A0A5K4FBA3_SCHMA Loading...

Egg protein

AlphaFold DB , UniProt , Accession A0A5K4FBA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.5	Very low	46.3	Very low	246 Å²	246	156.6 Å²	156.6	100%	1.212	72%	0.724	S	S	*	*				0	32	0	-119	174.3	164.4	0	0	113.3
2	M	50.5	Low	47	Very low	164 Å²	164	152.3 Å²	152.3	81%	0.808	71%	0.709	S	S	*	*			trans	-105.3	-15.2	-174.3	-105.3	177.4	-140.5	0	0	115	N4	M2-N4 PolarHBondContact O-N 3.47Å
3	W	41.3	Very low	47.1	Very low	232 Å²	232	148.7 Å²	148.7	88%	0.879	70%	0.697	S	S	*	*	H	α-helix	trans	-74.6	-24	-173.2	-92.3	50.6	0	0	0	114.7
4	N	44.7	Very low	47.4	Very low	123 Å²	123	144.6 Å²	144.6	66%	0.658	69%	0.687	S	S	*	*	H	α-helix	trans	-74.5	-25	179.8	-106.7	0.5	0	0	0	114	M2	M2-N4 PolarHBondContact O-N 3.47Å
5	K	44.6	Very low	47.1	Very low	166 Å²	166	140.5 Å²	140.5	72%	0.722	68%	0.678	S	S	*	*	H	α-helix	trans	-73.3	-32.2	-178.9	-82	-169.5	172.7	-172.6	0	113.1	I9	K5-I9 WeakPolarHBondContact O-CG1 3.45Å; K5-I9 PolarHBondContact O-N 3.25Å
6	L	48.6	Very low	47.4	Very low	119 Å²	119	135 Å²	135	62%	0.623	66%	0.663	S	S	*	*	H	α-helix	trans	-70.2	-33.9	-179.8	-107.2	90.7	0	0	0	112.9	I9 K10	L6-I9 PolarHBondContact O-N 2.94Å; L6-K10 PolarHBondContact O-N 3.06Å
7	I	53.3	Low	47.8	Very low	103 Å²	103	132.9 Å²	132.9	53%	0.528	65%	0.654	S	S	.	*	H	α-helix	trans	-67	-42.6	179.3	-67.9	168.3	0	0	0	110.2	I9 K10 M11	I7-I9 PolarHBondContact O-N 3.32Å; I7-K10 PolarHBondContact O-N 3.49Å; I7-M11 WeakPolarHBondContact O-CB 3.4Å; I7-M11 PolarHBondContact O-N 3.49Å
8	W	38.1	Very low	47.9	Very low	179 Å²	179	131.7 Å²	131.7	68%	0.678	65%	0.651	S	S	*	*	H	α-helix	trans	-63.6	-41.5	176.6	-84.5	76.2	0	0	0	112.6	M11 I12	W8-M11 PolarHBondContact O-N 2.95Å; W8-I12 VanDerWaalsContact O-CG1 3.26Å; W8-I12 WeakPolarHBondContact O-CG1 3.33Å; W8-I12 PolarHBondContact O-N 3.47Å
9	I	53.3	Low	48	Very low	106 Å²	106	132.3 Å²	132.3	54%	0.544	65%	0.649	S	S	.	*	H	α-helix	trans	-65.4	-41.7	177.8	-68.3	163.5	0	0	0	111	K5 L6 I7 I12 L13	K5-I9 WeakPolarHBondContact O-CG1 3.45Å; K5-I9 PolarHBondContact O-N 3.25Å; L6-I9 PolarHBondContact O-N 2.94Å; I7-I9 PolarHBondContact O-N 3.32Å; I9-I12 PolarHBondContact O-N 2.98Å; I9-L13 PolarHBondContact O-N 3.35Å
10	K	44.4	Very low	48.2	Very low	153 Å²	153	133 Å²	133	67%	0.665	65%	0.651	S	S	*	*	H	α-helix	trans	-63.5	-41.6	175.1	-83.9	-170.9	170.9	-172.8	0	112.1	L6 I7 L13 V14	L6-K10 PolarHBondContact O-N 3.06Å; I7-K10 PolarHBondContact O-N 3.49Å; K10-L13 PolarHBondContact O-N 3.46Å; K10-V14 WeakPolarHBondContact O-CG2 3.44Å; K10-V14 PolarHBondContact O-N 3.3Å
11	M	43	Very low	48.1	Very low	132 Å²	132	130.2 Å²	130.2	65%	0.65	64%	0.642	S	S	*	*	H	α-helix	trans	-67.8	-38.4	-179.3	-161.7	173.6	143	0	0	112	I7 W8 V14 C15	I7-M11 WeakPolarHBondContact O-CB 3.4Å; I7-M11 PolarHBondContact O-N 3.49Å; W8-M11 PolarHBondContact O-N 2.95Å; M11-V14 PolarHBondContact O-N 3.45Å; M11-C15 PolarHBondContact O-N 3Å; M11-C15 VanDerWaalsContact O-N 3.1Å
12	I	55.2	Low	48.1	Very low	105 Å²	105	125.1 Å²	125.1	54%	0.538	61%	0.613	S	S	.	*	H	α-helix	trans	-66.1	-40.2	173.6	-66.7	165	0	0	0	111	W8 I9 C15 A16	W8-I12 VanDerWaalsContact O-CG1 3.26Å; W8-I12 WeakPolarHBondContact O-CG1 3.33Å; W8-I12 PolarHBondContact O-N 3.47Å; I9-I12 PolarHBondContact O-N 2.98Å; I12-C15 PolarHBondContact O-N 3.44Å; I12-A16 WeakPolarHBondContact O-CB 3.26Å; I12-A16 PolarHBondContact O-N 3.1Å
13	L	47.4	Very low	47.6	Very low	105 Å²	105	122.5 Å²	122.5	55%	0.55	60%	0.6	S	S	.	*	H	α-helix	trans	-66.2	-40	178.1	-128.2	87.8	0	0	0	112.1	I9 K10 A16 I17	I9-L13 PolarHBondContact O-N 3.35Å; K10-L13 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 3.37Å; L13-I17 HydrophobicContact CD2-CD1 4.48Å; L13-I17 WeakPolarHBondContact O-CD1 3.43Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 3.5Å
14	V	52.1	Low	47.6	Very low	92 Å²	92	120.2 Å²	120.2	56%	0.558	59%	0.593	S	S	*	*	H	α-helix	trans	-64.8	-44.1	177.2	174.3	0	0	0	0	110.7	K10 M11 A16 I17 D18	K10-V14 WeakPolarHBondContact O-CG2 3.44Å; K10-V14 PolarHBondContact O-N 3.3Å; M11-V14 PolarHBondContact O-N 3.45Å; V14-A16 VanDerWaalsContact C-N 3.35Å; V14-A16 PolarHBondContact O-N 2.96Å; V14-I17 PolarHBondContact O-N 3.02Å; V14-D18 PolarHBondContact O-N 3.42Å
15	C	42.6	Very low	47.4	Very low	82 Å²	82	119.9 Å²	119.9	55%	0.554	59%	0.587	S	S	*	*	H	α-helix	trans	-63.9	-36.8	174.5	-82.7	0	0	0	0	113.2	M11 I12 D18 F19	M11-C15 PolarHBondContact O-N 3Å; M11-C15 VanDerWaalsContact O-N 3.1Å; I12-C15 PolarHBondContact O-N 3.44Å; C15-D18 PolarHBondContact O-N 2.96Å; C15-F19 WeakPolarHBondContact O-CB 3.22Å; C15-F19 PolarHBondContact O-N 3.04Å
16	A	52	Low	47.3	Very low	53 Å²	53	116 Å²	116	44%	0.438	58%	0.577	S	S	.	*	H	α-helix	trans	-70.4	-37.8	179.6	0	0	0	0	0	112.3	I12 L13 V14 F19 Q20	I12-A16 WeakPolarHBondContact O-CB 3.26Å; I12-A16 PolarHBondContact O-N 3.1Å; L13-A16 PolarHBondContact O-N 3.37Å; V14-A16 VanDerWaalsContact C-N 3.35Å; V14-A16 PolarHBondContact O-N 2.96Å; A16-F19 PolarHBondContact O-N 3.33Å; A16-Q20 PolarHBondContact O-N 3.46Å
17	I	54.5	Low	46.7	Very low	100 Å²	100	118.3 Å²	118.3	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-65.5	-46.1	174.9	-66	163.2	0	0	0	109.3	L13 V14 F19 Q20 T21	L13-I17 HydrophobicContact CD2-CD1 4.48Å; L13-I17 WeakPolarHBondContact O-CD1 3.43Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 3.5Å; V14-I17 PolarHBondContact O-N 3.02Å; I17-F19 VanDerWaalsContact C-N 3.31Å; I17-F19 PolarHBondContact O-N 2.78Å; I17-Q20 PolarHBondContact O-N 3.36Å; I17-T21 PolarHBondContact O-N 2.9Å; I17-T21 PolarHBondContact O-OG1 2.83Å
18	D	50.1	Low	46.1	Very low	111 Å²	111	116.9 Å²	116.9	59%	0.594	58%	0.581	S	S	*	*	H	α-helix	trans	-61.4	-39.9	177.8	-118.7	-17.2	0	0	0	111.8	V14 C15 T21 F22	V14-D18 PolarHBondContact O-N 3.42Å; C15-D18 PolarHBondContact O-N 2.96Å; D18-T21 PolarHBondContact O-N 2.97Å; D18-F22 VanDerWaalsContact O-CB 3.22Å; D18-F22 WeakPolarHBondContact O-CB 3.16Å; D18-F22 PolarHBondContact O-N 2.84Å
19	F	49.7	Very low	46.3	Very low	143 Å²	143	114 Å²	114	63%	0.627	58%	0.579	S	S	*	*	H	α-helix	trans	-68.4	-37.5	178.6	-146.6	-89.3	0	0	0	112.4	C15 A16 I17 M23	C15-F19 WeakPolarHBondContact O-CB 3.22Å; C15-F19 PolarHBondContact O-N 3.04Å; A16-F19 PolarHBondContact O-N 3.33Å; I17-F19 VanDerWaalsContact C-N 3.31Å; I17-F19 PolarHBondContact O-N 2.78Å; F19-M23 HydrophobicContact CD1-CG 3.83Å; F19-M23 HydrophobicContact CE1-CG 3.91Å; F19-M23 HydrophobicContact CE1-SD 4.19Å; F19-M23 VanDerWaalsContact O-CB 3.31Å; F19-M23 WeakPolarHBondContact O-CB 3.31Å; F19-M23 WeakPolarHBondContact O-CG 3.29Å; F19-M23 PolarHBondContact O-N 2.83Å
20	Q	50.4	Low	45.7	Very low	145 Å²	145	112 Å²	112	68%	0.678	58%	0.575	S	S	*	*	H	α-helix	trans	-69.4	-39.4	174.1	-76.3	-154.4	-30	0	0	112.1	A16 I17 M23 Y24	A16-Q20 PolarHBondContact O-N 3.46Å; I17-Q20 PolarHBondContact O-N 3.36Å; Q20-M23 PolarHBondContact O-N 2.87Å; Q20-Y24 WeakPolarHBondContact O-CB 3.22Å; Q20-Y24 PolarHBondContact O-N 2.97Å
21	T	47.8	Very low	45.7	Very low	75 Å²	75	109.4 Å²	109.4	46%	0.46	57%	0.572	S	S	.	*	H	α-helix	trans	-66.8	-39.2	175.4	-50.2	0	0	0	0	111	I17 D18 Y24 Q25	I17-T21 PolarHBondContact O-N 2.9Å; I17-T21 PolarHBondContact O-OG1 2.83Å; D18-T21 PolarHBondContact O-N 2.97Å; T21-Y24 PolarHBondContact O-N 3.23Å; T21-Q25 WeakPolarHBondContact O-CB 3.14Å; T21-Q25 WeakPolarHBondContact O-CG 3.44Å; T21-Q25 PolarHBondContact O-N 3.41Å
22	F	47.5	Very low	45.9	Very low	139 Å²	139	107.6 Å²	107.6	61%	0.61	57%	0.568	S	S	*	*	H	α-helix	trans	-64.3	-45.3	173.9	-161.2	-92.6	0	0	0	111.5	D18 Y24 Q25 V26	D18-F22 VanDerWaalsContact O-CB 3.22Å; D18-F22 WeakPolarHBondContact O-CB 3.16Å; D18-F22 PolarHBondContact O-N 2.84Å; F22-Y24 VanDerWaalsContact C-N 3.31Å; F22-Y24 PolarHBondContact O-N 3.23Å; F22-Q25 PolarHBondContact O-N 3.3Å; F22-V26 HydrophobicContact CD1-CG2 3.97Å; F22-V26 HydrophobicContact CE1-CG2 3.84Å; F22-V26 VanDerWaalsContact O-CG2 3.29Å; F22-V26 WeakPolarHBondContact O-CG2 3.26Å; F22-V26 PolarHBondContact O-N 3.27Å
23	M	40.3	Very low	45.8	Very low	110 Å²	110	109.4 Å²	109.4	54%	0.542	57%	0.574	S	S	.	*	H	α-helix	trans	-65.6	-32.7	175.3	-71.5	-70.1	-73.1	0	0	112.5	F19 Q20 K27	F19-M23 HydrophobicContact CD1-CG 3.83Å; F19-M23 HydrophobicContact CE1-CG 3.91Å; F19-M23 HydrophobicContact CE1-SD 4.19Å; F19-M23 VanDerWaalsContact O-CB 3.31Å; F19-M23 WeakPolarHBondContact O-CB 3.31Å; F19-M23 WeakPolarHBondContact O-CG 3.29Å; F19-M23 PolarHBondContact O-N 2.83Å; Q20-M23 PolarHBondContact O-N 2.87Å; M23-K27 VanDerWaalsContact O-CB 3.26Å; M23-K27 WeakPolarHBondContact O-CB 3.39Å; M23-K27 PolarHBondContact O-N 3.43Å
24	Y	41.2	Very low	46.4	Very low	183 Å²	183	106.9 Å²	106.9	72%	0.718	57%	0.568	S	S	*	*	H	α-helix	trans	-71.1	-39.2	173	-111.1	-87.5	0	0	0	111.9	Q20 T21 F22 K27 S28	Q20-Y24 WeakPolarHBondContact O-CB 3.22Å; Q20-Y24 PolarHBondContact O-N 2.97Å; T21-Y24 PolarHBondContact O-N 3.23Å; F22-Y24 VanDerWaalsContact C-N 3.31Å; F22-Y24 PolarHBondContact O-N 3.23Å; Y24-K27 CarbonylContact O-C 3.57Å; Y24-K27 PolarHBondContact O-N 3.11Å; Y24-S28 WeakPolarHBondContact O-CB 3.43Å; Y24-S28 PolarHBondContact O-N 3.16Å; Y24-S28 PolarHBondContact O-OG 2.78Å; Y24-S28 VanDerWaalsContact O-OG 3.11Å
25	Q	39.3	Very low	47.5	Very low	117 Å²	117	103.3 Å²	103.3	55%	0.547	55%	0.55	S	S	.	*	H	α-helix	trans	-63.8	-45.2	174.2	-68.8	-98.6	-73.6	0	0	110.4	T21 F22 K27 S28 D29	T21-Q25 WeakPolarHBondContact O-CB 3.14Å; T21-Q25 WeakPolarHBondContact O-CG 3.44Å; T21-Q25 PolarHBondContact O-N 3.41Å; F22-Q25 PolarHBondContact O-N 3.3Å; Q25-K27 PolarHBondContact O-N 3Å; Q25-S28 PolarHBondContact O-N 2.79Å; Q25-S28 PolarHBondContact O-OG 3.17Å; Q25-D29 WeakPolarHBondContact O-CB 3.38Å; Q25-D29 PolarHBondContact O-N 3.2Å
26	V	41.8	Very low	49.4	Very low	83 Å²	83	103.7 Å²	103.7	50%	0.503	55%	0.55	S	S	.	*	H	α-helix	trans	-62.4	-31	174.3	174.7	0	0	0	0	111.7	F22 S30	F22-V26 HydrophobicContact CD1-CG2 3.97Å; F22-V26 HydrophobicContact CE1-CG2 3.84Å; F22-V26 VanDerWaalsContact O-CG2 3.29Å; F22-V26 WeakPolarHBondContact O-CG2 3.26Å; F22-V26 PolarHBondContact O-N 3.27Å; V26-S30 PolarHBondContact O-N 3.33Å
27	K	36.9	Very low	51.2	Low	169 Å²	169	101.3 Å²	101.3	74%	0.735	53%	0.53	S	S	*	.	H	α-helix	trans	-87	-17.4	177.7	-154.6	165.4	-171	174	0	114.1	M23 Y24 Q25 S30	M23-K27 VanDerWaalsContact O-CB 3.26Å; M23-K27 WeakPolarHBondContact O-CB 3.39Å; M23-K27 PolarHBondContact O-N 3.43Å; Y24-K27 CarbonylContact O-C 3.57Å; Y24-K27 PolarHBondContact O-N 3.11Å; Q25-K27 PolarHBondContact O-N 3Å; K27-S30 PolarHBondContact O-OG 3.18Å
28	S	41	Very low	53	Low	72 Å²	72	97.8 Å²	97.8	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-95.9	-27.8	174.5	65.9	0	0	0	0	113	Y24 Q25 S30	Y24-S28 WeakPolarHBondContact O-CB 3.43Å; Y24-S28 PolarHBondContact O-N 3.16Å; Y24-S28 PolarHBondContact O-OG 2.78Å; Y24-S28 VanDerWaalsContact O-OG 3.11Å; Q25-S28 PolarHBondContact O-N 2.79Å; Q25-S28 PolarHBondContact O-OG 3.17Å; S28-S30 VanDerWaalsContact C-N 3.33Å
29	D	41.3	Very low	55.1	Low	119 Å²	119	92.5 Å²	92.5	64%	0.636	49%	0.486	S	S	*	.	S	Bend	trans	-90.3	3.2	168.9	-89.7	-10.4	0	0	0	112.9	Q25 T31	Q25-D29 WeakPolarHBondContact O-CB 3.38Å; Q25-D29 PolarHBondContact O-N 3.2Å; D29-T31 PolarHBondContact O-N 3.18Å; D29-T31 PolarHBondContact O-OG1 2.85Å
30	S	42.2	Very low	57.4	Low	64 Å²	64	87.5 Å²	87.5	45%	0.448	47%	0.466	S	S	.	.			trans	-72.4	52.4	151	82.9	0	0	0	0	109.6	V26 K27 S28 T32	V26-S30 PolarHBondContact O-N 3.33Å; K27-S30 PolarHBondContact O-OG 3.18Å; S28-S30 VanDerWaalsContact C-N 3.33Å; S30-T32 PolarHBondContact O-N 2.65Å
31	T	43.3	Very low	59.6	Low	98 Å²	98	80.7 Å²	80.7	60%	0.601	43%	0.434	S	S	*	.				-52.3	94.6	124.8	46.9	0	0	0	0	103.2	D29 E33	D29-T31 PolarHBondContact O-N 3.18Å; D29-T31 PolarHBondContact O-OG1 2.85Å; T31-E33 PolarHBondContact O-N 2.88Å
32	T	47.2	Very low	62	Low	95 Å²	95	81 Å²	81	58%	0.583	43%	0.427	S	S	*	.			trans	-50.7	96.7	169.7	36	0	0	0	0	104.2	S30 A34 I137	S30-T32 PolarHBondContact O-N 2.65Å; T32-A34 PolarHBondContact O-N 3.01Å; T32-I137 HydrophobicContact CG2-CG2 4.29Å
33	E	52.9	Low	64.3	Low	143 Å²	143	74.5 Å²	74.5	67%	0.668	40%	0.399	S	S	*	.			trans	-56.2	115.6	-178.3	-75.9	-168.2	160.1	0	0	103	T31 G35 R184	T31-E33 PolarHBondContact O-N 2.88Å; E33-G35 PolarHBondContact O-N 3.14Å; E33-R184 IonicContact OE1-NH1 3.82Å
34	A	61.4	Low	66.9	Low	51 Å²	51	69.5 Å²	69.5	42%	0.421	38%	0.375	S	S	.	.			trans	-59.6	114.9	-178.3	0	0	0	0	0	105.6	T32 I135	T32-A34 PolarHBondContact O-N 3.01Å; A34-I135 HydrophobicContact CB-CG2 3.82Å
35	G	74	Confident	69.5	Low	17 Å²	17	60.8 Å²	60.8	18%	0.175	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	143.1	171.1	0	0	0	0	0	108.5	E33 S136 A139	E33-G35 PolarHBondContact O-N 3.14Å; G35-S136 CarbonylContact C-O 3.56Å; G35-S136 WeakPolarHBondContact CA-O 3.4Å; G35-S136 PolarHBondContact N-O 2.93Å; G35-S136 PolarHBondContact O-N 2.87Å; G35-S136 VanDerWaalsContact O-N 3.08Å; G35-A139 VanDerWaalsContact O-CB 3.25Å; G35-A139 WeakPolarHBondContact O-CB 3.21Å
36	T	82.8	Confident	72	Confident	90 Å²	90	55.7 Å²	55.7	55%	0.552	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.1	170.8	56.2	0	0	0	0	108.6	L134 I135	T36-L134 VanDerWaalsContact CA-O 3.32Å; T36-L134 WeakPolarHBondContact CA-O 3.42Å; T36-I135 HydrophobicContact CG2-CG1 4.49Å
37	A	89.4	Confident	74.3	Confident	3 Å²	3	54.6 Å²	54.6	3%	0.025	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.9	170.7	0	0	0	0	0	109	F39 E133 L134 A139	A37-F39 HydrophobicContact CB-CE2 3.63Å; A37-F39 HydrophobicContact CB-CZ 4.15Å; A37-E133 WeakPolarHBondContact O-CA 3.21Å; A37-L134 PolarHBondContact N-O 3.04Å; A37-L134 VanDerWaalsContact N-O 3.12Å; A37-L134 PolarHBondContact O-N 2.91Å; A37-A139 HydrophobicContact CB-CB 4.14Å; A37-A139 WeakPolarHBondContact CB-O 3.47Å
38	S	92.2	Very high	76.6	Confident	26 Å²	26	48.7 Å²	48.7	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138	-177.2	-61	0	0	0	0	109.5	I132 E174	S38-I132 CarbonylContact C-O 3.53Å; S38-I132 WeakPolarHBondContact CA-O 3.5Å; S38-E174 WeakPolarHBondContact O-CB 3.42Å; S38-E174 PolarHBondContact O-N 2.87Å
39	F	95.5	Very high	78.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.4	-179.4	-59.9	-97.3	0	0	0	110.1	A37 N131 I132 L134 I142 E144 L147 I171 Y172 H173	A37-F39 HydrophobicContact CB-CE2 3.63Å; A37-F39 HydrophobicContact CB-CZ 4.15Å; F39-N131 CarbonylContact O-C 3.58Å; F39-N131 VanDerWaalsContact O-CA 3.27Å; F39-N131 WeakPolarHBondContact O-CA 3.36Å; F39-N131 PolarHBondContact O-ND2 3.46Å; F39-I132 HydrophobicContact CB-CG2 3.89Å; F39-I132 HydrophobicContact CD2-CG2 4.47Å; F39-I132 PolarHBondContact N-O 2.93Å; F39-I132 PolarHBondContact O-N 3.02Å; F39-L134 HydrophobicContact CD2-CD1 4.37Å; F39-L134 HydrophobicContact CD2-CG 4.48Å; F39-L134 HydrophobicContact CE2-CD1 3.85Å; F39-L134 HydrophobicContact CE2-CG 4.32Å; F39-I142 HydrophobicContact CE2-CG2 4.21Å; F39-I142 HydrophobicContact CZ-CB 4.14Å; F39-I142 HydrophobicContact CZ-CG2 3.82Å; F39-I142 WeakPolarHBondContact CZ-O 3.33Å; F39-E144 HydrophobicContact CD1-CG 4.39Å; F39-E144 HydrophobicContact CE1-CG 4.43Å; F39-L147 HydrophobicContact CB-CD2 3.65Å; F39-L147 HydrophobicContact CD1-CD2 3.83Å; F39-L147 HydrophobicContact CD2-CD2 3.46Å; F39-L147 VanDerWaalsContact CD2-CD2 3.46Å; F39-L147 HydrophobicContact CE1-CD2 4.33Å; F39-L147 HydrophobicContact CE2-CD2 4.01Å; F39-L147 HydrophobicContact CG-CD2 3.36Å; F39-L147 HydrophobicContact CZ-CD2 4.41Å; F39-I171 HydrophobicContact CB-CG2 4Å; F39-I171 HydrophobicContact CD1-CG2 3.79Å; F39-I171 HydrophobicContact CG-CG2 4.25Å; F39-Y172 CarbonylContact C-O 3.49Å; F39-Y172 VanDerWaalsContact CA-O 3.27Å; F39-Y172 WeakPolarHBondContact CA-O 3.43Å; F39-H173 HydrophobicContact CD1-CB 3.95Å; F39-H173 HydrophobicContact CE1-CB 3.81Å; F39-H173 AromaticContact CE1-CD2 3.31Å; F39-H173 WeakPolarHBondContact CE1-CD2 3.34Å; F39-H173 AromaticContact CE1-CG 3.81Å; F39-H173 AromaticContact CZ-CD2 3.43Å; F39-H173 VanDerWaalsContact CZ-CD2 3.43Å; F39-H173 WeakPolarHBondContact CZ-CD2 3.43Å
40	L	96.7	Very high	80.6	Confident	38 Å²	38	51.3 Å²	51.3	20%	0.199	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123	164.8	174.6	65.1	0	0	0	108.6	R42 N129 I171 Y172 E174	L40-R42 HydrophobicContact CD2-CG 4.34Å; L40-R42 HydrophobicContact CG-CG 4.24Å; L40-N129 HydrophobicContact CD1-CB 4.16Å; L40-I171 CarbonylContact O-C 3.55Å; L40-I171 WeakPolarHBondContact O-CA 3.27Å; L40-Y172 PolarHBondContact N-O 2.69Å; L40-Y172 PolarHBondContact O-N 3.31Å; L40-E174 HydrophobicContact CB-CG 4.3Å
41	I	98	Very high	82.4	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.3	173.2	-58.2	170.4	0	0	0	107.9	T79 N129 V130 I132 L151 I169 E170 I171	I41-T79 HydrophobicContact CD1-CG2 3.57Å; I41-N129 CarbonylContact O-C 3.56Å; I41-N129 WeakPolarHBondContact O-CA 3.13Å; I41-V130 HydrophobicContact CB-CG1 3.89Å; I41-V130 HydrophobicContact CG2-CG1 4.42Å; I41-V130 PolarHBondContact N-O 2.91Å; I41-V130 PolarHBondContact O-N 2.87Å; I41-I132 HydrophobicContact CD1-CB 4.27Å; I41-I132 HydrophobicContact CD1-CG2 3.62Å; I41-I132 HydrophobicContact CG1-CG2 4.2Å; I41-L151 HydrophobicContact CD1-CD2 4.19Å; I41-L151 HydrophobicContact CG2-CD2 4.29Å; I41-I169 HydrophobicContact CG2-CG2 3.95Å; I41-E170 CarbonylContact C-O 3.5Å; I41-E170 WeakPolarHBondContact CA-O 3.4Å; I41-I171 HydrophobicContact CG1-CD1 4.31Å; I41-I171 HydrophobicContact CG1-CG1 4.16Å
42	R	97.8	Very high	84.5	Confident	80 Å²	80	48 Å²	48	30%	0.302	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.3	171.1	-53.8	-163.8	-63.3	-154.3	3.9	109.2	L40 G128 N129 I169 E170 Y172	L40-R42 HydrophobicContact CD2-CG 4.34Å; L40-R42 HydrophobicContact CG-CG 4.24Å; R42-G128 CarbonylContact C-O 3.55Å; R42-G128 WeakPolarHBondContact CA-O 3.22Å; R42-N129 WeakPolarHBondContact CG-OD1 3.33Å; R42-I169 CarbonylContact O-C 3.5Å; R42-I169 VanDerWaalsContact O-CA 3.32Å; R42-I169 WeakPolarHBondContact O-CA 3.48Å; R42-E170 HydrophobicContact CB-CB 4.38Å; R42-E170 IonicContact CZ-OE2 2.65Å; R42-E170 VanDerWaalsContact CZ-OE2 3.25Å; R42-E170 PolarHBondContact N-O 3.14Å; R42-E170 IonicContact NE-OE2 3.25Å; R42-E170 PolarHBondContact NE-OE2 3.22Å; R42-E170 IonicContact NH2-OE2 2.79Å; R42-E170 PolarHBondContact NH2-OE2 3.04Å; R42-E170 PolarHBondContact O-N 3.24Å; R42-Y172 HydrophobicContact CG-CE2 4.27Å; R42-Y172 PolarHBondContact NH2-OH 3.28Å
43	S	95.8	Very high	86.4	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.028	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	155.7	177.3	60.6	0	0	0	0	111.7	Q127 G128	S43-Q127 CarbonylContact O-C 3.42Å; S43-Q127 VanDerWaalsContact O-CA 3.32Å; S43-Q127 WeakPolarHBondContact O-CA 3.36Å; S43-Q127 WeakPolarHBondContact O-CG 3.21Å; S43-G128 PolarHBondContact N-O 3.28Å; S43-G128 PolarHBondContact O-N 3.04Å
44	I	94.3	Very high	88.3	Confident	5 Å²	5	40.9 Å²	40.9	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.7	171.8	-54.3	-54.3	0	0	0	109.2	Y46 Y53 F104 Q127 V166 M167 N168	I44-Y46 HydrophobicContact CB-CE2 3.85Å; I44-Y46 HydrophobicContact CG2-CD2 4.39Å; I44-Y46 HydrophobicContact CG2-CE2 3.6Å; I44-Y46 WeakPolarHBondContact O-CD2 3.32Å; I44-Y46 WeakPolarHBondContact O-CE2 3.05Å; I44-Y53 HydrophobicContact CG2-CD1 3.98Å; I44-Y53 HydrophobicContact CG2-CE1 3.95Å; I44-F104 HydrophobicContact CD1-CB 4.11Å; I44-F104 HydrophobicContact CD1-CD1 3.89Å; I44-F104 HydrophobicContact CD1-CD2 3.52Å; I44-F104 HydrophobicContact CD1-CE1 4.17Å; I44-F104 HydrophobicContact CD1-CE2 3.83Å; I44-F104 HydrophobicContact CD1-CG 3.55Å; I44-F104 HydrophobicContact CD1-CZ 4.15Å; I44-F104 HydrophobicContact CG1-CD1 4.41Å; I44-F104 HydrophobicContact CG1-CE1 4.35Å; I44-F104 HydrophobicContact CG1-CZ 4.41Å; I44-F104 HydrophobicContact CG2-CD1 4.28Å; I44-Q127 HydrophobicContact CD1-CB 3.79Å; I44-Q127 HydrophobicContact CD1-CG 3.93Å; I44-V166 WeakPolarHBondContact O-CA 3.43Å; I44-M167 PolarHBondContact N-O 2.97Å; I44-M167 PolarHBondContact O-N 3.07Å; I44-N168 HydrophobicContact CG1-CB 4.13Å
45	I	95.2	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.6	-174.8	-49.6	-178.3	0	0	0	110.7	Y54 L71 L75 F101 V126 I164 F165	I45-Y54 HydrophobicContact CG2-CD2 4.15Å; I45-Y54 HydrophobicContact CG2-CG 4.25Å; I45-Y54 WeakPolarHBondContact O-CB 3.24Å; I45-Y54 PolarHBondContact O-N 3.16Å; I45-L71 HydrophobicContact CD1-CD1 4.22Å; I45-L71 HydrophobicContact CD1-CD2 4.17Å; I45-L71 HydrophobicContact CD1-CG 4.26Å; I45-L71 HydrophobicContact CG2-CD1 4.3Å; I45-L75 HydrophobicContact CD1-CD2 4.34Å; I45-F101 HydrophobicContact CD1-CD1 4.06Å; I45-F101 HydrophobicContact CD1-CE1 3.72Å; I45-V126 HydrophobicContact CB-CB 4.4Å; I45-V126 HydrophobicContact CD1-CG1 3.86Å; I45-V126 HydrophobicContact CG1-CG1 4.38Å; I45-V126 PolarHBondContact N-O 3.36Å; I45-I164 HydrophobicContact CG2-CB 4.1Å; I45-I164 HydrophobicContact CG2-CG2 4.28Å; I45-F165 CarbonylContact C-O 3.56Å; I45-F165 WeakPolarHBondContact CA-O 3.25Å
46	Y	93	Very high	90.6	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.1	178.3	-63.2	-93.9	0	0	0	109.8	I44 G51 T52 Y53 I164 F165 M167	I44-Y46 HydrophobicContact CB-CE2 3.85Å; I44-Y46 HydrophobicContact CG2-CD2 4.39Å; I44-Y46 HydrophobicContact CG2-CE2 3.6Å; I44-Y46 WeakPolarHBondContact O-CD2 3.32Å; I44-Y46 WeakPolarHBondContact O-CE2 3.05Å; Y46-G51 VanDerWaalsContact CD1-O 3.32Å; Y46-G51 WeakPolarHBondContact CD1-O 3.46Å; Y46-G51 WeakPolarHBondContact CE1-O 3.45Å; Y46-T52 CarbonylContact C-O 3.48Å; Y46-T52 WeakPolarHBondContact CA-O 3.31Å; Y46-T52 WeakPolarHBondContact CB-O 3.25Å; Y46-Y53 HydrophobicContact CD1-CD1 4.09Å; Y46-Y53 HydrophobicContact CD1-CE1 4.44Å; Y46-Y53 HydrophobicContact CD1-CG 4.23Å; Y46-Y53 AromaticContact CE1-CD1 3.46Å; Y46-Y53 HydrophobicContact CE1-CD1 3.46Å; Y46-Y53 VanDerWaalsContact CE1-CD1 3.46Å; Y46-Y53 HydrophobicContact CE1-CD2 4.17Å; Y46-Y53 AromaticContact CE1-CE1 3.41Å; Y46-Y53 HydrophobicContact CE1-CE1 3.41Å; Y46-Y53 VanDerWaalsContact CE1-CE1 3.41Å; Y46-Y53 HydrophobicContact CE1-CE2 4.12Å; Y46-Y53 AromaticContact CE1-CG 3.87Å; Y46-Y53 HydrophobicContact CE1-CG 3.87Å; Y46-Y53 AromaticContact CE1-CZ 3.75Å; Y46-Y53 AromaticContact CZ-CD1 3.8Å; Y46-Y53 AromaticContact CZ-CE1 3.48Å; Y46-Y53 VanDerWaalsContact CZ-CE1 3.48Å; Y46-Y53 WeakPolarHBondContact OH-CE1 3.23Å; Y46-I164 WeakPolarHBondContact O-CA 3.49Å; Y46-F165 PolarHBondContact N-O 3.44Å; Y46-F165 PolarHBondContact O-N 3.24Å; Y46-M167 HydrophobicContact CD1-CE 3.83Å; Y46-M167 HydrophobicContact CD2-CB 4.24Å; Y46-M167 HydrophobicContact CD2-CE 3.56Å; Y46-M167 HydrophobicContact CD2-CG 4.08Å; Y46-M167 HydrophobicContact CE1-CE 3.49Å; Y46-M167 VanDerWaalsContact CE1-CE 3.49Å; Y46-M167 HydrophobicContact CE2-CB 3.72Å; Y46-M167 HydrophobicContact CE2-CE 3.22Å; Y46-M167 HydrophobicContact CE2-CG 3.97Å; Y46-M167 HydrophobicContact CE2-SD 4.45Å; Y46-M167 HydrophobicContact CG-CE 3.85Å
47	T	89.9	Confident	91	Very high	59 Å²	59	45.9 Å²	45.9	36%	0.362	23%	0.233	S	C	.	.	S	Bend	trans	-85.9	-22.1	177.2	55.1	0	0	0	0	112.4	T52 Y54	T47-T52 PolarHBondContact N-O 2.81Å; T47-T52 WeakPolarHBondContact OG1-CB 3.49Å; T47-T52 WeakPolarHBondContact OG1-CG2 3.36Å; T47-T52 PolarHBondContact OG1-O 3.12Å; T47-Y54 HydrophobicContact CG2-CD2 3.71Å; T47-Y54 HydrophobicContact CG2-CE2 4.39Å; T47-Y54 HydrophobicContact CG2-CG 4.15Å
48	D	85.9	Confident	91.2	Very high	45 Å²	45	49.5 Å²	49.5	24%	0.241	26%	0.258	C	S	.	.	S	Bend	trans	-142.4	170.3	-179.9	66.6	31.5	0	0	0	112.6	N50 G51 T52 F165	D48-N50 PolarHBondContact O-N 3Å; D48-N50 WeakPolarHBondContact OD1-CA 3.43Å; D48-N50 WeakPolarHBondContact OD1-CB 3.47Å; D48-N50 PolarHBondContact OD1-N 2.9Å; D48-G51 PolarHBondContact OD1-N 3.45Å; D48-T52 VanDerWaalsContact CG-OG1 3.29Å; D48-T52 WeakPolarHBondContact OD1-CB 3.27Å; D48-T52 PolarHBondContact OD1-N 3.33Å; D48-T52 PolarHBondContact OD1-OG1 3.02Å; D48-T52 VanDerWaalsContact OD2-CB 3.25Å; D48-T52 WeakPolarHBondContact OD2-CB 3.37Å; D48-T52 PolarHBondContact OD2-OG1 2.81Å; D48-F165 VanDerWaalsContact CA-CE2 3.48Å
49	I	82.1	Confident	91.3	Very high	109 Å²	109	52.4 Å²	52.4	56%	0.559	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.6	174.5	58.6	171.8	0	0	0	113.6	G51 K160 F165	I49-G51 PolarHBondContact O-N 3.07Å; I49-K160 HydrophobicContact CG2-CD 4.06Å; I49-F165 HydrophobicContact CB-CE1 4.46Å; I49-F165 HydrophobicContact CG2-CD1 3.58Å; I49-F165 HydrophobicContact CG2-CE1 3.15Å; I49-F165 HydrophobicContact CG2-CE2 4.26Å; I49-F165 HydrophobicContact CG2-CG 4.3Å; I49-F165 HydrophobicContact CG2-CZ 3.54Å
50	N	82.6	Confident	91.3	Very high	138 Å²	138	52.5 Å²	52.5	74%	0.738	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.5	-176.3	-61.2	-36.9	0	0	0	111.8	D48	D48-N50 PolarHBondContact O-N 3Å; D48-N50 WeakPolarHBondContact OD1-CA 3.43Å; D48-N50 WeakPolarHBondContact OD1-CB 3.47Å; D48-N50 PolarHBondContact OD1-N 2.9Å
51	G	79.6	Confident	91.2	Very high	22 Å²	22	57.3 Å²	57.3	23%	0.227	29%	0.29	C	S	.	.			trans	89.3	22.4	178.6	0	0	0	0	0	113.3	Y46 D48 I49 Y53	Y46-G51 VanDerWaalsContact CD1-O 3.32Å; Y46-G51 WeakPolarHBondContact CD1-O 3.46Å; Y46-G51 WeakPolarHBondContact CE1-O 3.45Å; D48-G51 PolarHBondContact OD1-N 3.45Å; I49-G51 PolarHBondContact O-N 3.07Å; G51-Y53 PolarHBondContact O-N 3.08Å
52	T	87.5	Confident	91.1	Very high	71 Å²	71	61 Å²	61	44%	0.436	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-70.2	116.4	168.6	-55.6	0	0	0	0	109.4	Y46 T47 D48	Y46-T52 CarbonylContact C-O 3.48Å; Y46-T52 WeakPolarHBondContact CA-O 3.31Å; Y46-T52 WeakPolarHBondContact CB-O 3.25Å; T47-T52 PolarHBondContact N-O 2.81Å; T47-T52 WeakPolarHBondContact OG1-CB 3.49Å; T47-T52 WeakPolarHBondContact OG1-CG2 3.36Å; T47-T52 PolarHBondContact OG1-O 3.12Å; D48-T52 VanDerWaalsContact CG-OG1 3.29Å; D48-T52 WeakPolarHBondContact OD1-CB 3.27Å; D48-T52 PolarHBondContact OD1-N 3.33Å; D48-T52 PolarHBondContact OD1-OG1 3.02Å; D48-T52 VanDerWaalsContact OD2-CB 3.25Å; D48-T52 WeakPolarHBondContact OD2-CB 3.37Å; D48-T52 PolarHBondContact OD2-OG1 2.81Å
53	Y	88.4	Confident	91	Very high	43 Å²	43	61.3 Å²	61.3	17%	0.169	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-63.4	143.1	-179.1	-67.7	-89.3	0	0	0	111.6	I44 Y46 G51 Q55 I106	I44-Y53 HydrophobicContact CG2-CD1 3.98Å; I44-Y53 HydrophobicContact CG2-CE1 3.95Å; Y46-Y53 HydrophobicContact CD1-CD1 4.09Å; Y46-Y53 HydrophobicContact CD1-CE1 4.44Å; Y46-Y53 HydrophobicContact CD1-CG 4.23Å; Y46-Y53 AromaticContact CE1-CD1 3.46Å; Y46-Y53 HydrophobicContact CE1-CD1 3.46Å; Y46-Y53 VanDerWaalsContact CE1-CD1 3.46Å; Y46-Y53 HydrophobicContact CE1-CD2 4.17Å; Y46-Y53 AromaticContact CE1-CE1 3.41Å; Y46-Y53 HydrophobicContact CE1-CE1 3.41Å; Y46-Y53 VanDerWaalsContact CE1-CE1 3.41Å; Y46-Y53 HydrophobicContact CE1-CE2 4.12Å; Y46-Y53 AromaticContact CE1-CG 3.87Å; Y46-Y53 HydrophobicContact CE1-CG 3.87Å; Y46-Y53 AromaticContact CE1-CZ 3.75Å; Y46-Y53 AromaticContact CZ-CD1 3.8Å; Y46-Y53 AromaticContact CZ-CE1 3.48Å; Y46-Y53 VanDerWaalsContact CZ-CE1 3.48Å; Y46-Y53 WeakPolarHBondContact OH-CE1 3.23Å; G51-Y53 PolarHBondContact O-N 3.08Å; Y53-Q55 PolarHBondContact O-N 3.3Å; Y53-I106 HydrophobicContact CD1-CD1 3.46Å; Y53-I106 VanDerWaalsContact CD1-CD1 3.46Å; Y53-I106 HydrophobicContact CD1-CG1 4Å; Y53-I106 HydrophobicContact CD2-CD1 3.39Å; Y53-I106 HydrophobicContact CD2-CG1 4.34Å; Y53-I106 HydrophobicContact CE1-CD1 3.78Å; Y53-I106 HydrophobicContact CE1-CG1 3.85Å; Y53-I106 HydrophobicContact CE2-CD1 3.73Å; Y53-I106 HydrophobicContact CE2-CG1 4.22Å; Y53-I106 HydrophobicContact CE2-CG2 3.82Å; Y53-I106 HydrophobicContact CG-CD1 3.23Å; Y53-I106 HydrophobicContact CG-CG1 4.23Å
54	Y	91.5	Very high	91	Very high	44 Å²	44	67.8 Å²	67.8	17%	0.173	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-68.8	116.2	163.7	-157.8	-71.3	0	0	0	108.2	I45 T47 W56 L60 L71 G125 V126 I164	I45-Y54 HydrophobicContact CG2-CD2 4.15Å; I45-Y54 HydrophobicContact CG2-CG 4.25Å; I45-Y54 WeakPolarHBondContact O-CB 3.24Å; I45-Y54 PolarHBondContact O-N 3.16Å; T47-Y54 HydrophobicContact CG2-CD2 3.71Å; T47-Y54 HydrophobicContact CG2-CE2 4.39Å; T47-Y54 HydrophobicContact CG2-CG 4.15Å; Y54-W56 PolarHBondContact O-N 2.86Å; Y54-L60 HydrophobicContact CE1-CD1 4.48Å; Y54-L71 HydrophobicContact CD1-CD2 4.32Å; Y54-L71 HydrophobicContact CD2-CD1 4.23Å; Y54-L71 HydrophobicContact CE1-CD2 4.04Å; Y54-L71 HydrophobicContact CE2-CD1 3.89Å; Y54-G125 CarbonylContact O-C 3.57Å; Y54-G125 VanDerWaalsContact O-CA 3.3Å; Y54-G125 WeakPolarHBondContact O-CA 3.37Å; Y54-V126 HydrophobicContact CD1-CG2 3.72Å; Y54-V126 HydrophobicContact CG-CG2 4.41Å; Y54-V126 WeakPolarHBondContact O-CG2 3.39Å; Y54-V126 PolarHBondContact O-N 2.97Å; Y54-V126 VanDerWaalsContact O-N 3.08Å; Y54-I164 HydrophobicContact CD2-CG2 4.45Å; Y54-I164 HydrophobicContact CE2-CG2 4.42Å
55	Q	90.9	Very high	91.2	Very high	138 Å²	138	68.3 Å²	68.3	65%	0.645	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-70.2	132	-176.9	-173.6	177.1	-6.1	0	0	110.4	Y53 K57	Y53-Q55 PolarHBondContact O-N 3.3Å; Q55-K57 PolarHBondContact O-N 3.01Å
56	W	93	Very high	91.3	Very high	44 Å²	44	73.3 Å²	73.3	17%	0.167	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-59.8	136.3	173.4	-178.5	-99.5	0	0	0	111.2	Y54 L60 Q61 F101 L102 P103 T124 V126	Y54-W56 PolarHBondContact O-N 2.86Å; W56-L60 HydrophobicContact CE3-CD1 4.19Å; W56-L60 HydrophobicContact CH2-CB 4.13Å; W56-L60 HydrophobicContact CZ3-CB 4.15Å; W56-L60 HydrophobicContact CZ3-CD1 4.29Å; W56-Q61 HydrophobicContact CH2-CG 4.21Å; W56-Q61 HydrophobicContact CZ2-CG 3.6Å; W56-F101 HydrophobicContact CH2-CB 4.27Å; W56-F101 WeakPolarHBondContact CH2-O 3.35Å; W56-F101 HydrophobicContact CZ3-CB 3.84Å; W56-L102 WeakPolarHBondContact CZ3-O 3.17Å; W56-P103 HydrophobicContact CD2-CB 3.84Å; W56-P103 HydrophobicContact CE3-CB 4.09Å; W56-P103 HydrophobicContact CG-CB 4.12Å; W56-P103 HydrophobicContact CZ2-CG 4.43Å; W56-P103 VanDerWaalsContact CZ3-N 3.31Å; W56-T124 HydrophobicContact CB-CG2 3.74Å; W56-T124 WeakPolarHBondContact CB-O 3.27Å; W56-T124 HydrophobicContact CG-CG2 4.1Å; W56-T124 PolarHBondContact N-O 3.42Å; W56-V126 HydrophobicContact CE3-CG2 3.96Å
57	K	92.6	Very high	91.4	Very high	82 Å²	82	75.2 Å²	75.2	36%	0.357	40%	0.4	S	S	.	.			trans	-128.9	145.8	173.2	-59.2	-176.1	-170.7	174.9	0	109.1	Q55 E59 L60 D67	Q55-K57 PolarHBondContact O-N 3.01Å; K57-E59 WeakPolarHBondContact CB-OE2 3.49Å; K57-E59 PolarHBondContact O-N 3.24Å; K57-L60 HydrophobicContact CB-CG 4.45Å; K57-L60 WeakPolarHBondContact O-CB 3.18Å; K57-L60 PolarHBondContact O-N 3.39Å; K57-L60 VanDerWaalsContact O-N 3.14Å; K57-D67 IonicContact NZ-OD1 2.8Å; K57-D67 PolarHBondContact NZ-OD1 2.71Å
58	S	92.6	Very high	91.7	Very high	79 Å²	79	73.9 Å²	73.9	55%	0.552	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-57.2	-31.2	176.5	35.6	0	0	0	0	113.2	L60 Q61	S58-L60 PolarHBondContact O-N 3.06Å; S58-Q61 WeakPolarHBondContact O-CB 3.24Å; S58-Q61 PolarHBondContact O-N 3.29Å
59	E	95.5	Very high	92.3	Very high	86 Å²	86	76.3 Å²	76.3	40%	0.402	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-63.1	-23.8	-179	-67.5	81.3	170	0	0	112	K57 Q61 D62 S65 D67	K57-E59 WeakPolarHBondContact CB-OE2 3.49Å; K57-E59 PolarHBondContact O-N 3.24Å; E59-Q61 PolarHBondContact O-N 3.11Å; E59-D62 PolarHBondContact O-N 3.49Å; E59-D62 VanDerWaalsContact O-N 3.13Å; E59-S65 WeakPolarHBondContact O-CB 3.22Å; E59-S65 PolarHBondContact O-OG 3.17Å; E59-D67 HydrophobicContact CB-CB 4.11Å
60	L	95.5	Very high	92.9	Very high	2 Å²	2	74.5 Å²	74.5	1%	0.01	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-71.8	-5.6	174.5	-60.7	180	0	0	0	113.4	Y54 W56 K57 S58 D67 Y68 L71 F101 V126	Y54-L60 HydrophobicContact CE1-CD1 4.48Å; W56-L60 HydrophobicContact CE3-CD1 4.19Å; W56-L60 HydrophobicContact CH2-CB 4.13Å; W56-L60 HydrophobicContact CZ3-CB 4.15Å; W56-L60 HydrophobicContact CZ3-CD1 4.29Å; K57-L60 HydrophobicContact CB-CG 4.45Å; K57-L60 WeakPolarHBondContact O-CB 3.18Å; K57-L60 PolarHBondContact O-N 3.39Å; K57-L60 VanDerWaalsContact O-N 3.14Å; S58-L60 PolarHBondContact O-N 3.06Å; L60-D67 HydrophobicContact CD2-CB 4.19Å; L60-Y68 WeakPolarHBondContact O-CD2 3.14Å; L60-L71 HydrophobicContact CD1-CD2 3.97Å; L60-L71 HydrophobicContact CD2-CB 4.38Å; L60-L71 HydrophobicContact CD2-CD2 3.8Å; L60-F101 HydrophobicContact CB-CB 4.2Å; L60-F101 HydrophobicContact CB-CD2 4.36Å; L60-F101 HydrophobicContact CD2-CD2 4.23Å; L60-V126 HydrophobicContact CD1-CG1 4.22Å; L60-V126 HydrophobicContact CD1-CG2 3.51Å
61	Q	94.1	Very high	93.5	Very high	140 Å²	140	68 Å²	68	65%	0.654	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-88.7	-21.1	170.6	-58.3	-179.9	28.4	0	0	112.4	W56 S58 E59	W56-Q61 HydrophobicContact CH2-CG 4.21Å; W56-Q61 HydrophobicContact CZ2-CG 3.6Å; S58-Q61 WeakPolarHBondContact O-CB 3.24Å; S58-Q61 PolarHBondContact O-N 3.29Å; E59-Q61 PolarHBondContact O-N 3.11Å
62	D	96.3	Very high	94.4	Very high	81 Å²	81	67.4 Å²	67.4	43%	0.433	35%	0.352	S	S	.	.			trans	-95.8	109	178.4	179	8	0	0	0	109.9	E59 L64 S65 Y68	E59-D62 PolarHBondContact O-N 3.49Å; E59-D62 VanDerWaalsContact O-N 3.13Å; D62-L64 PolarHBondContact O-N 3.44Å; D62-L64 VanDerWaalsContact O-N 3.1Å; D62-L64 WeakPolarHBondContact OD1-CB 3.34Å; D62-L64 PolarHBondContact OD1-N 3.23Å; D62-S65 WeakPolarHBondContact O-CB 3.14Å; D62-S65 PolarHBondContact O-N 2.99Å; D62-S65 PolarHBondContact O-OG 3.3Å; D62-S65 VanDerWaalsContact O-OG 3.09Å; D62-Y68 WeakPolarHBondContact O-CB 3.31Å
63	V	94.8	Very high	94.8	Very high	86 Å²	86	68.2 Å²	68.2	52%	0.521	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.1	-178.9	-60.3	0	0	0	0	113.8	Y68	V63-Y68 HydrophobicContact CB-CD1 4.18Å; V63-Y68 HydrophobicContact CB-CE1 3.92Å; V63-Y68 HydrophobicContact CG1-CE1 4.01Å; V63-Y68 HydrophobicContact CG1-CE2 4.06Å; V63-Y68 WeakPolarHBondContact O-CD1 3.28Å
64	L	96.4	Very high	95.1	Very high	139 Å²	139	67.7 Å²	67.7	73%	0.728	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.8	176.7	-56.5	-179.3	0	0	0	112.7	D62 M69	D62-L64 PolarHBondContact O-N 3.44Å; D62-L64 VanDerWaalsContact O-N 3.1Å; D62-L64 WeakPolarHBondContact OD1-CB 3.34Å; D62-L64 PolarHBondContact OD1-N 3.23Å; L64-M69 WeakPolarHBondContact O-CE 3.44Å
65	S	97.6	Very high	95.3	Very high	17 Å²	17	65.7 Å²	65.7	12%	0.119	35%	0.346	C	S	.	.	S	Bend	trans	-72.6	148.6	179.7	85.8	0	0	0	0	111.6	E59 D62 D67 Y68 M69	E59-S65 WeakPolarHBondContact O-CB 3.22Å; E59-S65 PolarHBondContact O-OG 3.17Å; D62-S65 WeakPolarHBondContact O-CB 3.14Å; D62-S65 PolarHBondContact O-N 2.99Å; D62-S65 PolarHBondContact O-OG 3.3Å; D62-S65 VanDerWaalsContact O-OG 3.09Å; S65-D67 VanDerWaalsContact C-N 3.32Å; S65-D67 PolarHBondContact O-N 3.41Å; S65-Y68 PolarHBondContact O-N 2.95Å; S65-Y68 VanDerWaalsContact OG-CB 3.23Å; S65-Y68 WeakPolarHBondContact OG-CB 3.27Å; S65-Y68 PolarHBondContact OG-N 3.1Å; S65-M69 WeakPolarHBondContact O-CG 3.37Å; S65-M69 PolarHBondContact O-N 2.96Å
66	T	97	Very high	95.6	Very high	105 Å²	105	59.9 Å²	59.9	64%	0.644	32%	0.32	S	S	*	.	H	α-helix	trans	-63.2	-39.1	176.9	-53.4	0	0	0	0	112	T70	T66-T70 VanDerWaalsContact O-CB 3.24Å; T66-T70 WeakPolarHBondContact O-CB 3.13Å; T66-T70 PolarHBondContact O-N 2.79Å; T66-T70 PolarHBondContact O-OG1 3.17Å
67	D	94.8	Very high	95.7	Very high	50 Å²	50	60.5 Å²	60.5	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-47.1	176.1	-74	-83.9	0	0	0	111	K57 E59 L60 S65 L71	K57-D67 IonicContact NZ-OD1 2.8Å; K57-D67 PolarHBondContact NZ-OD1 2.71Å; E59-D67 HydrophobicContact CB-CB 4.11Å; L60-D67 HydrophobicContact CD2-CB 4.19Å; S65-D67 VanDerWaalsContact C-N 3.32Å; S65-D67 PolarHBondContact O-N 3.41Å; D67-L71 WeakPolarHBondContact O-CB 3.29Å; D67-L71 PolarHBondContact O-N 2.87Å
68	Y	97.7	Very high	95.8	Very high	30 Å²	30	56.8 Å²	56.8	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-54.3	177.4	178.8	-84.9	0	0	0	111.4	L60 D62 V63 S65 T70 L71 A72 I99 F101	L60-Y68 WeakPolarHBondContact O-CD2 3.14Å; D62-Y68 WeakPolarHBondContact O-CB 3.31Å; V63-Y68 HydrophobicContact CB-CD1 4.18Å; V63-Y68 HydrophobicContact CB-CE1 3.92Å; V63-Y68 HydrophobicContact CG1-CE1 4.01Å; V63-Y68 HydrophobicContact CG1-CE2 4.06Å; V63-Y68 WeakPolarHBondContact O-CD1 3.28Å; S65-Y68 PolarHBondContact O-N 2.95Å; S65-Y68 VanDerWaalsContact OG-CB 3.23Å; S65-Y68 WeakPolarHBondContact OG-CB 3.27Å; S65-Y68 PolarHBondContact OG-N 3.1Å; Y68-T70 VanDerWaalsContact C-N 3.29Å; Y68-T70 PolarHBondContact O-N 2.84Å; Y68-L71 PolarHBondContact O-N 2.88Å; Y68-A72 HydrophobicContact CD1-CB 4.37Å; Y68-A72 HydrophobicContact CE1-CB 4.08Å; Y68-A72 WeakPolarHBondContact O-CB 3.16Å; Y68-A72 PolarHBondContact O-N 2.88Å; Y68-I99 PolarHBondContact OH-O 3.15Å; Y68-F101 AromaticContact CD2-CD2 3.57Å; Y68-F101 HydrophobicContact CD2-CD2 3.57Å; Y68-F101 AromaticContact CD2-CE2 3.83Å; Y68-F101 HydrophobicContact CD2-CE2 3.83Å; Y68-F101 AromaticContact CE2-CD2 3.62Å; Y68-F101 HydrophobicContact CE2-CD2 3.62Å; Y68-F101 AromaticContact CE2-CE2 3.88Å; Y68-F101 HydrophobicContact CE2-CE2 3.88Å; Y68-F101 HydrophobicContact CG-CD2 4.49Å; Y68-F101 HydrophobicContact CG-CE2 4.39Å
69	M	97	Very high	96	Very high	96 Å²	96	53.2 Å²	53.2	47%	0.473	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-40.2	-176.6	-71.7	-173.5	-69.6	0	0	111.9	L64 S65 N73	L64-M69 WeakPolarHBondContact O-CE 3.44Å; S65-M69 WeakPolarHBondContact O-CG 3.37Å; S65-M69 PolarHBondContact O-N 2.96Å; M69-N73 VanDerWaalsContact O-CB 3.22Å; M69-N73 WeakPolarHBondContact O-CB 3.39Å; M69-N73 PolarHBondContact O-N 2.78Å
70	T	95.6	Very high	96	Very high	71 Å²	71	51.2 Å²	51.2	44%	0.436	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-48	179	-57.7	0	0	0	0	110.7	T66 Y68 N73 N74	T66-T70 VanDerWaalsContact O-CB 3.24Å; T66-T70 WeakPolarHBondContact O-CB 3.13Å; T66-T70 PolarHBondContact O-N 2.79Å; T66-T70 PolarHBondContact O-OG1 3.17Å; Y68-T70 VanDerWaalsContact C-N 3.29Å; Y68-T70 PolarHBondContact O-N 2.84Å; T70-N73 PolarHBondContact O-N 2.81Å; T70-N74 WeakPolarHBondContact O-CB 3.18Å; T70-N74 PolarHBondContact O-N 3.18Å; T70-N74 PolarHBondContact O-ND2 3.12Å; T70-N74 PolarHBondContact O-OD1 2.9Å
71	L	95.9	Very high	96	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-67.4	-40.2	-179.7	-171.3	58.3	0	0	0	111.8	I45 Y54 L60 D67 Y68 N74 L75 F101 V126 I164	I45-L71 HydrophobicContact CD1-CD1 4.22Å; I45-L71 HydrophobicContact CD1-CD2 4.17Å; I45-L71 HydrophobicContact CD1-CG 4.26Å; I45-L71 HydrophobicContact CG2-CD1 4.3Å; Y54-L71 HydrophobicContact CD1-CD2 4.32Å; Y54-L71 HydrophobicContact CD2-CD1 4.23Å; Y54-L71 HydrophobicContact CE1-CD2 4.04Å; Y54-L71 HydrophobicContact CE2-CD1 3.89Å; L60-L71 HydrophobicContact CD1-CD2 3.97Å; L60-L71 HydrophobicContact CD2-CB 4.38Å; L60-L71 HydrophobicContact CD2-CD2 3.8Å; D67-L71 WeakPolarHBondContact O-CB 3.29Å; D67-L71 PolarHBondContact O-N 2.87Å; Y68-L71 PolarHBondContact O-N 2.88Å; L71-N74 PolarHBondContact O-N 2.87Å; L71-L75 WeakPolarHBondContact O-CB 3.49Å; L71-L75 PolarHBondContact O-N 3.46Å; L71-F101 HydrophobicContact CB-CE2 4Å; L71-F101 HydrophobicContact CB-CZ 3.83Å; L71-F101 HydrophobicContact CD2-CD1 4.1Å; L71-F101 HydrophobicContact CD2-CD2 4.35Å; L71-F101 HydrophobicContact CD2-CE1 3.83Å; L71-F101 HydrophobicContact CD2-CE2 4.08Å; L71-F101 HydrophobicContact CD2-CG 4.37Å; L71-F101 HydrophobicContact CD2-CZ 3.82Å; L71-F101 HydrophobicContact CG-CE1 3.79Å; L71-F101 HydrophobicContact CG-CE2 4.04Å; L71-F101 HydrophobicContact CG-CZ 3.5Å; L71-F101 VanDerWaalsContact CG-CZ 3.5Å; L71-V126 HydrophobicContact CD2-CG1 4.24Å; L71-I164 HydrophobicContact CD1-CG2 3.79Å
72	A	97	Very high	96.1	Very high	9 Å²	9	48.6 Å²	48.6	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-45.3	176.8	0	0	0	0	0	111.6	Y68 N74 L75 C76 I99 F101	Y68-A72 HydrophobicContact CD1-CB 4.37Å; Y68-A72 HydrophobicContact CE1-CB 4.08Å; Y68-A72 WeakPolarHBondContact O-CB 3.16Å; Y68-A72 PolarHBondContact O-N 2.88Å; A72-N74 PolarHBondContact O-N 2.89Å; A72-L75 PolarHBondContact O-N 2.97Å; A72-C76 WeakPolarHBondContact O-CB 3.47Å; A72-C76 PolarHBondContact O-N 3.1Å; A72-I99 HydrophobicContact CB-CB 4.23Å; A72-I99 HydrophobicContact CB-CG1 4.38Å; A72-I99 HydrophobicContact CB-CG2 4.03Å; A72-F101 HydrophobicContact CB-CE2 4.08Å; A72-F101 HydrophobicContact CB-CZ 4.14Å
73	N	95.8	Very high	96	Very high	89 Å²	89	44.8 Å²	44.8	48%	0.476	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-44.1	175.4	-178.5	66.5	0	0	0	111.7	M69 T70 C76 N77	M69-N73 VanDerWaalsContact O-CB 3.22Å; M69-N73 WeakPolarHBondContact O-CB 3.39Å; M69-N73 PolarHBondContact O-N 2.78Å; T70-N73 PolarHBondContact O-N 2.81Å; N73-C76 PolarHBondContact O-N 2.86Å; N73-N77 PolarHBondContact ND2-ND2 3.42Å; N73-N77 WeakPolarHBondContact O-CB 3.45Å; N73-N77 PolarHBondContact O-N 3.01Å; N73-N77 PolarHBondContact O-ND2 2.69Å; N73-N77 PolarHBondContact OD1-ND2 2.99Å
74	N	95.4	Very high	96.1	Very high	32 Å²	32	46 Å²	46	17%	0.171	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-42.8	178.1	-68.7	-9.4	0	0	0	111.8	T70 L71 A72 N77 L78 I164	T70-N74 WeakPolarHBondContact O-CB 3.18Å; T70-N74 PolarHBondContact O-N 3.18Å; T70-N74 PolarHBondContact O-ND2 3.12Å; T70-N74 PolarHBondContact O-OD1 2.9Å; L71-N74 PolarHBondContact O-N 2.87Å; A72-N74 PolarHBondContact O-N 2.89Å; N74-N77 PolarHBondContact O-N 3.38Å; N74-L78 VanDerWaalsContact O-CB 3.24Å; N74-L78 WeakPolarHBondContact O-CB 3.44Å; N74-L78 PolarHBondContact O-N 2.99Å; N74-I164 HydrophobicContact CB-CD1 3.75Å; N74-I164 HydrophobicContact CB-CG1 4.11Å
75	L	96.2	Very high	96	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-42.4	177.4	-177.9	61.5	0	0	0	111.5	I45 L71 A72 T79 I99 F101 V130 I164 V166	I45-L75 HydrophobicContact CD1-CD2 4.34Å; L71-L75 WeakPolarHBondContact O-CB 3.49Å; L71-L75 PolarHBondContact O-N 3.46Å; A72-L75 PolarHBondContact O-N 2.97Å; L75-T79 WeakPolarHBondContact O-CB 3.43Å; L75-T79 PolarHBondContact O-N 3.35Å; L75-T79 PolarHBondContact O-OG1 3.03Å; L75-I99 HydrophobicContact CD2-CG2 4.2Å; L75-F101 HydrophobicContact CD2-CE1 3.85Å; L75-F101 HydrophobicContact CD2-CZ 4.47Å; L75-V130 HydrophobicContact CD2-CB 4.39Å; L75-V130 HydrophobicContact CD2-CG1 4.41Å; L75-V130 HydrophobicContact CG-CG1 4.49Å; L75-I164 HydrophobicContact CB-CD1 4.17Å; L75-V166 HydrophobicContact CD1-CG1 3.8Å
76	C	96.2	Very high	96	Very high	16 Å²	16	43 Å²	43	11%	0.108	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-48.3	175.2	-86.7	0	0	0	0	112.5	A72 N73 L78 T79 I80 C96 I99	A72-C76 WeakPolarHBondContact O-CB 3.47Å; A72-C76 PolarHBondContact O-N 3.1Å; N73-C76 PolarHBondContact O-N 2.86Å; C76-L78 VanDerWaalsContact C-N 3.33Å; C76-L78 PolarHBondContact O-N 3.17Å; C76-T79 PolarHBondContact O-N 3.46Å; C76-I80 WeakPolarHBondContact O-CB 3.49Å; C76-I80 WeakPolarHBondContact O-CG1 3.35Å; C76-I80 PolarHBondContact O-N 3.17Å; C76-C96 WeakPolarHBondContact CA-SG 3.37Å; C76-C96 HydrophobicContact CB-CB 3.66Å; C76-C96 WeakPolarHBondContact CB-SG 3.32Å; C76-C96 WeakPolarHBondContact SG-CB 3.32Å; C76-C96 CovalentContact SG-SG 2.03Å; C76-C96 PolarHBondContact SG-SG 2.9Å; C76-I99 VanDerWaalsContact SG-CD1 3.51Å
77	N	95.4	Very high	95.9	Very high	58 Å²	58	40 Å²	40	31%	0.31	21%	0.209	S	C	.	.	H	α-helix	trans	-61.1	-45.1	178.9	-71	-19.3	0	0	0	110.6	N73 N74 T79 I80 E81 L162	N73-N77 PolarHBondContact ND2-ND2 3.42Å; N73-N77 WeakPolarHBondContact O-CB 3.45Å; N73-N77 PolarHBondContact O-N 3.01Å; N73-N77 PolarHBondContact O-ND2 2.69Å; N73-N77 PolarHBondContact OD1-ND2 2.99Å; N74-N77 PolarHBondContact O-N 3.38Å; N77-T79 VanDerWaalsContact C-N 3.31Å; N77-T79 PolarHBondContact O-N 3.32Å; N77-I80 PolarHBondContact O-N 3.49Å; N77-E81 VanDerWaalsContact O-CB 3.22Å; N77-E81 WeakPolarHBondContact O-CB 3.35Å; N77-E81 VanDerWaalsContact O-CG 3.29Å; N77-E81 WeakPolarHBondContact O-CG 3.39Å; N77-E81 PolarHBondContact O-N 3.26Å; N77-L162 HydrophobicContact CB-CD1 4.41Å; N77-L162 HydrophobicContact CB-CD2 4.49Å
78	L	95.2	Very high	95.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-56.5	-48.1	174.8	-175.5	158.6	0	0	0	110.8	N74 C76 S82 Y155 L158 L162 I164 V166	N74-L78 VanDerWaalsContact O-CB 3.24Å; N74-L78 WeakPolarHBondContact O-CB 3.44Å; N74-L78 PolarHBondContact O-N 2.99Å; C76-L78 VanDerWaalsContact C-N 3.33Å; C76-L78 PolarHBondContact O-N 3.17Å; L78-S82 WeakPolarHBondContact O-CB 3.17Å; L78-S82 PolarHBondContact O-N 2.91Å; L78-S82 PolarHBondContact O-OG 2.65Å; L78-Y155 HydrophobicContact CD1-CE2 3.87Å; L78-Y155 HydrophobicContact CD2-CD2 3.88Å; L78-Y155 HydrophobicContact CD2-CE2 3.97Å; L78-Y155 HydrophobicContact CG-CD2 4.22Å; L78-Y155 HydrophobicContact CG-CE2 4.06Å; L78-L158 HydrophobicContact CG-CD2 4.12Å; L78-L162 VanDerWaalsContact CA-CD1 3.47Å; L78-L162 HydrophobicContact CB-CD1 3.65Å; L78-L162 HydrophobicContact CG-CD1 4.34Å; L78-I164 HydrophobicContact CD1-CD1 4.09Å; L78-I164 HydrophobicContact CD1-CG1 3.87Å; L78-V166 HydrophobicContact CD1-CG1 4.27Å; L78-V166 HydrophobicContact CD1-CG2 4.26Å; L78-V166 HydrophobicContact CD2-CG1 4.46Å; L78-V166 HydrophobicContact CD2-CG2 3.63Å
79	T	96	Very high	95.4	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.025	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-45.9	-177	-56	0	0	0	0	111.5	I41 L75 C76 N77 S83 I132 L151	I41-T79 HydrophobicContact CD1-CG2 3.57Å; L75-T79 WeakPolarHBondContact O-CB 3.43Å; L75-T79 PolarHBondContact O-N 3.35Å; L75-T79 PolarHBondContact O-OG1 3.03Å; C76-T79 PolarHBondContact O-N 3.46Å; N77-T79 VanDerWaalsContact C-N 3.31Å; N77-T79 PolarHBondContact O-N 3.32Å; T79-S83 VanDerWaalsContact O-CB 3.24Å; T79-S83 WeakPolarHBondContact O-CB 3.08Å; T79-S83 PolarHBondContact O-N 2.94Å; T79-S83 PolarHBondContact O-OG 2.87Å; T79-I132 HydrophobicContact CG2-CD1 4.11Å; T79-L151 HydrophobicContact CG2-CD1 4.18Å; T79-L151 WeakPolarHBondContact O-CD1 3.08Å
80	I	96	Very high	95	Very high	44 Å²	44	41.7 Å²	41.7	23%	0.226	22%	0.224	C	C	.	.	H	α-helix	trans	-70.2	-46.5	-179.3	-67.1	-65.4	0	0	0	111.4	C76 N77 S83 Y84 A94 C96 I132	C76-I80 WeakPolarHBondContact O-CB 3.49Å; C76-I80 WeakPolarHBondContact O-CG1 3.35Å; C76-I80 PolarHBondContact O-N 3.17Å; N77-I80 PolarHBondContact O-N 3.49Å; I80-S83 PolarHBondContact O-N 3.46Å; I80-Y84 VanDerWaalsContact O-CB 3.3Å; I80-Y84 WeakPolarHBondContact O-CB 3.32Å; I80-Y84 PolarHBondContact O-N 3.49Å; I80-A94 HydrophobicContact CD1-CB 3.72Å; I80-A94 WeakPolarHBondContact CD1-O 3.37Å; I80-C96 HydrophobicContact CD1-CB 4.11Å; I80-C96 HydrophobicContact CG1-CB 3.88Å; I80-I132 HydrophobicContact CD1-CD1 3.9Å; I80-I132 HydrophobicContact CD1-CG1 4.28Å
81	E	95.2	Very high	94.9	Very high	87 Å²	87	38.4 Å²	38.4	41%	0.407	20%	0.204	S	C	.	.	H	α-helix	trans	-65.7	-41.8	179.1	-70.1	-174.9	172.7	0	0	111.3	N77 S83 Y84 L85 L158	N77-E81 VanDerWaalsContact O-CB 3.22Å; N77-E81 WeakPolarHBondContact O-CB 3.35Å; N77-E81 VanDerWaalsContact O-CG 3.29Å; N77-E81 WeakPolarHBondContact O-CG 3.39Å; N77-E81 PolarHBondContact O-N 3.26Å; E81-S83 VanDerWaalsContact C-N 3.34Å; E81-S83 PolarHBondContact O-N 2.83Å; E81-Y84 PolarHBondContact O-N 2.8Å; E81-L85 WeakPolarHBondContact O-CB 3.3Å; E81-L85 VanDerWaalsContact O-CG 3.29Å; E81-L85 WeakPolarHBondContact O-CG 3.46Å; E81-L85 PolarHBondContact O-N 2.84Å; E81-L158 HydrophobicContact CB-CD1 3.7Å; E81-L158 WeakPolarHBondContact OE2-CD1 3.49Å
82	S	95.8	Very high	94.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-41.5	174.3	-58.5	0	0	0	0	111.2	L78 G86 G154 Y155	L78-S82 WeakPolarHBondContact O-CB 3.17Å; L78-S82 PolarHBondContact O-N 2.91Å; L78-S82 PolarHBondContact O-OG 2.65Å; S82-G86 PolarHBondContact O-N 2.89Å; S82-G154 VanDerWaalsContact O-CA 3.22Å; S82-G154 WeakPolarHBondContact O-CA 3.48Å; S82-Y155 WeakPolarHBondContact OG-CA 3.22Å
83	S	95.5	Very high	94.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-46.6	175.9	-62.1	0	0	0	0	111.2	T79 I80 E81 G86 D87 T91 I150 L151	T79-S83 VanDerWaalsContact O-CB 3.24Å; T79-S83 WeakPolarHBondContact O-CB 3.08Å; T79-S83 PolarHBondContact O-N 2.94Å; T79-S83 PolarHBondContact O-OG 2.87Å; I80-S83 PolarHBondContact O-N 3.46Å; E81-S83 VanDerWaalsContact C-N 3.34Å; E81-S83 PolarHBondContact O-N 2.83Å; S83-G86 PolarHBondContact O-N 3.05Å; S83-G86 VanDerWaalsContact O-N 3.17Å; S83-D87 PolarHBondContact O-N 2.83Å; S83-T91 PolarHBondContact O-OG1 3.34Å; S83-T91 VanDerWaalsContact O-OG1 3.12Å; S83-I150 VanDerWaalsContact O-CG2 3.27Å; S83-I150 WeakPolarHBondContact O-CG2 3.24Å; S83-L151 WeakPolarHBondContact OG-CD1 3.29Å
84	Y	95.9	Very high	94.2	Very high	113 Å²	113	45.9 Å²	45.9	44%	0.443	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-42	179.6	-175	-98	0	0	0	113.4	I80 E81 G86 D87 P88 T91	I80-Y84 VanDerWaalsContact O-CB 3.3Å; I80-Y84 WeakPolarHBondContact O-CB 3.32Å; I80-Y84 PolarHBondContact O-N 3.49Å; E81-Y84 PolarHBondContact O-N 2.8Å; Y84-G86 VanDerWaalsContact C-N 3.27Å; Y84-G86 PolarHBondContact O-N 3.42Å; Y84-D87 CarbonylContact O-C 3.53Å; Y84-P88 HydrophobicContact CD2-CB 4.22Å; Y84-P88 HydrophobicContact CE1-CB 4.4Å; Y84-P88 HydrophobicContact CE2-CB 3.83Å; Y84-P88 VanDerWaalsContact O-CA 3.29Å; Y84-P88 WeakPolarHBondContact O-CA 3.47Å; Y84-P88 WeakPolarHBondContact O-CD 3.48Å; Y84-P88 WeakPolarHBondContact O-CG 3.46Å; Y84-T91 WeakPolarHBondContact CA-OG1 3.45Å; Y84-T91 PolarHBondContact N-OG1 2.81Å
85	L	96	Very high	94.2	Very high	66 Å²	66	49.6 Å²	49.6	35%	0.346	25%	0.253	S	S	.	.	H	α-helix	trans	-69.9	-26	175.4	-69.4	173.4	0	0	0	112.6	E81 Q157 L158	E81-L85 WeakPolarHBondContact O-CB 3.3Å; E81-L85 VanDerWaalsContact O-CG 3.29Å; E81-L85 WeakPolarHBondContact O-CG 3.46Å; E81-L85 PolarHBondContact O-N 2.84Å; L85-Q157 HydrophobicContact CB-CB 4.49Å; L85-Q157 HydrophobicContact CD1-CB 4.35Å; L85-Q157 PolarHBondContact O-NE2 3.27Å; L85-L158 HydrophobicContact CD1-CB 4.37Å; L85-L158 HydrophobicContact CD1-CD1 3.82Å
86	G	95.8	Very high	94.3	Very high	25 Å²	25	51.1 Å²	51.1	26%	0.258	26%	0.263	S	S	.	.	H	α-helix	trans	-73.3	-48.2	175.7	0	0	0	0	0	113	S82 S83 Y84 I150	S82-G86 PolarHBondContact O-N 2.89Å; S83-G86 PolarHBondContact O-N 3.05Å; S83-G86 VanDerWaalsContact O-N 3.17Å; Y84-G86 VanDerWaalsContact C-N 3.27Å; Y84-G86 PolarHBondContact O-N 3.42Å; G86-I150 VanDerWaalsContact CA-O 3.28Å; G86-I150 WeakPolarHBondContact CA-O 3.34Å
87	D	94.6	Very high	94.2	Very high	42 Å²	42	53.4 Å²	53.4	23%	0.225	27%	0.271	C	S	.	.			trans	-150.6	93	175.5	-169.3	-36.1	0	0	0	111.1	S83 Y84 I89 I90 T91 I150	S83-D87 PolarHBondContact O-N 2.83Å; Y84-D87 CarbonylContact O-C 3.53Å; D87-I89 PolarHBondContact O-N 3.28Å; D87-I89 VanDerWaalsContact O-N 3.1Å; D87-I89 WeakPolarHBondContact OD1-CB 3.41Å; D87-I89 PolarHBondContact OD1-N 2.83Å; D87-I90 HydrophobicContact CB-CB 4.41Å; D87-I90 PolarHBondContact O-N 3.4Å; D87-I90 PolarHBondContact OD1-N 2.86Å; D87-I90 WeakPolarHBondContact OD2-CD1 3.46Å; D87-I90 WeakPolarHBondContact OD2-CG1 3.31Å; D87-T91 PolarHBondContact O-N 2.93Å; D87-T91 PolarHBondContact O-OG1 3.47Å; D87-I150 HydrophobicContact CB-CD1 3.9Å; D87-I150 HydrophobicContact CB-CG1 3.93Å; D87-I150 HydrophobicContact CB-CG2 4.04Å
88	P	93.2	Very high	94.2	Very high	60 Å²	60	55.5 Å²	55.5	39%	0.39	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.8	-178.4	-20.4	27.5	0	0	0	114.2	Y84 K92	Y84-P88 HydrophobicContact CD2-CB 4.22Å; Y84-P88 HydrophobicContact CE1-CB 4.4Å; Y84-P88 HydrophobicContact CE2-CB 3.83Å; Y84-P88 VanDerWaalsContact O-CA 3.29Å; Y84-P88 WeakPolarHBondContact O-CA 3.47Å; Y84-P88 WeakPolarHBondContact O-CD 3.48Å; Y84-P88 WeakPolarHBondContact O-CG 3.46Å; P88-K92 VanDerWaalsContact O-CB 3.31Å; P88-K92 WeakPolarHBondContact O-CB 3.13Å; P88-K92 PolarHBondContact O-N 3.48Å
89	I	90.8	Very high	94.3	Very high	134 Å²	134	56.7 Å²	56.7	69%	0.687	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-45.9	-175.5	-59.9	177.2	0	0	0	109.5	D87	D87-I89 PolarHBondContact O-N 3.28Å; D87-I89 VanDerWaalsContact O-N 3.1Å; D87-I89 WeakPolarHBondContact OD1-CB 3.41Å; D87-I89 PolarHBondContact OD1-N 2.83Å
90	I	88.4	Confident	94.3	Very high	19 Å²	19	60.8 Å²	60.8	10%	0.097	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-35.5	-175.1	-62	178.7	0	0	0	110.9	D87 L134 S136 I142	D87-I90 HydrophobicContact CB-CB 4.41Å; D87-I90 PolarHBondContact O-N 3.4Å; D87-I90 PolarHBondContact OD1-N 2.86Å; D87-I90 WeakPolarHBondContact OD2-CD1 3.46Å; D87-I90 WeakPolarHBondContact OD2-CG1 3.31Å; I90-L134 HydrophobicContact CG2-CD1 4.31Å; I90-S136 WeakPolarHBondContact O-CB 3.43Å; I90-I142 HydrophobicContact CD1-CD1 3.68Å; I90-I142 HydrophobicContact CG2-CD1 3.83Å; I90-I142 HydrophobicContact CG2-CG1 3.82Å
91	T	92.1	Very high	94.4	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	30%	0.3	C	S	.	.	S	Bend	trans	-107.8	9.6	-170.1	75.8	0	0	0	0	113.4	S83 Y84 D87 N93 A94 L134 I150	S83-T91 PolarHBondContact O-OG1 3.34Å; S83-T91 VanDerWaalsContact O-OG1 3.12Å; Y84-T91 WeakPolarHBondContact CA-OG1 3.45Å; Y84-T91 PolarHBondContact N-OG1 2.81Å; D87-T91 PolarHBondContact O-N 2.93Å; D87-T91 PolarHBondContact O-OG1 3.47Å; T91-N93 PolarHBondContact O-N 2.65Å; T91-N93 VanDerWaalsContact O-N 3.1Å; T91-A94 VanDerWaalsContact O-CB 3.22Å; T91-A94 WeakPolarHBondContact O-CB 3.02Å; T91-A94 PolarHBondContact O-N 3.06Å; T91-L134 HydrophobicContact CG2-CD2 4.02Å; T91-I150 HydrophobicContact CG2-CG2 4.06Å
92	K	90.9	Very high	94.4	Very high	149 Å²	149	58.4 Å²	58.4	65%	0.648	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-41.6	-179.7	-172.2	174.2	174.9	179	0	113.9	P88	P88-K92 VanDerWaalsContact O-CB 3.31Å; P88-K92 WeakPolarHBondContact O-CB 3.13Å; P88-K92 PolarHBondContact O-N 3.48Å
93	N	91.5	Very high	94.2	Very high	92 Å²	92	61.7 Å²	61.7	49%	0.492	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	22.7	-176.5	-57.5	-41.3	0	0	0	111.6	T91 I135	T91-N93 PolarHBondContact O-N 2.65Å; T91-N93 VanDerWaalsContact O-N 3.1Å; N93-I135 HydrophobicContact CB-CB 4.14Å
94	A	93.2	Very high	93.9	Very high	15 Å²	15	64.8 Å²	64.8	12%	0.124	33%	0.334	C	S	.	.			trans	-61.9	142	-179.9	0	0	0	0	0	110.5	I80 T91 I132 E133 L134	I80-A94 HydrophobicContact CD1-CB 3.72Å; I80-A94 WeakPolarHBondContact CD1-O 3.37Å; T91-A94 VanDerWaalsContact O-CB 3.22Å; T91-A94 WeakPolarHBondContact O-CB 3.02Å; T91-A94 PolarHBondContact O-N 3.06Å; A94-I132 HydrophobicContact CB-CD1 4.03Å; A94-I132 HydrophobicContact CB-CG1 4.16Å; A94-E133 CarbonylContact C-O 3.57Å; A94-E133 WeakPolarHBondContact CA-O 3.4Å; A94-L134 HydrophobicContact CB-CD2 3.86Å
95	K	95.4	Very high	93.3	Very high	111 Å²	111	64.4 Å²	64.4	48%	0.483	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.4	176.2	-60.8	-175.5	-160.8	137.3	0	110.3	I132 E133 I135	K95-I132 CarbonylContact O-C 3.53Å; K95-I132 VanDerWaalsContact O-CA 3.24Å; K95-I132 WeakPolarHBondContact O-CA 3.32Å; K95-E133 HydrophobicContact CB-CB 4.42Å; K95-E133 WeakPolarHBondContact CD-OE2 3.45Å; K95-E133 PolarHBondContact N-O 3.38Å; K95-E133 IonicContact NZ-OE2 3.05Å; K95-E133 PolarHBondContact NZ-OE2 3.5Å; K95-E133 PolarHBondContact O-N 2.88Å; K95-I135 HydrophobicContact CD-CD1 4.35Å; K95-I135 VanDerWaalsContact CE-CD1 3.49Å; K95-I135 HydrophobicContact CG-CD1 4.45Å
96	C	96.4	Very high	92	Very high	32 Å²	32	62.7 Å²	62.7	22%	0.216	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.3	173.4	-175.7	0	0	0	0	109.6	C76 I80 V130 N131	C76-C96 WeakPolarHBondContact CA-SG 3.37Å; C76-C96 HydrophobicContact CB-CB 3.66Å; C76-C96 WeakPolarHBondContact CB-SG 3.32Å; C76-C96 WeakPolarHBondContact SG-CB 3.32Å; C76-C96 CovalentContact SG-SG 2.03Å; C76-C96 PolarHBondContact SG-SG 2.9Å; I80-C96 HydrophobicContact CD1-CB 4.11Å; I80-C96 HydrophobicContact CG1-CB 3.88Å; C96-V130 WeakPolarHBondContact SG-CG2 3.46Å; C96-N131 WeakPolarHBondContact CA-O 3.24Å
97	F	95.3	Very high	90.4	Very high	64 Å²	64	66.4 Å²	66.4	28%	0.281	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	174.5	-178.2	65.2	-75.9	0	0	0	111.3	I99 N131 E133	F97-I99 VanDerWaalsContact C-N 3.35Å; F97-I99 PolarHBondContact O-N 2.98Å; F97-N131 HydrophobicContact CD1-CB 4.04Å; F97-N131 WeakPolarHBondContact CD1-O 3.29Å; F97-N131 HydrophobicContact CD2-CB 3.94Å; F97-N131 HydrophobicContact CE1-CB 3.72Å; F97-N131 HydrophobicContact CE2-CB 3.63Å; F97-N131 HydrophobicContact CG-CB 4.13Å; F97-N131 HydrophobicContact CZ-CB 3.51Å; F97-N131 PolarHBondContact N-O 2.85Å; F97-N131 WeakPolarHBondContact O-CA 3.36Å; F97-N131 WeakPolarHBondContact O-CB 3.45Å; F97-N131 PolarHBondContact O-N 3.35Å; F97-E133 HydrophobicContact CD1-CB 4.43Å; F97-E133 HydrophobicContact CE1-CB 3.65Å; F97-E133 HydrophobicContact CZ-CB 4.43Å
98	N	94.7	Very high	88.2	Confident	103 Å²	103	71 Å²	71	55%	0.551	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.5	51.6	177.4	-68.3	-8.3	0	0	0	114.1	N131	N98-N131 HydrophobicContact CB-CB 4.18Å; N98-N131 WeakPolarHBondContact CB-OD1 3.39Å
99	I	97.2	Very high	85.9	Confident	29 Å²	29	75.8 Å²	75.8	15%	0.149	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.7	174.9	-50.1	92	0	0	0	108.5	Y68 A72 L75 C76 F97 F101 N129 V130	Y68-I99 PolarHBondContact OH-O 3.15Å; A72-I99 HydrophobicContact CB-CB 4.23Å; A72-I99 HydrophobicContact CB-CG1 4.38Å; A72-I99 HydrophobicContact CB-CG2 4.03Å; L75-I99 HydrophobicContact CD2-CG2 4.2Å; C76-I99 VanDerWaalsContact SG-CD1 3.51Å; F97-I99 VanDerWaalsContact C-N 3.35Å; F97-I99 PolarHBondContact O-N 2.98Å; I99-F101 HydrophobicContact CG2-CE1 4.04Å; I99-F101 HydrophobicContact CG2-CE2 4.15Å; I99-F101 HydrophobicContact CG2-CZ 3.7Å; I99-N129 CarbonylContact C-O 3.55Å; I99-N129 VanDerWaalsContact CA-O 3.31Å; I99-N129 WeakPolarHBondContact CA-O 3.22Å; I99-V130 HydrophobicContact CG1-CB 4.48Å; I99-V130 HydrophobicContact CG1-CG2 3.97Å
100	I	96.5	Very high	83.7	Confident	90 Å²	90	77 Å²	77	46%	0.462	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	131	173.9	-60.1	175.5	0	0	0	107.8	L102 N129	I100-L102 HydrophobicContact CG2-CD2 4.06Å; I100-L102 HydrophobicContact CG2-CG 4.19Å; I100-N129 HydrophobicContact CB-CB 4.35Å; I100-N129 PolarHBondContact N-O 3.36Å; I100-N129 PolarHBondContact O-N 3.48Å
101	F	97.6	Very high	81.6	Confident	9 Å²	9	81 Å²	81	4%	0.039	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.6	171	-60.4	-59.3	0	0	0	110.2	I45 W56 L60 Y68 L71 A72 L75 I99 V126 Q127	I45-F101 HydrophobicContact CD1-CD1 4.06Å; I45-F101 HydrophobicContact CD1-CE1 3.72Å; W56-F101 HydrophobicContact CH2-CB 4.27Å; W56-F101 WeakPolarHBondContact CH2-O 3.35Å; W56-F101 HydrophobicContact CZ3-CB 3.84Å; L60-F101 HydrophobicContact CB-CB 4.2Å; L60-F101 HydrophobicContact CB-CD2 4.36Å; L60-F101 HydrophobicContact CD2-CD2 4.23Å; Y68-F101 AromaticContact CD2-CD2 3.57Å; Y68-F101 HydrophobicContact CD2-CD2 3.57Å; Y68-F101 AromaticContact CD2-CE2 3.83Å; Y68-F101 HydrophobicContact CD2-CE2 3.83Å; Y68-F101 AromaticContact CE2-CD2 3.62Å; Y68-F101 HydrophobicContact CE2-CD2 3.62Å; Y68-F101 AromaticContact CE2-CE2 3.88Å; Y68-F101 HydrophobicContact CE2-CE2 3.88Å; Y68-F101 HydrophobicContact CG-CD2 4.49Å; Y68-F101 HydrophobicContact CG-CE2 4.39Å; L71-F101 HydrophobicContact CB-CE2 4Å; L71-F101 HydrophobicContact CB-CZ 3.83Å; L71-F101 HydrophobicContact CD2-CD1 4.1Å; L71-F101 HydrophobicContact CD2-CD2 4.35Å; L71-F101 HydrophobicContact CD2-CE1 3.83Å; L71-F101 HydrophobicContact CD2-CE2 4.08Å; L71-F101 HydrophobicContact CD2-CG 4.37Å; L71-F101 HydrophobicContact CD2-CZ 3.82Å; L71-F101 HydrophobicContact CG-CE1 3.79Å; L71-F101 HydrophobicContact CG-CE2 4.04Å; L71-F101 HydrophobicContact CG-CZ 3.5Å; L71-F101 VanDerWaalsContact CG-CZ 3.5Å; A72-F101 HydrophobicContact CB-CE2 4.08Å; A72-F101 HydrophobicContact CB-CZ 4.14Å; L75-F101 HydrophobicContact CD2-CE1 3.85Å; L75-F101 HydrophobicContact CD2-CZ 4.47Å; I99-F101 HydrophobicContact CG2-CE1 4.04Å; I99-F101 HydrophobicContact CG2-CE2 4.15Å; I99-F101 HydrophobicContact CG2-CZ 3.7Å; F101-V126 HydrophobicContact CB-CG1 4.05Å; F101-V126 HydrophobicContact CD1-CG1 3.7Å; F101-V126 HydrophobicContact CG-CG1 4.14Å; F101-Q127 WeakPolarHBondContact CA-O 3.49Å
102	L	94.8	Very high	79.1	Confident	72 Å²	72	92.5 Å²	92.5	38%	0.377	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.7	175.5	-62.1	174.9	0	0	0	110.4	W56 I100 F104 Q127	W56-L102 WeakPolarHBondContact CZ3-O 3.17Å; I100-L102 HydrophobicContact CG2-CD2 4.06Å; I100-L102 HydrophobicContact CG2-CG 4.19Å; L102-F104 PolarHBondContact O-N 2.99Å; L102-Q127 HydrophobicContact CB-CB 4.49Å; L102-Q127 PolarHBondContact N-O 3.4Å; L102-Q127 PolarHBondContact O-N 2.91Å
103	P	93	Very high	76.8	Confident	69 Å²	69	89.8 Å²	89.8	45%	0.448	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.7	170.3	25.8	-31.2	0	0	0	109.4	W56 T124	W56-P103 HydrophobicContact CD2-CB 3.84Å; W56-P103 HydrophobicContact CE3-CB 4.09Å; W56-P103 HydrophobicContact CG-CB 4.12Å; W56-P103 HydrophobicContact CZ2-CG 4.43Å; W56-P103 VanDerWaalsContact CZ3-N 3.31Å; P103-T124 HydrophobicContact CB-CG2 3.25Å
104	F	88.7	Confident	74.6	Confident	64 Å²	64	92.8 Å²	92.8	28%	0.281	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.6	175.4	179.8	-103.4	0	0	0	109.8	I44 L102 I106 T124 G125 Q127	I44-F104 HydrophobicContact CD1-CB 4.11Å; I44-F104 HydrophobicContact CD1-CD1 3.89Å; I44-F104 HydrophobicContact CD1-CD2 3.52Å; I44-F104 HydrophobicContact CD1-CE1 4.17Å; I44-F104 HydrophobicContact CD1-CE2 3.83Å; I44-F104 HydrophobicContact CD1-CG 3.55Å; I44-F104 HydrophobicContact CD1-CZ 4.15Å; I44-F104 HydrophobicContact CG1-CD1 4.41Å; I44-F104 HydrophobicContact CG1-CE1 4.35Å; I44-F104 HydrophobicContact CG1-CZ 4.41Å; I44-F104 HydrophobicContact CG2-CD1 4.28Å; L102-F104 PolarHBondContact O-N 2.99Å; F104-I106 HydrophobicContact CD1-CG1 4.02Å; F104-I106 HydrophobicContact CE1-CG1 4.33Å; F104-I106 PolarHBondContact O-N 2.86Å; F104-T124 CarbonylContact O-C 3.47Å; F104-T124 WeakPolarHBondContact O-CA 3.45Å; F104-G125 PolarHBondContact N-O 2.84Å; F104-G125 PolarHBondContact O-N 2.74Å; F104-Q127 HydrophobicContact CB-CB 4.25Å
105	D	83.7	Confident	72.4	Confident	106 Å²	106	95.5 Å²	95.5	57%	0.567	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	113.6	-177.8	-72.4	-27.4	0	0	0	111.4	T107	D105-T107 VanDerWaalsContact C-N 3.25Å; D105-T107 PolarHBondContact O-N 2.83Å
106	I	69.2	Low	70.2	Confident	30 Å²	30	98.8 Å²	98.8	15%	0.154	52%	0.515	C	S	.	.			trans	-88.6	71.8	177.9	-49.3	157.4	0	0	0	107.5	Y53 F104 N108 I123	Y53-I106 HydrophobicContact CD1-CD1 3.46Å; Y53-I106 VanDerWaalsContact CD1-CD1 3.46Å; Y53-I106 HydrophobicContact CD1-CG1 4Å; Y53-I106 HydrophobicContact CD2-CD1 3.39Å; Y53-I106 HydrophobicContact CD2-CG1 4.34Å; Y53-I106 HydrophobicContact CE1-CD1 3.78Å; Y53-I106 HydrophobicContact CE1-CG1 3.85Å; Y53-I106 HydrophobicContact CE2-CD1 3.73Å; Y53-I106 HydrophobicContact CE2-CG1 4.22Å; Y53-I106 HydrophobicContact CE2-CG2 3.82Å; Y53-I106 HydrophobicContact CG-CD1 3.23Å; Y53-I106 HydrophobicContact CG-CG1 4.23Å; F104-I106 HydrophobicContact CD1-CG1 4.02Å; F104-I106 HydrophobicContact CE1-CG1 4.33Å; F104-I106 PolarHBondContact O-N 2.86Å; I106-N108 PolarHBondContact O-N 2.86Å; I106-I123 WeakPolarHBondContact CB-O 3.33Å; I106-I123 HydrophobicContact CD1-CB 4.08Å; I106-I123 HydrophobicContact CD1-CG2 3.89Å; I106-I123 WeakPolarHBondContact CD1-O 3.41Å; I106-I123 WeakPolarHBondContact CG1-O 3.45Å; I106-I123 PolarHBondContact N-O 2.91Å
107	T	60.6	Low	67.8	Low	102 Å²	102	104.3 Å²	104.3	63%	0.626	54%	0.538	S	S	*	.			trans	-79.7	108.3	171.5	42.4	0	0	0	0	109.2	D105 Q109	D105-T107 VanDerWaalsContact C-N 3.25Å; D105-T107 PolarHBondContact O-N 2.83Å; T107-Q109 PolarHBondContact O-N 2.03Å
108	N	48.3	Very low	65.6	Low	138 Å²	138	107.9 Å²	107.9	74%	0.738	56%	0.559	S	S	*	*	S	Bend	trans	68.7	15.2	156.4	-79.6	-24.9	0	0	0	121.7	I106	I106-N108 PolarHBondContact O-N 2.86Å
109	Q	46.5	Very low	63.3	Low	161 Å²	161	108.9 Å²	108.9	75%	0.752	56%	0.564	S	S	*	*	S	Bend	trans	-82.5	-19.2	177	-135.4	174.6	-3	0	0	115.8	T107	T107-Q109 PolarHBondContact O-N 2.03Å
110	Q	43.9	Very low	61.1	Low	159 Å²	159	113 Å²	113	74%	0.743	59%	0.587	S	S	*	*	S	Bend	trans	-154.1	4.8	-172.8	-112.9	151.4	-1.6	0	0	120.3	R112	Q110-R112 PolarHBondContact O-N 2.71Å
111	L	45	Very low	58.9	Low	104 Å²	104	113 Å²	113	55%	0.545	59%	0.59	S	S	.	*			trans	-77.7	70.7	169.5	-70.6	173.2	0	0	0	110.6	T113	L111-T113 HydrophobicContact CD2-CG2 4.14Å; L111-T113 PolarHBondContact O-N 2.78Å
112	R	38.7	Very low	57.2	Low	244 Å²	244	117.1 Å²	117.1	92%	0.921	62%	0.617	S	S	*	*			trans	-85.2	61.9	152.8	-76.1	-173.9	172.3	172.6	-1.2	108	Q110	Q110-R112 PolarHBondContact O-N 2.71Å
113	T	42.6	Very low	55.8	Low	92 Å²	92	117.1 Å²	117.1	56%	0.564	62%	0.616	S	S	*	*			trans	-79.8	130	165.8	38.8	0	0	0	0	108.1	L111 S115	L111-T113 HydrophobicContact CD2-CG2 4.14Å; L111-T113 PolarHBondContact O-N 2.78Å; T113-S115 PolarHBondContact O-N 2.93Å
114	T	44.8	Very low	55.4	Low	155 Å²	155	115.6 Å²	115.6	95%	0.951	61%	0.605	S	S	*	*	S	Bend	trans	-69.6	33.1	-163.8	25	0	0	0	0	116.2
115	S	48.5	Very low	55.5	Low	72 Å²	72	112.5 Å²	112.5	50%	0.503	59%	0.592	S	S	.	*	S	Bend	trans	-131.6	130.7	177.1	49.9	0	0	0	0	109.4	T113 E117	T113-S115 PolarHBondContact O-N 2.93Å; S115-E117 PolarHBondContact O-N 3.38Å
116	N	47.8	Very low	56	Low	179 Å²	179	107.5 Å²	107.5	96%	0.957	57%	0.565	S	S	*	*	S	Bend	trans	-64.4	17.9	-179	-76.2	-23.8	0	0	0	114.8
117	E	47	Very low	57.3	Low	149 Å²	149	107.9 Å²	107.9	70%	0.696	57%	0.566	S	S	*	*			trans	-102.7	101.9	168	-79	177.2	159.1	0	0	107.4	S115 D119	S115-E117 PolarHBondContact O-N 3.38Å; E117-D119 PolarHBondContact O-N 3.46Å
118	I	47.7	Very low	59	Low	138 Å²	138	103 Å²	103	71%	0.708	54%	0.537	S	S	*	.			trans	-73.9	74.8	166.9	-54.2	169.7	0	0	0	105.9	N120	I118-N120 VanDerWaalsContact C-N 3.27Å; I118-N120 WeakPolarHBondContact CG2-OD1 3.34Å; I118-N120 PolarHBondContact O-N 3.18Å
119	D	47.4	Very low	61.4	Low	125 Å²	125	97.4 Å²	97.4	67%	0.668	51%	0.507	S	S	*	.			trans	-66.4	102.2	156.1	-83.2	-18	0	0	0	105	E117 V121	E117-D119 PolarHBondContact O-N 3.46Å; D119-V121 HydrophobicContact CB-CG2 4.07Å; D119-V121 PolarHBondContact O-N 2.92Å
120	N	49.9	Very low	63.8	Low	116 Å²	116	89.8 Å²	89.8	62%	0.62	47%	0.471	S	S	*	.			trans	-65.2	68.5	170.3	-81.4	-27.9	0	0	0	108.3	I118 T122	I118-N120 VanDerWaalsContact C-N 3.27Å; I118-N120 WeakPolarHBondContact CG2-OD1 3.34Å; I118-N120 PolarHBondContact O-N 3.18Å; N120-T122 VanDerWaalsContact C-N 3.28Å; N120-T122 PolarHBondContact O-N 3.5Å
121	V	52	Low	66.3	Low	89 Å²	89	82.7 Å²	82.7	54%	0.539	44%	0.438	S	S	.	.			trans	-72.8	94.1	168.3	-175.1	0	0	0	0	105.5	D119 I123	D119-V121 HydrophobicContact CB-CG2 4.07Å; D119-V121 PolarHBondContact O-N 2.92Å; V121-I123 VanDerWaalsContact C-N 3.32Å; V121-I123 HydrophobicContact CG1-CG1 4.08Å; V121-I123 PolarHBondContact O-N 2.88Å
122	T	60.3	Low	68.7	Low	96 Å²	96	77.7 Å²	77.7	59%	0.589	41%	0.412	S	S	*	.			trans	-68.4	96	168.8	51.9	0	0	0	0	107.2	N120	N120-T122 VanDerWaalsContact C-N 3.28Å; N120-T122 PolarHBondContact O-N 3.5Å
123	I	66.3	Low	71.3	Confident	71 Å²	71	68.1 Å²	68.1	36%	0.364	38%	0.377	S	S	.	.			trans	-75.8	126	166.2	-59.4	169.1	0	0	0	106.1	I106 V121	I106-I123 WeakPolarHBondContact CB-O 3.33Å; I106-I123 HydrophobicContact CD1-CB 4.08Å; I106-I123 HydrophobicContact CD1-CG2 3.89Å; I106-I123 WeakPolarHBondContact CD1-O 3.41Å; I106-I123 WeakPolarHBondContact CG1-O 3.45Å; I106-I123 PolarHBondContact N-O 2.91Å; V121-I123 VanDerWaalsContact C-N 3.32Å; V121-I123 HydrophobicContact CG1-CG1 4.08Å; V121-I123 PolarHBondContact O-N 2.88Å
124	T	83.5	Confident	73.6	Confident	37 Å²	37	63.7 Å²	63.7	23%	0.227	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114	170	-52.8	0	0	0	0	107.7	W56 P103 F104	W56-T124 HydrophobicContact CB-CG2 3.74Å; W56-T124 WeakPolarHBondContact CB-O 3.27Å; W56-T124 HydrophobicContact CG-CG2 4.1Å; W56-T124 PolarHBondContact N-O 3.42Å; P103-T124 HydrophobicContact CB-CG2 3.25Å; F104-T124 CarbonylContact O-C 3.47Å; F104-T124 WeakPolarHBondContact O-CA 3.45Å
125	G	90.8	Very high	75.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-177.7	172.2	0	0	0	0	0	111.8	Y54 F104	Y54-G125 CarbonylContact O-C 3.57Å; Y54-G125 VanDerWaalsContact O-CA 3.3Å; Y54-G125 WeakPolarHBondContact O-CA 3.37Å; F104-G125 PolarHBondContact N-O 2.84Å; F104-G125 PolarHBondContact O-N 2.74Å
126	V	95.2	Very high	77.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.1	174.5	-179.7	0	0	0	0	110	I45 Y54 W56 L60 L71 F101	I45-V126 HydrophobicContact CB-CB 4.4Å; I45-V126 HydrophobicContact CD1-CG1 3.86Å; I45-V126 HydrophobicContact CG1-CG1 4.38Å; I45-V126 PolarHBondContact N-O 3.36Å; Y54-V126 HydrophobicContact CD1-CG2 3.72Å; Y54-V126 HydrophobicContact CG-CG2 4.41Å; Y54-V126 WeakPolarHBondContact O-CG2 3.39Å; Y54-V126 PolarHBondContact O-N 2.97Å; Y54-V126 VanDerWaalsContact O-N 3.08Å; W56-V126 HydrophobicContact CE3-CG2 3.96Å; L60-V126 HydrophobicContact CD1-CG1 4.22Å; L60-V126 HydrophobicContact CD1-CG2 3.51Å; L71-V126 HydrophobicContact CD2-CG1 4.24Å; F101-V126 HydrophobicContact CB-CG1 4.05Å; F101-V126 HydrophobicContact CD1-CG1 3.7Å; F101-V126 HydrophobicContact CG-CG1 4.14Å
127	Q	95.8	Very high	78.7	Confident	39 Å²	39	51.2 Å²	51.2	18%	0.182	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.6	160.7	-176.9	-179.3	-62.5	0	0	109.1	S43 I44 F101 L102 F104 N129	S43-Q127 CarbonylContact O-C 3.42Å; S43-Q127 VanDerWaalsContact O-CA 3.32Å; S43-Q127 WeakPolarHBondContact O-CA 3.36Å; S43-Q127 WeakPolarHBondContact O-CG 3.21Å; I44-Q127 HydrophobicContact CD1-CB 3.79Å; I44-Q127 HydrophobicContact CD1-CG 3.93Å; F101-Q127 WeakPolarHBondContact CA-O 3.49Å; L102-Q127 HydrophobicContact CB-CB 4.49Å; L102-Q127 PolarHBondContact N-O 3.4Å; L102-Q127 PolarHBondContact O-N 2.91Å; F104-Q127 HydrophobicContact CB-CB 4.25Å; Q127-N129 PolarHBondContact NE2-OD1 3.31Å
128	G	97.2	Very high	80.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.2	170.9	0	0	0	0	0	110.9	R42 S43	R42-G128 CarbonylContact C-O 3.55Å; R42-G128 WeakPolarHBondContact CA-O 3.22Å; S43-G128 PolarHBondContact N-O 3.28Å; S43-G128 PolarHBondContact O-N 3.04Å
129	N	97.4	Very high	81.8	Confident	20 Å²	20	40.8 Å²	40.8	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.5	168.9	-67.4	-0.2	0	0	0	108.1	L40 I41 R42 I99 I100 Q127	L40-N129 HydrophobicContact CD1-CB 4.16Å; I41-N129 CarbonylContact O-C 3.56Å; I41-N129 WeakPolarHBondContact O-CA 3.13Å; R42-N129 WeakPolarHBondContact CG-OD1 3.33Å; I99-N129 CarbonylContact C-O 3.55Å; I99-N129 VanDerWaalsContact CA-O 3.31Å; I99-N129 WeakPolarHBondContact CA-O 3.22Å; I100-N129 HydrophobicContact CB-CB 4.35Å; I100-N129 PolarHBondContact N-O 3.36Å; I100-N129 PolarHBondContact O-N 3.48Å; Q127-N129 PolarHBondContact NE2-OD1 3.31Å
130	V	97.2	Very high	83.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.9	-178.4	59	0	0	0	0	110.6	I41 L75 C96 I99	I41-V130 HydrophobicContact CB-CG1 3.89Å; I41-V130 HydrophobicContact CG2-CG1 4.42Å; I41-V130 PolarHBondContact N-O 2.91Å; I41-V130 PolarHBondContact O-N 2.87Å; L75-V130 HydrophobicContact CD2-CB 4.39Å; L75-V130 HydrophobicContact CD2-CG1 4.41Å; L75-V130 HydrophobicContact CG-CG1 4.49Å; C96-V130 WeakPolarHBondContact SG-CG2 3.46Å; I99-V130 HydrophobicContact CG1-CB 4.48Å; I99-V130 HydrophobicContact CG1-CG2 3.97Å
131	N	96.4	Very high	84.9	Confident	10 Å²	10	38.9 Å²	38.9	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.8	172.4	-69.2	104.8	0	0	0	110.8	F39 C96 F97 N98 E174	F39-N131 CarbonylContact O-C 3.58Å; F39-N131 VanDerWaalsContact O-CA 3.27Å; F39-N131 WeakPolarHBondContact O-CA 3.36Å; F39-N131 PolarHBondContact O-ND2 3.46Å; C96-N131 WeakPolarHBondContact CA-O 3.24Å; F97-N131 HydrophobicContact CD1-CB 4.04Å; F97-N131 WeakPolarHBondContact CD1-O 3.29Å; F97-N131 HydrophobicContact CD2-CB 3.94Å; F97-N131 HydrophobicContact CE1-CB 3.72Å; F97-N131 HydrophobicContact CE2-CB 3.63Å; F97-N131 HydrophobicContact CG-CB 4.13Å; F97-N131 HydrophobicContact CZ-CB 3.51Å; F97-N131 PolarHBondContact N-O 2.85Å; F97-N131 WeakPolarHBondContact O-CA 3.36Å; F97-N131 WeakPolarHBondContact O-CB 3.45Å; F97-N131 PolarHBondContact O-N 3.35Å; N98-N131 HydrophobicContact CB-CB 4.18Å; N98-N131 WeakPolarHBondContact CB-OD1 3.39Å; N131-E174 PolarHBondContact ND2-OE1 3.2Å; N131-E174 PolarHBondContact ND2-OE2 3.03Å
132	I	95.5	Very high	86.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.4	170.2	-169.7	164.6	0	0	0	109.8	S38 F39 I41 T79 I80 A94 K95 L134 L147	S38-I132 CarbonylContact C-O 3.53Å; S38-I132 WeakPolarHBondContact CA-O 3.5Å; F39-I132 HydrophobicContact CB-CG2 3.89Å; F39-I132 HydrophobicContact CD2-CG2 4.47Å; F39-I132 PolarHBondContact N-O 2.93Å; F39-I132 PolarHBondContact O-N 3.02Å; I41-I132 HydrophobicContact CD1-CB 4.27Å; I41-I132 HydrophobicContact CD1-CG2 3.62Å; I41-I132 HydrophobicContact CG1-CG2 4.2Å; T79-I132 HydrophobicContact CG2-CD1 4.11Å; I80-I132 HydrophobicContact CD1-CD1 3.9Å; I80-I132 HydrophobicContact CD1-CG1 4.28Å; A94-I132 HydrophobicContact CB-CD1 4.03Å; A94-I132 HydrophobicContact CB-CG1 4.16Å; K95-I132 CarbonylContact O-C 3.53Å; K95-I132 VanDerWaalsContact O-CA 3.24Å; K95-I132 WeakPolarHBondContact O-CA 3.32Å; I132-L134 HydrophobicContact CD1-CD2 4.18Å; I132-L134 HydrophobicContact CG1-CD2 4.13Å; I132-L147 HydrophobicContact CG2-CD2 3.92Å
133	E	93.4	Very high	88.2	Confident	42 Å²	42	33.8 Å²	33.8	20%	0.196	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.1	171.4	172.4	-178.3	-106.5	0	0	107.8	A37 A94 K95 F97 I135	A37-E133 WeakPolarHBondContact O-CA 3.21Å; A94-E133 CarbonylContact C-O 3.57Å; A94-E133 WeakPolarHBondContact CA-O 3.4Å; K95-E133 HydrophobicContact CB-CB 4.42Å; K95-E133 WeakPolarHBondContact CD-OE2 3.45Å; K95-E133 PolarHBondContact N-O 3.38Å; K95-E133 IonicContact NZ-OE2 3.05Å; K95-E133 PolarHBondContact NZ-OE2 3.5Å; K95-E133 PolarHBondContact O-N 2.88Å; F97-E133 HydrophobicContact CD1-CB 4.43Å; F97-E133 HydrophobicContact CE1-CB 3.65Å; F97-E133 HydrophobicContact CZ-CB 4.43Å; E133-I135 HydrophobicContact CG-CD1 4.45Å; E133-I135 HydrophobicContact CG-CG1 3.94Å
134	L	91.8	Very high	89.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.5	171.8	-55	-176.9	0	0	0	108.9	T36 A37 F39 I90 T91 A94 I132 A139 I142 L147	T36-L134 VanDerWaalsContact CA-O 3.32Å; T36-L134 WeakPolarHBondContact CA-O 3.42Å; A37-L134 PolarHBondContact N-O 3.04Å; A37-L134 VanDerWaalsContact N-O 3.12Å; A37-L134 PolarHBondContact O-N 2.91Å; F39-L134 HydrophobicContact CD2-CD1 4.37Å; F39-L134 HydrophobicContact CD2-CG 4.48Å; F39-L134 HydrophobicContact CE2-CD1 3.85Å; F39-L134 HydrophobicContact CE2-CG 4.32Å; I90-L134 HydrophobicContact CG2-CD1 4.31Å; T91-L134 HydrophobicContact CG2-CD2 4.02Å; A94-L134 HydrophobicContact CB-CD2 3.86Å; I132-L134 HydrophobicContact CD1-CD2 4.18Å; I132-L134 HydrophobicContact CG1-CD2 4.13Å; L134-A139 HydrophobicContact CB-CB 4.08Å; L134-I142 HydrophobicContact CD1-CB 4.23Å; L134-I142 HydrophobicContact CD1-CG1 4.19Å; L134-I142 HydrophobicContact CD1-CG2 3.93Å; L134-L147 HydrophobicContact CD1-CD1 4.26Å
135	I	87.3	Confident	90.1	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.195	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	94	179.8	-51.4	174.4	0	0	0	108	A34 T36 N93 K95 E133	A34-I135 HydrophobicContact CB-CG2 3.82Å; T36-I135 HydrophobicContact CG2-CG1 4.49Å; N93-I135 HydrophobicContact CB-CB 4.14Å; K95-I135 HydrophobicContact CD-CD1 4.35Å; K95-I135 VanDerWaalsContact CE-CD1 3.49Å; K95-I135 HydrophobicContact CG-CD1 4.45Å; E133-I135 HydrophobicContact CG-CD1 4.45Å; E133-I135 HydrophobicContact CG-CG1 3.94Å
136	S	82	Confident	90.3	Very high	13 Å²	13	38.8 Å²	38.8	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153.6	-176.6	-176.8	0	0	0	0	110.7	G35 I90 N138 A139	G35-S136 CarbonylContact C-O 3.56Å; G35-S136 WeakPolarHBondContact CA-O 3.4Å; G35-S136 PolarHBondContact N-O 2.93Å; G35-S136 PolarHBondContact O-N 2.87Å; G35-S136 VanDerWaalsContact O-N 3.08Å; I90-S136 WeakPolarHBondContact O-CB 3.43Å; S136-N138 PolarHBondContact O-N 2.81Å; S136-A139 VanDerWaalsContact O-CB 3.27Å; S136-A139 WeakPolarHBondContact O-CB 3.35Å; S136-A139 PolarHBondContact O-N 3.44Å
137	I	78.4	Confident	90.4	Very high	93 Å²	93	38.8 Å²	38.8	48%	0.477	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27	173.7	61.3	173.3	0	0	0	112.6	T32	T32-I137 HydrophobicContact CG2-CG2 4.29Å
138	N	80.8	Confident	90.5	Very high	68 Å²	68	41.5 Å²	41.5	36%	0.364	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	3.7	-179.7	-63.9	-28.9	0	0	0	113.3	S136 S140 F141	S136-N138 PolarHBondContact O-N 2.81Å; N138-S140 VanDerWaalsContact C-N 3.26Å; N138-S140 PolarHBondContact O-N 3.48Å; N138-F141 HydrophobicContact CB-CD2 4.47Å; N138-F141 PolarHBondContact O-N 3.28Å
139	A	78.4	Confident	90.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60.8	-36.4	-173.7	0	0	0	0	0	112.1	G35 A37 L134 S136 F141 I142	G35-A139 VanDerWaalsContact O-CB 3.25Å; G35-A139 WeakPolarHBondContact O-CB 3.21Å; A37-A139 HydrophobicContact CB-CB 4.14Å; A37-A139 WeakPolarHBondContact CB-O 3.47Å; L134-A139 HydrophobicContact CB-CB 4.08Å; S136-A139 VanDerWaalsContact O-CB 3.27Å; S136-A139 WeakPolarHBondContact O-CB 3.35Å; S136-A139 PolarHBondContact O-N 3.44Å; A139-F141 PolarHBondContact O-N 3.3Å; A139-I142 WeakPolarHBondContact O-CB 3.35Å; A139-I142 WeakPolarHBondContact O-CG1 3.33Å; A139-I142 PolarHBondContact O-N 2.95Å
140	S	78	Confident	90.4	Very high	57 Å²	57	45.1 Å²	45.1	40%	0.399	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63.7	-20	177	51.2	0	0	0	0	114.2	N138	N138-S140 VanDerWaalsContact C-N 3.26Å; N138-S140 PolarHBondContact O-N 3.48Å
141	F	84.8	Confident	90.4	Very high	143 Å²	143	45.3 Å²	45.3	63%	0.627	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-91.6	-5.2	176	-58.9	-70.9	0	0	0	113	N138 A139	N138-F141 HydrophobicContact CB-CD2 4.47Å; N138-F141 PolarHBondContact O-N 3.28Å; A139-F141 PolarHBondContact O-N 3.3Å
142	I	89.9	Confident	90.4	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.051	24%	0.242	C	C	.	.			trans	-79.9	128.1	176.9	-52	-57.1	0	0	0	108.3	F39 I90 L134 A139 I146 L147	F39-I142 HydrophobicContact CE2-CG2 4.21Å; F39-I142 HydrophobicContact CZ-CB 4.14Å; F39-I142 HydrophobicContact CZ-CG2 3.82Å; F39-I142 WeakPolarHBondContact CZ-O 3.33Å; I90-I142 HydrophobicContact CD1-CD1 3.68Å; I90-I142 HydrophobicContact CG2-CD1 3.83Å; I90-I142 HydrophobicContact CG2-CG1 3.82Å; L134-I142 HydrophobicContact CD1-CB 4.23Å; L134-I142 HydrophobicContact CD1-CG1 4.19Å; L134-I142 HydrophobicContact CD1-CG2 3.93Å; A139-I142 WeakPolarHBondContact O-CB 3.35Å; A139-I142 WeakPolarHBondContact O-CG1 3.33Å; A139-I142 PolarHBondContact O-N 2.95Å; I142-I146 HydrophobicContact CD1-CG2 3.81Å; I142-I146 HydrophobicContact CG2-CB 4.24Å; I142-I146 HydrophobicContact CG2-CG2 4.14Å; I142-L147 HydrophobicContact CG2-CB 3.96Å
143	N	92	Very high	90.4	Very high	69 Å²	69	50.7 Å²	50.7	37%	0.369	26%	0.264	S	S	.	.			trans	-113.3	178.7	168	64.8	32.3	0	0	0	109.8	S145 I146 L147	N143-S145 VanDerWaalsContact C-N 3.29Å; N143-S145 PolarHBondContact O-N 3.36Å; N143-S145 PolarHBondContact OD1-N 2.89Å; N143-S145 VanDerWaalsContact OD1-N 3.16Å; N143-I146 PolarHBondContact O-N 3.05Å; N143-I146 WeakPolarHBondContact OD1-CG1 3.19Å; N143-I146 PolarHBondContact OD1-N 3.08Å; N143-L147 PolarHBondContact O-N 2.79Å
144	E	94.5	Very high	90.5	Very high	71 Å²	71	48.7 Å²	48.7	33%	0.332	26%	0.255	S	S	.	.	H	α-helix	trans	-58.9	-39.7	-175.9	-60	91.8	154.8	0	0	112.4	F39 Y148 I171 H173	F39-E144 HydrophobicContact CD1-CG 4.39Å; F39-E144 HydrophobicContact CE1-CG 4.43Å; E144-Y148 VanDerWaalsContact O-CB 3.23Å; E144-Y148 WeakPolarHBondContact O-CB 3.43Å; E144-Y148 PolarHBondContact O-N 2.87Å; E144-I171 HydrophobicContact CB-CB 4.32Å; E144-I171 HydrophobicContact CB-CG2 4.17Å; E144-I171 HydrophobicContact CG-CG2 4.25Å; E144-I171 WeakPolarHBondContact CG-O 3.39Å; E144-H173 VanDerWaalsContact CD-CB 3.48Å; E144-H173 HydrophobicContact CG-CB 4.01Å; E144-H173 VanDerWaalsContact CG-N 3.32Å; E144-H173 WeakPolarHBondContact OE1-CB 3.39Å; E144-H173 PolarHBondContact OE1-N 2.92Å
145	S	95.9	Very high	90.7	Very high	75 Å²	75	50 Å²	50	52%	0.524	26%	0.26	S	S	.	.	H	α-helix	trans	-69.2	-39.8	-179.5	-179.1	0	0	0	0	112.2	N143 Y148 N149	N143-S145 VanDerWaalsContact C-N 3.29Å; N143-S145 PolarHBondContact O-N 3.36Å; N143-S145 PolarHBondContact OD1-N 2.89Å; N143-S145 VanDerWaalsContact OD1-N 3.16Å; S145-Y148 PolarHBondContact O-N 2.99Å; S145-N149 PolarHBondContact O-N 3.28Å; S145-N149 VanDerWaalsContact O-N 3.11Å; S145-N149 PolarHBondContact O-ND2 3.28Å
146	I	95.1	Very high	90.9	Very high	67 Å²	67	53.7 Å²	53.7	34%	0.344	28%	0.28	S	S	.	.	H	α-helix	trans	-65.2	-48.7	176.6	-65.8	167.9	0	0	0	109.6	I142 N143 Y148 N149 I150	I142-I146 HydrophobicContact CD1-CG2 3.81Å; I142-I146 HydrophobicContact CG2-CB 4.24Å; I142-I146 HydrophobicContact CG2-CG2 4.14Å; N143-I146 PolarHBondContact O-N 3.05Å; N143-I146 WeakPolarHBondContact OD1-CG1 3.19Å; N143-I146 PolarHBondContact OD1-N 3.08Å; I146-Y148 VanDerWaalsContact C-N 3.31Å; I146-Y148 PolarHBondContact O-N 3.3Å; I146-N149 PolarHBondContact O-N 3.29Å; I146-I150 HydrophobicContact CG2-CD1 3.9Å; I146-I150 WeakPolarHBondContact O-CG1 3.23Å; I146-I150 PolarHBondContact O-N 2.78Å
147	L	95.9	Very high	91.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-38.9	178.6	-178.4	57.5	0	0	0	111.9	F39 I132 L134 I142 N143 N149 I150 L151 I171	F39-L147 HydrophobicContact CB-CD2 3.65Å; F39-L147 HydrophobicContact CD1-CD2 3.83Å; F39-L147 HydrophobicContact CD2-CD2 3.46Å; F39-L147 VanDerWaalsContact CD2-CD2 3.46Å; F39-L147 HydrophobicContact CE1-CD2 4.33Å; F39-L147 HydrophobicContact CE2-CD2 4.01Å; F39-L147 HydrophobicContact CG-CD2 3.36Å; F39-L147 HydrophobicContact CZ-CD2 4.41Å; I132-L147 HydrophobicContact CG2-CD2 3.92Å; L134-L147 HydrophobicContact CD1-CD1 4.26Å; I142-L147 HydrophobicContact CG2-CB 3.96Å; N143-L147 PolarHBondContact O-N 2.79Å; L147-N149 VanDerWaalsContact C-N 3.33Å; L147-N149 PolarHBondContact O-N 2.94Å; L147-I150 PolarHBondContact O-N 2.86Å; L147-L151 WeakPolarHBondContact O-CB 3.3Å; L147-L151 PolarHBondContact O-N 3.47Å; L147-I171 HydrophobicContact CB-CD1 4.33Å; L147-I171 HydrophobicContact CD2-CD1 4.31Å; L147-I171 HydrophobicContact CD2-CG2 3.99Å; L147-I171 HydrophobicContact CG-CD1 3.95Å
148	Y	97.9	Very high	91.9	Very high	95 Å²	95	55.3 Å²	55.3	37%	0.373	29%	0.285	S	S	.	.	H	α-helix	trans	-58.5	-46.6	175.9	178.6	-89.5	0	0	0	111.3	E144 S145 I146 L151 V152 I169 I171	E144-Y148 VanDerWaalsContact O-CB 3.23Å; E144-Y148 WeakPolarHBondContact O-CB 3.43Å; E144-Y148 PolarHBondContact O-N 2.87Å; S145-Y148 PolarHBondContact O-N 2.99Å; I146-Y148 VanDerWaalsContact C-N 3.31Å; I146-Y148 PolarHBondContact O-N 3.3Å; Y148-L151 PolarHBondContact O-N 3.37Å; Y148-V152 HydrophobicContact CD1-CG2 4.2Å; Y148-V152 HydrophobicContact CD2-CG2 4.4Å; Y148-V152 HydrophobicContact CE1-CG2 3.79Å; Y148-V152 HydrophobicContact CE2-CG2 4.03Å; Y148-V152 HydrophobicContact CG-CG2 4.48Å; Y148-V152 WeakPolarHBondContact O-CB 3.43Å; Y148-V152 WeakPolarHBondContact O-CG2 3.46Å; Y148-V152 PolarHBondContact O-N 2.97Å; Y148-I169 HydrophobicContact CD2-CG2 4.29Å; Y148-I169 HydrophobicContact CE2-CB 4.12Å; Y148-I169 HydrophobicContact CE2-CG2 4.35Å; Y148-I171 HydrophobicContact CD2-CD1 4.41Å
149	N	97.8	Very high	91.9	Very high	83 Å²	83	58 Å²	58	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-42.1	178.4	-72.2	-27.7	0	0	0	112	S145 I146 L147 N153	S145-N149 PolarHBondContact O-N 3.28Å; S145-N149 VanDerWaalsContact O-N 3.11Å; S145-N149 PolarHBondContact O-ND2 3.28Å; I146-N149 PolarHBondContact O-N 3.29Å; L147-N149 VanDerWaalsContact C-N 3.33Å; L147-N149 PolarHBondContact O-N 2.94Å; N149-N153 WeakPolarHBondContact O-CB 3.34Å; N149-N153 PolarHBondContact O-N 3.13Å; N149-N153 PolarHBondContact O-ND2 3.02Å; N149-N153 VanDerWaalsContact O-ND2 3.17Å
150	I	95.9	Very high	91.6	Very high	13 Å²	13	63.1 Å²	63.1	7%	0.067	32%	0.322	C	S	.	.	H	α-helix	trans	-56.4	-54	173.8	-70.6	170.4	0	0	0	109.5	S83 G86 D87 T91 I146 L147 V152 N153 G154	S83-I150 VanDerWaalsContact O-CG2 3.27Å; S83-I150 WeakPolarHBondContact O-CG2 3.24Å; G86-I150 VanDerWaalsContact CA-O 3.28Å; G86-I150 WeakPolarHBondContact CA-O 3.34Å; D87-I150 HydrophobicContact CB-CD1 3.9Å; D87-I150 HydrophobicContact CB-CG1 3.93Å; D87-I150 HydrophobicContact CB-CG2 4.04Å; T91-I150 HydrophobicContact CG2-CG2 4.06Å; I146-I150 HydrophobicContact CG2-CD1 3.9Å; I146-I150 WeakPolarHBondContact O-CG1 3.23Å; I146-I150 PolarHBondContact O-N 2.78Å; L147-I150 PolarHBondContact O-N 2.86Å; I150-V152 PolarHBondContact O-N 3.1Å; I150-N153 PolarHBondContact O-N 2.92Å; I150-G154 PolarHBondContact O-N 3.03Å
151	L	96.8	Very high	91.5	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-47.9	-176.1	-173.4	71.3	0	0	0	111.8	I41 T79 S83 L147 Y148 G154 Y155 I169 I171	I41-L151 HydrophobicContact CD1-CD2 4.19Å; I41-L151 HydrophobicContact CG2-CD2 4.29Å; T79-L151 HydrophobicContact CG2-CD1 4.18Å; T79-L151 WeakPolarHBondContact O-CD1 3.08Å; S83-L151 WeakPolarHBondContact OG-CD1 3.29Å; L147-L151 WeakPolarHBondContact O-CB 3.3Å; L147-L151 PolarHBondContact O-N 3.47Å; Y148-L151 PolarHBondContact O-N 3.37Å; L151-G154 PolarHBondContact O-N 2.79Å; L151-Y155 WeakPolarHBondContact O-CB 3.37Å; L151-Y155 PolarHBondContact O-N 3.44Å; L151-I169 HydrophobicContact CD2-CD1 4.13Å; L151-I169 HydrophobicContact CD2-CG2 3.92Å; L151-I171 HydrophobicContact CD2-CD1 4.28Å
152	V	95.9	Very high	91	Very high	33 Å²	33	59.2 Å²	59.2	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-40.8	-179.5	171.6	0	0	0	0	111.6	Y148 I150 G154 Y155 N156	Y148-V152 HydrophobicContact CD1-CG2 4.2Å; Y148-V152 HydrophobicContact CD2-CG2 4.4Å; Y148-V152 HydrophobicContact CE1-CG2 3.79Å; Y148-V152 HydrophobicContact CE2-CG2 4.03Å; Y148-V152 HydrophobicContact CG-CG2 4.48Å; Y148-V152 WeakPolarHBondContact O-CB 3.43Å; Y148-V152 WeakPolarHBondContact O-CG2 3.46Å; Y148-V152 PolarHBondContact O-N 2.97Å; I150-V152 PolarHBondContact O-N 3.1Å; V152-G154 PolarHBondContact O-N 3.22Å; V152-Y155 PolarHBondContact O-N 3.09Å; V152-N156 WeakPolarHBondContact O-CB 3.42Å; V152-N156 VanDerWaalsContact O-CG 3.24Å; V152-N156 PolarHBondContact O-N 3.34Å; V152-N156 PolarHBondContact O-ND2 2.97Å; V152-N156 VanDerWaalsContact O-ND2 3.15Å
153	N	96.3	Very high	90.7	Very high	89 Å²	89	64.7 Å²	64.7	48%	0.476	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-42.4	178	-74.9	-20	0	0	0	111.9	N149 I150 Q157	N149-N153 WeakPolarHBondContact O-CB 3.34Å; N149-N153 PolarHBondContact O-N 3.13Å; N149-N153 PolarHBondContact O-ND2 3.02Å; N149-N153 VanDerWaalsContact O-ND2 3.17Å; I150-N153 PolarHBondContact O-N 2.92Å; N153-Q157 WeakPolarHBondContact O-CG 3.35Å; N153-Q157 PolarHBondContact O-N 3.22Å; N153-Q157 PolarHBondContact O-NE2 3Å
154	G	96	Very high	90.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-76	-32.6	175.9	0	0	0	0	0	113.2	S82 I150 L151 V152 N156 Q157 L158	S82-G154 VanDerWaalsContact O-CA 3.22Å; S82-G154 WeakPolarHBondContact O-CA 3.48Å; I150-G154 PolarHBondContact O-N 3.03Å; L151-G154 PolarHBondContact O-N 2.79Å; V152-G154 PolarHBondContact O-N 3.22Å; G154-N156 VanDerWaalsContact C-N 3.26Å; G154-N156 PolarHBondContact O-N 3.49Å; G154-Q157 CarbonylContact O-C 3.59Å; G154-Q157 WeakPolarHBondContact O-CA 3.44Å; G154-Q157 WeakPolarHBondContact O-CB 3.39Å; G154-Q157 PolarHBondContact O-N 3.14Å; G154-L158 PolarHBondContact O-N 2.67Å
155	Y	94.3	Very high	90.6	Very high	27 Å²	27	59.4 Å²	59.4	11%	0.106	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-38.1	172.8	-177.1	-109.1	0	0	0	111.9	L78 S82 L151 V152 Q157 L158 F165 V166	L78-Y155 HydrophobicContact CD1-CE2 3.87Å; L78-Y155 HydrophobicContact CD2-CD2 3.88Å; L78-Y155 HydrophobicContact CD2-CE2 3.97Å; L78-Y155 HydrophobicContact CG-CD2 4.22Å; L78-Y155 HydrophobicContact CG-CE2 4.06Å; S82-Y155 WeakPolarHBondContact OG-CA 3.22Å; L151-Y155 WeakPolarHBondContact O-CB 3.37Å; L151-Y155 PolarHBondContact O-N 3.44Å; V152-Y155 PolarHBondContact O-N 3.09Å; Y155-Q157 VanDerWaalsContact C-N 3.26Å; Y155-Q157 PolarHBondContact O-N 3Å; Y155-L158 HydrophobicContact CD2-CD2 4.36Å; Y155-L158 WeakPolarHBondContact O-CB 3.2Å; Y155-L158 PolarHBondContact O-N 3.46Å; Y155-F165 WeakPolarHBondContact OH-CA 3.41Å; Y155-F165 WeakPolarHBondContact OH-CD1 3.42Å; Y155-V166 HydrophobicContact CD2-CG2 4.45Å; Y155-V166 HydrophobicContact CE2-CG2 4.04Å; Y155-V166 PolarHBondContact OH-N 3.46Å
156	N	92.8	Very high	90.5	Very high	116 Å²	116	56.1 Å²	56.1	62%	0.62	29%	0.285	S	S	*	.	H	α-helix	trans	-69.5	-21.7	174.9	-71.5	-30	0	0	0	113.7	V152 G154	V152-N156 WeakPolarHBondContact O-CB 3.42Å; V152-N156 VanDerWaalsContact O-CG 3.24Å; V152-N156 PolarHBondContact O-N 3.34Å; V152-N156 PolarHBondContact O-ND2 2.97Å; V152-N156 VanDerWaalsContact O-ND2 3.15Å; G154-N156 VanDerWaalsContact C-N 3.26Å; G154-N156 PolarHBondContact O-N 3.49Å
157	Q	92.2	Very high	90.3	Very high	123 Å²	123	56.8 Å²	56.8	58%	0.575	29%	0.288	S	S	*	.	H	α-helix	trans	-90.7	-17.9	174.7	-67.4	173.2	76.6	0	0	112.7	L85 N153 G154 Y155 N159	L85-Q157 HydrophobicContact CB-CB 4.49Å; L85-Q157 HydrophobicContact CD1-CB 4.35Å; L85-Q157 PolarHBondContact O-NE2 3.27Å; N153-Q157 WeakPolarHBondContact O-CG 3.35Å; N153-Q157 PolarHBondContact O-N 3.22Å; N153-Q157 PolarHBondContact O-NE2 3Å; G154-Q157 CarbonylContact O-C 3.59Å; G154-Q157 WeakPolarHBondContact O-CA 3.44Å; G154-Q157 WeakPolarHBondContact O-CB 3.39Å; G154-Q157 PolarHBondContact O-N 3.14Å; Y155-Q157 VanDerWaalsContact C-N 3.26Å; Y155-Q157 PolarHBondContact O-N 3Å; Q157-N159 PolarHBondContact O-N 2.97Å
158	L	89.7	Confident	90	Very high	17 Å²	17	61.8 Å²	61.8	9%	0.089	32%	0.315	C	S	.	.	S	Bend	trans	-64.1	134.1	-174.3	-168.2	70.4	0	0	0	110.7	L78 E81 L85 G154 Y155 K160 L162	L78-L158 HydrophobicContact CG-CD2 4.12Å; E81-L158 HydrophobicContact CB-CD1 3.7Å; E81-L158 WeakPolarHBondContact OE2-CD1 3.49Å; L85-L158 HydrophobicContact CD1-CB 4.37Å; L85-L158 HydrophobicContact CD1-CD1 3.82Å; G154-L158 PolarHBondContact O-N 2.67Å; Y155-L158 HydrophobicContact CD2-CD2 4.36Å; Y155-L158 WeakPolarHBondContact O-CB 3.2Å; Y155-L158 PolarHBondContact O-N 3.46Å; L158-K160 PolarHBondContact O-N 3.33Å; L158-L162 HydrophobicContact CD2-CD1 4Å
159	N	79.7	Confident	89.9	Confident	124 Å²	124	58.4 Å²	58.4	66%	0.663	30%	0.303	S	S	*	.			trans	-71.8	120.9	167.8	-163.1	-1.3	0	0	0	108.5	Q157 T161	Q157-N159 PolarHBondContact O-N 2.97Å; N159-T161 PolarHBondContact O-N 2.97Å; N159-T161 PolarHBondContact O-OG1 2.96Å
160	K	72.4	Confident	89.8	Confident	108 Å²	108	58.4 Å²	58.4	47%	0.47	30%	0.3	S	S	.	.	S	Bend	trans	-76.3	42.7	-166.6	-73.6	171.1	159	-166.3	0	113.7	I49 L158 F165	I49-K160 HydrophobicContact CG2-CD 4.06Å; L158-K160 PolarHBondContact O-N 3.33Å; K160-F165 HydrophobicContact CB-CE1 3.67Å; K160-F165 HydrophobicContact CB-CZ 3.99Å; K160-F165 HydrophobicContact CD-CD1 4.43Å; K160-F165 HydrophobicContact CD-CE1 3.65Å; K160-F165 HydrophobicContact CG-CE1 3.67Å; K160-F165 HydrophobicContact CG-CZ 4.47Å
161	T	76.5	Confident	89.9	Confident	90 Å²	90	58.7 Å²	58.7	55%	0.552	30%	0.301	S	S	*	.			trans	-88.7	-7.3	-175.5	53.5	0	0	0	0	113.9	N159 N163	N159-T161 PolarHBondContact O-N 2.97Å; N159-T161 PolarHBondContact O-OG1 2.96Å; T161-N163 PolarHBondContact O-N 2.87Å; T161-N163 VanDerWaalsContact O-N 3.14Å
162	L	74.2	Confident	89.8	Confident	28 Å²	28	63 Å²	63	15%	0.147	32%	0.318	C	S	.	.	S	Bend	trans	-76.9	7.6	-174.8	-62.4	178.5	0	0	0	114.7	N77 L78 L158 I164	N77-L162 HydrophobicContact CB-CD1 4.41Å; N77-L162 HydrophobicContact CB-CD2 4.49Å; L78-L162 VanDerWaalsContact CA-CD1 3.47Å; L78-L162 HydrophobicContact CB-CD1 3.65Å; L78-L162 HydrophobicContact CG-CD1 4.34Å; L158-L162 HydrophobicContact CD2-CD1 4Å; L162-I164 PolarHBondContact O-N 3.49Å
163	N	82	Confident	89.7	Confident	125 Å²	125	64 Å²	64	67%	0.668	32%	0.321	S	S	*	.	S	Bend	trans	54.3	12.4	179.3	-63.3	-31.8	0	0	0	115.7	T161	T161-N163 PolarHBondContact O-N 2.87Å; T161-N163 VanDerWaalsContact O-N 3.14Å
164	I	91.6	Very high	89.2	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.036	32%	0.315	C	S	.	.			trans	-136.8	152	173.9	65.3	165.3	0	0	0	109.7	I45 Y46 Y54 L71 N74 L75 L78 L162	I45-I164 HydrophobicContact CG2-CB 4.1Å; I45-I164 HydrophobicContact CG2-CG2 4.28Å; Y46-I164 WeakPolarHBondContact O-CA 3.49Å; Y54-I164 HydrophobicContact CD2-CG2 4.45Å; Y54-I164 HydrophobicContact CE2-CG2 4.42Å; L71-I164 HydrophobicContact CD1-CG2 3.79Å; N74-I164 HydrophobicContact CB-CD1 3.75Å; N74-I164 HydrophobicContact CB-CG1 4.11Å; L75-I164 HydrophobicContact CB-CD1 4.17Å; L78-I164 HydrophobicContact CD1-CD1 4.09Å; L78-I164 HydrophobicContact CD1-CG1 3.87Å; L162-I164 PolarHBondContact O-N 3.49Å
165	F	93.2	Very high	87.8	Confident	22 Å²	22	70.9 Å²	70.9	10%	0.096	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.9	175.6	-60.2	-89.5	0	0	0	108.3	I45 Y46 D48 I49 Y155 K160	I45-F165 CarbonylContact C-O 3.56Å; I45-F165 WeakPolarHBondContact CA-O 3.25Å; Y46-F165 PolarHBondContact N-O 3.44Å; Y46-F165 PolarHBondContact O-N 3.24Å; D48-F165 VanDerWaalsContact CA-CE2 3.48Å; I49-F165 HydrophobicContact CB-CE1 4.46Å; I49-F165 HydrophobicContact CG2-CD1 3.58Å; I49-F165 HydrophobicContact CG2-CE1 3.15Å; I49-F165 HydrophobicContact CG2-CE2 4.26Å; I49-F165 HydrophobicContact CG2-CG 4.3Å; I49-F165 HydrophobicContact CG2-CZ 3.54Å; Y155-F165 WeakPolarHBondContact OH-CA 3.41Å; Y155-F165 WeakPolarHBondContact OH-CD1 3.42Å; K160-F165 HydrophobicContact CB-CE1 3.67Å; K160-F165 HydrophobicContact CB-CZ 3.99Å; K160-F165 HydrophobicContact CD-CD1 4.43Å; K160-F165 HydrophobicContact CD-CE1 3.65Å; K160-F165 HydrophobicContact CG-CE1 3.67Å; K160-F165 HydrophobicContact CG-CZ 4.47Å
166	V	93.6	Very high	85.8	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.042	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.3	179.9	-65.9	0	0	0	0	109.3	I44 L75 L78 Y155 I169	I44-V166 WeakPolarHBondContact O-CA 3.43Å; L75-V166 HydrophobicContact CD1-CG1 3.8Å; L78-V166 HydrophobicContact CD1-CG1 4.27Å; L78-V166 HydrophobicContact CD1-CG2 4.26Å; L78-V166 HydrophobicContact CD2-CG1 4.46Å; L78-V166 HydrophobicContact CD2-CG2 3.63Å; Y155-V166 HydrophobicContact CD2-CG2 4.45Å; Y155-V166 HydrophobicContact CE2-CG2 4.04Å; Y155-V166 PolarHBondContact OH-N 3.46Å; V166-I169 HydrophobicContact CG2-CD1 4.11Å; V166-I169 HydrophobicContact CG2-CG1 4.48Å
167	M	90.8	Very high	83.4	Confident	81 Å²	81	74 Å²	74	40%	0.399	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	175.7	172.4	-57.2	-168	-73.5	0	0	109.9	I44 Y46 I169	I44-M167 PolarHBondContact N-O 2.97Å; I44-M167 PolarHBondContact O-N 3.07Å; Y46-M167 HydrophobicContact CD1-CE 3.83Å; Y46-M167 HydrophobicContact CD2-CB 4.24Å; Y46-M167 HydrophobicContact CD2-CE 3.56Å; Y46-M167 HydrophobicContact CD2-CG 4.08Å; Y46-M167 HydrophobicContact CE1-CE 3.49Å; Y46-M167 VanDerWaalsContact CE1-CE 3.49Å; Y46-M167 HydrophobicContact CE2-CB 3.72Å; Y46-M167 HydrophobicContact CE2-CE 3.22Å; Y46-M167 HydrophobicContact CE2-CG 3.97Å; Y46-M167 HydrophobicContact CE2-SD 4.45Å; Y46-M167 HydrophobicContact CG-CE 3.85Å; M167-I169 VanDerWaalsContact C-N 3.27Å; M167-I169 PolarHBondContact O-N 3.29Å
168	N	91.2	Very high	80.5	Confident	105 Å²	105	77.4 Å²	77.4	56%	0.561	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.6	48.8	-177.4	-59.7	1.8	0	0	0	111.5	I44 E170	I44-N168 HydrophobicContact CG1-CB 4.13Å; N168-E170 PolarHBondContact O-N 2.83Å
169	I	94.9	Very high	77.9	Confident	24 Å²	24	84.1 Å²	84.1	12%	0.123	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	125.9	-178.4	-58.4	174.7	0	0	0	108.8	I41 R42 Y148 L151 V166 M167 I171	I41-I169 HydrophobicContact CG2-CG2 3.95Å; R42-I169 CarbonylContact O-C 3.5Å; R42-I169 VanDerWaalsContact O-CA 3.32Å; R42-I169 WeakPolarHBondContact O-CA 3.48Å; Y148-I169 HydrophobicContact CD2-CG2 4.29Å; Y148-I169 HydrophobicContact CE2-CB 4.12Å; Y148-I169 HydrophobicContact CE2-CG2 4.35Å; L151-I169 HydrophobicContact CD2-CD1 4.13Å; L151-I169 HydrophobicContact CD2-CG2 3.92Å; V166-I169 HydrophobicContact CG2-CD1 4.11Å; V166-I169 HydrophobicContact CG2-CG1 4.48Å; M167-I169 VanDerWaalsContact C-N 3.27Å; M167-I169 PolarHBondContact O-N 3.29Å; I169-I171 HydrophobicContact CG2-CD1 4.42Å; I169-I171 HydrophobicContact CG2-CG1 4.08Å
170	E	96.6	Very high	75.8	Confident	83 Å²	83	84 Å²	84	39%	0.388	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.2	171.5	-58.6	178.6	162.2	0	0	109	I41 R42 N168 Y172	I41-E170 CarbonylContact C-O 3.5Å; I41-E170 WeakPolarHBondContact CA-O 3.4Å; R42-E170 HydrophobicContact CB-CB 4.38Å; R42-E170 IonicContact CZ-OE2 2.65Å; R42-E170 VanDerWaalsContact CZ-OE2 3.25Å; R42-E170 PolarHBondContact N-O 3.14Å; R42-E170 IonicContact NE-OE2 3.25Å; R42-E170 PolarHBondContact NE-OE2 3.22Å; R42-E170 IonicContact NH2-OE2 2.79Å; R42-E170 PolarHBondContact NH2-OE2 3.04Å; R42-E170 PolarHBondContact O-N 3.24Å; N168-E170 PolarHBondContact O-N 2.83Å; E170-Y172 HydrophobicContact CB-CE2 3.66Å; E170-Y172 PolarHBondContact OE2-OH 3.28Å
171	I	97.4	Very high	74.3	Confident	18 Å²	18	89.4 Å²	89.4	9%	0.092	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.7	-177.1	-55.8	-169.1	0	0	0	108.4	F39 L40 I41 E144 L147 Y148 L151 I169	F39-I171 HydrophobicContact CB-CG2 4Å; F39-I171 HydrophobicContact CD1-CG2 3.79Å; F39-I171 HydrophobicContact CG-CG2 4.25Å; L40-I171 CarbonylContact O-C 3.55Å; L40-I171 WeakPolarHBondContact O-CA 3.27Å; I41-I171 HydrophobicContact CG1-CD1 4.31Å; I41-I171 HydrophobicContact CG1-CG1 4.16Å; E144-I171 HydrophobicContact CB-CB 4.32Å; E144-I171 HydrophobicContact CB-CG2 4.17Å; E144-I171 HydrophobicContact CG-CG2 4.25Å; E144-I171 WeakPolarHBondContact CG-O 3.39Å; L147-I171 HydrophobicContact CB-CD1 4.33Å; L147-I171 HydrophobicContact CD2-CD1 4.31Å; L147-I171 HydrophobicContact CD2-CG2 3.99Å; L147-I171 HydrophobicContact CG-CD1 3.95Å; Y148-I171 HydrophobicContact CD2-CD1 4.41Å; L151-I171 HydrophobicContact CD2-CD1 4.28Å; I169-I171 HydrophobicContact CG2-CD1 4.42Å; I169-I171 HydrophobicContact CG2-CG1 4.08Å
172	Y	95.5	Very high	72.8	Confident	96 Å²	96	92.8 Å²	92.8	38%	0.376	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.3	178	-58.4	-85.9	0	0	0	108.6	F39 L40 R42 E170 E174	F39-Y172 CarbonylContact C-O 3.49Å; F39-Y172 VanDerWaalsContact CA-O 3.27Å; F39-Y172 WeakPolarHBondContact CA-O 3.43Å; L40-Y172 PolarHBondContact N-O 2.69Å; L40-Y172 PolarHBondContact O-N 3.31Å; R42-Y172 HydrophobicContact CG-CE2 4.27Å; R42-Y172 PolarHBondContact NH2-OH 3.28Å; E170-Y172 HydrophobicContact CB-CE2 3.66Å; E170-Y172 PolarHBondContact OE2-OH 3.28Å; Y172-E174 PolarHBondContact O-N 2.84Å
173	H	92.1	Very high	70.8	Confident	55 Å²	55	95.2 Å²	95.2	26%	0.255	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.5	173.4	-170.5	-62.1	0	0	0	108.9	F39 E144 M175	F39-H173 HydrophobicContact CD1-CB 3.95Å; F39-H173 HydrophobicContact CE1-CB 3.81Å; F39-H173 AromaticContact CE1-CD2 3.31Å; F39-H173 WeakPolarHBondContact CE1-CD2 3.34Å; F39-H173 AromaticContact CE1-CG 3.81Å; F39-H173 AromaticContact CZ-CD2 3.43Å; F39-H173 VanDerWaalsContact CZ-CD2 3.43Å; F39-H173 WeakPolarHBondContact CZ-CD2 3.43Å; E144-H173 VanDerWaalsContact CD-CB 3.48Å; E144-H173 HydrophobicContact CG-CB 4.01Å; E144-H173 VanDerWaalsContact CG-N 3.32Å; E144-H173 WeakPolarHBondContact OE1-CB 3.39Å; E144-H173 PolarHBondContact OE1-N 2.92Å; H173-M175 PolarHBondContact O-N 2.8Å
174	E	85.6	Confident	68.6	Low	76 Å²	76	99.3 Å²	99.3	36%	0.355	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	94.2	172.2	-65.7	-165.9	142.3	0	0	108	S38 L40 N131 Y172 C176	S38-E174 WeakPolarHBondContact O-CB 3.42Å; S38-E174 PolarHBondContact O-N 2.87Å; L40-E174 HydrophobicContact CB-CG 4.3Å; N131-E174 PolarHBondContact ND2-OE1 3.2Å; N131-E174 PolarHBondContact ND2-OE2 3.03Å; Y172-E174 PolarHBondContact O-N 2.84Å; E174-C176 PolarHBondContact O-N 2.7Å
175	M	66.9	Low	66.1	Low	157 Å²	157	102.7 Å²	102.7	77%	0.773	53%	0.53	S	S	*	.			trans	-66.6	131.1	166.9	-63.2	-174.9	-133.6	0	0	108	H173 A177	H173-M175 PolarHBondContact O-N 2.8Å; M175-A177 PolarHBondContact O-N 3Å
176	C	52.4	Low	63.4	Low	115 Å²	115	105 Å²	105	78%	0.777	56%	0.559	S	S	*	*			trans	-50.9	110.7	168.7	-85.6	0	0	0	0	109.2	E174 W178	E174-C176 PolarHBondContact O-N 2.7Å; C176-W178 PolarHBondContact O-N 2.7Å
177	A	42.8	Very low	60.5	Low	92 Å²	92	114.1 Å²	114.1	76%	0.76	60%	0.601	S	S	*	*			trans	-67.5	105.2	168.1	0	0	0	0	0	106.9	M175 I179	M175-A177 PolarHBondContact O-N 3Å; A177-I179 PolarHBondContact O-N 2.9Å
178	W	31.2	Very low	57.9	Low	196 Å²	196	117.5 Å²	117.5	74%	0.742	62%	0.616	S	S	*	*			trans	-42.9	104	176.1	-67.3	80.2	0	0	0	112.1	C176 C185	C176-W178 PolarHBondContact O-N 2.7Å; W178-C185 HydrophobicContact CH2-CB 3.64Å; W178-C185 HydrophobicContact CZ2-CB 4.25Å; W178-C185 HydrophobicContact CZ3-CB 3.85Å
179	I	36.2	Very low	55.2	Low	158 Å²	158	120.9 Å²	120.9	81%	0.81	66%	0.658	S	S	*	*			trans	-109.3	96.1	149.6	-58.4	-178	0	0	0	105.8	A177 R181	A177-I179 PolarHBondContact O-N 2.9Å; I179-R181 PolarHBondContact O-N 2.78Å
180	V	35.6	Very low	53.2	Low	120 Å²	120	125.7 Å²	125.7	73%	0.727	69%	0.685	S	S	*	*			trans	-48.8	107.7	169.8	179.6	0	0	0	0	108.4
181	R	40.4	Very low	50.9	Low	223 Å²	223	127.9 Å²	127.9	84%	0.842	70%	0.7	S	S	*	*	S	Bend	trans	-153.6	-24.6	150.3	-112.6	169.7	-160.1	-120.1	3.1	117	I179	I179-R181 PolarHBondContact O-N 2.78Å
182	D	43.7	Very low	48.3	Very low	161 Å²	161	134.1 Å²	134.1	86%	0.861	73%	0.734	S	S	*	*	S	Bend	trans	-139.8	40.4	-177.3	-79.7	-45.8	0	0	0	116.2	R184	D182-R184 PolarHBondContact O-N 2.85Å; D182-R184 VanDerWaalsContact O-N 3.14Å
183	G	34	Very low	45.5	Very low	79 Å²	79	136.3 Å²	136.3	81%	0.814	76%	0.755	S	S	*	*			trans	71.7	19.2	134.5	0	0	0	0	0	120.6
184	R	34.9	Very low	42.6	Very low	211 Å²	211	141.4 Å²	141.4	80%	0.796	79%	0.787	S	S	*	*			trans	-131.7	88.4	165.3	-64.2	-166.5	-131.7	-166.3	3.2	111.5	E33 D182	E33-R184 IonicContact OE1-NH1 3.82Å; D182-R184 PolarHBondContact O-N 2.85Å; D182-R184 VanDerWaalsContact O-N 3.14Å
185	C	39.9	Very low	39.8	Very low	78 Å²	78	145.7 Å²	145.7	53%	0.527	82%	0.815	S	S	.	*			trans	-129.4	110.1	170.3	-65.4	0	0	0	0	107.6	W178	W178-C185 HydrophobicContact CH2-CB 3.64Å; W178-C185 HydrophobicContact CZ2-CB 4.25Å; W178-C185 HydrophobicContact CZ3-CB 3.85Å
186	G	36.5	Very low	37.8	Very low	69 Å²	69	144.9 Å²	144.9	71%	0.711	82%	0.818	S	S	*	*			trans	72.9	98.7	166.9	0	0	0	0	0	116.4
187	E	32.2	Very low	36.7	Very low	199 Å²	199	147.2 Å²	147.2	93%	0.93	82%	0.822	S	S	*	*			trans	-88.4	86.6	137.8	-89.9	-174.5	161.6	0	0	107.4
188	H	36.8	Very low	36.2	Very low	152 Å²	152	151.8 Å²	151.8	70%	0.704	83%	0.827	S	S	*	*			trans	-106.5	105.8	151.1	-71.3	141.4	0	0	0	105.6
189	A	32.9	Very low	36.6	Very low	176 Å²	176	147.8 Å²	147.8	100%	1.455	83%	0.834	S	S	*	*			trans	-58	0	174.6	0	0	0	0	0	112.5

Retrieved 189 of 189 residues in 35.7 ms (Link to these results)

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