å; L181-L209 HydrophobicContact CD1-CD1 4.31Å; L181-L209 HydrophobicContact CD2-CB 4.26Å; M183-L209 HydrophobicContact CE-CD1 4.24Å; M183-L209 HydrophobicContact CE-CG 4.32Å; M183-L209 HydrophobicContact SD-CB 4.29Å; M183-L209 HydrophobicContact SD-CD1 3.9Å; M183-L209 HydrophobicContact SD-CG 4.31Å; L204-L209 HydrophobicContact CB-CD1 3.74Å; L204-L209 HydrophobicContact CD1-CD1 4.01Å; L204-L209 HydrophobicContact CD2-CD1 4.02Å; L204-L209 HydrophobicContact CG-CD1 4.13Å; K207-L209 HydrophobicContact CB-CD1 4.29Å; K207-L209 HydrophobicContact CB-CD2 3.98Å; K207-L209 HydrophobicContact CB-CG 3.86Å; K207-L209 HydrophobicContact CD-CD2 4.26Å
210	Y	98.9	Very high	98.3	Very high	31 Å²	31	44.9 Å²	44.9	12%	0.122	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.9	-178.8	-62.1	-99.4	0	0	0	109.1	G89 G92 V117 A118 A120 K208 V212	G89-Y210 WeakPolarHBondContact O-CD1 3.13Å; G92-Y210 VanDerWaalsContact CA-CD1 3.44Å; G92-Y210 VanDerWaalsContact CA-CE1 3.42Å; G92-Y210 VanDerWaalsContact N-CE1 3.26Å; V117-Y210 CarbonylContact C-O 3.51Å; V117-Y210 WeakPolarHBondContact CA-O 3.48Å; A118-Y210 PolarHBondContact N-O 3.18Å; A118-Y210 PolarHBondContact O-N 3.15Å; A120-Y210 HydrophobicContact CB-CE2 4.17Å; K208-Y210 HydrophobicContact CD-CE2 4.22Å; K208-Y210 WeakPolarHBondContact CE-OH 3.45Å; K208-Y210 HydrophobicContact CG-CE2 3.97Å; K208-Y210 PolarHBondContact NZ-OH 3.01Å; K208-Y210 VanDerWaalsContact NZ-OH 3.14Å; Y210-V212 PolarHBondContact O-N 3.42Å
211	P	98.9	Very high	98.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	136.8	164.8	-23.3	34.2	0	0	0	109.9	R88 G89 V91 Y93 W100 M224	R88-P211 CarbonylContact C-O 3.6Å; R88-P211 VanDerWaalsContact CA-O 3.26Å; R88-P211 WeakPolarHBondContact CA-O 3.12Å; G89-P211 PolarHBondContact N-O 2.84Å; V91-P211 WeakPolarHBondContact O-CD 3.32Å; Y93-P211 HydrophobicContact CE2-CG 3.78Å; W100-P211 HydrophobicContact CD2-CB 4.45Å; W100-P211 HydrophobicContact CD2-CG 4.17Å; W100-P211 HydrophobicContact CE3-CG 4.34Å; W100-P211 HydrophobicContact CH2-CB 4.43Å; W100-P211 HydrophobicContact CH2-CG 4.01Å; W100-P211 HydrophobicContact CZ2-CB 3.77Å; W100-P211 HydrophobicContact CZ2-CG 3.81Å; W100-P211 HydrophobicContact CZ3-CG 4.27Å; P211-M224 HydrophobicContact CB-CE 4.29Å; P211-M224 HydrophobicContact CB-SD 3.5Å; P211-M224 VanDerWaalsContact CB-SD 3.5Å; P211-M224 HydrophobicContact CG-SD 4.04Å
212	V	98.9	Very high	98.4	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.2	178.9	72.2	0	0	0	0	110.6	A86 I87 R88 G116 A118 L124 V133 Y210	A86-V212 HydrophobicContact CB-CG2 4.33Å; I87-V212 WeakPolarHBondContact O-CA 3.4Å; I87-V212 WeakPolarHBondContact O-CG2 3.41Å; R88-V212 HydrophobicContact CG-CB 4.13Å; R88-V212 HydrophobicContact CG-CG2 3.97Å; G116-V212 PolarHBondContact N-O 3.49Å; G116-V212 PolarHBondContact O-N 3.23Å; A118-V212 HydrophobicContact CB-CB 4.11Å; A118-V212 HydrophobicContact CB-CG1 3.71Å; A118-V212 HydrophobicContact CB-CG2 4.42Å; L124-V212 HydrophobicContact CD2-CG2 4.17Å; V133-V212 HydrophobicContact CB-CG1 4.46Å; V133-V212 HydrophobicContact CG1-CG1 3.69Å; V133-V212 HydrophobicContact CG2-CB 4.49Å; V133-V212 HydrophobicContact CG2-CG1 3.8Å; V133-V212 HydrophobicContact CG2-CG2 3.9Å; Y210-V212 PolarHBondContact O-N 3.42Å
213	V	98.9	Very high	98.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.7	165.4	-57.5	0	0	0	0	110	W56 F75 A86 I87 I102 W104 V114 V115	W56-V213 HydrophobicContact CH2-CG1 3.88Å; W56-V213 HydrophobicContact CH2-CG2 4.09Å; W56-V213 HydrophobicContact CZ2-CG1 4.37Å; W56-V213 HydrophobicContact CZ2-CG2 4.31Å; F75-V213 HydrophobicContact CE1-CG2 3.4Å; F75-V213 VanDerWaalsContact CE1-CG2 3.4Å; F75-V213 HydrophobicContact CZ-CG2 3.51Å; A86-V213 WeakPolarHBondContact CA-O 3.47Å; A86-V213 WeakPolarHBondContact CB-O 3.12Å; I87-V213 HydrophobicContact CG2-CG2 4.31Å; I87-V213 PolarHBondContact N-O 2.94Å; I102-V213 HydrophobicContact CD1-CG1 4.45Å; W104-V213 HydrophobicContact CZ3-CB 4.2Å; V114-V213 CarbonylContact O-C 3.56Å; V114-V213 WeakPolarHBondContact O-CA 3.41Å; V114-V213 WeakPolarHBondContact O-CB 3.41Å; V115-V213 HydrophobicContact CB-CG1 4.18Å; V115-V213 HydrophobicContact CG1-CG1 4.09Å; V115-V213 HydrophobicContact CG2-CB 4.49Å; V115-V213 HydrophobicContact CG2-CG1 3.73Å
214	S	98.9	Very high	98.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.3	164.8	58.7	0	0	0	0	111.3	D85 W104 V114 V133	D85-S214 CarbonylContact O-C 3.57Å; D85-S214 WeakPolarHBondContact O-CA 3.42Å; W104-S214 WeakPolarHBondContact CH2-O 3.33Å; V114-S214 WeakPolarHBondContact CB-OG 3.41Å; V114-S214 PolarHBondContact N-O 2.93Å; V114-S214 VanDerWaalsContact N-O 3.1Å; V114-S214 PolarHBondContact O-N 2.95Å; V133-S214 PolarHBondContact N-OG 2.88Å
215	A	98.8	Very high	98.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.7	-174.5	0	0	0	0	0	112.3	R77 D85 W104	R77-A215 PolarHBondContact NE-O 2.9Å; D85-A215 PolarHBondContact N-O 3.25Å; D85-A215 PolarHBondContact O-N 3.33Å; W104-A215 HydrophobicContact CH2-CB 3.63Å; W104-A215 HydrophobicContact CZ2-CB 3.58Å
216	V	98.8	Very high	98.6	Very high	9 Å²	9	40 Å²	40	6%	0.055	20%	0.198	C	C	.	.			trans	-121.3	-11.5	176.9	-60.9	0	0	0	0	113.5	R77 T84 H112 Y129	R77-V216 VanDerWaalsContact NH1-C 3.33Å; R77-V216 PolarHBondContact NH1-O 2.91Å; T84-V216 HydrophobicContact CG2-CG1 3.97Å; H112-V216 HydrophobicContact CB-CG1 3.97Å; H112-V216 HydrophobicContact CB-CG2 4.29Å; Y129-V216 HydrophobicContact CD1-CB 3.74Å; Y129-V216 HydrophobicContact CD1-CG1 3.92Å; Y129-V216 HydrophobicContact CE1-CB 4.33Å; Y129-V216 HydrophobicContact CG-CB 4.45Å; Y129-V216 HydrophobicContact CG-CG1 4.48Å
217	W	98.6	Very high	98.7	Very high	117 Å²	117	37.2 Å²	37.2	44%	0.443	16%	0.163	S	C	.	.	S	Bend	trans	-78.8	133.8	-174.8	-170	-94.9	0	0	0	111.3	R77 Q108 G110 C220	R77-W217 WeakPolarHBondContact CD-O 3.39Å; R77-W217 PolarHBondContact NH1-O 2.75Å; Q108-W217 HydrophobicContact CB-CG 4.42Å; Q108-W217 WeakPolarHBondContact O-CB 3.18Å; G110-W217 VanDerWaalsContact CA-CE3 3.43Å; W217-C220 HydrophobicContact CB-CB 4.04Å; W217-C220 HydrophobicContact CG-CB 4.41Å; W217-C220 PolarHBondContact O-SG 3.09Å
218	G	98.5	Very high	98.7	Very high	21 Å²	21	34.3 Å²	34.3	22%	0.216	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	135.6	175.5	0	0	0	0	0	110.8	C220	G218-C220 PolarHBondContact O-N 2.9Å
219	H	98.5	Very high	98.5	Very high	107 Å²	107	30.4 Å²	30.4	50%	0.495	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	22.1	-177.7	-48.1	-80.2	0	0	0	114.9	H76 R77 P79	H76-H219 VanDerWaalsContact CE1-CA 3.49Å; H76-H219 WeakPolarHBondContact CE1-CA 3.45Å; H76-H219 AromaticContact CE1-ND1 3.73Å; H76-H219 AromaticContact NE2-ND1 3.59Å; R77-H219 VanDerWaalsContact O-CA 3.28Å; R77-H219 WeakPolarHBondContact O-CA 3.43Å; R77-H219 PolarHBondContact O-N 3.4Å; P79-H219 WeakPolarHBondContact CG-NE2 3.47Å
220	C	98.8	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.145	C	C	.	.			trans	-68.4	142.2	168.5	63	0	0	0	0	110.3	H76 R77 Q108 W217 G218 I222	H76-C220 WeakPolarHBondContact CA-O 3.31Å; R77-C220 VanDerWaalsContact CB-SG 3.55Å; R77-C220 PolarHBondContact N-O 3.02Å; Q108-C220 HydrophobicContact CB-CB 3.81Å; Q108-C220 WeakPolarHBondContact O-CB 3.47Å; W217-C220 HydrophobicContact CB-CB 4.04Å; W217-C220 HydrophobicContact CG-CB 4.41Å; W217-C220 PolarHBondContact O-SG 3.09Å; G218-C220 PolarHBondContact O-N 2.9Å; C220-I222 HydrophobicContact CB-CD1 3.84Å; C220-I222 WeakPolarHBondContact SG-CD1 3.35Å
221	E	98.8	Very high	97.7	Very high	64 Å²	64	33.7 Å²	33.7	30%	0.299	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	170.4	-70.5	-170.6	171.8	0	0	108.5	K68 I74 F75 H76	K68-E221 HydrophobicContact CD-CG 4.48Å; K68-E221 WeakPolarHBondContact CD-OE1 3.46Å; K68-E221 WeakPolarHBondContact CE-OE1 3.39Å; K68-E221 IonicContact NZ-OE1 3.67Å; K68-E221 PolarHBondContact NZ-OE1 3.11Å; K68-E221 IonicContact NZ-OE2 2.68Å; K68-E221 PolarHBondContact NZ-OE2 2.89Å; I74-E221 HydrophobicContact CG2-CB 3.77Å; I74-E221 HydrophobicContact CG2-CG 4.19Å; F75-E221 VanDerWaalsContact O-CA 3.31Å; F75-E221 WeakPolarHBondContact O-CA 3.26Å; H76-E221 HydrophobicContact CB-CG 4.36Å; H76-E221 IonicContact ND1-OE1 3.37Å
222	I	98.9	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.5	179.6	-58.5	74.4	0	0	0	108.6	W56 I74 F75 I102 W104 C220	W56-I222 HydrophobicContact CZ2-CG2 4.2Å; W56-I222 PolarHBondContact NE1-O 3.46Å; W56-I222 VanDerWaalsContact NE1-O 3.11Å; I74-I222 WeakPolarHBondContact CA-O 3.38Å; F75-I222 HydrophobicContact CD1-CB 4.14Å; F75-I222 HydrophobicContact CE1-CB 3.54Å; F75-I222 HydrophobicContact CE1-CD1 4.1Å; F75-I222 HydrophobicContact CE1-CG1 4.08Å; F75-I222 HydrophobicContact CE1-CG2 4.13Å; F75-I222 HydrophobicContact CE2-CD1 3.7Å; F75-I222 HydrophobicContact CZ-CB 3.83Å; F75-I222 HydrophobicContact CZ-CD1 3.43Å; F75-I222 VanDerWaalsContact CZ-CD1 3.43Å; F75-I222 HydrophobicContact CZ-CG1 3.84Å; F75-I222 PolarHBondContact N-O 3.22Å; F75-I222 PolarHBondContact O-N 3.47Å; F75-I222 VanDerWaalsContact O-N 3.1Å; I102-I222 HydrophobicContact CG2-CG2 3.93Å; W104-I222 HydrophobicContact CB-CG1 4.19Å; W104-I222 HydrophobicContact CB-CG2 4.26Å; W104-I222 HydrophobicContact CD2-CD1 4.28Å; W104-I222 HydrophobicContact CD2-CG1 3.47Å; W104-I222 VanDerWaalsContact CD2-CG1 3.47Å; W104-I222 HydrophobicContact CE3-CG1 3.92Å; W104-I222 HydrophobicContact CE3-CG2 4.45Å; W104-I222 HydrophobicContact CG-CG1 3.61Å; W104-I222 HydrophobicContact CG-CG2 4.5Å; W104-I222 HydrophobicContact CZ2-CD1 4.27Å; W104-I222 HydrophobicContact CZ2-CG1 4.26Å; W104-I222 HydrophobicContact CZ3-CG1 4.46Å; C220-I222 HydrophobicContact CB-CD1 3.84Å; C220-I222 WeakPolarHBondContact SG-CD1 3.35Å
223	R	98.9	Very high	95.8	Very high	106 Å²	106	43 Å²	43	40%	0.4	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.2	173.8	-167.2	179.6	-89	166.4	-7.1	110.3	D71 L73 I74 I102 T103	D71-R223 IonicContact OD2-CZ 3.75Å; D71-R223 VanDerWaalsContact OD2-CZ 3.29Å; D71-R223 IonicContact OD2-NE 3.52Å; D71-R223 PolarHBondContact OD2-NE 2.73Å; D71-R223 VanDerWaalsContact OD2-NE 3.13Å; D71-R223 IonicContact OD2-NH2 2.77Å; D71-R223 PolarHBondContact OD2-NH2 3.08Å; L73-R223 HydrophobicContact CB-CG 3.87Å; L73-R223 CarbonylContact O-C 3.36Å; L73-R223 VanDerWaalsContact O-CA 3.3Å; L73-R223 WeakPolarHBondContact O-CA 3.28Å; I74-R223 HydrophobicContact CD1-CB 4.49Å; I74-R223 HydrophobicContact CG1-CB 3.77Å; I74-R223 HydrophobicContact CG1-CG 3.81Å; I102-R223 WeakPolarHBondContact CA-O 3.03Å; T103-R223 PolarHBondContact N-O 3.16Å; T103-R223 PolarHBondContact O-N 3.38Å
224	M	98.9	Very high	94.7	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125	164.3	179.5	174.3	65.2	0	0	110.4	H54 W56 L73 W100 Q101 I102 P211	H54-M224 WeakPolarHBondContact O-CE 3.09Å; W56-M224 HydrophobicContact CD2-CB 4.21Å; W56-M224 HydrophobicContact CD2-CE 3.83Å; W56-M224 VanDerWaalsContact CE2-CB 3.45Å; W56-M224 HydrophobicContact CE3-CE 3.65Å; W56-M224 HydrophobicContact CE3-SD 4.31Å; W56-M224 HydrophobicContact CG-CE 4.45Å; W56-M224 HydrophobicContact CH2-CB 4.05Å; W56-M224 HydrophobicContact CH2-CE 4.15Å; W56-M224 HydrophobicContact CH2-CG 4.45Å; W56-M224 HydrophobicContact CH2-SD 3.72Å; W56-M224 HydrophobicContact CZ2-CB 3.4Å; W56-M224 VanDerWaalsContact CZ2-CB 3.4Å; W56-M224 HydrophobicContact CZ2-CE 4.38Å; W56-M224 HydrophobicContact CZ2-CG 4.27Å; W56-M224 HydrophobicContact CZ2-SD 4.09Å; W56-M224 HydrophobicContact CZ3-CE 3.8Å; W56-M224 HydrophobicContact CZ3-SD 3.86Å; L73-M224 PolarHBondContact O-N 3.03Å; W100-M224 HydrophobicContact CB-CG 4.29Å; W100-M224 HydrophobicContact CG-CG 4.26Å; W100-M224 HydrophobicContact CG-SD 4.23Å; Q101-M224 WeakPolarHBondContact O-CA 3.34Å; I102-M224 HydrophobicContact CD1-CB 3.87Å; I102-M224 HydrophobicContact CD1-CG 3.94Å; I102-M224 HydrophobicContact CD1-SD 4.38Å; P211-M224 HydrophobicContact CB-CE 4.29Å; P211-M224 HydrophobicContact CB-SD 3.5Å; P211-M224 VanDerWaalsContact CB-SD 3.5Å; P211-M224 HydrophobicContact CG-SD 4.04Å
225	R	98.7	Very high	93.6	Very high	94 Å²	94	50.5 Å²	50.5	36%	0.355	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.1	176.5	-176.3	174	62.4	170.2	-0.1	110	Q51 W100 Q101 L227	Q51-R225 HydrophobicContact CG-CG 4.12Å; Q51-R225 VanDerWaalsContact OE1-CG 3.31Å; W100-R225 CarbonylContact C-O 3.59Å; W100-R225 WeakPolarHBondContact CA-O 3.4Å; Q101-R225 HydrophobicContact CB-CB 4.49Å; Q101-R225 PolarHBondContact N-O 3.23Å; Q101-R225 PolarHBondContact O-N 2.75Å; R225-L227 HydrophobicContact CG-CD2 4.31Å; R225-L227 PolarHBondContact O-N 3.2Å
226	Y	98.8	Very high	92.9	Very high	15 Å²	15	54 Å²	54	6%	0.059	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.6	171.8	-172.6	-106.6	0	0	0	110.1	V46 V50 Q51 H54 Y93 H98 W100 N228 G229	V46-Y226 HydrophobicContact CG1-CE1 4.46Å; V46-Y226 HydrophobicContact CG2-CD1 3.85Å; V46-Y226 WeakPolarHBondContact CG2-O 3.32Å; V50-Y226 HydrophobicContact CG1-CD1 4.3Å; Q51-Y226 WeakPolarHBondContact CG-O 3.4Å; H54-Y226 HydrophobicContact CB-CD1 4.24Å; H54-Y226 HydrophobicContact CB-CD2 4.04Å; H54-Y226 HydrophobicContact CB-CG 3.7Å; H54-Y226 AromaticContact CD2-CD1 3.95Å; H54-Y226 AromaticContact CE1-CE1 3.88Å; H54-Y226 AromaticContact CE1-CZ 3.75Å; H54-Y226 AromaticContact CG-CD1 3.84Å; H54-Y226 AromaticContact CG-CD2 3.97Å; H54-Y226 AromaticContact CG-CG 3.71Å; H54-Y226 AromaticContact ND1-CD2 3.75Å; H54-Y226 AromaticContact ND1-CE2 3.69Å; H54-Y226 AromaticContact ND1-CG 3.93Å; H54-Y226 AromaticContact ND1-CZ 3.81Å; H54-Y226 AromaticContact NE2-CE1 3.99Å; Y93-Y226 HydrophobicContact CE1-CE2 4.21Å; Y93-Y226 AromaticContact CZ-CE2 3.98Å; Y93-Y226 WeakPolarHBondContact OH-CD2 3.42Å; Y93-Y226 WeakPolarHBondContact OH-CE2 3.47Å; H98-Y226 HydrophobicContact CB-CE2 4.18Å; H98-Y226 AromaticContact ND1-CZ 3.9Å; H98-Y226 PolarHBondContact ND1-OH 2.72Å; W100-Y226 HydrophobicContact CB-CD2 4.36Å; Y226-N228 VanDerWaalsContact CZ-C 3.49Å; Y226-N228 VanDerWaalsContact CZ-O 3.32Å; Y226-N228 PolarHBondContact OH-O 2.8Å; Y226-G229 VanDerWaalsContact OH-CA 3.29Å; Y226-G229 WeakPolarHBondContact OH-CA 3.43Å; Y226-G229 PolarHBondContact OH-N 3.18Å
227	L	97.9	Very high	92.3	Very high	26 Å²	26	59.9 Å²	59.9	14%	0.136	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-53.2	-175.8	-63.7	-171.5	0	0	0	111.7	V46 V99 Q101 L178 R225	V46-L227 WeakPolarHBondContact CG1-O 3.45Å; V46-L227 WeakPolarHBondContact CG2-O 3.14Å; V46-L227 PolarHBondContact N-O 3.06Å; V99-L227 HydrophobicContact CG1-CB 4.48Å; V99-L227 HydrophobicContact CG1-CD1 4.06Å; V99-L227 PolarHBondContact O-N 2.88Å; Q101-L227 HydrophobicContact CB-CD2 4.46Å; L178-L227 HydrophobicContact CD1-CD1 4.19Å; L178-L227 HydrophobicContact CD2-CD1 3.61Å; R225-L227 HydrophobicContact CG-CD2 4.31Å; R225-L227 PolarHBondContact O-N 3.2Å
228	N	97.1	Very high	91.8	Very high	17 Å²	17	60 Å²	60	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	169.6	179.2	-117.9	-41.2	0	0	0	111.7	L40 P44 V46 V99 Y226	L40-N228 HydrophobicContact CD2-CB 3.46Å; L40-N228 VanDerWaalsContact CD2-CB 3.46Å; L40-N228 HydrophobicContact CG-CB 3.86Å; P44-N228 PolarHBondContact O-ND2 2.85Å; V46-N228 WeakPolarHBondContact CG1-OD1 3.47Å; V99-N228 PolarHBondContact N-O 3.25Å; V99-N228 PolarHBondContact O-N 3Å; Y226-N228 VanDerWaalsContact CZ-C 3.49Å; Y226-N228 VanDerWaalsContact CZ-O 3.32Å; Y226-N228 PolarHBondContact OH-O 2.8Å
229	G	95.5	Very high	91.1	Very high	24 Å²	24	61.4 Å²	61.4	25%	0.247	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.7	167.8	0	0	0	0	0	112.1	L97 Y226	L97-G229 CarbonylContact O-C 3.59Å; L97-G229 WeakPolarHBondContact O-CA 3.3Å; Y226-G229 VanDerWaalsContact OH-CA 3.29Å; Y226-G229 WeakPolarHBondContact OH-CA 3.43Å; Y226-G229 PolarHBondContact OH-N 3.18Å
230	L	93.6	Very high	90.5	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.084	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.4	170.2	-71.6	177.8	0	0	0	109.1	R36 L40 M43 G96 L97 L235	R36-L230 WeakPolarHBondContact O-CD1 3.23Å; L40-L230 HydrophobicContact CB-CD1 3.77Å; L40-L230 HydrophobicContact CB-CG 4.09Å; L40-L230 HydrophobicContact CD1-CB 4.35Å; L40-L230 HydrophobicContact CD1-CD1 4.27Å; L40-L230 HydrophobicContact CD1-CG 3.93Å; L40-L230 HydrophobicContact CG-CD1 4.35Å; L40-L230 HydrophobicContact CG-CG 4.13Å; M43-L230 HydrophobicContact SD-CD2 3.85Å; G96-L230 CarbonylContact C-O 3.41Å; G96-L230 WeakPolarHBondContact CA-O 3.3Å; L97-L230 HydrophobicContact CB-CB 4.4Å; L97-L230 PolarHBondContact N-O 3.11Å; L97-L230 PolarHBondContact O-N 3.39Å; L230-L235 HydrophobicContact CD1-CD2 4.29Å; L230-L235 HydrophobicContact CD2-CD2 3.89Å
231	D	88	Confident	90.1	Very high	85 Å²	85	63 Å²	63	46%	0.455	33%	0.334	S	S	.	.			trans	-64.6	158.5	170	-84.8	-57.7	0	0	0	111.1	R36 R95 E233	R36-D231 PolarHBondContact NH2-O 2.81Å; R95-D231 IonicContact CZ-OD1 2.81Å; R95-D231 IonicContact NE-OD1 3.67Å; R95-D231 PolarHBondContact NE-OD1 2.82Å; R95-D231 IonicContact NH2-OD1 3.22Å; R95-D231 PolarHBondContact NH2-OD1 3.44Å; D231-E233 PolarHBondContact O-N 2.96Å
232	P	79.4	Confident	89.7	Confident	60 Å²	60	61.5 Å²	61.5	39%	0.39	33%	0.326	S	S	.	.	S	Bend	trans	-60.7	-8.7	178.8	16.8	-28.5	0	0	0	115.1	R95 D184	R95-P232 HydrophobicContact CB-CG 4.43Å; D184-P232 WeakPolarHBondContact OD1-CB 3.23Å; D184-P232 WeakPolarHBondContact OD2-CA 3.25Å; D184-P232 WeakPolarHBondContact OD2-CB 3.37Å
233	E	77.3	Confident	89.1	Confident	139 Å²	139	63.7 Å²	63.7	65%	0.65	33%	0.334	S	S	*	.	S	Bend	trans	-66.4	151.2	-175.8	-64.1	-174.1	179.7	0	0	112.2	R36 D231 L235	R36-E233 PolarHBondContact NH1-O 2.83Å; D231-E233 PolarHBondContact O-N 2.96Å; E233-L235 PolarHBondContact O-N 3.41Å
234	P	75.4	Confident	88.6	Confident	124 Å²	124	61.5 Å²	61.5	81%	0.805	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-54.5	132.2	169.7	-22.6	33	0	0	0	109.9
235	L	76.8	Confident	88.1	Confident	33 Å²	33	64.3 Å²	64.3	17%	0.173	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-64	139.9	177.8	-68.3	171	0	0	0	110	L39 L230 E233 L237 L240	L39-L235 HydrophobicContact CB-CD1 4.4Å; L39-L235 HydrophobicContact CD1-CD1 3.42Å; L39-L235 VanDerWaalsContact CD1-CD1 3.42Å; L39-L235 HydrophobicContact CD2-CD1 4.41Å; L39-L235 HydrophobicContact CG-CD1 4.26Å; L230-L235 HydrophobicContact CD1-CD2 4.29Å; L230-L235 HydrophobicContact CD2-CD2 3.89Å; E233-L235 PolarHBondContact O-N 3.41Å; L235-L237 PolarHBondContact O-N 3.04Å; L235-L240 HydrophobicContact CB-CD2 4.07Å; L235-L240 HydrophobicContact CB-CG 4.19Å; L235-L240 HydrophobicContact CD1-CD2 4.11Å
236	P	83.1	Confident	87.7	Confident	73 Å²	73	61.4 Å²	61.4	47%	0.474	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-52.6	138.7	173.7	-25.5	33.4	0	0	0	111.1	M238 D239 L240	P236-M238 PolarHBondContact O-N 3.11Å; P236-M238 VanDerWaalsContact O-N 3.08Å; P236-D239 WeakPolarHBondContact CD-OD2 3.43Å; P236-D239 WeakPolarHBondContact CG-OD2 3.46Å; P236-D239 PolarHBondContact O-N 3.32Å; P236-L240 PolarHBondContact O-N 3.1Å
237	L	86.1	Confident	87.1	Confident	133 Å²	133	65 Å²	65	70%	0.696	37%	0.365	S	S	*	.	H	α-helix	trans	-52.8	-36.1	177.6	177.2	61.3	0	0	0	111.5	L235 L240 C241	L235-L237 PolarHBondContact O-N 3.04Å; L237-L240 PolarHBondContact O-N 2.95Å; L237-C241 WeakPolarHBondContact O-CB 3.34Å; L237-C241 PolarHBondContact O-N 3.15Å; L237-C241 PolarHBondContact O-SG 2.9Å
238	M	88.4	Confident	86.7	Confident	120 Å²	120	67.4 Å²	67.4	59%	0.591	39%	0.388	S	S	*	.	H	α-helix	trans	-52.7	-56.7	173.4	-72.5	-171.5	67.5	0	0	110.7	P236 L240 C241 R242 Y269	P236-M238 PolarHBondContact O-N 3.11Å; P236-M238 VanDerWaalsContact O-N 3.08Å; M238-L240 VanDerWaalsContact C-N 3.28Å; M238-L240 PolarHBondContact O-N 3.13Å; M238-C241 CarbonylContact O-C 3.57Å; M238-C241 WeakPolarHBondContact O-CA 3.47Å; M238-C241 WeakPolarHBondContact O-CB 3.36Å; M238-C241 PolarHBondContact O-N 3.26Å; M238-R242 PolarHBondContact O-N 3.37Å; M238-Y269 WeakPolarHBondContact CA-OH 3.23Å; M238-Y269 HydrophobicContact CB-CE2 4.43Å; M238-Y269 VanDerWaalsContact CB-OH 3.29Å; M238-Y269 WeakPolarHBondContact CB-OH 3.38Å; M238-Y269 HydrophobicContact CE-CD2 4.1Å; M238-Y269 HydrophobicContact CE-CE2 3.55Å; M238-Y269 PolarHBondContact O-OH 3.34Å
239	D	84.8	Confident	86.3	Confident	50 Å²	50	67.9 Å²	67.9	27%	0.267	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-38	-176.6	-65.1	-37.1	0	0	0	112.3	P236 R242 R243 Y269	P236-D239 WeakPolarHBondContact CD-OD2 3.43Å; P236-D239 WeakPolarHBondContact CG-OD2 3.46Å; P236-D239 PolarHBondContact O-N 3.32Å; D239-R242 PolarHBondContact O-N 2.74Å; D239-R242 IonicContact OD1-CZ 3.62Å; D239-R242 IonicContact OD1-NH1 3.98Å; D239-R242 PolarHBondContact OD1-NH1 3.3Å; D239-R242 IonicContact OD1-NH2 3.67Å; D239-R243 PolarHBondContact O-N 3.13Å; D239-Y269 PolarHBondContact N-OH 2.93Å
240	L	86.3	Confident	85.8	Confident	76 Å²	76	68.1 Å²	68.1	40%	0.398	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-45	173	-62.7	177.6	0	0	0	111.7	L39 L235 P236 L237 M238 R243 A244	L39-L240 HydrophobicContact CD1-CD2 4.12Å; L235-L240 HydrophobicContact CB-CD2 4.07Å; L235-L240 HydrophobicContact CB-CG 4.19Å; L235-L240 HydrophobicContact CD1-CD2 4.11Å; P236-L240 PolarHBondContact O-N 3.1Å; L237-L240 PolarHBondContact O-N 2.95Å; M238-L240 VanDerWaalsContact C-N 3.28Å; M238-L240 PolarHBondContact O-N 3.13Å; L240-R243 PolarHBondContact O-N 2.99Å; L240-A244 WeakPolarHBondContact O-CB 3.3Å; L240-A244 PolarHBondContact O-N 3.47Å
241	C	89.9	Confident	85.3	Confident	65 Å²	65	74.7 Å²	74.7	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-43	175.1	-71	0	0	0	0	112.1	L237 M238 R243 A244 V245	L237-C241 WeakPolarHBondContact O-CB 3.34Å; L237-C241 PolarHBondContact O-N 3.15Å; L237-C241 PolarHBondContact O-SG 2.9Å; M238-C241 CarbonylContact O-C 3.57Å; M238-C241 WeakPolarHBondContact O-CA 3.47Å; M238-C241 WeakPolarHBondContact O-CB 3.36Å; M238-C241 PolarHBondContact O-N 3.26Å; C241-R243 VanDerWaalsContact C-N 3.3Å; C241-R243 PolarHBondContact O-N 3.34Å; C241-A244 PolarHBondContact O-N 3.45Å; C241-V245 WeakPolarHBondContact O-CG2 3.49Å; C241-V245 PolarHBondContact O-N 3.1Å; C241-V245 VanDerWaalsContact O-N 3.08Å
242	R	91	Very high	85.2	Confident	32 Å²	32	79.3 Å²	79.3	12%	0.121	44%	0.439	C	S	.	.	H	α-helix	trans	-55.7	-49	176.2	-170.1	-170.7	-73.4	128.3	-4.7	110	M238 D239 V245 R246 Y269 L270 Y272	M238-R242 PolarHBondContact O-N 3.37Å; D239-R242 PolarHBondContact O-N 2.74Å; D239-R242 IonicContact OD1-CZ 3.62Å; D239-R242 IonicContact OD1-NH1 3.98Å; D239-R242 PolarHBondContact OD1-NH1 3.3Å; D239-R242 IonicContact OD1-NH2 3.67Å; R242-V245 PolarHBondContact O-N 2.91Å; R242-R246 VanDerWaalsContact O-CG 3.31Å; R242-R246 WeakPolarHBondContact O-CG 3.35Å; R242-R246 PolarHBondContact O-N 2.78Å; R242-Y269 HydrophobicContact CB-CE1 3.62Å; R242-Y269 WeakPolarHBondContact CB-OH 3.28Å; R242-Y269 WeakPolarHBondContact CD-O 3.23Å; R242-Y269 HydrophobicContact CG-CD1 4.48Å; R242-Y269 HydrophobicContact CG-CE1 3.95Å; R242-Y269 PolarHBondContact NE-O 3.4Å; R242-L270 HydrophobicContact CG-CD2 4.17Å; R242-Y272 VanDerWaalsContact CD-CZ 3.46Å
243	R	85.1	Confident	85.6	Confident	47 Å²	47	82.1 Å²	82.1	18%	0.177	44%	0.442	C	S	.	.	H	α-helix	trans	-62.4	-48.8	178.2	174.4	167.7	176.2	-103.4	7.7	112	T35 D38 L39 D239 L240 C241 V245 R246 L247	T35-R243 VanDerWaalsContact CG2-NH1 3.25Å; D38-R243 IonicContact OD2-CZ 2.75Å; D38-R243 IonicContact OD2-NE 3.56Å; D38-R243 PolarHBondContact OD2-NE 3.18Å; D38-R243 IonicContact OD2-NH2 3.41Å; D38-R243 PolarHBondContact OD2-NH2 2.78Å; L39-R243 HydrophobicContact CD2-CB 3.68Å; L39-R243 HydrophobicContact CD2-CG 4Å; D239-R243 PolarHBondContact O-N 3.13Å; L240-R243 PolarHBondContact O-N 2.99Å; C241-R243 VanDerWaalsContact C-N 3.3Å; C241-R243 PolarHBondContact O-N 3.34Å; R243-V245 PolarHBondContact O-N 2.8Å; R243-R246 PolarHBondContact O-N 2.85Å; R243-R246 VanDerWaalsContact O-N 3.08Å; R243-L247 HydrophobicContact CG-CD1 3.75Å; R243-L247 HydrophobicContact CG-CG 3.96Å; R243-L247 WeakPolarHBondContact O-CB 3.39Å; R243-L247 WeakPolarHBondContact O-CG 3.41Å; R243-L247 PolarHBondContact O-N 2.65Å
244	A	88.2	Confident	86.1	Confident	60 Å²	60	76.7 Å²	76.7	50%	0.496	42%	0.418	S	S	.	.	H	α-helix	trans	-54.6	-42.6	-178.6	0	0	0	0	0	111.4	L240 C241 A248	L240-A244 WeakPolarHBondContact O-CB 3.3Å; L240-A244 PolarHBondContact O-N 3.47Å; C241-A244 PolarHBondContact O-N 3.45Å; A244-A248 WeakPolarHBondContact O-CB 3.4Å; A244-A248 PolarHBondContact O-N 3.29Å; A244-A248 VanDerWaalsContact O-N 3.07Å
245	V	89.9	Confident	86.7	Confident	61 Å²	61	77.7 Å²	77.7	37%	0.37	42%	0.416	S	S	.	.	H	α-helix	trans	-66.6	-46.9	175.6	176.6	0	0	0	0	111.7	C241 R242 R243 L247 A248 L249 L270	C241-V245 WeakPolarHBondContact O-CG2 3.49Å; C241-V245 PolarHBondContact O-N 3.1Å; C241-V245 VanDerWaalsContact O-N 3.08Å; R242-V245 PolarHBondContact O-N 2.91Å; R243-V245 PolarHBondContact O-N 2.8Å; V245-L247 VanDerWaalsContact C-N 3.33Å; V245-L247 PolarHBondContact O-N 3.15Å; V245-A248 PolarHBondContact O-N 3.02Å; V245-L249 HydrophobicContact CG1-CD1 4.02Å; V245-L249 HydrophobicContact CG1-CG 4.47Å; V245-L249 WeakPolarHBondContact O-CG 3.22Å; V245-L249 PolarHBondContact O-N 3.45Å; V245-L270 HydrophobicContact CB-CD2 3.75Å; V245-L270 HydrophobicContact CG1-CD1 3.87Å; V245-L270 HydrophobicContact CG1-CD2 3.61Å; V245-L270 HydrophobicContact CG1-CG 4.41Å; V245-L270 HydrophobicContact CG2-CD2 4.41Å
246	R	90.3	Very high	87.4	Confident	34 Å²	34	81 Å²	81	13%	0.128	43%	0.431	C	S	.	.	H	α-helix	trans	-62.7	-37.4	179.5	-72.1	172.8	65.9	89.9	-2.4	112.7	R242 R243 L249 G250 L254 L270	R242-R246 VanDerWaalsContact O-CG 3.31Å; R242-R246 WeakPolarHBondContact O-CG 3.35Å; R242-R246 PolarHBondContact O-N 2.78Å; R243-R246 PolarHBondContact O-N 2.85Å; R243-R246 VanDerWaalsContact O-N 3.08Å; R246-L249 PolarHBondContact O-N 3.41Å; R246-G250 PolarHBondContact O-N 3.31Å; R246-L254 HydrophobicContact CB-CD2 4.03Å; R246-L254 HydrophobicContact CG-CD2 3.91Å; R246-L270 PolarHBondContact NH1-O 3.13Å
247	L	85.5	Confident	87.9	Confident	90 Å²	90	77.5 Å²	77.5	47%	0.471	41%	0.408	S	S	.	.	H	α-helix	trans	-66.3	-43.6	173.8	-74.4	177.4	0	0	0	111.8	R243 V245 L249 G250	R243-L247 HydrophobicContact CG-CD1 3.75Å; R243-L247 HydrophobicContact CG-CG 3.96Å; R243-L247 WeakPolarHBondContact O-CB 3.39Å; R243-L247 WeakPolarHBondContact O-CG 3.41Å; R243-L247 PolarHBondContact O-N 2.65Å; V245-L247 VanDerWaalsContact C-N 3.33Å; V245-L247 PolarHBondContact O-N 3.15Å; L247-L249 VanDerWaalsContact C-N 3.29Å; L247-L249 PolarHBondContact O-N 3.17Å; L247-G250 PolarHBondContact O-N 3.01Å
248	A	88.8	Confident	88.2	Confident	76 Å²	76	74.7 Å²	74.7	63%	0.628	40%	0.398	S	S	*	.	H	α-helix	trans	-64.3	-35	176.8	0	0	0	0	0	112.4	A244 V245 R253	A244-A248 WeakPolarHBondContact O-CB 3.4Å; A244-A248 PolarHBondContact O-N 3.29Å; A244-A248 VanDerWaalsContact O-N 3.07Å; V245-A248 PolarHBondContact O-N 3.02Å; A248-R253 PolarHBondContact O-NH2 2.67Å; A248-R253 VanDerWaalsContact O-NH2 3.12Å
249	L	88.4	Confident	88.4	Confident	28 Å²	28	74.2 Å²	74.2	15%	0.147	40%	0.402	C	S	.	.	H	α-helix	trans	-69.5	-40.1	171.8	-72.4	170.2	0	0	0	111.5	V245 R246 L247 R253 I257 L260	V245-L249 HydrophobicContact CG1-CD1 4.02Å; V245-L249 HydrophobicContact CG1-CG 4.47Å; V245-L249 WeakPolarHBondContact O-CG 3.22Å; V245-L249 PolarHBondContact O-N 3.45Å; R246-L249 PolarHBondContact O-N 3.41Å; L247-L249 VanDerWaalsContact C-N 3.29Å; L247-L249 PolarHBondContact O-N 3.17Å; L249-R253 PolarHBondContact O-NE 3.43Å; L249-R253 PolarHBondContact O-NH2 3.22Å; L249-I257 HydrophobicContact CD1-CD1 4.22Å; L249-I257 HydrophobicContact CD1-CG1 3.86Å; L249-L260 HydrophobicContact CD1-CD1 4.19Å; L249-L260 HydrophobicContact CD2-CD1 4.17Å
250	G	85.7	Confident	88.8	Confident	28 Å²	28	74 Å²	74	29%	0.289	40%	0.4	S	S	.	.			trans	78.2	152.2	-172.6	0	0	0	0	0	112	R246 L247 E252 R253	R246-G250 PolarHBondContact O-N 3.31Å; L247-G250 PolarHBondContact O-N 3.01Å; G250-E252 VanDerWaalsContact C-N 3.29Å; G250-E252 PolarHBondContact O-N 3.19Å; G250-R253 PolarHBondContact O-N 3.17Å; G250-R253 VanDerWaalsContact O-N 3.16Å
251	K	82.1	Confident	89.2	Confident	155 Å²	155	76.7 Å²	76.7	67%	0.674	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-57.9	-38.2	-171.3	-70.8	-173.1	175.7	-173.6	0	113.6	R253 L254	K251-R253 VanDerWaalsContact C-N 3.27Å; K251-R253 PolarHBondContact O-N 2.77Å; K251-L254 PolarHBondContact O-N 2.89Å
252	E	86.2	Confident	89.4	Confident	181 Å²	181	76.5 Å²	76.5	85%	0.846	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-56.7	-37.8	179.7	-59.3	-86.9	148.1	0	0	112.6	G250	G250-E252 VanDerWaalsContact C-N 3.29Å; G250-E252 PolarHBondContact O-N 3.19Å
253	R	88.2	Confident	89.6	Confident	119 Å²	119	78.7 Å²	78.7	45%	0.449	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-98.5	5.4	-172.5	-62.9	-174.2	-63.9	-177.7	0.4	113.8	A248 L249 G250 K251 N255 E256	A248-R253 PolarHBondContact O-NH2 2.67Å; A248-R253 VanDerWaalsContact O-NH2 3.12Å; L249-R253 PolarHBondContact O-NE 3.43Å; L249-R253 PolarHBondContact O-NH2 3.22Å; G250-R253 PolarHBondContact O-N 3.17Å; G250-R253 VanDerWaalsContact O-N 3.16Å; K251-R253 VanDerWaalsContact C-N 3.27Å; K251-R253 PolarHBondContact O-N 2.77Å; R253-N255 PolarHBondContact O-N 3.19Å; R253-E256 WeakPolarHBondContact O-CB 3.31Å; R253-E256 PolarHBondContact O-N 2.71Å
254	L	87.4	Confident	90	Very high	26 Å²	26	80 Å²	80	14%	0.136	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-62.5	-32	177.7	-67.4	176	0	0	0	111.8	R246 K251 E256 I257	R246-L254 HydrophobicContact CB-CD2 4.03Å; R246-L254 HydrophobicContact CG-CD2 3.91Å; K251-L254 PolarHBondContact O-N 2.89Å; L254-E256 PolarHBondContact O-N 2.88Å; L254-I257 HydrophobicContact CB-CD1 4.39Å; L254-I257 HydrophobicContact CD2-CD1 3.9Å; L254-I257 WeakPolarHBondContact O-CB 3.19Å; L254-I257 WeakPolarHBondContact O-CD1 3.36Å; L254-I257 VanDerWaalsContact O-CG1 3.23Å; L254-I257 WeakPolarHBondContact O-CG1 3.43Å; L254-I257 PolarHBondContact O-N 2.99Å
255	N	89	Confident	90.3	Very high	145 Å²	145	81.3 Å²	81.3	78%	0.775	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-70.7	-13.8	175.9	-63	-22.8	0	0	0	113	R253 P258	R253-N255 PolarHBondContact O-N 3.19Å; N255-P258 WeakPolarHBondContact O-CD 3.45Å
256	E	91.6	Very high	90.4	Very high	101 Å²	101	82.3 Å²	82.3	47%	0.472	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-90.7	-4.9	176.9	-57.9	177.3	-170.5	0	0	112.4	R253 L254 P258 T259	R253-E256 WeakPolarHBondContact O-CB 3.31Å; R253-E256 PolarHBondContact O-N 2.71Å; L254-E256 PolarHBondContact O-N 2.88Å; E256-P258 VanDerWaalsContact O-N 3.11Å; E256-T259 PolarHBondContact O-N 3.21Å; E256-T259 PolarHBondContact O-OG1 2.84Å
257	I	92.1	Very high	90.6	Very high	0 Å²	0	83 Å²	83	0%	0	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-49.3	-39.2	176.9	-69.5	167.2	0	0	0	113.1	L249 L254 T259 L260 K267 L270 L271	L249-I257 HydrophobicContact CD1-CD1 4.22Å; L249-I257 HydrophobicContact CD1-CG1 3.86Å; L254-I257 HydrophobicContact CB-CD1 4.39Å; L254-I257 HydrophobicContact CD2-CD1 3.9Å; L254-I257 WeakPolarHBondContact O-CB 3.19Å; L254-I257 WeakPolarHBondContact O-CD1 3.36Å; L254-I257 VanDerWaalsContact O-CG1 3.23Å; L254-I257 WeakPolarHBondContact O-CG1 3.43Å; L254-I257 PolarHBondContact O-N 2.99Å; I257-T259 PolarHBondContact O-N 2.85Å; I257-L260 HydrophobicContact CB-CD1 4.48Å; I257-L260 HydrophobicContact CG1-CD1 4.32Å; I257-L260 WeakPolarHBondContact O-CB 3.42Å; I257-L260 PolarHBondContact O-N 2.96Å; I257-K267 HydrophobicContact CG2-CB 4.13Å; I257-K267 HydrophobicContact CG2-CG 4.23Å; I257-L270 HydrophobicContact CD1-CB 4.06Å; I257-L270 HydrophobicContact CG2-CB 4.21Å; I257-L270 HydrophobicContact CG2-CD1 4.41Å; I257-L271 HydrophobicContact CB-CD1 4.42Å; I257-L271 HydrophobicContact CB-CD2 4.13Å; I257-L271 HydrophobicContact CB-CG 4.22Å; I257-L271 HydrophobicContact CD1-CD2 3.78Å; I257-L271 HydrophobicContact CD1-CG 4.2Å; I257-L271 HydrophobicContact CG2-CD1 4.09Å; I257-L271 HydrophobicContact CG2-CD2 4.4Å; I257-L271 HydrophobicContact CG2-CG 3.94Å
258	P	93.3	Very high	90.9	Very high	74 Å²	74	80.7 Å²	80.7	48%	0.481	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-59.4	-26.6	175.6	-26.4	36.9	0	0	0	114.9	N255 E256 K267 L271	N255-P258 WeakPolarHBondContact O-CD 3.45Å; E256-P258 VanDerWaalsContact O-N 3.11Å; P258-K267 WeakPolarHBondContact O-CE 3.41Å; P258-K267 PolarHBondContact O-NZ 3.28Å; P258-L271 HydrophobicContact CG-CD1 4.38Å
259	T	93.3	Very high	91	Very high	110 Å²	110	79.2 Å²	79.2	68%	0.675	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-85	-15.4	-178.5	74.7	0	0	0	0	113	E256 I257	E256-T259 PolarHBondContact O-N 3.21Å; E256-T259 PolarHBondContact O-OG1 2.84Å; I257-T259 PolarHBondContact O-N 2.85Å
260	L	92.6	Very high	91.2	Very high	45 Å²	45	78.3 Å²	78.3	24%	0.236	43%	0.433	C	S	.	.	S	Bend	trans	-62.9	147.8	-178.9	-62.8	176.9	0	0	0	111.6	L249 I257 L262 K267	L249-L260 HydrophobicContact CD1-CD1 4.19Å; L249-L260 HydrophobicContact CD2-CD1 4.17Å; I257-L260 HydrophobicContact CB-CD1 4.48Å; I257-L260 HydrophobicContact CG1-CD1 4.32Å; I257-L260 WeakPolarHBondContact O-CB 3.42Å; I257-L260 PolarHBondContact O-N 2.96Å; L260-L262 HydrophobicContact CB-CD1 4.04Å; L260-L262 HydrophobicContact CB-CG 4Å; L260-L262 HydrophobicContact CD1-CD1 3.92Å; L260-L262 PolarHBondContact O-N 2.94Å; L260-K267 WeakPolarHBondContact O-CE 3.46Å; L260-K267 PolarHBondContact O-NZ 2.96Å
261	P	94.6	Very high	91.4	Very high	133 Å²	133	79 Å²	79	86%	0.864	43%	0.431	S	S	*	.	S	Bend	trans	-77.2	52	176.3	34.2	-36.8	0	0	0	111.5
262	L	94	Very high	91.5	Very high	62 Å²	62	74.8 Å²	74.8	33%	0.325	41%	0.411	S	S	.	.	S	Bend	trans	-111.9	148.7	-179.6	-62.9	176.3	0	0	0	111	L260 L266 K267 L270	L260-L262 HydrophobicContact CB-CD1 4.04Å; L260-L262 HydrophobicContact CB-CG 4Å; L260-L262 HydrophobicContact CD1-CD1 3.92Å; L260-L262 PolarHBondContact O-N 2.94Å; L262-L266 HydrophobicContact CB-CB 4.45Å; L262-K267 HydrophobicContact CB-CG 4.12Å; L262-K267 WeakPolarHBondContact O-CE 3.42Å; L262-L270 HydrophobicContact CD1-CD1 3.86Å
263	P	96.4	Very high	91.4	Very high	77 Å²	77	75 Å²	75	50%	0.5	41%	0.412	S	S	.	.			trans	-51.7	146.6	167.7	-26.1	33.5	0	0	0	112.6	S265 L266 K267	P263-S265 VanDerWaalsContact C-N 3.26Å; P263-S265 PolarHBondContact O-N 2.91Å; P263-L266 HydrophobicContact CG-CD1 4.38Å; P263-L266 PolarHBondContact O-N 2.68Å; P263-K267 PolarHBondContact O-N 2.96Å; P263-K267 VanDerWaalsContact O-N 3.1Å
264	A	93.2	Very high	91.6	Very high	74 Å²	74	72.8 Å²	72.8	61%	0.612	41%	0.41	S	S	*	.	H	α-helix	trans	-55.6	-40.8	-178.7	0	0	0	0	0	112.6	L266 K267 S268	A264-L266 VanDerWaalsContact C-N 3.32Å; A264-L266 PolarHBondContact O-N 2.98Å; A264-K267 WeakPolarHBondContact O-CB 3.11Å; A264-K267 PolarHBondContact O-N 3.3Å; A264-K267 VanDerWaalsContact O-N 3.13Å; A264-S268 PolarHBondContact O-N 2.83Å; A264-S268 PolarHBondContact O-OG 3.19Å
265	S	93.3	Very high	91.8	Very high	88 Å²	88	75.3 Å²	75.3	62%	0.615	42%	0.424	S	S	*	.	H	α-helix	trans	-59.3	-39.1	176.3	53	0	0	0	0	113	P263 Y269	P263-S265 VanDerWaalsContact C-N 3.26Å; P263-S265 PolarHBondContact O-N 2.91Å; S265-Y269 WeakPolarHBondContact O-CB 3.44Å; S265-Y269 PolarHBondContact O-N 3.1Å
266	L	92.6	Very high	91.9	Very high	82 Å²	82	71.4 Å²	71.4	43%	0.429	41%	0.405	S	S	.	.	H	α-helix	trans	-72.7	-33.1	176.2	-69.6	-174.3	0	0	0	112.2	L262 P263 A264 Y269 L270	L262-L266 HydrophobicContact CB-CB 4.45Å; P263-L266 HydrophobicContact CG-CD1 4.38Å; P263-L266 PolarHBondContact O-N 2.68Å; A264-L266 VanDerWaalsContact C-N 3.32Å; A264-L266 PolarHBondContact O-N 2.98Å; L266-Y269 WeakPolarHBondContact O-CB 3.13Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 WeakPolarHBondContact O-CG 3.49Å; L266-L270 PolarHBondContact O-N 3.24Å
267	K	93.9	Very high	92	Very high	48 Å²	48	69.6 Å²	69.6	21%	0.209	40%	0.401	C	S	.	.	H	α-helix	trans	-64.9	-51.1	174.1	-68	174.4	172.3	177.7	0	111.1	I257 P258 L260 L262 P263 A264 Y269 L270 L271	I257-K267 HydrophobicContact CG2-CB 4.13Å; I257-K267 HydrophobicContact CG2-CG 4.23Å; P258-K267 WeakPolarHBondContact O-CE 3.41Å; P258-K267 PolarHBondContact O-NZ 3.28Å; L260-K267 WeakPolarHBondContact O-CE 3.46Å; L260-K267 PolarHBondContact O-NZ 2.96Å; L262-K267 HydrophobicContact CB-CG 4.12Å; L262-K267 WeakPolarHBondContact O-CE 3.42Å; P263-K267 PolarHBondContact O-N 2.96Å; P263-K267 VanDerWaalsContact O-N 3.1Å; A264-K267 WeakPolarHBondContact O-CB 3.11Å; A264-K267 PolarHBondContact O-N 3.3Å; A264-K267 VanDerWaalsContact O-N 3.13Å; K267-Y269 VanDerWaalsContact C-N 3.3Å; K267-Y269 PolarHBondContact O-N 3.02Å; K267-L270 PolarHBondContact O-N 3.46Å; K267-L271 WeakPolarHBondContact O-CB 3.46Å; K267-L271 WeakPolarHBondContact O-CG 3.48Å; K267-L271 PolarHBondContact O-N 2.89Å
268	S	91.4	Very high	91.9	Very high	42 Å²	42	74 Å²	74	29%	0.294	43%	0.426	S	S	.	.	H	α-helix	trans	-57.7	-46.4	175.9	-60.2	0	0	0	0	110.8	A264 L270 L271 Y272 Q273	A264-S268 PolarHBondContact O-N 2.83Å; A264-S268 PolarHBondContact O-OG 3.19Å; S268-L270 PolarHBondContact O-N 2.84Å; S268-L271 CarbonylContact O-C 3.46Å; S268-L271 PolarHBondContact O-N 2.79Å; S268-Y272 PolarHBondContact O-N 2.9Å; S268-Q273 CarbonylContact C-O 3.48Å; S268-Q273 VanDerWaalsContact CB-O 3.3Å; S268-Q273 WeakPolarHBondContact CB-O 3.4Å; S268-Q273 PolarHBondContact O-N 3.27Å
269	Y	92.1	Very high	91.9	Very high	45 Å²	45	74 Å²	74	18%	0.176	42%	0.422	C	S	.	.	H	α-helix	trans	-54.2	-46.2	174.3	176.2	-102	0	0	0	113.7	M238 D239 R242 S265 L266 K267 L271 Y272	M238-Y269 WeakPolarHBondContact CA-OH 3.23Å; M238-Y269 HydrophobicContact CB-CE2 4.43Å; M238-Y269 VanDerWaalsContact CB-OH 3.29Å; M238-Y269 WeakPolarHBondContact CB-OH 3.38Å; M238-Y269 HydrophobicContact CE-CD2 4.1Å; M238-Y269 HydrophobicContact CE-CE2 3.55Å; M238-Y269 PolarHBondContact O-OH 3.34Å; D239-Y269 PolarHBondContact N-OH 2.93Å; R242-Y269 HydrophobicContact CB-CE1 3.62Å; R242-Y269 WeakPolarHBondContact CB-OH 3.28Å; R242-Y269 WeakPolarHBondContact CD-O 3.23Å; R242-Y269 HydrophobicContact CG-CD1 4.48Å; R242-Y269 HydrophobicContact CG-CE1 3.95Å; R242-Y269 PolarHBondContact NE-O 3.4Å; S265-Y269 WeakPolarHBondContact O-CB 3.44Å; S265-Y269 PolarHBondContact O-N 3.1Å; L266-Y269 WeakPolarHBondContact O-CB 3.13Å; K267-Y269 VanDerWaalsContact C-N 3.3Å; K267-Y269 PolarHBondContact O-N 3.02Å; Y269-L271 VanDerWaalsContact C-N 3.29Å; Y269-L271 PolarHBondContact O-N 3.27Å; Y269-Y272 PolarHBondContact O-N 2.68Å
270	L	91.6	Very high	91.8	Very high	9 Å²	9	71.4 Å²	71.4	5%	0.047	40%	0.404	C	S	.	.	H	α-helix	trans	-70.3	-24.9	178.5	-70.2	171.5	0	0	0	113.1	R242 V245 R246 I257 L262 L266 K267 S268	R242-L270 HydrophobicContact CG-CD2 4.17Å; V245-L270 HydrophobicContact CB-CD2 3.75Å; V245-L270 HydrophobicContact CG1-CD1 3.87Å; V245-L270 HydrophobicContact CG1-CD2 3.61Å; V245-L270 HydrophobicContact CG1-CG 4.41Å; V245-L270 HydrophobicContact CG2-CD2 4.41Å; R246-L270 PolarHBondContact NH1-O 3.13Å; I257-L270 HydrophobicContact CD1-CB 4.06Å; I257-L270 HydrophobicContact CG2-CB 4.21Å; I257-L270 HydrophobicContact CG2-CD1 4.41Å; L262-L270 HydrophobicContact CD1-CD1 3.86Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 WeakPolarHBondContact O-CG 3.49Å; L266-L270 PolarHBondContact O-N 3.24Å; K267-L270 PolarHBondContact O-N 3.46Å; S268-L270 PolarHBondContact O-N 2.84Å
271	L	89.8	Confident	91.7	Very high	44 Å²	44	73.5 Å²	73.5	23%	0.23	42%	0.417	C	S	.	.	H	α-helix	trans	-92.6	-2.8	-179.9	-71	169.6	0	0	0	114.1	I257 P258 K267 S268 Y269 Q273	I257-L271 HydrophobicContact CB-CD1 4.42Å; I257-L271 HydrophobicContact CB-CD2 4.13Å; I257-L271 HydrophobicContact CB-CG 4.22Å; I257-L271 HydrophobicContact CD1-CD2 3.78Å; I257-L271 HydrophobicContact CD1-CG 4.2Å; I257-L271 HydrophobicContact CG2-CD1 4.09Å; I257-L271 HydrophobicContact CG2-CD2 4.4Å; I257-L271 HydrophobicContact CG2-CG 3.94Å; P258-L271 HydrophobicContact CG-CD1 4.38Å; K267-L271 WeakPolarHBondContact O-CB 3.46Å; K267-L271 WeakPolarHBondContact O-CG 3.48Å; K267-L271 PolarHBondContact O-N 2.89Å; S268-L271 CarbonylContact O-C 3.46Å; S268-L271 PolarHBondContact O-N 2.79Å; Y269-L271 VanDerWaalsContact C-N 3.29Å; Y269-L271 PolarHBondContact O-N 3.27Å; L271-Q273 VanDerWaalsContact C-N 3.31Å; L271-Q273 HydrophobicContact CB-CB 4.46Å; L271-Q273 HydrophobicContact CB-CG 3.9Å
272	Y	86.1	Confident	91.4	Very high	66 Å²	66	68.5 Å²	68.5	26%	0.259	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	40.7	-169.3	-59.6	-88.4	0	0	0	113.1	D42 P44 R242 S268 Y269	D42-Y272 WeakPolarHBondContact O-CE2 3.45Å; D42-Y272 PolarHBondContact O-OH 2.77Å; P44-Y272 VanDerWaalsContact CD-CD1 3.5Å; P44-Y272 VanDerWaalsContact CG-CB 3.48Å; P44-Y272 HydrophobicContact CG-CD1 3.82Å; P44-Y272 HydrophobicContact CG-CD2 3.98Å; P44-Y272 HydrophobicContact CG-CE1 4.47Å; P44-Y272 HydrophobicContact CG-CG 3.53Å; R242-Y272 VanDerWaalsContact CD-CZ 3.46Å; S268-Y272 PolarHBondContact O-N 2.9Å; Y269-Y272 PolarHBondContact O-N 2.68Å
273	Q	83.1	Confident	91.2	Very high	185 Å²	185	69.1 Å²	69.1	86%	0.864	39%	0.385	S	S	*	.			trans	-113	0	177.2	-64.6	176.1	-9.6	0	0	111.4	S268 L271	S268-Q273 CarbonylContact C-O 3.48Å; S268-Q273 VanDerWaalsContact CB-O 3.3Å; S268-Q273 WeakPolarHBondContact CB-O 3.4Å; S268-Q273 PolarHBondContact O-N 3.27Å; L271-Q273 VanDerWaalsContact C-N 3.31Å; L271-Q273 HydrophobicContact CB-CB 4.46Å; L271-Q273 HydrophobicContact CB-CG 3.9Å

Retrieved 273 of 273 residues in 408.2 ms (Link to these results)

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