A0A077Z5Q0_TRITR Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A077Z5Q0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 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	30.4	Very low	37.7	Very low	230 Å²	230	137.1 Å²	137.1	100%	1.133	75%	0.752	S	S	*	*				0	128.1	0	-63.6	-178	-169.5	0	0	107.6	V3	M1-V3 PolarHBondContact O-N 3.41Å
2	P	31	Very low	39.6	Very low	126 Å²	126	132.1 Å²	132.1	82%	0.818	74%	0.735	S	S	*	*			trans	-72.5	129.6	172.7	27.7	-24.6	0	0	0	108.6	H4	P2-H4 PolarHBondContact O-N 3.27Å
3	V	34.2	Very low	40.9	Very low	132 Å²	132	129.2 Å²	129.2	80%	0.8	72%	0.717	S	S	*	*			trans	-63.8	115.2	174.2	-177.7	0	0	0	0	106.8	M1 S5	M1-V3 PolarHBondContact O-N 3.41Å; V3-S5 PolarHBondContact O-N 3.16Å
4	H	30.7	Very low	41.9	Very low	169 Å²	169	127.6 Å²	127.6	78%	0.782	70%	0.699	S	S	*	*			trans	-56	122.7	178.3	-110.7	-72.7	0	0	0	109.6	P2 S6	P2-H4 PolarHBondContact O-N 3.27Å; H4-S6 PolarHBondContact O-N 3.19Å
5	S	33.4	Very low	42.9	Very low	120 Å²	120	122.3 Å²	122.3	84%	0.839	67%	0.672	S	S	*	*	S	Bend	trans	-70.3	42.6	-174.1	67	0	0	0	0	114.4	V3	V3-S5 PolarHBondContact O-N 3.16Å
6	S	35	Very low	43.6	Very low	87 Å²	87	122.3 Å²	122.3	61%	0.608	67%	0.666	S	S	*	*			trans	-112.3	41.7	173.1	53.2	0	0	0	0	111.4	H4 K8	H4-S6 PolarHBondContact O-N 3.19Å; S6-K8 PolarHBondContact O-N 3.26Å
7	D	39.9	Very low	44	Very low	141 Å²	141	124.3 Å²	124.3	75%	0.754	66%	0.661	S	S	*	*			trans	-66.6	76.2	150.4	-76.4	-33.9	0	0	0	107.5	L9	D7-L9 PolarHBondContact O-N 2.98Å
8	K	40.1	Very low	44.3	Very low	187 Å²	187	119.6 Å²	119.6	81%	0.813	64%	0.636	S	S	*	*			trans	-57.5	102.7	157.1	-73.6	-176.7	178.9	-178	0	105	S6 L10	S6-K8 PolarHBondContact O-N 3.26Å; K8-L10 PolarHBondContact O-N 3.29Å
9	L	41	Very low	44.3	Very low	162 Å²	162	121.8 Å²	121.8	85%	0.848	63%	0.634	S	S	*	*			trans	-31.5	108.7	172	-72.4	161.1	0	0	0	108.2	D7 T11	D7-L9 PolarHBondContact O-N 2.98Å; L9-T11 PolarHBondContact O-N 3.38Å
10	L	48.5	Very low	44.2	Very low	71 Å²	71	118 Å²	118	37%	0.372	62%	0.618	S	S	.	*			trans	-57.8	112.3	173.9	-83.9	118.1	0	0	0	106	K8 K14 V15 I18 L35	K8-L10 PolarHBondContact O-N 3.29Å; L10-K14 HydrophobicContact CD2-CD 4.21Å; L10-K14 HydrophobicContact CD2-CG 4.26Å; L10-V15 HydrophobicContact CB-CG2 3.73Å; L10-I18 HydrophobicContact CD2-CD1 3.51Å; L10-L35 HydrophobicContact CD1-CD2 4.04Å; L10-L35 HydrophobicContact CD2-CD2 4.45Å
11	T	50.4	Low	44.3	Very low	83 Å²	83	118 Å²	118	51%	0.509	61%	0.611	S	S	.	*			trans	-55.5	148.1	178.3	58.9	0	0	0	0	109.5	L9 D13 K14 V15	L9-T11 PolarHBondContact O-N 3.38Å; T11-D13 PolarHBondContact O-N 3.08Å; T11-D13 VanDerWaalsContact O-N 3.13Å; T11-K14 WeakPolarHBondContact O-CA 2.97Å; T11-K14 WeakPolarHBondContact O-CB 3.32Å; T11-K14 PolarHBondContact O-N 2.98Å; T11-K14 WeakPolarHBondContact OG1-CB 3.38Å; T11-V15 PolarHBondContact O-N 2.93Å
12	S	60.6	Low	44.8	Very low	77 Å²	77	109.6 Å²	109.6	54%	0.538	58%	0.583	S	S	.	*	H	α-helix	trans	-46.1	-44	176.8	47.4	0	0	0	0	111.3	K14 V15 E16	S12-K14 VanDerWaalsContact C-N 3.28Å; S12-K14 PolarHBondContact O-N 3.42Å; S12-V15 CarbonylContact O-C 3.59Å; S12-V15 PolarHBondContact O-N 2.71Å; S12-E16 WeakPolarHBondContact O-CB 3.15Å; S12-E16 WeakPolarHBondContact O-CG 2.98Å; S12-E16 PolarHBondContact O-N 3.3Å
13	D	56.5	Low	45.1	Very low	94 Å²	94	111 Å²	111	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-31.1	178.4	-55.3	-10.3	0	0	0	113.7	T11 R17	T11-D13 PolarHBondContact O-N 3.08Å; T11-D13 VanDerWaalsContact O-N 3.13Å; D13-R17 WeakPolarHBondContact O-CB 3.39Å; D13-R17 PolarHBondContact O-N 3.19Å
14	K	55.4	Low	45.2	Very low	108 Å²	108	114.7 Å²	114.7	47%	0.47	58%	0.582	S	S	.	*	H	α-helix	trans	-78.7	-38.9	177.3	-152.6	174.3	-174.8	-177.9	0	109.9	L10 T11 S12 I18	L10-K14 HydrophobicContact CD2-CD 4.21Å; L10-K14 HydrophobicContact CD2-CG 4.26Å; T11-K14 WeakPolarHBondContact O-CA 2.97Å; T11-K14 WeakPolarHBondContact O-CB 3.32Å; T11-K14 PolarHBondContact O-N 2.98Å; T11-K14 WeakPolarHBondContact OG1-CB 3.38Å; S12-K14 VanDerWaalsContact C-N 3.28Å; S12-K14 PolarHBondContact O-N 3.42Å; K14-I18 WeakPolarHBondContact O-CB 3.37Å; K14-I18 WeakPolarHBondContact O-CD1 3.33Å; K14-I18 WeakPolarHBondContact O-CG1 3.49Å; K14-I18 PolarHBondContact O-N 3.34Å
15	V	56.1	Low	45.5	Very low	48 Å²	48	108.8 Å²	108.8	29%	0.291	57%	0.567	S	S	.	*	H	α-helix	trans	-64.1	-43.2	171.2	178.4	0	0	0	0	110.8	L10 T11 S12 I18 R19	L10-V15 HydrophobicContact CB-CG2 3.73Å; T11-V15 PolarHBondContact O-N 2.93Å; S12-V15 CarbonylContact O-C 3.59Å; S12-V15 PolarHBondContact O-N 2.71Å; V15-I18 CarbonylContact O-C 3.45Å; V15-I18 PolarHBondContact O-N 3.27Å; V15-R19 HydrophobicContact CG1-CG 4.39Å; V15-R19 WeakPolarHBondContact O-CB 3.3Å; V15-R19 WeakPolarHBondContact O-CG 3.32Å; V15-R19 PolarHBondContact O-N 3.15Å
16	E	54.3	Low	45.9	Very low	122 Å²	122	110.2 Å²	110.2	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-67.6	-40.3	176.6	-77.6	-178.8	-179.4	0	0	111.9	S12 R19 S20	S12-E16 WeakPolarHBondContact O-CB 3.15Å; S12-E16 WeakPolarHBondContact O-CG 2.98Å; S12-E16 PolarHBondContact O-N 3.3Å; E16-R19 CarbonylContact O-C 3.59Å; E16-R19 PolarHBondContact O-N 3.43Å; E16-S20 WeakPolarHBondContact O-CB 3.05Å; E16-S20 PolarHBondContact O-N 3.29Å
17	R	51	Low	46.3	Very low	156 Å²	156	109.1 Å²	109.1	59%	0.589	56%	0.557	S	S	*	*	H	α-helix	trans	-60.8	-45.1	168.8	-96.7	-173	-77.7	-146.8	-6	111.8	D13 S20 Y21	D13-R17 WeakPolarHBondContact O-CB 3.39Å; D13-R17 PolarHBondContact O-N 3.19Å; R17-S20 WeakPolarHBondContact CA-OG 3.1Å; R17-S20 WeakPolarHBondContact O-CB 3.44Å; R17-S20 PolarHBondContact O-N 3.45Å; R17-S20 PolarHBondContact O-OG 2.99Å; R17-Y21 WeakPolarHBondContact O-CD2 3.2Å; R17-Y21 PolarHBondContact O-N 3.09Å
18	I	48.5	Very low	46.9	Very low	40 Å²	40	105.5 Å²	105.5	21%	0.205	53%	0.534	C	S	.	.	H	α-helix	trans	-63.6	-41.8	177	-69.9	164.1	0	0	0	111.4	L10 K14 V15 S20 Y21 G22 Y33	L10-I18 HydrophobicContact CD2-CD1 3.51Å; K14-I18 WeakPolarHBondContact O-CB 3.37Å; K14-I18 WeakPolarHBondContact O-CD1 3.33Å; K14-I18 WeakPolarHBondContact O-CG1 3.49Å; K14-I18 PolarHBondContact O-N 3.34Å; V15-I18 CarbonylContact O-C 3.45Å; V15-I18 PolarHBondContact O-N 3.27Å; I18-S20 VanDerWaalsContact C-N 3.33Å; I18-Y21 PolarHBondContact O-N 3.32Å; I18-G22 PolarHBondContact O-N 2.82Å; I18-Y33 HydrophobicContact CD1-CD1 3.82Å; I18-Y33 HydrophobicContact CD1-CE1 4.41Å; I18-Y33 HydrophobicContact CD1-CG 4.09Å; I18-Y33 HydrophobicContact CG1-CD1 4.44Å; I18-Y33 HydrophobicContact CG1-CG 4.23Å
19	R	45.1	Very low	47.7	Very low	162 Å²	162	98.4 Å²	98.4	61%	0.611	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-36	173.2	-78.3	-179.9	178.9	169.4	-0.2	111.4	V15 E16 Y21 G22 M23	V15-R19 HydrophobicContact CG1-CG 4.39Å; V15-R19 WeakPolarHBondContact O-CB 3.3Å; V15-R19 WeakPolarHBondContact O-CG 3.32Å; V15-R19 PolarHBondContact O-N 3.15Å; E16-R19 CarbonylContact O-C 3.59Å; E16-R19 PolarHBondContact O-N 3.43Å; R19-Y21 VanDerWaalsContact C-N 3.34Å; R19-Y21 PolarHBondContact O-N 3.29Å; R19-G22 CarbonylContact O-C 3.44Å; R19-G22 PolarHBondContact O-N 2.85Å; R19-G22 VanDerWaalsContact O-N 3.09Å; R19-M23 WeakPolarHBondContact O-CB 3.45Å; R19-M23 PolarHBondContact O-N 3.43Å
20	S	42.2	Very low	48.7	Very low	44 Å²	44	91.5 Å²	91.5	31%	0.308	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-42.7	173	79.6	0	0	0	0	110	E16 R17 I18 G22 Y24	E16-S20 WeakPolarHBondContact O-CB 3.05Å; E16-S20 PolarHBondContact O-N 3.29Å; R17-S20 WeakPolarHBondContact CA-OG 3.1Å; R17-S20 WeakPolarHBondContact O-CB 3.44Å; R17-S20 PolarHBondContact O-N 3.45Å; R17-S20 PolarHBondContact O-OG 2.99Å; I18-S20 VanDerWaalsContact C-N 3.33Å; S20-G22 VanDerWaalsContact C-N 3.29Å; S20-G22 PolarHBondContact O-N 2.93Å; S20-Y24 WeakPolarHBondContact O-CA 3.46Å; S20-Y24 WeakPolarHBondContact O-CB 3.34Å; S20-Y24 PolarHBondContact O-N 2.96Å
21	Y	45.8	Very low	49.7	Very low	118 Å²	118	89.3 Å²	89.3	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-29.6	172.1	-67.8	-67.8	0	0	0	113.9	R17 I18 R19 M40	R17-Y21 WeakPolarHBondContact O-CD2 3.2Å; R17-Y21 PolarHBondContact O-N 3.09Å; I18-Y21 PolarHBondContact O-N 3.32Å; R19-Y21 VanDerWaalsContact C-N 3.34Å; R19-Y21 PolarHBondContact O-N 3.29Å; Y21-M40 HydrophobicContact CD1-CE 3.98Å; Y21-M40 HydrophobicContact CD2-CE 3.94Å; Y21-M40 HydrophobicContact CG-CE 3.63Å
22	G	42	Very low	50.6	Low	54 Å²	54	89.2 Å²	89.2	56%	0.557	45%	0.453	S	S	*	.	H	α-helix	trans	-88.1	-22.3	-179.2	0	0	0	0	0	116.2	I18 R19 S20	I18-G22 PolarHBondContact O-N 2.82Å; R19-G22 CarbonylContact O-C 3.44Å; R19-G22 PolarHBondContact O-N 2.85Å; R19-G22 VanDerWaalsContact O-N 3.09Å; S20-G22 VanDerWaalsContact C-N 3.29Å; S20-G22 PolarHBondContact O-N 2.93Å
23	M	37.3	Very low	51.3	Low	156 Å²	156	88.1 Å²	88.1	77%	0.768	44%	0.438	S	S	*	.	H	α-helix	trans	-121.9	-27	-176.3	-76.4	-178.7	68.8	0	0	114	R19 G25	R19-M23 WeakPolarHBondContact O-CB 3.45Å; R19-M23 PolarHBondContact O-N 3.43Å; M23-G25 PolarHBondContact O-N 3.19Å
24	Y	34.5	Very low	52.3	Low	209 Å²	209	84.2 Å²	84.2	82%	0.82	42%	0.417	S	S	*	.	S	Bend	trans	-78.1	78.3	172.5	-98.3	-98.5	0	0	0	109.9	S20	S20-Y24 WeakPolarHBondContact O-CA 3.46Å; S20-Y24 WeakPolarHBondContact O-CB 3.34Å; S20-Y24 PolarHBondContact O-N 2.96Å
25	G	37.2	Very low	53.7	Low	45 Å²	45	83.7 Å²	83.7	46%	0.464	42%	0.419	S	S	.	.			trans	146.3	112.8	159.7	0	0	0	0	0	111.9	M23 S27	M23-G25 PolarHBondContact O-N 3.19Å; G25-S27 WeakPolarHBondContact CA-OG 3.15Å; G25-S27 PolarHBondContact O-N 2.81Å
26	N	42.3	Very low	54.8	Low	151 Å²	151	88.1 Å²	88.1	81%	0.807	44%	0.435	S	S	*	.			trans	-55.6	27.3	142.9	-75	-52.3	0	0	0	112.7	Y28	N26-Y28 WeakPolarHBondContact O-CD2 3Å; N26-Y28 WeakPolarHBondContact O-CE2 3.19Å
27	S	44.1	Very low	56	Low	64 Å²	64	83.6 Å²	83.6	45%	0.448	42%	0.416	S	S	.	.			trans	-90.6	109.6	177.8	4.8	0	0	0	0	108.1	G25 F29 G30	G25-S27 WeakPolarHBondContact CA-OG 3.15Å; G25-S27 PolarHBondContact O-N 2.81Å; S27-F29 PolarHBondContact O-N 2.9Å; S27-G30 PolarHBondContact O-N 3.34Å
28	Y	52.3	Low	57.2	Low	64 Å²	64	82 Å²	82	25%	0.251	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	9.2	168	-52.3	-107.7	0	0	0	116.4	N26 R153 D154	N26-Y28 WeakPolarHBondContact O-CD2 3Å; N26-Y28 WeakPolarHBondContact O-CE2 3.19Å; Y28-R153 HydrophobicContact CD1-CG 3.86Å; Y28-R153 VanDerWaalsContact CD1-NE 3.34Å; Y28-R153 VanDerWaalsContact CE1-CD 3.5Å; Y28-R153 HydrophobicContact CE1-CG 3.85Å; Y28-R153 PolarHBondContact OH-NH1 2.85Å; Y28-D154 WeakPolarHBondContact CA-OD1 3.41Å; Y28-D154 WeakPolarHBondContact O-CA 3.46Å; Y28-D154 WeakPolarHBondContact O-CB 3.06Å; Y28-D154 VanDerWaalsContact O-CG 3.29Å
29	F	56.2	Low	58.4	Low	39 Å²	39	84.4 Å²	84.4	17%	0.171	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	21.3	-175.9	-68.6	-68.6	0	0	0	112.1	S27 P157 Y194 A197 M198 K201	S27-F29 PolarHBondContact O-N 2.9Å; F29-P157 HydrophobicContact CE1-CG 4.23Å; F29-P157 HydrophobicContact CE2-CB 3.69Å; F29-P157 HydrophobicContact CE2-CG 4.26Å; F29-P157 HydrophobicContact CZ-CB 3.36Å; F29-P157 HydrophobicContact CZ-CG 3.43Å; F29-P157 VanDerWaalsContact CZ-CG 3.43Å; F29-Y194 HydrophobicContact CD1-CD2 4.34Å; F29-Y194 HydrophobicContact CD1-CE2 4.2Å; F29-Y194 AromaticContact CE1-CD2 3.65Å; F29-Y194 HydrophobicContact CE1-CD2 3.65Å; F29-Y194 AromaticContact CE1-CE2 3.95Å; F29-Y194 HydrophobicContact CE1-CE2 3.95Å; F29-A197 HydrophobicContact CD1-CB 3.98Å; F29-A197 HydrophobicContact CE1-CB 3.7Å; F29-A197 HydrophobicContact CE2-CB 4.47Å; F29-A197 HydrophobicContact CG-CB 4.45Å; F29-A197 HydrophobicContact CZ-CB 4.03Å; F29-M198 HydrophobicContact CB-CE 3.91Å; F29-M198 HydrophobicContact CD1-CE 3.23Å; F29-M198 HydrophobicContact CE1-CE 4.1Å; F29-M198 HydrophobicContact CG-CE 3.91Å; F29-K201 PolarHBondContact O-NZ 3.06Å
30	G	62.9	Low	59.7	Low	16 Å²	16	77.9 Å²	77.9	17%	0.165	40%	0.401	C	S	.	.			trans	-55.8	148.8	-176	0	0	0	0	0	112.9	S27 V43	S27-G30 PolarHBondContact O-N 3.34Å; G30-V43 VanDerWaalsContact C-CG1 3.47Å; G30-V43 WeakPolarHBondContact O-CG1 2.9Å; G30-V43 WeakPolarHBondContact O-CG2 3.34Å; G30-V43 PolarHBondContact O-N 2.93Å
31	A	68.7	Low	61	Low	26 Å²	26	76 Å²	76	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.7	165.9	0	0	0	0	0	107.7	M40 V41 L222	A31-M40 HydrophobicContact CB-CE 3.86Å; A31-V41 CarbonylContact C-O 3.41Å; A31-V41 WeakPolarHBondContact CA-O 3.33Å; A31-L222 HydrophobicContact CB-CD1 3.69Å
32	R	70.3	Confident	62.2	Low	80 Å²	80	70.6 Å²	70.6	30%	0.302	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.5	175.3	67.7	178.8	-176.6	-179.5	-0.8	110.4	M40 V41 V43 C45 H46	R32-M40 CarbonylContact O-C 3.58Å; R32-M40 WeakPolarHBondContact O-CA 3.47Å; R32-V41 HydrophobicContact CG-CG2 3.85Å; R32-V41 PolarHBondContact N-O 3.09Å; R32-V41 PolarHBondContact O-N 3.36Å; R32-V43 HydrophobicContact CB-CG1 4.3Å; R32-C45 VanDerWaalsContact CZ-O 3.31Å; R32-C45 PolarHBondContact NE-O 3.48Å; R32-C45 PolarHBondContact NH2-O 3.29Å; R32-H46 PolarHBondContact NH2-CE1 2.9Å; R32-H46 VanDerWaalsContact NH2-CE1 3.34Å; R32-H46 PolarHBondContact NH2-ND1 3.36Å
33	Y	74.7	Confident	63.7	Low	55 Å²	55	70.2 Å²	70.2	22%	0.216	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.9	173.1	-167.7	-103.2	0	0	0	110.4	I18 L35 H38 M40	I18-Y33 HydrophobicContact CD1-CD1 3.82Å; I18-Y33 HydrophobicContact CD1-CE1 4.41Å; I18-Y33 HydrophobicContact CD1-CG 4.09Å; I18-Y33 HydrophobicContact CG1-CD1 4.44Å; I18-Y33 HydrophobicContact CG1-CG 4.23Å; Y33-L35 HydrophobicContact CD1-CD2 3.98Å; Y33-L35 HydrophobicContact CE1-CD2 4.2Å; Y33-H38 WeakPolarHBondContact CE2-O 3.29Å; Y33-H38 VanDerWaalsContact OH-CA 3.3Å; Y33-H38 WeakPolarHBondContact OH-CA 3.15Å; Y33-H38 WeakPolarHBondContact OH-CB 3.3Å; Y33-H38 PolarHBondContact OH-O 3.26Å; Y33-M40 VanDerWaalsContact CB-SD 3.59Å; Y33-M40 HydrophobicContact CD2-CG 4.16Å; Y33-M40 HydrophobicContact CD2-SD 3.73Å; Y33-M40 HydrophobicContact CG-SD 4.16Å
34	C	77.4	Confident	65.5	Low	11 Å²	11	63.1 Å²	63.1	7%	0.074	32%	0.319	C	S	.	.			trans	-83.4	119.2	168.8	-179.1	0	0	0	0	109.3	F36 C37 H38 F39 V41 C54	C34-F36 VanDerWaalsContact C-N 3.33Å; C34-F36 PolarHBondContact O-N 3.11Å; C34-C37 HydrophobicContact CB-CB 4.1Å; C34-C37 PolarHBondContact SG-N 3.12Å; C34-H38 VanDerWaalsContact O-CA 3.29Å; C34-H38 WeakPolarHBondContact O-CA 2.88Å; C34-H38 PolarHBondContact O-N 3.28Å; C34-F39 PolarHBondContact N-O 2.8Å; C34-V41 HydrophobicContact CB-CG1 4.42Å; C34-V41 HydrophobicContact CB-CG2 4.24Å; C34-C54 PolarHBondContact SG-SG 3.13Å
35	L	84.4	Confident	67.6	Low	97 Å²	97	53.2 Å²	53.2	51%	0.508	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.6	179.4	-65.9	173	0	0	0	113	L10 Y33 H38	L10-L35 HydrophobicContact CD1-CD2 4.04Å; L10-L35 HydrophobicContact CD2-CD2 4.45Å; Y33-L35 HydrophobicContact CD1-CD2 3.98Å; Y33-L35 HydrophobicContact CE1-CD2 4.2Å; L35-H38 PolarHBondContact O-CE1 2.72Å; L35-H38 PolarHBondContact O-ND1 2.85Å
36	F	79.8	Confident	69.7	Low	142 Å²	142	53.5 Å²	53.5	62%	0.623	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-47.2	180	-58.7	-81.8	0	0	0	112.4	C34 H47	C34-F36 VanDerWaalsContact C-N 3.33Å; C34-F36 PolarHBondContact O-N 3.11Å; F36-H47 VanDerWaalsContact CB-CE1 3.49Å; F36-H47 WeakPolarHBondContact CB-CE1 3.37Å; F36-H47 HydrophobicContact CD2-CB 4.27Å; F36-H47 AromaticContact CD2-CD2 3.73Å; F36-H47 AromaticContact CD2-CG 3.97Å; F36-H47 AromaticContact CG-CD2 3.75Å; F36-H47 AromaticContact CG-NE2 3.88Å
37	C	78.6	Confident	71.7	Confident	26 Å²	26	47.5 Å²	47.5	18%	0.176	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-16	179.2	-64.6	0	0	0	0	113.2	C34 F39 H47 C54	C34-C37 HydrophobicContact CB-CB 4.1Å; C34-C37 PolarHBondContact SG-N 3.12Å; C37-F39 HydrophobicContact CB-CD2 4.06Å; C37-F39 WeakPolarHBondContact O-CD2 3.49Å; C37-F39 WeakPolarHBondContact O-CE2 3.32Å; C37-F39 PolarHBondContact O-N 3.21Å; C37-H47 VanDerWaalsContact SG-CE1 3.56Å; C37-H47 PolarHBondContact SG-ND1 2.89Å; C37-C54 VanDerWaalsContact SG-SG 3.61Å
38	H	77.6	Confident	73.7	Confident	124 Å²	124	44.5 Å²	44.5	57%	0.574	22%	0.216	S	C	*	.			trans	57.9	25.8	-174	-55.6	-56.9	0	0	0	115.6	Y33 C34 L35	Y33-H38 WeakPolarHBondContact CE2-O 3.29Å; Y33-H38 VanDerWaalsContact OH-CA 3.3Å; Y33-H38 WeakPolarHBondContact OH-CA 3.15Å; Y33-H38 WeakPolarHBondContact OH-CB 3.3Å; Y33-H38 PolarHBondContact OH-O 3.26Å; C34-H38 VanDerWaalsContact O-CA 3.29Å; C34-H38 WeakPolarHBondContact O-CA 2.88Å; C34-H38 PolarHBondContact O-N 3.28Å; L35-H38 PolarHBondContact O-CE1 2.72Å; L35-H38 PolarHBondContact O-ND1 2.85Å
39	F	72.8	Confident	75.4	Confident	90 Å²	90	46.1 Å²	46.1	40%	0.395	23%	0.234	S	C	.	.	S	Bend	trans	-118.7	151.3	173.9	-63.9	-74.1	0	0	0	109.9	C34 C37 L222	C34-F39 PolarHBondContact N-O 2.8Å; C37-F39 HydrophobicContact CB-CD2 4.06Å; C37-F39 WeakPolarHBondContact O-CD2 3.49Å; C37-F39 WeakPolarHBondContact O-CE2 3.32Å; C37-F39 PolarHBondContact O-N 3.21Å; F39-L222 WeakPolarHBondContact CD1-O 3Å
40	M	72.3	Confident	76.9	Confident	25 Å²	25	48.9 Å²	48.9	12%	0.123	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	147.4	160.1	-61.8	-71	-71.7	0	0	107.1	Y21 A31 R32 Y33 P207 L222	Y21-M40 HydrophobicContact CD1-CE 3.98Å; Y21-M40 HydrophobicContact CD2-CE 3.94Å; Y21-M40 HydrophobicContact CG-CE 3.63Å; A31-M40 HydrophobicContact CB-CE 3.86Å; R32-M40 CarbonylContact O-C 3.58Å; R32-M40 WeakPolarHBondContact O-CA 3.47Å; Y33-M40 VanDerWaalsContact CB-SD 3.59Å; Y33-M40 HydrophobicContact CD2-CG 4.16Å; Y33-M40 HydrophobicContact CD2-SD 3.73Å; Y33-M40 HydrophobicContact CG-SD 4.16Å; M40-P207 HydrophobicContact CB-CG 3.94Å; M40-P207 HydrophobicContact CG-CG 4.04Å; M40-L222 VanDerWaalsContact C-CB 3.45Å; M40-L222 HydrophobicContact CB-CB 3.58Å; M40-L222 HydrophobicContact CB-CD1 3.22Å; M40-L222 HydrophobicContact CB-CG 3.82Å; M40-L222 WeakPolarHBondContact O-CB 3.42Å; M40-L222 WeakPolarHBondContact O-CG 3.28Å; M40-L222 PolarHBondContact O-N 3.47Å; M40-L222 VanDerWaalsContact O-N 3.09Å
41	V	69.1	Low	78	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	156	171.2	-65.6	0	0	0	0	109	A31 R32 C34 C45 C54	A31-V41 CarbonylContact C-O 3.41Å; A31-V41 WeakPolarHBondContact CA-O 3.33Å; R32-V41 HydrophobicContact CG-CG2 3.85Å; R32-V41 PolarHBondContact N-O 3.09Å; R32-V41 PolarHBondContact O-N 3.36Å; C34-V41 HydrophobicContact CB-CG1 4.42Å; C34-V41 HydrophobicContact CB-CG2 4.24Å; V41-C45 HydrophobicContact CB-CB 3.81Å; V41-C45 HydrophobicContact CG2-CB 3.97Å; V41-C54 HydrophobicContact CG1-CB 3.96Å
42	P	73	Confident	78.8	Confident	6 Å²	6	54 Å²	54	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.4	144.6	167	-28	34.7	0	0	0	111.4	I44 C45 F56 I209	P42-I44 HydrophobicContact CB-CG1 3.84Å; P42-I44 PolarHBondContact O-N 2.9Å; P42-I44 VanDerWaalsContact O-N 3.1Å; P42-C45 HydrophobicContact CB-CB 4.47Å; P42-C45 VanDerWaalsContact CD-SG 3.59Å; P42-C45 VanDerWaalsContact O-CB 3.32Å; P42-C45 WeakPolarHBondContact O-CB 3.37Å; P42-C45 PolarHBondContact O-N 3.3Å; P42-F56 HydrophobicContact CG-CD2 4.42Å; P42-F56 HydrophobicContact CG-CE2 4.43Å; P42-I209 HydrophobicContact CG-CD1 3.54Å; P42-I209 HydrophobicContact CG-CG1 3.96Å; P42-I209 HydrophobicContact CG-CG2 3.99Å
43	V	73.1	Confident	79.3	Confident	46 Å²	46	51.6 Å²	51.6	28%	0.279	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.9	177.3	-75.1	0	0	0	0	112.9	G30 R32 C45	G30-V43 VanDerWaalsContact C-CG1 3.47Å; G30-V43 WeakPolarHBondContact O-CG1 2.9Å; G30-V43 WeakPolarHBondContact O-CG2 3.34Å; G30-V43 PolarHBondContact O-N 2.93Å; R32-V43 HydrophobicContact CB-CG1 4.3Å; V43-C45 VanDerWaalsContact C-N 3.31Å; V43-C45 PolarHBondContact O-N 2.85Å
44	I	75.1	Confident	79.6	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.036	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.8	176.5	62	173.8	0	0	0	114.3	P42 H46 F56 R57 C151 D154 Y194	P42-I44 HydrophobicContact CB-CG1 3.84Å; P42-I44 PolarHBondContact O-N 2.9Å; P42-I44 VanDerWaalsContact O-N 3.1Å; I44-H46 PolarHBondContact O-CD2 3.21Å; I44-F56 HydrophobicContact CD1-CD2 4.1Å; I44-F56 HydrophobicContact CD1-CE1 3.89Å; I44-F56 HydrophobicContact CD1-CE2 3.4Å; I44-F56 VanDerWaalsContact CD1-CE2 3.4Å; I44-F56 HydrophobicContact CD1-CZ 3.27Å; I44-F56 HydrophobicContact CG1-CD2 4.21Å; I44-F56 HydrophobicContact CG1-CE2 3.91Å; I44-F56 HydrophobicContact CG1-CZ 4.24Å; I44-R57 WeakPolarHBondContact O-CA 3.37Å; I44-R57 PolarHBondContact O-N 2.81Å; I44-C151 HydrophobicContact CG2-CB 4.33Å; I44-D154 HydrophobicContact CG2-CB 4.09Å; I44-Y194 HydrophobicContact CD1-CE2 4.42Å
45	C	77.5	Confident	79.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.4	174.2	-71.6	0	0	0	0	110.7	R32 V41 P42 V43 V55 F56	R32-C45 VanDerWaalsContact CZ-O 3.31Å; R32-C45 PolarHBondContact NE-O 3.48Å; R32-C45 PolarHBondContact NH2-O 3.29Å; V41-C45 HydrophobicContact CB-CB 3.81Å; V41-C45 HydrophobicContact CG2-CB 3.97Å; P42-C45 HydrophobicContact CB-CB 4.47Å; P42-C45 VanDerWaalsContact CD-SG 3.59Å; P42-C45 VanDerWaalsContact O-CB 3.32Å; P42-C45 WeakPolarHBondContact O-CB 3.37Å; P42-C45 PolarHBondContact O-N 3.3Å; V43-C45 VanDerWaalsContact C-N 3.31Å; V43-C45 PolarHBondContact O-N 2.85Å; C45-V55 CarbonylContact C-O 3.55Å; C45-V55 VanDerWaalsContact CA-O 3.31Å; C45-V55 WeakPolarHBondContact CA-O 3.4Å; C45-F56 VanDerWaalsContact SG-CA 3.54Å; C45-F56 WeakPolarHBondContact SG-CD2 3.4Å
46	H	81.3	Confident	79.5	Confident	52 Å²	52	44.4 Å²	44.4	24%	0.241	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.9	176	-63.7	-103.8	0	0	0	111.3	R32 I44 V55 K58	R32-H46 PolarHBondContact NH2-CE1 2.9Å; R32-H46 VanDerWaalsContact NH2-CE1 3.34Å; R32-H46 PolarHBondContact NH2-ND1 3.36Å; I44-H46 PolarHBondContact O-CD2 3.21Å; H46-V55 PolarHBondContact N-O 3.5Å; H46-V55 PolarHBondContact O-N 3.2Å; H46-K58 HydrophobicContact CB-CB 3.96Å; H46-K58 HydrophobicContact CB-CD 3.94Å
47	H	83.7	Confident	79.4	Confident	25 Å²	25	38.4 Å²	38.4	12%	0.116	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.3	171.2	-170.8	84.6	0	0	0	110.3	F36 C37 D52	F36-H47 VanDerWaalsContact CB-CE1 3.49Å; F36-H47 WeakPolarHBondContact CB-CE1 3.37Å; F36-H47 HydrophobicContact CD2-CB 4.27Å; F36-H47 AromaticContact CD2-CD2 3.73Å; F36-H47 AromaticContact CD2-CG 3.97Å; F36-H47 AromaticContact CG-CD2 3.75Å; F36-H47 AromaticContact CG-NE2 3.88Å; C37-H47 VanDerWaalsContact SG-CE1 3.56Å; C37-H47 PolarHBondContact SG-ND1 2.89Å; H47-D52 IonicContact CE1-OD1 3.48Å; H47-D52 PolarHBondContact CE1-OD1 2.99Å; H47-D52 IonicContact NE2-OD1 3.65Å
48	C	86.8	Confident	79.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.2	169.4	-179	0	0	0	0	108.9	V50 C51 D52 Y53 V55 K58 C68	C48-V50 PolarHBondContact O-N 3.19Å; C48-C51 HydrophobicContact CB-CB 4.06Å; C48-C51 PolarHBondContact O-N 2.62Å; C48-C51 PolarHBondContact SG-N 2.99Å; C48-D52 WeakPolarHBondContact O-CA 3.14Å; C48-D52 PolarHBondContact O-N 3.17Å; C48-Y53 PolarHBondContact N-O 3.37Å; C48-Y53 PolarHBondContact O-N 2.95Å; C48-V55 HydrophobicContact CB-CG2 4.39Å; C48-K58 HydrophobicContact CB-CD 4.26Å; C48-C68 WeakPolarHBondContact CB-SG 3.31Å; C48-C68 PolarHBondContact SG-SG 2.9Å
49	P	88.8	Confident	79.9	Confident	98 Å²	98	33.3 Å²	33.3	64%	0.636	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.4	178.3	-23.4	34	0	0	0	113.7
50	V	87.4	Confident	80.7	Confident	96 Å²	96	31.3 Å²	31.3	58%	0.582	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-40.5	-179.5	-174.2	0	0	0	0	111.4	C48 H61	C48-V50 PolarHBondContact O-N 3.19Å; V50-H61 WeakPolarHBondContact CG1-CE1 3.41Å
51	C	85.8	Confident	81.5	Confident	34 Å²	34	31.6 Å²	31.6	23%	0.23	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.9	178.8	-66.4	0	0	0	0	113.7	C48 Y53 H61 C68	C48-C51 HydrophobicContact CB-CB 4.06Å; C48-C51 PolarHBondContact O-N 2.62Å; C48-C51 PolarHBondContact SG-N 2.99Å; C51-Y53 HydrophobicContact CB-CD1 3.7Å; C51-Y53 HydrophobicContact CB-CE1 3.32Å; C51-Y53 WeakPolarHBondContact O-CD1 3.39Å; C51-Y53 PolarHBondContact O-N 3.04Å; C51-H61 PolarHBondContact SG-CE1 2.73Å; C51-H61 PolarHBondContact SG-ND1 2.91Å; C51-C68 PolarHBondContact SG-SG 3.17Å
52	D	85.7	Confident	82.6	Confident	117 Å²	117	31.8 Å²	31.8	63%	0.626	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	40.4	-175.7	-164.4	29.7	0	0	0	114.8	H47 C48	H47-D52 IonicContact CE1-OD1 3.48Å; H47-D52 PolarHBondContact CE1-OD1 2.99Å; H47-D52 IonicContact NE2-OD1 3.65Å; C48-D52 WeakPolarHBondContact O-CA 3.14Å; C48-D52 PolarHBondContact O-N 3.17Å
53	Y	80.5	Confident	83.5	Confident	29 Å²	29	39.2 Å²	39.2	11%	0.114	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	163.8	171.5	66.4	-98.7	0	0	0	113.5	C48 C51 V55 Q217 K219	C48-Y53 PolarHBondContact N-O 3.37Å; C48-Y53 PolarHBondContact O-N 2.95Å; C51-Y53 HydrophobicContact CB-CD1 3.7Å; C51-Y53 HydrophobicContact CB-CE1 3.32Å; C51-Y53 WeakPolarHBondContact O-CD1 3.39Å; C51-Y53 PolarHBondContact O-N 3.04Å; Y53-V55 HydrophobicContact CD2-CG2 3.92Å; Y53-V55 HydrophobicContact CE2-CB 4.39Å; Y53-V55 HydrophobicContact CE2-CG2 3.32Å; Y53-Q217 PolarHBondContact OH-OE1 3.41Å; Y53-K219 HydrophobicContact CD2-CG 3.98Å; Y53-K219 HydrophobicContact CE2-CG 4.31Å; Y53-K219 HydrophobicContact CG-CG 4.45Å
54	C	80.4	Confident	84.1	Confident	6 Å²	6	46 Å²	46	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.9	175.4	-74	0	0	0	0	112.3	C34 C37 V41	C34-C54 PolarHBondContact SG-SG 3.13Å; C37-C54 VanDerWaalsContact SG-SG 3.61Å; V41-C54 HydrophobicContact CG1-CB 3.96Å
55	V	80.5	Confident	84.6	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.4	176.8	-179.6	0	0	0	0	108.8	C45 H46 C48 Y53 K58 C68	C45-V55 CarbonylContact C-O 3.55Å; C45-V55 VanDerWaalsContact CA-O 3.31Å; C45-V55 WeakPolarHBondContact CA-O 3.4Å; H46-V55 PolarHBondContact N-O 3.5Å; H46-V55 PolarHBondContact O-N 3.2Å; C48-V55 HydrophobicContact CB-CG2 4.39Å; Y53-V55 HydrophobicContact CD2-CG2 3.92Å; Y53-V55 HydrophobicContact CE2-CB 4.39Å; Y53-V55 HydrophobicContact CE2-CG2 3.32Å; V55-K58 HydrophobicContact CB-CB 3.79Å; V55-K58 HydrophobicContact CB-CD 4.21Å; V55-K58 HydrophobicContact CB-CG 3.93Å; V55-K58 HydrophobicContact CG1-CB 3.93Å; V55-K58 HydrophobicContact CG1-CG 4.13Å; V55-K58 HydrophobicContact CG2-CD 4.39Å; V55-K58 HydrophobicContact CG2-CG 4.41Å; V55-C68 HydrophobicContact CB-CB 4.43Å; V55-C68 HydrophobicContact CG1-CB 4.18Å; V55-C68 HydrophobicContact CG2-CB 3.49Å; V55-C68 VanDerWaalsContact CG2-CB 3.49Å
56	F	79.4	Confident	85.1	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.9	175.8	-178.5	-84.8	0	0	0	112	P42 I44 C45 K58 F71 L190 Y194 Y220	P42-F56 HydrophobicContact CG-CD2 4.42Å; P42-F56 HydrophobicContact CG-CE2 4.43Å; I44-F56 HydrophobicContact CD1-CD2 4.1Å; I44-F56 HydrophobicContact CD1-CE1 3.89Å; I44-F56 HydrophobicContact CD1-CE2 3.4Å; I44-F56 VanDerWaalsContact CD1-CE2 3.4Å; I44-F56 HydrophobicContact CD1-CZ 3.27Å; I44-F56 HydrophobicContact CG1-CD2 4.21Å; I44-F56 HydrophobicContact CG1-CE2 3.91Å; I44-F56 HydrophobicContact CG1-CZ 4.24Å; C45-F56 VanDerWaalsContact SG-CA 3.54Å; C45-F56 WeakPolarHBondContact SG-CD2 3.4Å; F56-K58 PolarHBondContact O-N 3.19Å; F56-F71 HydrophobicContact CD1-CB 3.59Å; F56-F71 HydrophobicContact CD1-CD1 4.31Å; F56-F71 AromaticContact CD1-CG 4Å; F56-F71 HydrophobicContact CD1-CG 4Å; F56-F71 HydrophobicContact CE1-CB 4.05Å; F56-F71 HydrophobicContact CE1-CD1 4.28Å; F56-F71 HydrophobicContact CE1-CD2 4.36Å; F56-F71 AromaticContact CE1-CG 3.99Å; F56-F71 HydrophobicContact CE1-CG 3.99Å; F56-F71 PolarHBondContact O-N 3.4Å; F56-L190 HydrophobicContact CE1-CD2 4.03Å; F56-L190 HydrophobicContact CE2-CD2 4.38Å; F56-L190 HydrophobicContact CZ-CD2 3.56Å; F56-Y194 HydrophobicContact CE2-CE1 4.23Å; F56-Y194 WeakPolarHBondContact CE2-OH 3.25Å; F56-Y194 HydrophobicContact CZ-CE1 4.03Å; F56-Y194 AromaticContact CZ-CZ 3.98Å; F56-Y220 HydrophobicContact CB-CD2 3.09Å; F56-Y220 HydrophobicContact CB-CE2 2.98Å; F56-Y220 HydrophobicContact CB-CG 3.93Å; F56-Y220 AromaticContact CD1-CE2 3.84Å; F56-Y220 HydrophobicContact CD1-CE2 3.84Å; F56-Y220 AromaticContact CD1-CZ 3.77Å; F56-Y220 AromaticContact CD2-CD1 3.77Å; F56-Y220 HydrophobicContact CD2-CD1 3.77Å; F56-Y220 AromaticContact CD2-CD2 3.76Å; F56-Y220 HydrophobicContact CD2-CD2 3.76Å; F56-Y220 AromaticContact CD2-CE1 3.64Å; F56-Y220 HydrophobicContact CD2-CE1 3.64Å; F56-Y220 AromaticContact CD2-CE2 3.61Å; F56-Y220 HydrophobicContact CD2-CE2 3.61Å; F56-Y220 AromaticContact CD2-CG 3.77Å; F56-Y220 HydrophobicContact CD2-CG 3.77Å; F56-Y220 AromaticContact CD2-CZ 3.5Å; F56-Y220 HydrophobicContact CE2-CD1 4.23Å; F56-Y220 AromaticContact CE2-CE1 3.86Å; F56-Y220 HydrophobicContact CE2-CE1 3.86Å; F56-Y220 HydrophobicContact CE2-CE2 4.49Å; F56-Y220 AromaticContact CE2-CZ 3.95Å; F56-Y220 HydrophobicContact CG-CD1 4.4Å; F56-Y220 AromaticContact CG-CD2 3.65Å; F56-Y220 HydrophobicContact CG-CD2 3.65Å; F56-Y220 HydrophobicContact CG-CE1 4.07Å; F56-Y220 AromaticContact CG-CE2 3.23Å; F56-Y220 HydrophobicContact CG-CE2 3.23Å; F56-Y220 HydrophobicContact CG-CG 4.17Å; F56-Y220 AromaticContact CG-CZ 3.43Å; F56-Y220 VanDerWaalsContact CG-CZ 3.43Å; F56-Y220 HydrophobicContact CZ-CE1 4.45Å
57	R	78.3	Confident	85.4	Confident	15 Å²	15	51.2 Å²	51.2	6%	0.057	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	50.9	-170.6	-178.5	162.8	178.1	-107.3	-5.9	110.2	I44 D59 G70 F71 C151 M155	I44-R57 WeakPolarHBondContact O-CA 3.37Å; I44-R57 PolarHBondContact O-N 2.81Å; R57-D59 PolarHBondContact O-N 2.99Å; R57-D59 VanDerWaalsContact O-N 3.16Å; R57-G70 VanDerWaalsContact O-CA 3.22Å; R57-G70 WeakPolarHBondContact O-CA 3.48Å; R57-F71 HydrophobicContact CB-CB 4.03Å; R57-C151 VanDerWaalsContact CG-SG 3.53Å; R57-M155 VanDerWaalsContact NE-CE 3.31Å
58	K	82	Confident	85.6	Confident	28 Å²	28	50 Å²	50	12%	0.122	27%	0.272	C	S	.	.			trans	-58.7	120.7	179.5	-173.2	179	169.2	-115.7	0	109.2	H46 C48 V55 F56 R147	H46-K58 HydrophobicContact CB-CB 3.96Å; H46-K58 HydrophobicContact CB-CD 3.94Å; C48-K58 HydrophobicContact CB-CD 4.26Å; V55-K58 HydrophobicContact CB-CB 3.79Å; V55-K58 HydrophobicContact CB-CD 4.21Å; V55-K58 HydrophobicContact CB-CG 3.93Å; V55-K58 HydrophobicContact CG1-CB 3.93Å; V55-K58 HydrophobicContact CG1-CG 4.13Å; V55-K58 HydrophobicContact CG2-CD 4.39Å; V55-K58 HydrophobicContact CG2-CG 4.41Å; F56-K58 PolarHBondContact O-N 3.19Å; K58-R147 PolarHBondContact O-NH1 3.19Å
59	D	84.5	Confident	85.7	Confident	16 Å²	16	50 Å²	50	9%	0.086	27%	0.272	C	S	.	.			trans	-82.8	-69.1	168.4	-171.1	38.7	0	0	0	109.1	R57 V69 Q136 A146 R147	R57-D59 PolarHBondContact O-N 2.99Å; R57-D59 VanDerWaalsContact O-N 3.16Å; D59-V69 HydrophobicContact CB-CB 4.45Å; D59-V69 HydrophobicContact CB-CG1 4.39Å; D59-V69 WeakPolarHBondContact CB-O 3.14Å; D59-V69 PolarHBondContact N-O 2.93Å; D59-Q136 PolarHBondContact OD2-NE2 2.84Å; D59-A146 WeakPolarHBondContact OD1-CB 3.41Å; D59-R147 VanDerWaalsContact O-CZ 3.23Å; D59-R147 PolarHBondContact O-NH1 3.47Å; D59-R147 PolarHBondContact O-NH2 2.97Å
60	H	89.3	Confident	85.5	Confident	47 Å²	47	45.5 Å²	45.5	22%	0.218	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	172.3	177.9	62.4	-78.6	0	0	0	111.8	C68 V69 F77	H60-C68 CarbonylContact O-C 3.59Å; H60-C68 WeakPolarHBondContact O-CA 3.31Å; H60-V69 PolarHBondContact N-O 2.67Å; H60-V69 PolarHBondContact O-N 2.72Å; H60-F77 AromaticContact CE1-CE1 3.46Å; H60-F77 VanDerWaalsContact CE1-CE1 3.46Å; H60-F77 WeakPolarHBondContact CE1-CE1 3.33Å; H60-F77 AromaticContact CE1-CZ 3.39Å; H60-F77 WeakPolarHBondContact CE1-CZ 3.44Å; H60-F77 AromaticContact NE2-CZ 3.43Å; H60-F77 WeakPolarHBondContact NE2-CZ 3.37Å
61	H	90.2	Very high	85.2	Confident	32 Å²	32	41.3 Å²	41.3	15%	0.148	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.1	164.1	-178.1	97.8	0	0	0	107.1	V50 C51	V50-H61 WeakPolarHBondContact CG1-CE1 3.41Å; C51-H61 PolarHBondContact SG-CE1 2.73Å; C51-H61 PolarHBondContact SG-ND1 2.91Å
62	C	91.2	Very high	84.8	Confident	6 Å²	6	41 Å²	41	4%	0.041	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.9	-178.9	-174.1	0	0	0	0	109.2	F64 M65 G66 G67 V69 F77	C62-F64 VanDerWaalsContact C-N 3.31Å; C62-F64 PolarHBondContact O-N 3.18Å; C62-M65 HydrophobicContact CB-CB 4.13Å; C62-M65 HydrophobicContact CB-CG 4.29Å; C62-M65 PolarHBondContact O-N 3.07Å; C62-G66 PolarHBondContact O-N 3.42Å; C62-G66 VanDerWaalsContact O-N 3.15Å; C62-G67 PolarHBondContact N-O 3.34Å; C62-G67 PolarHBondContact O-N 3.33Å; C62-G67 VanDerWaalsContact O-N 3.15Å; C62-V69 HydrophobicContact CB-CG2 3.87Å; C62-F77 HydrophobicContact CB-CE2 4.36Å
63	F	91.5	Very high	84.7	Confident	163 Å²	163	36.9 Å²	36.9	72%	0.715	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.4	176.9	-62.9	-73.6	0	0	0	112.1	M65 G66	F63-M65 VanDerWaalsContact C-N 3.32Å; F63-M65 PolarHBondContact O-N 3.38Å; F63-G66 PolarHBondContact O-N 2.98Å
64	F	86.3	Confident	84.9	Confident	188 Å²	188	36.1 Å²	36.1	83%	0.825	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-34.7	179.8	-57.5	-72.7	0	0	0	113.1	C62	C62-F64 VanDerWaalsContact C-N 3.31Å; C62-F64 PolarHBondContact O-N 3.18Å
65	M	86	Confident	85.2	Confident	94 Å²	94	36.3 Å²	36.3	46%	0.463	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.3	177.7	-60.7	-66.7	-75.3	0	0	112.5	C62 F63 G67 F77 F80	C62-M65 HydrophobicContact CB-CB 4.13Å; C62-M65 HydrophobicContact CB-CG 4.29Å; C62-M65 PolarHBondContact O-N 3.07Å; F63-M65 VanDerWaalsContact C-N 3.32Å; F63-M65 PolarHBondContact O-N 3.38Å; M65-G67 PolarHBondContact O-N 3.21Å; M65-F77 HydrophobicContact CG-CD2 4.25Å; M65-F77 HydrophobicContact CG-CE2 4.41Å; M65-F80 HydrophobicContact SD-CD1 4.33Å; M65-F80 HydrophobicContact SD-CD2 4.5Å; M65-F80 HydrophobicContact SD-CE1 4.47Å; M65-F80 HydrophobicContact SD-CG 4.34Å
66	G	88.6	Confident	85.5	Confident	65 Å²	65	39.8 Å²	39.8	67%	0.67	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	26.9	-175.4	0	0	0	0	0	114	C62 F63	C62-G66 PolarHBondContact O-N 3.42Å; C62-G66 VanDerWaalsContact O-N 3.15Å; F63-G66 PolarHBondContact O-N 2.98Å
67	G	87	Confident	86.1	Confident	9 Å²	9	40 Å²	40	9%	0.093	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	169.4	-169.1	0	0	0	0	0	114.9	C62 M65	C62-G67 PolarHBondContact N-O 3.34Å; C62-G67 PolarHBondContact O-N 3.33Å; C62-G67 VanDerWaalsContact O-N 3.15Å; M65-G67 PolarHBondContact O-N 3.21Å
68	C	87.8	Confident	86.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	147.2	176.2	-77.2	0	0	0	0	111.3	C48 C51 V55 H60 N73 Q217	C48-C68 WeakPolarHBondContact CB-SG 3.31Å; C48-C68 PolarHBondContact SG-SG 2.9Å; C51-C68 PolarHBondContact SG-SG 3.17Å; V55-C68 HydrophobicContact CB-CB 4.43Å; V55-C68 HydrophobicContact CG1-CB 4.18Å; V55-C68 HydrophobicContact CG2-CB 3.49Å; V55-C68 VanDerWaalsContact CG2-CB 3.49Å; H60-C68 CarbonylContact O-C 3.59Å; H60-C68 WeakPolarHBondContact O-CA 3.31Å; C68-N73 PolarHBondContact O-ND2 3.5Å; C68-Q217 PolarHBondContact O-NE2 3.46Å
69	V	88.4	Confident	87.1	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.7	166.1	-177	0	0	0	0	107.8	D59 H60 C62 N73 Q74 F77	D59-V69 HydrophobicContact CB-CB 4.45Å; D59-V69 HydrophobicContact CB-CG1 4.39Å; D59-V69 WeakPolarHBondContact CB-O 3.14Å; D59-V69 PolarHBondContact N-O 2.93Å; H60-V69 PolarHBondContact N-O 2.67Å; H60-V69 PolarHBondContact O-N 2.72Å; C62-V69 HydrophobicContact CB-CG2 3.87Å; V69-N73 WeakPolarHBondContact CA-OD1 3.28Å; V69-Q74 HydrophobicContact CG1-CB 4.47Å; V69-F77 HydrophobicContact CG1-CB 3.78Å; V69-F77 HydrophobicContact CG1-CD1 3.94Å; V69-F77 HydrophobicContact CG1-CG 3.83Å; V69-F77 HydrophobicContact CG2-CB 4.29Å; V69-F77 HydrophobicContact CG2-CD1 4.37Å; V69-F77 HydrophobicContact CG2-CD2 3.7Å; V69-F77 HydrophobicContact CG2-CE2 4Å; V69-F77 HydrophobicContact CG2-CG 3.86Å; V69-F77 HydrophobicContact CG2-CZ 4.41Å
70	G	85.6	Confident	87.5	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	-160.2	-164.1	179.4	0	0	0	0	0	111.7	R57 G72 N73 Q74	R57-G70 VanDerWaalsContact O-CA 3.22Å; R57-G70 WeakPolarHBondContact O-CA 3.48Å; G70-G72 VanDerWaalsContact C-N 3.26Å; G70-G72 PolarHBondContact O-N 2.78Å; G70-G72 VanDerWaalsContact O-N 3.12Å; G70-N73 PolarHBondContact N-OD1 3.48Å; G70-N73 PolarHBondContact O-N 2.73Å; G70-N73 VanDerWaalsContact O-N 3.1Å; G70-N73 PolarHBondContact O-OD1 3.46Å; G70-Q74 VanDerWaalsContact O-CB 3.27Å; G70-Q74 WeakPolarHBondContact O-CB 3.15Å; G70-Q74 PolarHBondContact O-N 3.08Å
71	F	80.7	Confident	87.7	Confident	9 Å²	9	40 Å²	40	4%	0.039	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-42.4	-173.7	-179.3	-103.3	0	0	0	114.1	F56 R57 N73 M155 L170 N188 L190	F56-F71 HydrophobicContact CD1-CB 3.59Å; F56-F71 HydrophobicContact CD1-CD1 4.31Å; F56-F71 AromaticContact CD1-CG 4Å; F56-F71 HydrophobicContact CD1-CG 4Å; F56-F71 HydrophobicContact CE1-CB 4.05Å; F56-F71 HydrophobicContact CE1-CD1 4.28Å; F56-F71 HydrophobicContact CE1-CD2 4.36Å; F56-F71 AromaticContact CE1-CG 3.99Å; F56-F71 HydrophobicContact CE1-CG 3.99Å; F56-F71 PolarHBondContact O-N 3.4Å; R57-F71 HydrophobicContact CB-CB 4.03Å; F71-N73 VanDerWaalsContact C-N 3.31Å; F71-N73 PolarHBondContact O-N 2.82Å; F71-M155 HydrophobicContact CD2-SD 4.36Å; F71-M155 HydrophobicContact CE2-SD 4.41Å; F71-L170 HydrophobicContact CE2-CD1 3.78Å; F71-L170 HydrophobicContact CE2-CG 4.22Å; F71-L170 HydrophobicContact CZ-CD1 4.46Å; F71-N188 WeakPolarHBondContact CE2-ND2 3.48Å; F71-N188 HydrophobicContact CZ-CB 4.46Å; F71-N188 WeakPolarHBondContact CZ-ND2 3.23Å; F71-L190 HydrophobicContact CE1-CD1 3.77Å; F71-L190 HydrophobicContact CE1-CG 3.91Å; F71-L190 HydrophobicContact CZ-CD1 4.27Å; F71-L190 HydrophobicContact CZ-CG 3.93Å
72	G	77.6	Confident	87.9	Confident	26 Å²	26	41 Å²	41	27%	0.268	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.4	-175.6	0	0	0	0	0	115	G70	G70-G72 VanDerWaalsContact C-N 3.26Å; G70-G72 PolarHBondContact O-N 2.78Å; G70-G72 VanDerWaalsContact O-N 3.12Å
73	N	83.1	Confident	88	Confident	32 Å²	32	46.9 Å²	46.9	17%	0.171	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	3.9	-174.1	68.8	-13.3	0	0	0	115.4	C68 V69 G70 F71 R75 Y76 F77	C68-N73 PolarHBondContact O-ND2 3.5Å; V69-N73 WeakPolarHBondContact CA-OD1 3.28Å; G70-N73 PolarHBondContact N-OD1 3.48Å; G70-N73 PolarHBondContact O-N 2.73Å; G70-N73 VanDerWaalsContact O-N 3.1Å; G70-N73 PolarHBondContact O-OD1 3.46Å; F71-N73 VanDerWaalsContact C-N 3.31Å; F71-N73 PolarHBondContact O-N 2.82Å; N73-R75 PolarHBondContact O-N 2.95Å; N73-Y76 HydrophobicContact CB-CD2 4.05Å; N73-Y76 PolarHBondContact O-N 3.24Å; N73-F77 PolarHBondContact O-N 3.44Å; N73-F77 VanDerWaalsContact O-N 3.11Å
74	Q	84.9	Confident	88.1	Confident	13 Å²	13	40.9 Å²	40.9	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-38.1	179.3	-176.8	178	16.4	0	0	112.3	V69 G70 Y76 F77 I78 V171	V69-Q74 HydrophobicContact CG1-CB 4.47Å; G70-Q74 VanDerWaalsContact O-CB 3.27Å; G70-Q74 WeakPolarHBondContact O-CB 3.15Å; G70-Q74 PolarHBondContact O-N 3.08Å; Q74-Y76 PolarHBondContact O-N 2.72Å; Q74-F77 WeakPolarHBondContact O-CB 3.16Å; Q74-F77 PolarHBondContact O-N 3.09Å; Q74-I78 HydrophobicContact CG-CD1 4.1Å; Q74-I78 WeakPolarHBondContact O-CG1 3.44Å; Q74-I78 PolarHBondContact O-N 2.82Å; Q74-V171 HydrophobicContact CB-CG1 4.3Å; Q74-V171 HydrophobicContact CG-CG1 4Å
75	R	86	Confident	88.5	Confident	10 Å²	10	32.5 Å²	32.5	4%	0.038	18%	0.179	C	C	.	.	H	α-helix	trans	-58.3	-47.1	175.5	69.9	-177.6	-176.1	176.2	-9.5	112.4	N73 F77 I78 V79 V171 F172 L184 L186	N73-R75 PolarHBondContact O-N 2.95Å; R75-F77 PolarHBondContact O-N 3.32Å; R75-I78 PolarHBondContact O-N 2.74Å; R75-I78 VanDerWaalsContact O-N 3.15Å; R75-V79 WeakPolarHBondContact O-CG2 3.36Å; R75-V79 PolarHBondContact O-N 3.5Å; R75-V171 HydrophobicContact CB-CG1 4.37Å; R75-V171 WeakPolarHBondContact CB-O 3.22Å; R75-F172 HydrophobicContact CB-CD1 4.09Å; R75-F172 HydrophobicContact CB-CE1 4.29Å; R75-L184 PolarHBondContact NH2-O 3.43Å; R75-L184 VanDerWaalsContact NH2-O 3.12Å; R75-L186 PolarHBondContact NH1-O 3.46Å; R75-L186 VanDerWaalsContact NH2-C 3.3Å; R75-L186 PolarHBondContact NH2-O 2.87Å
76	Y	87.8	Confident	89	Confident	77 Å²	77	31.7 Å²	31.7	30%	0.302	18%	0.176	S	C	.	.	H	α-helix	trans	-65.5	-36.1	-176.9	-62.3	-63.9	0	0	0	109.8	N73 Q74 F80 P183 P185	N73-Y76 HydrophobicContact CB-CD2 4.05Å; N73-Y76 PolarHBondContact O-N 3.24Å; Q74-Y76 PolarHBondContact O-N 2.72Å; Y76-F80 VanDerWaalsContact O-CB 3.23Å; Y76-F80 WeakPolarHBondContact O-CB 3.4Å; Y76-F80 PolarHBondContact O-N 2.71Å; Y76-P183 HydrophobicContact CD1-CB 3.69Å; Y76-P183 HydrophobicContact CE1-CB 3.82Å; Y76-P185 WeakPolarHBondContact OH-CA 3.4Å
77	F	90.7	Very high	89.3	Confident	6 Å²	6	30.5 Å²	30.5	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-43.8	174.8	-173.3	-108.8	0	0	0	112.9	H60 C62 M65 V69 N73 Q74 R75 F80 L81 F132 Q136	H60-F77 AromaticContact CE1-CE1 3.46Å; H60-F77 VanDerWaalsContact CE1-CE1 3.46Å; H60-F77 WeakPolarHBondContact CE1-CE1 3.33Å; H60-F77 AromaticContact CE1-CZ 3.39Å; H60-F77 WeakPolarHBondContact CE1-CZ 3.44Å; H60-F77 AromaticContact NE2-CZ 3.43Å; H60-F77 WeakPolarHBondContact NE2-CZ 3.37Å; C62-F77 HydrophobicContact CB-CE2 4.36Å; M65-F77 HydrophobicContact CG-CD2 4.25Å; M65-F77 HydrophobicContact CG-CE2 4.41Å; V69-F77 HydrophobicContact CG1-CB 3.78Å; V69-F77 HydrophobicContact CG1-CD1 3.94Å; V69-F77 HydrophobicContact CG1-CG 3.83Å; V69-F77 HydrophobicContact CG2-CB 4.29Å; V69-F77 HydrophobicContact CG2-CD1 4.37Å; V69-F77 HydrophobicContact CG2-CD2 3.7Å; V69-F77 HydrophobicContact CG2-CE2 4Å; V69-F77 HydrophobicContact CG2-CG 3.86Å; V69-F77 HydrophobicContact CG2-CZ 4.41Å; N73-F77 PolarHBondContact O-N 3.44Å; N73-F77 VanDerWaalsContact O-N 3.11Å; Q74-F77 WeakPolarHBondContact O-CB 3.16Å; Q74-F77 PolarHBondContact O-N 3.09Å; R75-F77 PolarHBondContact O-N 3.32Å; F77-F80 HydrophobicContact CD2-CD1 4.28Å; F77-F80 HydrophobicContact CE2-CD1 4.4Å; F77-F80 WeakPolarHBondContact O-CB 3.15Å; F77-F80 PolarHBondContact O-N 3.19Å; F77-L81 HydrophobicContact CD1-CD1 3.98Å; F77-L81 HydrophobicContact CE1-CD1 3.62Å; F77-L81 HydrophobicContact CE1-CG 4.27Å; F77-L81 HydrophobicContact CZ-CD1 4.14Å; F77-L81 HydrophobicContact CZ-CG 4.41Å; F77-L81 WeakPolarHBondContact O-CG 3.36Å; F77-L81 PolarHBondContact O-N 3.24Å; F77-F132 AromaticContact CE1-CE1 3.49Å; F77-F132 HydrophobicContact CE1-CE1 3.49Å; F77-F132 VanDerWaalsContact CE1-CE1 3.49Å; F77-F132 AromaticContact CE1-CZ 3.84Å; F77-F132 HydrophobicContact CE1-CZ 3.84Å; F77-F132 AromaticContact CZ-CE1 3.48Å; F77-F132 HydrophobicContact CZ-CE1 3.48Å; F77-F132 VanDerWaalsContact CZ-CE1 3.48Å; F77-F132 AromaticContact CZ-CZ 3.99Å; F77-F132 HydrophobicContact CZ-CZ 3.99Å; F77-Q136 HydrophobicContact CE1-CG 4.48Å
78	I	91.5	Very high	89.7	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-41.9	176.9	-63.9	166.5	0	0	0	110.9	Q74 R75 L81 F82 L133 Q136 V140 V171 F172 F180	Q74-I78 HydrophobicContact CG-CD1 4.1Å; Q74-I78 WeakPolarHBondContact O-CG1 3.44Å; Q74-I78 PolarHBondContact O-N 2.82Å; R75-I78 PolarHBondContact O-N 2.74Å; R75-I78 VanDerWaalsContact O-N 3.15Å; I78-L81 PolarHBondContact O-N 3.42Å; I78-F82 WeakPolarHBondContact O-CB 3.13Å; I78-F82 PolarHBondContact O-N 2.48Å; I78-L133 HydrophobicContact CG2-CD1 4.22Å; I78-Q136 HydrophobicContact CG1-CB 4.44Å; I78-V140 HydrophobicContact CD1-CG2 3.72Å; I78-V171 HydrophobicContact CD1-CG1 3.98Å; I78-F172 HydrophobicContact CB-CE1 4.5Å; I78-F172 HydrophobicContact CB-CZ 4.03Å; I78-F172 HydrophobicContact CD1-CE2 4.22Å; I78-F172 HydrophobicContact CD1-CZ 3.88Å; I78-F172 HydrophobicContact CG2-CZ 3.81Å; I78-F180 HydrophobicContact CG2-CE2 4.1Å
79	V	91.3	Very high	90.1	Very high	6 Å²	6	35 Å²	35	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-43	175.9	175.2	0	0	0	0	111	R75 L81 F82 W83 F172 F180 P183	R75-V79 WeakPolarHBondContact O-CG2 3.36Å; R75-V79 PolarHBondContact O-N 3.5Å; V79-L81 PolarHBondContact O-N 2.84Å; V79-F82 WeakPolarHBondContact O-CB 3.32Å; V79-F82 PolarHBondContact O-N 2.94Å; V79-W83 PolarHBondContact O-N 3.18Å; V79-F172 HydrophobicContact CG2-CE1 4.28Å; V79-F180 WeakPolarHBondContact CG2-O 3.45Å; V79-P183 HydrophobicContact CG1-CB 4.3Å; V79-P183 HydrophobicContact CG1-CG 4.05Å
80	F	92.1	Very high	90.5	Very high	88 Å²	88	41.9 Å²	41.9	39%	0.386	21%	0.212	S	C	.	.	H	α-helix	trans	-56.3	-48.9	172.3	160.7	-102.5	0	0	0	111.8	M65 Y76 F77 F82 W83 A84	M65-F80 HydrophobicContact SD-CD1 4.33Å; M65-F80 HydrophobicContact SD-CD2 4.5Å; M65-F80 HydrophobicContact SD-CE1 4.47Å; M65-F80 HydrophobicContact SD-CG 4.34Å; Y76-F80 VanDerWaalsContact O-CB 3.23Å; Y76-F80 WeakPolarHBondContact O-CB 3.4Å; Y76-F80 PolarHBondContact O-N 2.71Å; F77-F80 HydrophobicContact CD2-CD1 4.28Å; F77-F80 HydrophobicContact CE2-CD1 4.4Å; F77-F80 WeakPolarHBondContact O-CB 3.15Å; F77-F80 PolarHBondContact O-N 3.19Å; F80-F82 VanDerWaalsContact C-N 3.33Å; F80-F82 PolarHBondContact O-N 3.28Å; F80-W83 PolarHBondContact O-N 3.21Å; F80-A84 VanDerWaalsContact O-CB 3.25Å; F80-A84 WeakPolarHBondContact O-CB 3.38Å; F80-A84 PolarHBondContact O-N 3.35Å
81	L	93.5	Very high	90.9	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-41.1	178	-71.6	175.2	0	0	0	112.1	F77 I78 V79 A84 T85 F132 L133 Q136	F77-L81 HydrophobicContact CD1-CD1 3.98Å; F77-L81 HydrophobicContact CE1-CD1 3.62Å; F77-L81 HydrophobicContact CE1-CG 4.27Å; F77-L81 HydrophobicContact CZ-CD1 4.14Å; F77-L81 HydrophobicContact CZ-CG 4.41Å; F77-L81 WeakPolarHBondContact O-CG 3.36Å; F77-L81 PolarHBondContact O-N 3.24Å; I78-L81 PolarHBondContact O-N 3.42Å; V79-L81 PolarHBondContact O-N 2.84Å; L81-A84 PolarHBondContact O-N 2.7Å; L81-T85 WeakPolarHBondContact O-CB 3.33Å; L81-T85 PolarHBondContact O-N 2.63Å; L81-T85 PolarHBondContact O-OG1 2.66Å; L81-T85 VanDerWaalsContact O-OG1 3.12Å; L81-F132 HydrophobicContact CD1-CD1 3.51Å; L81-F132 HydrophobicContact CD1-CE1 3.57Å; L81-F132 HydrophobicContact CD2-CD1 3.7Å; L81-F132 HydrophobicContact CD2-CE1 4.06Å; L81-F132 HydrophobicContact CG-CD1 4.26Å; L81-F132 HydrophobicContact CG-CE1 4.41Å; L81-L133 HydrophobicContact CB-CB 4.37Å; L81-L133 HydrophobicContact CB-CD1 3.9Å; L81-Q136 HydrophobicContact CD1-CG 4.01Å
82	F	94.1	Very high	91.5	Very high	54 Å²	54	45.1 Å²	45.1	24%	0.237	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-51.5	177.2	175.9	-102.6	0	0	0	111.6	I78 V79 F80 A84 T85 L86 L133 F180	I78-F82 WeakPolarHBondContact O-CB 3.13Å; I78-F82 PolarHBondContact O-N 2.48Å; V79-F82 WeakPolarHBondContact O-CB 3.32Å; V79-F82 PolarHBondContact O-N 2.94Å; F80-F82 VanDerWaalsContact C-N 3.33Å; F80-F82 PolarHBondContact O-N 3.28Å; F82-A84 PolarHBondContact O-N 3.05Å; F82-T85 PolarHBondContact O-N 3.28Å; F82-L86 HydrophobicContact CD1-CD1 4.05Å; F82-L86 HydrophobicContact CE1-CD1 3.42Å; F82-L86 VanDerWaalsContact CE1-CD1 3.42Å; F82-L86 HydrophobicContact CE1-CG 4.36Å; F82-L86 HydrophobicContact CE2-CD1 4.22Å; F82-L86 HydrophobicContact CE2-CG 4.47Å; F82-L86 HydrophobicContact CZ-CD1 3.53Å; F82-L86 HydrophobicContact CZ-CG 4.24Å; F82-L86 WeakPolarHBondContact O-CG 3.21Å; F82-L86 PolarHBondContact O-N 3.45Å; F82-L133 HydrophobicContact CB-CD1 4.3Å; F82-L133 HydrophobicContact CB-CD2 4.42Å; F82-L133 HydrophobicContact CD2-CD2 4.31Å; F82-F180 HydrophobicContact CB-CZ 4.27Å; F82-F180 HydrophobicContact CD1-CE1 4.15Å; F82-F180 HydrophobicContact CD2-CE1 4.05Å; F82-F180 AromaticContact CD2-CZ 3.9Å; F82-F180 HydrophobicContact CD2-CZ 3.9Å; F82-F180 HydrophobicContact CE1-CE1 4.23Å; F82-F180 HydrophobicContact CE2-CE1 4.14Å; F82-F180 HydrophobicContact CE2-CZ 4.37Å; F82-F180 HydrophobicContact CG-CE1 4.04Å; F82-F180 AromaticContact CG-CZ 3.97Å; F82-F180 HydrophobicContact CG-CZ 3.97Å; F82-F180 HydrophobicContact CZ-CE1 4.21Å
83	W	93.6	Very high	92.3	Very high	128 Å²	128	49.3 Å²	49.3	49%	0.485	24%	0.243	S	C	.	.	H	α-helix	trans	-67.3	-35.3	177.8	-73	111.3	0	0	0	112.9	V79 F80 L86 G87 L181	V79-W83 PolarHBondContact O-N 3.18Å; F80-W83 PolarHBondContact O-N 3.21Å; W83-L86 HydrophobicContact CE3-CD1 4.05Å; W83-L86 HydrophobicContact CZ3-CD1 4.16Å; W83-L86 PolarHBondContact O-N 3.02Å; W83-G87 PolarHBondContact O-N 3.21Å; W83-L181 HydrophobicContact CH2-CD1 4.49Å; W83-L181 HydrophobicContact CZ2-CD1 3.98Å
84	A	93.5	Very high	92.7	Very high	38 Å²	38	51.6 Å²	51.6	31%	0.314	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-42.4	175	0	0	0	0	0	111.8	F80 L81 F82 G87 S88	F80-A84 VanDerWaalsContact O-CB 3.25Å; F80-A84 WeakPolarHBondContact O-CB 3.38Å; F80-A84 PolarHBondContact O-N 3.35Å; L81-A84 PolarHBondContact O-N 2.7Å; F82-A84 PolarHBondContact O-N 3.05Å; A84-G87 PolarHBondContact O-N 3.47Å; A84-S88 WeakPolarHBondContact O-CB 3.49Å; A84-S88 PolarHBondContact O-N 2.75Å
85	T	95.7	Very high	92.9	Very high	12 Å²	12	51.8 Å²	51.8	7%	0.074	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-43.6	174.8	-64.6	0	0	0	0	111.7	L81 F82 G87 S88 M89 S129 T130 L133	L81-T85 WeakPolarHBondContact O-CB 3.33Å; L81-T85 PolarHBondContact O-N 2.63Å; L81-T85 PolarHBondContact O-OG1 2.66Å; L81-T85 VanDerWaalsContact O-OG1 3.12Å; F82-T85 PolarHBondContact O-N 3.28Å; T85-G87 PolarHBondContact O-N 2.88Å; T85-S88 PolarHBondContact O-N 3.48Å; T85-S88 PolarHBondContact O-OG 3.31Å; T85-S88 VanDerWaalsContact O-OG 3.07Å; T85-M89 HydrophobicContact CG2-CE 4.45Å; T85-M89 HydrophobicContact CG2-CG 4.42Å; T85-M89 WeakPolarHBondContact O-CB 3.25Å; T85-M89 WeakPolarHBondContact O-CG 3.15Å; T85-M89 PolarHBondContact O-N 3.48Å; T85-S129 WeakPolarHBondContact OG1-CB 3.35Å; T85-S129 PolarHBondContact OG1-OG 3.33Å; T85-S129 VanDerWaalsContact OG1-OG 3.12Å; T85-T130 VanDerWaalsContact CG2-OG1 3.31Å; T85-T130 WeakPolarHBondContact CG2-OG1 3.35Å; T85-L133 HydrophobicContact CG2-CD2 4.46Å
86	L	95.6	Very high	93	Very high	77 Å²	77	57.2 Å²	57.2	40%	0.403	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-44	175.1	-73.3	-178.8	0	0	0	112	F82 W83 S88 M89 Y90	F82-L86 HydrophobicContact CD1-CD1 4.05Å; F82-L86 HydrophobicContact CE1-CD1 3.42Å; F82-L86 VanDerWaalsContact CE1-CD1 3.42Å; F82-L86 HydrophobicContact CE1-CG 4.36Å; F82-L86 HydrophobicContact CE2-CD1 4.22Å; F82-L86 HydrophobicContact CE2-CG 4.47Å; F82-L86 HydrophobicContact CZ-CD1 3.53Å; F82-L86 HydrophobicContact CZ-CG 4.24Å; F82-L86 WeakPolarHBondContact O-CG 3.21Å; F82-L86 PolarHBondContact O-N 3.45Å; W83-L86 HydrophobicContact CE3-CD1 4.05Å; W83-L86 HydrophobicContact CZ3-CD1 4.16Å; W83-L86 PolarHBondContact O-N 3.02Å; L86-S88 PolarHBondContact O-N 2.89Å; L86-M89 PolarHBondContact O-N 2.96Å; L86-Y90 WeakPolarHBondContact O-CB 3.43Å; L86-Y90 PolarHBondContact O-N 2.65Å
87	G	95.4	Very high	93.1	Very high	40 Å²	40	57.2 Å²	57.2	41%	0.412	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-41.1	177	0	0	0	0	0	112.6	W83 A84 T85 Y90 S91	W83-G87 PolarHBondContact O-N 3.21Å; A84-G87 PolarHBondContact O-N 3.47Å; T85-G87 PolarHBondContact O-N 2.88Å; G87-Y90 PolarHBondContact O-N 3.36Å; G87-S91 WeakPolarHBondContact O-CB 3.41Å; G87-S91 PolarHBondContact O-N 2.87Å
88	S	95.2	Very high	92.9	Very high	19 Å²	19	63.1 Å²	63.1	13%	0.133	31%	0.308	C	S	.	.	H	α-helix	trans	-69.9	-37.7	178.1	78.8	0	0	0	0	112.2	A84 T85 L86 S91 L92 T126	A84-S88 WeakPolarHBondContact O-CB 3.49Å; A84-S88 PolarHBondContact O-N 2.75Å; T85-S88 PolarHBondContact O-N 3.48Å; T85-S88 PolarHBondContact O-OG 3.31Å; T85-S88 VanDerWaalsContact O-OG 3.07Å; L86-S88 PolarHBondContact O-N 2.89Å; S88-S91 WeakPolarHBondContact O-CB 3.32Å; S88-S91 PolarHBondContact O-N 3.31Å; S88-L92 WeakPolarHBondContact O-CB 3.48Å; S88-L92 PolarHBondContact O-N 3.1Å; S88-T126 VanDerWaalsContact CB-OG1 3.23Å; S88-T126 WeakPolarHBondContact CB-OG1 3.3Å; S88-T126 PolarHBondContact O-OG1 2.89Å; S88-T126 WeakPolarHBondContact OG-CA 3.42Å; S88-T126 PolarHBondContact OG-OG1 3.13Å
89	M	95.9	Very high	92.5	Very high	84 Å²	84	66.1 Å²	66.1	41%	0.414	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-43	172.5	-70	-68.9	179.9	0	0	111.7	T85 L86 L92 F93 T126 T130	T85-M89 HydrophobicContact CG2-CE 4.45Å; T85-M89 HydrophobicContact CG2-CG 4.42Å; T85-M89 WeakPolarHBondContact O-CB 3.25Å; T85-M89 WeakPolarHBondContact O-CG 3.15Å; T85-M89 PolarHBondContact O-N 3.48Å; L86-M89 PolarHBondContact O-N 2.96Å; M89-L92 PolarHBondContact O-N 3.34Å; M89-F93 PolarHBondContact O-N 3.12Å; M89-T126 HydrophobicContact CE-CG2 3.2Å; M89-T126 HydrophobicContact CG-CG2 3.97Å; M89-T126 HydrophobicContact SD-CG2 3.28Å; M89-T126 WeakPolarHBondContact SD-CG2 3.35Å; M89-T130 WeakPolarHBondContact CE-OG1 3.43Å
90	Y	96.1	Very high	92.3	Very high	147 Å²	147	70 Å²	70	58%	0.576	34%	0.341	S	S	*	.	H	α-helix	trans	-63	-42.9	175.2	-179.4	-112.7	0	0	0	111.7	L86 G87 L92 F93 L94	L86-Y90 WeakPolarHBondContact O-CB 3.43Å; L86-Y90 PolarHBondContact O-N 2.65Å; G87-Y90 PolarHBondContact O-N 3.36Å; Y90-L92 VanDerWaalsContact C-N 3.33Å; Y90-L92 PolarHBondContact O-N 2.91Å; Y90-F93 WeakPolarHBondContact O-CB 3.19Å; Y90-F93 PolarHBondContact O-N 2.78Å; Y90-L94 HydrophobicContact CD1-CD1 4.08Å; Y90-L94 HydrophobicContact CE1-CD1 3.51Å; Y90-L94 HydrophobicContact CE1-CG 4.12Å; Y90-L94 HydrophobicContact CE2-CD1 4.49Å; Y90-L94 HydrophobicContact CE2-CD2 4.25Å; Y90-L94 HydrophobicContact CE2-CG 4.26Å; Y90-L94 WeakPolarHBondContact O-CG 3.48Å; Y90-L94 PolarHBondContact O-N 2.66Å
91	S	94.4	Very high	92	Very high	29 Å²	29	71.3 Å²	71.3	20%	0.203	35%	0.35	C	S	.	.	H	α-helix	trans	-58.8	-44	173.1	-170.8	0	0	0	0	111.7	G87 S88 F93 L94 V95 Y118	G87-S91 WeakPolarHBondContact O-CB 3.41Å; G87-S91 PolarHBondContact O-N 2.87Å; S88-S91 WeakPolarHBondContact O-CB 3.32Å; S88-S91 PolarHBondContact O-N 3.31Å; S91-F93 VanDerWaalsContact C-N 3.32Å; S91-F93 PolarHBondContact O-N 2.61Å; S91-L94 PolarHBondContact O-N 3.46Å; S91-V95 WeakPolarHBondContact O-CB 3.18Å; S91-V95 WeakPolarHBondContact O-CG2 3.42Å; S91-V95 PolarHBondContact O-N 3.12Å; S91-Y118 PolarHBondContact OG-OH 2.94Å; S91-Y118 VanDerWaalsContact OG-OH 3.13Å
92	L	92.9	Very high	91.4	Very high	50 Å²	50	71.5 Å²	71.5	26%	0.262	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-39.3	177.5	-174.3	64	0	0	0	111.7	S88 M89 Y90 V95 F96 V122 I123	S88-L92 WeakPolarHBondContact O-CB 3.48Å; S88-L92 PolarHBondContact O-N 3.1Å; M89-L92 PolarHBondContact O-N 3.34Å; Y90-L92 VanDerWaalsContact C-N 3.33Å; Y90-L92 PolarHBondContact O-N 2.91Å; L92-V95 PolarHBondContact O-N 3.42Å; L92-F96 WeakPolarHBondContact O-CB 3.2Å; L92-F96 PolarHBondContact O-N 2.81Å; L92-V122 HydrophobicContact CB-CG1 4.08Å; L92-V122 HydrophobicContact CD1-CG1 4.32Å; L92-I123 HydrophobicContact CD1-CD1 4.34Å; L92-I123 HydrophobicContact CD1-CG1 3.62Å
93	F	94	Very high	90.8	Very high	114 Å²	114	75.1 Å²	75.1	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-46.7	175.7	176	-108.7	0	0	0	112.3	M89 Y90 S91 V95 F96 L97	M89-F93 PolarHBondContact O-N 3.12Å; Y90-F93 WeakPolarHBondContact O-CB 3.19Å; Y90-F93 PolarHBondContact O-N 2.78Å; S91-F93 VanDerWaalsContact C-N 3.32Å; S91-F93 PolarHBondContact O-N 2.61Å; F93-V95 VanDerWaalsContact C-N 3.32Å; F93-V95 PolarHBondContact O-N 2.98Å; F93-F96 WeakPolarHBondContact O-CB 3.35Å; F93-F96 PolarHBondContact O-N 3.41Å; F93-L97 HydrophobicContact CD1-CD1 4.18Å; F93-L97 HydrophobicContact CE1-CD1 3.57Å; F93-L97 HydrophobicContact CE1-CG 4.27Å; F93-L97 HydrophobicContact CE2-CD1 4.4Å; F93-L97 HydrophobicContact CE2-CD2 4.3Å; F93-L97 HydrophobicContact CE2-CG 4.29Å; F93-L97 HydrophobicContact CZ-CD1 3.7Å; F93-L97 HydrophobicContact CZ-CD2 4.19Å; F93-L97 HydrophobicContact CZ-CG 4.08Å; F93-L97 WeakPolarHBondContact O-CG 3.16Å; F93-L97 PolarHBondContact O-N 3.4Å
94	L	92.4	Very high	90.4	Very high	79 Å²	79	78.1 Å²	78.1	41%	0.414	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-41.3	176.6	-69	-178.1	0	0	0	112.2	Y90 S91 L97 Y98	Y90-L94 HydrophobicContact CD1-CD1 4.08Å; Y90-L94 HydrophobicContact CE1-CD1 3.51Å; Y90-L94 HydrophobicContact CE1-CG 4.12Å; Y90-L94 HydrophobicContact CE2-CD1 4.49Å; Y90-L94 HydrophobicContact CE2-CD2 4.25Å; Y90-L94 HydrophobicContact CE2-CG 4.26Å; Y90-L94 WeakPolarHBondContact O-CG 3.48Å; Y90-L94 PolarHBondContact O-N 2.66Å; S91-L94 PolarHBondContact O-N 3.46Å; L94-L97 PolarHBondContact O-N 3.1Å; L94-Y98 PolarHBondContact O-N 3.36Å
95	V	88.8	Confident	89.8	Confident	18 Å²	18	81.5 Å²	81.5	11%	0.109	40%	0.395	C	S	.	.	H	α-helix	trans	-62.1	-45.5	175.2	170	0	0	0	0	110.5	S91 L92 F93 L97 Y98 F99 Y118 V119	S91-V95 WeakPolarHBondContact O-CB 3.18Å; S91-V95 WeakPolarHBondContact O-CG2 3.42Å; S91-V95 PolarHBondContact O-N 3.12Å; L92-V95 PolarHBondContact O-N 3.42Å; F93-V95 VanDerWaalsContact C-N 3.32Å; F93-V95 PolarHBondContact O-N 2.98Å; V95-L97 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 3.16Å; V95-Y98 WeakPolarHBondContact O-CB 3.47Å; V95-Y98 PolarHBondContact O-N 2.81Å; V95-Y98 VanDerWaalsContact O-N 3.15Å; V95-F99 HydrophobicContact CG1-CD2 3.71Å; V95-F99 HydrophobicContact CG1-CE2 3.65Å; V95-F99 VanDerWaalsContact O-CD2 3.28Å; V95-F99 WeakPolarHBondContact O-CD2 3.31Å; V95-F99 PolarHBondContact O-N 3.23Å; V95-Y118 HydrophobicContact CG2-CD1 4.08Å; V95-Y118 HydrophobicContact CG2-CE1 3.47Å; V95-Y118 VanDerWaalsContact CG2-CE1 3.47Å; V95-V119 HydrophobicContact CG1-CG2 3.45Å; V95-V119 VanDerWaalsContact CG1-CG2 3.45Å
96	F	88.7	Confident	88.7	Confident	124 Å²	124	86.2 Å²	86.2	54%	0.544	43%	0.428	S	S	.	.	H	α-helix	trans	-57.2	-45.6	175.7	176.3	-103.1	0	0	0	112.1	L92 F93 Y98 F99 I100	L92-F96 WeakPolarHBondContact O-CB 3.2Å; L92-F96 PolarHBondContact O-N 2.81Å; F93-F96 WeakPolarHBondContact O-CB 3.35Å; F93-F96 PolarHBondContact O-N 3.41Å; F96-Y98 VanDerWaalsContact C-N 3.34Å; F96-Y98 PolarHBondContact O-N 3.16Å; F96-F99 PolarHBondContact O-N 3.21Å; F96-I100 HydrophobicContact CE1-CG1 4.16Å; F96-I100 HydrophobicContact CE2-CD1 4.26Å; F96-I100 HydrophobicContact CE2-CG1 4.39Å; F96-I100 HydrophobicContact CZ-CD1 4.04Å; F96-I100 HydrophobicContact CZ-CG1 4.06Å; F96-I100 WeakPolarHBondContact O-CG1 3.32Å; F96-I100 PolarHBondContact O-N 3.5Å; F96-I100 VanDerWaalsContact O-N 3.1Å
97	L	90	Very high	87.3	Confident	76 Å²	76	89.4 Å²	89.4	40%	0.398	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-42.8	175	-67.3	179.8	0	0	0	112.3	F93 L94 V95 F99 I100 M101	F93-L97 HydrophobicContact CD1-CD1 4.18Å; F93-L97 HydrophobicContact CE1-CD1 3.57Å; F93-L97 HydrophobicContact CE1-CG 4.27Å; F93-L97 HydrophobicContact CE2-CD1 4.4Å; F93-L97 HydrophobicContact CE2-CD2 4.3Å; F93-L97 HydrophobicContact CE2-CG 4.29Å; F93-L97 HydrophobicContact CZ-CD1 3.7Å; F93-L97 HydrophobicContact CZ-CD2 4.19Å; F93-L97 HydrophobicContact CZ-CG 4.08Å; F93-L97 WeakPolarHBondContact O-CG 3.16Å; F93-L97 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 3.1Å; V95-L97 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 3.16Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-F99 PolarHBondContact O-N 2.81Å; L97-I100 PolarHBondContact O-N 2.81Å; L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 3.11Å; L97-M101 VanDerWaalsContact O-N 3.14Å
98	Y	85.7	Confident	85.7	Confident	130 Å²	130	90.9 Å²	90.9	51%	0.51	45%	0.447	S	S	.	.	H	α-helix	trans	-59.6	-43.3	175.4	174.2	-94.5	0	0	0	112	L94 V95 F96 I100 M101 A102	L94-Y98 PolarHBondContact O-N 3.36Å; V95-Y98 WeakPolarHBondContact O-CB 3.47Å; V95-Y98 PolarHBondContact O-N 2.81Å; V95-Y98 VanDerWaalsContact O-N 3.15Å; F96-Y98 VanDerWaalsContact C-N 3.34Å; F96-Y98 PolarHBondContact O-N 3.16Å; Y98-I100 PolarHBondContact O-N 3.39Å; Y98-M101 PolarHBondContact O-N 3.17Å; Y98-A102 HydrophobicContact CE1-CB 4.41Å; Y98-A102 WeakPolarHBondContact O-CB 3.11Å; Y98-A102 PolarHBondContact O-N 3.42Å
99	F	84.3	Confident	84.2	Confident	64 Å²	64	96.3 Å²	96.3	28%	0.281	47%	0.474	S	S	.	.	H	α-helix	trans	-62.3	-41	176.9	-89.9	-81.3	0	0	0	112.7	V95 F96 L97 M101 A102 I103 C115 V119	V95-F99 HydrophobicContact CG1-CD2 3.71Å; V95-F99 HydrophobicContact CG1-CE2 3.65Å; V95-F99 VanDerWaalsContact O-CD2 3.28Å; V95-F99 WeakPolarHBondContact O-CD2 3.31Å; V95-F99 PolarHBondContact O-N 3.23Å; F96-F99 PolarHBondContact O-N 3.21Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-F99 PolarHBondContact O-N 2.81Å; F99-M101 VanDerWaalsContact C-N 3.33Å; F99-M101 PolarHBondContact O-N 3.15Å; F99-A102 PolarHBondContact O-N 2.84Å; F99-I103 WeakPolarHBondContact O-CB 3.24Å; F99-I103 VanDerWaalsContact O-CG1 3.24Å; F99-I103 WeakPolarHBondContact O-CG1 3.18Å; F99-I103 PolarHBondContact O-N 2.71Å; F99-C115 HydrophobicContact CZ-CB 4.1Å; F99-V119 HydrophobicContact CD2-CG2 4.25Å; F99-V119 HydrophobicContact CE2-CG2 3.22Å; F99-V119 HydrophobicContact CZ-CG2 3.68Å
100	I	86	Confident	82.8	Confident	87 Å²	87	101.1 Å²	101.1	45%	0.446	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-43.8	176.3	-64.5	-61.1	0	0	0	111.1	F96 L97 Y98 Y104	F96-I100 HydrophobicContact CE1-CG1 4.16Å; F96-I100 HydrophobicContact CE2-CD1 4.26Å; F96-I100 HydrophobicContact CE2-CG1 4.39Å; F96-I100 HydrophobicContact CZ-CD1 4.04Å; F96-I100 HydrophobicContact CZ-CG1 4.06Å; F96-I100 WeakPolarHBondContact O-CG1 3.32Å; F96-I100 PolarHBondContact O-N 3.5Å; F96-I100 VanDerWaalsContact O-N 3.1Å; L97-I100 PolarHBondContact O-N 2.81Å; Y98-I100 PolarHBondContact O-N 3.39Å; I100-Y104 PolarHBondContact O-N 3.15Å
101	M	85.5	Confident	81.6	Confident	117 Å²	117	100.1 Å²	100.1	58%	0.576	49%	0.493	S	S	*	.	H	α-helix	trans	-66.7	-42	177.2	-63.8	-60	-63.4	0	0	112.2	L97 Y98 F99 I103 Y104 E105	L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 3.11Å; L97-M101 VanDerWaalsContact O-N 3.14Å; Y98-M101 PolarHBondContact O-N 3.17Å; F99-M101 VanDerWaalsContact C-N 3.33Å; F99-M101 PolarHBondContact O-N 3.15Å; M101-I103 PolarHBondContact O-N 2.81Å; M101-Y104 PolarHBondContact O-N 3.47Å; M101-E105 PolarHBondContact O-N 3.21Å; M101-E105 VanDerWaalsContact O-N 3.09Å
102	A	82.7	Confident	80.7	Confident	14 Å²	14	103.5 Å²	103.5	12%	0.116	51%	0.505	C	S	.	.	H	α-helix	trans	-65.2	-38.4	179.6	0	0	0	0	0	112.7	Y98 F99 Y104 E105 S106 M107	Y98-A102 HydrophobicContact CE1-CB 4.41Å; Y98-A102 WeakPolarHBondContact O-CB 3.11Å; Y98-A102 PolarHBondContact O-N 3.42Å; F99-A102 PolarHBondContact O-N 2.84Å; A102-Y104 VanDerWaalsContact C-N 3.32Å; A102-E105 PolarHBondContact O-N 2.76Å; A102-S106 PolarHBondContact O-N 3.47Å; A102-M107 PolarHBondContact O-N 2.79Å
103	I	81.2	Confident	80.2	Confident	130 Å²	130	107.2 Å²	107.2	67%	0.667	52%	0.524	S	S	*	.	H	α-helix	trans	-63.1	-40.5	173.8	-70.1	166.2	0	0	0	110.6	F99 M101	F99-I103 WeakPolarHBondContact O-CB 3.24Å; F99-I103 VanDerWaalsContact O-CG1 3.24Å; F99-I103 WeakPolarHBondContact O-CG1 3.18Å; F99-I103 PolarHBondContact O-N 2.71Å; M101-I103 PolarHBondContact O-N 2.81Å
104	Y	84.8	Confident	79.7	Confident	192 Å²	192	107.3 Å²	107.3	75%	0.753	53%	0.53	S	S	*	.	H	α-helix	trans	-65.5	-42.1	179.6	-172.4	-99.5	0	0	0	112.5	I100 M101 A102	I100-Y104 PolarHBondContact O-N 3.15Å; M101-Y104 PolarHBondContact O-N 3.47Å; A102-Y104 VanDerWaalsContact C-N 3.32Å
105	E	81.4	Confident	79.3	Confident	108 Å²	108	105.1 Å²	105.1	51%	0.505	52%	0.52	S	S	.	.	H	α-helix	trans	-87.8	-0.1	-175.3	-66.7	-66.6	164.9	0	0	114	M101 A102 M107	M101-E105 PolarHBondContact O-N 3.21Å; M101-E105 VanDerWaalsContact O-N 3.09Å; A102-E105 PolarHBondContact O-N 2.76Å; E105-M107 HydrophobicContact CB-CB 4.38Å; E105-M107 HydrophobicContact CB-CG 3.61Å; E105-M107 WeakPolarHBondContact O-CG 3.35Å; E105-M107 PolarHBondContact O-N 2.78Å; E105-M107 VanDerWaalsContact O-N 3.11Å
106	S	72.2	Confident	79.1	Confident	111 Å²	111	108.4 Å²	108.4	78%	0.776	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	24.8	-173.7	65.9	0	0	0	0	114.8	A102 C108	A102-S106 PolarHBondContact O-N 3.47Å; S106-C108 VanDerWaalsContact C-N 3.29Å; S106-C108 PolarHBondContact O-N 3Å
107	M	65.3	Low	79.1	Confident	144 Å²	144	107 Å²	107	71%	0.709	54%	0.538	S	S	*	.			trans	-87.2	59.7	-175.1	-66.2	-76.2	-102.1	0	0	111.3	A102 E105	A102-M107 PolarHBondContact O-N 2.79Å; E105-M107 HydrophobicContact CB-CB 4.38Å; E105-M107 HydrophobicContact CB-CG 3.61Å; E105-M107 WeakPolarHBondContact O-CG 3.35Å; E105-M107 PolarHBondContact O-N 2.78Å; E105-M107 VanDerWaalsContact O-N 3.11Å
108	C	61.4	Low	79.1	Confident	72 Å²	72	109 Å²	109	49%	0.486	54%	0.541	S	S	.	.			trans	-117.6	76.1	-179.5	-129.3	0	0	0	0	109.5	S106 E112	S106-C108 VanDerWaalsContact C-N 3.29Å; S106-C108 PolarHBondContact O-N 3Å; C108-E112 HydrophobicContact CB-CG 4.38Å; C108-E112 WeakPolarHBondContact CB-OE1 3.4Å; C108-E112 VanDerWaalsContact SG-CG 3.53Å; C108-E112 PolarHBondContact SG-OE1 3.42Å
109	D	65	Low	79.3	Confident	133 Å²	133	104.1 Å²	104.1	71%	0.711	53%	0.525	S	S	*	.	S	Bend	trans	-132.4	121.6	175.8	-141.6	-21.6	0	0	0	109.5	H111	D109-H111 VanDerWaalsContact C-N 3.32Å; D109-H111 PolarHBondContact O-N 3.23Å
110	K	65.3	Low	79.7	Confident	185 Å²	185	103.6 Å²	103.6	80%	0.804	53%	0.529	S	S	*	.	S	Bend	trans	68.3	-29.8	176.3	-56.8	177.1	-173	171.3	0	119.7	E112	K110-E112 VanDerWaalsContact C-N 3.33Å; K110-E112 PolarHBondContact O-N 3.29Å
111	H	70.9	Confident	80	Confident	126 Å²	126	104.2 Å²	104.2	58%	0.583	53%	0.532	S	S	*	.			trans	-83.9	-3.9	-179.9	-72.6	-70.4	0	0	0	114.9	D109 I113 L114 C115	D109-H111 VanDerWaalsContact C-N 3.32Å; D109-H111 PolarHBondContact O-N 3.23Å; H111-I113 PolarHBondContact O-N 2.88Å; H111-L114 PolarHBondContact O-N 3.18Å; H111-C115 WeakPolarHBondContact O-CB 3.43Å; H111-C115 PolarHBondContact O-N 3.17Å; H111-C115 PolarHBondContact O-SG 3.3Å
112	E	77.3	Confident	80.4	Confident	99 Å²	99	99.2 Å²	99.2	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-54.1	-50.6	-173	-58.8	-169.1	152.9	0	0	113.7	C108 K110 L114 C115 V116	C108-E112 HydrophobicContact CB-CG 4.38Å; C108-E112 WeakPolarHBondContact CB-OE1 3.4Å; C108-E112 VanDerWaalsContact SG-CG 3.53Å; C108-E112 PolarHBondContact SG-OE1 3.42Å; K110-E112 VanDerWaalsContact C-N 3.33Å; K110-E112 PolarHBondContact O-N 3.29Å; E112-L114 PolarHBondContact O-N 3.31Å; E112-C115 PolarHBondContact O-N 2.84Å; E112-V116 WeakPolarHBondContact O-CB 3.15Å; E112-V116 VanDerWaalsContact O-CG2 3.29Å; E112-V116 WeakPolarHBondContact O-CG2 3.35Å; E112-V116 PolarHBondContact O-N 3.27Å
113	I	82	Confident	80.9	Confident	128 Å²	128	101.3 Å²	101.3	66%	0.656	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-45	-176.2	-60.9	175.4	0	0	0	110.3	H111 V116 L117	H111-I113 PolarHBondContact O-N 2.88Å; I113-V116 PolarHBondContact O-N 3.13Å; I113-L117 HydrophobicContact CG2-CD1 3.95Å; I113-L117 HydrophobicContact CG2-CG 4.34Å; I113-L117 WeakPolarHBondContact O-CB 3.27Å; I113-L117 VanDerWaalsContact O-CG 3.22Å; I113-L117 WeakPolarHBondContact O-CG 3.22Å; I113-L117 PolarHBondContact O-N 3.12Å
114	L	83.7	Confident	81.6	Confident	117 Å²	117	99.3 Å²	99.3	61%	0.613	51%	0.513	S	S	*	.	H	α-helix	trans	-65.2	-40.4	178.5	-69.7	175.2	0	0	0	111.5	H111 E112 Y118	H111-L114 PolarHBondContact O-N 3.18Å; E112-L114 PolarHBondContact O-N 3.31Å; L114-Y118 VanDerWaalsContact O-CB 3.29Å; L114-Y118 WeakPolarHBondContact O-CB 3.47Å; L114-Y118 PolarHBondContact O-N 3.06Å
115	C	83.4	Confident	82.1	Confident	32 Å²	32	93.6 Å²	93.6	22%	0.216	50%	0.501	C	S	.	.	H	α-helix	trans	-62.9	-46.9	175.4	-70.7	0	0	0	0	111.7	F99 H111 E112 Y118 V119	F99-C115 HydrophobicContact CZ-CB 4.1Å; H111-C115 WeakPolarHBondContact O-CB 3.43Å; H111-C115 PolarHBondContact O-N 3.17Å; H111-C115 PolarHBondContact O-SG 3.3Å; E112-C115 PolarHBondContact O-N 2.84Å; C115-Y118 PolarHBondContact O-N 3.37Å; C115-V119 WeakPolarHBondContact O-CB 3.48Å; C115-V119 WeakPolarHBondContact O-CG2 3.38Å; C115-V119 PolarHBondContact O-N 3.33Å
116	V	84.8	Confident	82.7	Confident	88 Å²	88	88.6 Å²	88.6	53%	0.533	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-43.7	178.2	171.7	0	0	0	0	111	E112 I113 V119 S120	E112-V116 WeakPolarHBondContact O-CB 3.15Å; E112-V116 VanDerWaalsContact O-CG2 3.29Å; E112-V116 WeakPolarHBondContact O-CG2 3.35Å; E112-V116 PolarHBondContact O-N 3.27Å; I113-V116 PolarHBondContact O-N 3.13Å; V116-V119 PolarHBondContact O-N 2.96Å; V116-S120 WeakPolarHBondContact O-CB 3.37Å; V116-S120 PolarHBondContact O-N 3.12Å; V116-S120 PolarHBondContact O-OG 3.5Å
117	L	89.2	Confident	83.9	Confident	93 Å²	93	90.4 Å²	90.4	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-61.2	-47.8	175.3	-71.9	175.1	0	0	0	111	I113 V119 S120 I121	I113-L117 HydrophobicContact CG2-CD1 3.95Å; I113-L117 HydrophobicContact CG2-CG 4.34Å; I113-L117 WeakPolarHBondContact O-CB 3.27Å; I113-L117 VanDerWaalsContact O-CG 3.22Å; I113-L117 WeakPolarHBondContact O-CG 3.22Å; I113-L117 PolarHBondContact O-N 3.12Å; L117-V119 PolarHBondContact O-N 3.22Å; L117-S120 PolarHBondContact O-N 3.22Å; L117-S120 PolarHBondContact O-OG 3.18Å; L117-I121 VanDerWaalsContact O-CG1 3.32Å; L117-I121 WeakPolarHBondContact O-CG1 3Å; L117-I121 PolarHBondContact O-N 3.25Å
118	Y	89.5	Confident	85.3	Confident	118 Å²	118	85.4 Å²	85.4	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-58.8	-47.5	176.7	177.7	-110.9	0	0	0	112.2	S91 V95 L114 C115 S120 I121 V122	S91-Y118 PolarHBondContact OG-OH 2.94Å; S91-Y118 VanDerWaalsContact OG-OH 3.13Å; V95-Y118 HydrophobicContact CG2-CD1 4.08Å; V95-Y118 HydrophobicContact CG2-CE1 3.47Å; V95-Y118 VanDerWaalsContact CG2-CE1 3.47Å; L114-Y118 VanDerWaalsContact O-CB 3.29Å; L114-Y118 WeakPolarHBondContact O-CB 3.47Å; L114-Y118 PolarHBondContact O-N 3.06Å; C115-Y118 PolarHBondContact O-N 3.37Å; Y118-S120 VanDerWaalsContact C-N 3.34Å; Y118-S120 PolarHBondContact O-N 2.75Å; Y118-I121 PolarHBondContact O-N 2.86Å; Y118-V122 HydrophobicContact CD1-CG2 4.39Å; Y118-V122 HydrophobicContact CD2-CG2 4.17Å; Y118-V122 HydrophobicContact CE1-CG2 4.02Å; Y118-V122 HydrophobicContact CE2-CG2 3.76Å; Y118-V122 HydrophobicContact CG-CG2 4.46Å; Y118-V122 WeakPolarHBondContact O-CG2 3.25Å; Y118-V122 PolarHBondContact O-N 3.09Å
119	V	90.1	Very high	86.9	Confident	29 Å²	29	83 Å²	83	18%	0.176	44%	0.442	C	S	.	.	H	α-helix	trans	-57.4	-47.7	175.7	173.9	0	0	0	0	110.9	V95 F99 C115 V116 L117 I121 V122 I123	V95-V119 HydrophobicContact CG1-CG2 3.45Å; V95-V119 VanDerWaalsContact CG1-CG2 3.45Å; F99-V119 HydrophobicContact CD2-CG2 4.25Å; F99-V119 HydrophobicContact CE2-CG2 3.22Å; F99-V119 HydrophobicContact CZ-CG2 3.68Å; C115-V119 WeakPolarHBondContact O-CB 3.48Å; C115-V119 WeakPolarHBondContact O-CG2 3.38Å; C115-V119 PolarHBondContact O-N 3.33Å; V116-V119 PolarHBondContact O-N 2.96Å; L117-V119 PolarHBondContact O-N 3.22Å; V119-I121 VanDerWaalsContact C-N 3.31Å; V119-I121 PolarHBondContact O-N 3.21Å; V119-V122 PolarHBondContact O-N 2.99Å; V119-I123 HydrophobicContact CG1-CD1 3.58Å; V119-I123 HydrophobicContact CG1-CG1 4.22Å; V119-I123 WeakPolarHBondContact O-CB 3.41Å; V119-I123 VanDerWaalsContact O-CG1 3.24Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 2.94Å
120	S	91.5	Very high	88.4	Confident	52 Å²	52	78.7 Å²	78.7	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-40.5	-179.4	73.4	0	0	0	0	111.9	V116 L117 Y118 C124	V116-S120 WeakPolarHBondContact O-CB 3.37Å; V116-S120 PolarHBondContact O-N 3.12Å; V116-S120 PolarHBondContact O-OG 3.5Å; L117-S120 PolarHBondContact O-N 3.22Å; L117-S120 PolarHBondContact O-OG 3.18Å; Y118-S120 VanDerWaalsContact C-N 3.34Å; Y118-S120 PolarHBondContact O-N 2.75Å; S120-C124 WeakPolarHBondContact O-CB 3.4Å; S120-C124 PolarHBondContact O-N 3.22Å; S120-C124 PolarHBondContact O-SG 3.43Å
121	I	93.3	Very high	89.9	Confident	100 Å²	100	79.1 Å²	79.1	51%	0.513	42%	0.416	S	S	.	.	H	α-helix	trans	-64.8	-48.6	175.6	-68.3	166.7	0	0	0	110.2	L117 Y118 V119 I123 C124 C125	L117-I121 VanDerWaalsContact O-CG1 3.32Å; L117-I121 WeakPolarHBondContact O-CG1 3Å; L117-I121 PolarHBondContact O-N 3.25Å; Y118-I121 PolarHBondContact O-N 2.86Å; V119-I121 VanDerWaalsContact C-N 3.31Å; V119-I121 PolarHBondContact O-N 3.21Å; I121-I123 VanDerWaalsContact C-N 3.32Å; I121-I123 PolarHBondContact O-N 3.33Å; I121-C124 PolarHBondContact O-N 2.83Å; I121-C125 WeakPolarHBondContact O-CB 3.44Å; I121-C125 PolarHBondContact O-N 3.15Å; I121-C125 PolarHBondContact O-SG 3.42Å
122	V	93	Very high	91	Very high	13 Å²	13	76.3 Å²	76.3	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-61.3	-42.2	180	172.6	0	0	0	0	111	L92 Y118 V119 C125 T126	L92-V122 HydrophobicContact CB-CG1 4.08Å; L92-V122 HydrophobicContact CD1-CG1 4.32Å; Y118-V122 HydrophobicContact CD1-CG2 4.39Å; Y118-V122 HydrophobicContact CD2-CG2 4.17Å; Y118-V122 HydrophobicContact CE1-CG2 4.02Å; Y118-V122 HydrophobicContact CE2-CG2 3.76Å; Y118-V122 HydrophobicContact CG-CG2 4.46Å; Y118-V122 WeakPolarHBondContact O-CG2 3.25Å; Y118-V122 PolarHBondContact O-N 3.09Å; V119-V122 PolarHBondContact O-N 2.99Å; V122-C125 PolarHBondContact O-N 3.47Å; V122-T126 WeakPolarHBondContact O-CB 3.41Å; V122-T126 PolarHBondContact O-N 3.05Å; V122-T126 PolarHBondContact O-OG1 3.15Å
123	I	94.5	Very high	91.8	Very high	58 Å²	58	72.5 Å²	72.5	30%	0.297	39%	0.386	S	S	.	.	H	α-helix	trans	-60.5	-51.8	175.1	-72.9	175.2	0	0	0	110.4	L92 V119 I121 C125 T126 F127	L92-I123 HydrophobicContact CD1-CD1 4.34Å; L92-I123 HydrophobicContact CD1-CG1 3.62Å; V119-I123 HydrophobicContact CG1-CD1 3.58Å; V119-I123 HydrophobicContact CG1-CG1 4.22Å; V119-I123 WeakPolarHBondContact O-CB 3.41Å; V119-I123 VanDerWaalsContact O-CG1 3.24Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 2.94Å; I121-I123 VanDerWaalsContact C-N 3.32Å; I121-I123 PolarHBondContact O-N 3.33Å; I123-C125 PolarHBondContact O-N 3.3Å; I123-T126 PolarHBondContact O-N 3.42Å; I123-T126 VanDerWaalsContact O-N 3.16Å; I123-F127 HydrophobicContact CG2-CD2 3.56Å; I123-F127 HydrophobicContact CG2-CE2 3.55Å; I123-F127 VanDerWaalsContact O-CD2 3.25Å; I123-F127 WeakPolarHBondContact O-CD2 3.48Å; I123-F127 PolarHBondContact O-N 3.35Å
124	C	95.5	Very high	92.4	Very high	88 Å²	88	70.7 Å²	70.7	60%	0.595	38%	0.38	S	S	*	.	H	α-helix	trans	-59	-45.1	178.5	-75.3	0	0	0	0	112.3	S120 I121 T126 G128	S120-C124 WeakPolarHBondContact O-CB 3.4Å; S120-C124 PolarHBondContact O-N 3.22Å; S120-C124 PolarHBondContact O-SG 3.43Å; I121-C124 PolarHBondContact O-N 2.83Å; C124-T126 VanDerWaalsContact C-N 3.32Å; C124-T126 PolarHBondContact O-N 2.66Å; C124-G128 PolarHBondContact O-N 2.95Å
125	C	93.8	Very high	92.9	Very high	72 Å²	72	69.6 Å²	69.6	49%	0.486	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-37.4	176.4	-71.5	0	0	0	0	112.1	I121 V122 I123 S129	I121-C125 WeakPolarHBondContact O-CB 3.44Å; I121-C125 PolarHBondContact O-N 3.15Å; I121-C125 PolarHBondContact O-SG 3.42Å; V122-C125 PolarHBondContact O-N 3.47Å; I123-C125 PolarHBondContact O-N 3.3Å; C125-S129 VanDerWaalsContact O-CB 3.22Å; C125-S129 WeakPolarHBondContact O-CB 3.49Å; C125-S129 PolarHBondContact O-N 2.93Å; C125-S129 PolarHBondContact O-OG 3.43Å
126	T	95.7	Very high	93.3	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-68.1	-48.7	179	-63.2	0	0	0	0	111.3	S88 M89 V122 I123 C124 S129 T130	S88-T126 VanDerWaalsContact CB-OG1 3.23Å; S88-T126 WeakPolarHBondContact CB-OG1 3.3Å; S88-T126 PolarHBondContact O-OG1 2.89Å; S88-T126 WeakPolarHBondContact OG-CA 3.42Å; S88-T126 PolarHBondContact OG-OG1 3.13Å; M89-T126 HydrophobicContact CE-CG2 3.2Å; M89-T126 HydrophobicContact CG-CG2 3.97Å; M89-T126 HydrophobicContact SD-CG2 3.28Å; M89-T126 WeakPolarHBondContact SD-CG2 3.35Å; V122-T126 WeakPolarHBondContact O-CB 3.41Å; V122-T126 PolarHBondContact O-N 3.05Å; V122-T126 PolarHBondContact O-OG1 3.15Å; I123-T126 PolarHBondContact O-N 3.42Å; I123-T126 VanDerWaalsContact O-N 3.16Å; C124-T126 VanDerWaalsContact C-N 3.32Å; C124-T126 PolarHBondContact O-N 2.66Å; T126-S129 PolarHBondContact O-OG 2.86Å; T126-S129 VanDerWaalsContact O-OG 3.13Å; T126-T130 VanDerWaalsContact O-CB 3.26Å; T126-T130 WeakPolarHBondContact O-CB 3.45Å; T126-T130 PolarHBondContact O-N 3.47Å; T126-T130 PolarHBondContact O-OG1 2.98Å
127	F	96.2	Very high	93.6	Very high	148 Å²	148	66.3 Å²	66.3	65%	0.649	35%	0.349	S	S	*	.	H	α-helix	trans	-64.7	-43.3	175.7	-78.1	-66.7	0	0	0	112	I123 T130 W131	I123-F127 HydrophobicContact CG2-CD2 3.56Å; I123-F127 HydrophobicContact CG2-CE2 3.55Å; I123-F127 VanDerWaalsContact O-CD2 3.25Å; I123-F127 WeakPolarHBondContact O-CD2 3.48Å; I123-F127 PolarHBondContact O-N 3.35Å; F127-T130 PolarHBondContact O-N 3.3Å; F127-W131 VanDerWaalsContact O-CB 3.28Å; F127-W131 WeakPolarHBondContact O-CB 3.43Å; F127-W131 PolarHBondContact O-N 2.95Å
128	G	95.8	Very high	93.7	Very high	40 Å²	40	63.6 Å²	63.6	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-47	178.5	0	0	0	0	0	113	C124 F132	C124-G128 PolarHBondContact O-N 2.95Å; G128-F132 WeakPolarHBondContact O-CB 3.31Å; G128-F132 PolarHBondContact O-N 3.27Å; G128-F132 VanDerWaalsContact O-N 3.07Å
129	S	94.8	Very high	93.6	Very high	22 Å²	22	59.1 Å²	59.1	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-66.3	-42.3	177.3	64	0	0	0	0	111.8	T85 C125 T126 F132 L133	T85-S129 WeakPolarHBondContact OG1-CB 3.35Å; T85-S129 PolarHBondContact OG1-OG 3.33Å; T85-S129 VanDerWaalsContact OG1-OG 3.12Å; C125-S129 VanDerWaalsContact O-CB 3.22Å; C125-S129 WeakPolarHBondContact O-CB 3.49Å; C125-S129 PolarHBondContact O-N 2.93Å; C125-S129 PolarHBondContact O-OG 3.43Å; T126-S129 PolarHBondContact O-OG 2.86Å; T126-S129 VanDerWaalsContact O-OG 3.13Å; S129-F132 PolarHBondContact O-N 3.4Å; S129-L133 VanDerWaalsContact O-CB 3.28Å; S129-L133 WeakPolarHBondContact O-CB 2.96Å; S129-L133 PolarHBondContact O-N 3.44Å
130	T	96.5	Very high	93.4	Very high	42 Å²	42	58 Å²	58	26%	0.258	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-48.9	177.5	-56.7	0	0	0	0	111.4	T85 M89 T126 F127 F132 L133 V134	T85-T130 VanDerWaalsContact CG2-OG1 3.31Å; T85-T130 WeakPolarHBondContact CG2-OG1 3.35Å; M89-T130 WeakPolarHBondContact CE-OG1 3.43Å; T126-T130 VanDerWaalsContact O-CB 3.26Å; T126-T130 WeakPolarHBondContact O-CB 3.45Å; T126-T130 PolarHBondContact O-N 3.47Å; T126-T130 PolarHBondContact O-OG1 2.98Å; F127-T130 PolarHBondContact O-N 3.3Å; T130-F132 VanDerWaalsContact C-N 3.31Å; T130-F132 PolarHBondContact O-N 3.06Å; T130-L133 PolarHBondContact O-N 2.91Å; T130-V134 HydrophobicContact CG2-CG2 4.46Å; T130-V134 WeakPolarHBondContact O-CB 3.23Å; T130-V134 VanDerWaalsContact O-CG2 3.29Å; T130-V134 WeakPolarHBondContact O-CG2 3.32Å; T130-V134 PolarHBondContact O-N 3.39Å
131	W	96	Very high	93.2	Very high	193 Å²	193	58.5 Å²	58.5	73%	0.731	32%	0.317	S	S	*	.	H	α-helix	trans	-56.2	-47.5	177	170.6	-98.1	0	0	0	111.4	F127 V134 Y135	F127-W131 VanDerWaalsContact O-CB 3.28Å; F127-W131 WeakPolarHBondContact O-CB 3.43Å; F127-W131 PolarHBondContact O-N 2.95Å; W131-V134 PolarHBondContact O-N 3.01Å; W131-Y135 WeakPolarHBondContact O-CB 3.43Å; W131-Y135 PolarHBondContact O-N 3.26Å
132	F	94.1	Very high	92.8	Very high	67 Å²	67	59.7 Å²	59.7	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-71.2	-37.1	-177.1	-172.7	-117.8	0	0	0	112.7	F77 L81 G128 S129 T130 Y135 Q136	F77-F132 AromaticContact CE1-CE1 3.49Å; F77-F132 HydrophobicContact CE1-CE1 3.49Å; F77-F132 VanDerWaalsContact CE1-CE1 3.49Å; F77-F132 AromaticContact CE1-CZ 3.84Å; F77-F132 HydrophobicContact CE1-CZ 3.84Å; F77-F132 AromaticContact CZ-CE1 3.48Å; F77-F132 HydrophobicContact CZ-CE1 3.48Å; F77-F132 VanDerWaalsContact CZ-CE1 3.48Å; F77-F132 AromaticContact CZ-CZ 3.99Å; F77-F132 HydrophobicContact CZ-CZ 3.99Å; L81-F132 HydrophobicContact CD1-CD1 3.51Å; L81-F132 HydrophobicContact CD1-CE1 3.57Å; L81-F132 HydrophobicContact CD2-CD1 3.7Å; L81-F132 HydrophobicContact CD2-CE1 4.06Å; L81-F132 HydrophobicContact CG-CD1 4.26Å; L81-F132 HydrophobicContact CG-CE1 4.41Å; G128-F132 WeakPolarHBondContact O-CB 3.31Å; G128-F132 PolarHBondContact O-N 3.27Å; G128-F132 VanDerWaalsContact O-N 3.07Å; S129-F132 PolarHBondContact O-N 3.4Å; T130-F132 VanDerWaalsContact C-N 3.31Å; T130-F132 PolarHBondContact O-N 3.06Å; F132-Y135 PolarHBondContact O-N 2.95Å; F132-Q136 HydrophobicContact CD1-CG 4.49Å; F132-Q136 HydrophobicContact CE1-CG 4.16Å; F132-Q136 HydrophobicContact CE2-CG 4.18Å; F132-Q136 HydrophobicContact CZ-CG 4Å; F132-Q136 WeakPolarHBondContact O-CG 3.39Å; F132-Q136 PolarHBondContact O-N 3.21Å
133	L	94.6	Very high	91.9	Very high	20 Å²	20	59.4 Å²	59.4	11%	0.105	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-49.7	171.4	175.8	63.3	0	0	0	111.2	I78 L81 F82 T85 S129 T130 Y135 Q136 C137	I78-L133 HydrophobicContact CG2-CD1 4.22Å; L81-L133 HydrophobicContact CB-CB 4.37Å; L81-L133 HydrophobicContact CB-CD1 3.9Å; F82-L133 HydrophobicContact CB-CD1 4.3Å; F82-L133 HydrophobicContact CB-CD2 4.42Å; F82-L133 HydrophobicContact CD2-CD2 4.31Å; T85-L133 HydrophobicContact CG2-CD2 4.46Å; S129-L133 VanDerWaalsContact O-CB 3.28Å; S129-L133 WeakPolarHBondContact O-CB 2.96Å; S129-L133 PolarHBondContact O-N 3.44Å; T130-L133 PolarHBondContact O-N 2.91Å; L133-Y135 VanDerWaalsContact C-N 3.28Å; L133-Y135 PolarHBondContact O-N 3.1Å; L133-Q136 PolarHBondContact O-N 2.99Å; L133-C137 WeakPolarHBondContact O-CB 3.49Å; L133-C137 PolarHBondContact O-N 3.29Å; L133-C137 PolarHBondContact O-SG 3.01Å; L133-C137 VanDerWaalsContact O-SG 3.36Å
134	V	95.1	Very high	90.8	Very high	90 Å²	90	61.5 Å²	61.5	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-59.2	-42.5	177.1	170.4	0	0	0	0	110.6	T130 W131 C137 A138	T130-V134 HydrophobicContact CG2-CG2 4.46Å; T130-V134 WeakPolarHBondContact O-CB 3.23Å; T130-V134 VanDerWaalsContact O-CG2 3.29Å; T130-V134 WeakPolarHBondContact O-CG2 3.32Å; T130-V134 PolarHBondContact O-N 3.39Å; W131-V134 PolarHBondContact O-N 3.01Å; V134-C137 PolarHBondContact O-N 2.93Å; V134-A138 VanDerWaalsContact O-CB 3.24Å; V134-A138 WeakPolarHBondContact O-CB 3.47Å; V134-A138 PolarHBondContact O-N 3.48Å
135	Y	92.9	Very high	89.4	Confident	93 Å²	93	58.3 Å²	58.3	37%	0.365	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-50.7	175.4	178.8	-95.1	0	0	0	111.9	W131 F132 L133 C137 A138 M139	W131-Y135 WeakPolarHBondContact O-CB 3.43Å; W131-Y135 PolarHBondContact O-N 3.26Å; F132-Y135 PolarHBondContact O-N 2.95Å; L133-Y135 VanDerWaalsContact C-N 3.28Å; L133-Y135 PolarHBondContact O-N 3.1Å; Y135-C137 PolarHBondContact O-N 2.95Å; Y135-A138 PolarHBondContact O-N 2.92Å; Y135-M139 HydrophobicContact CD1-CG 4.16Å; Y135-M139 HydrophobicContact CE1-CG 3.79Å; Y135-M139 HydrophobicContact CE2-CG 4.22Å; Y135-M139 HydrophobicContact CE2-SD 4.38Å; Y135-M139 WeakPolarHBondContact O-CB 3.22Å; Y135-M139 VanDerWaalsContact O-CG 3.23Å; Y135-M139 WeakPolarHBondContact O-CG 3.37Å; Y135-M139 PolarHBondContact O-N 3.24Å
136	Q	91.5	Very high	87.7	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.019	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-43.1	179.7	-68.6	-66.1	90.7	0	0	111.5	D59 F77 I78 L81 F132 L133 M139 V140	D59-Q136 PolarHBondContact OD2-NE2 2.84Å; F77-Q136 HydrophobicContact CE1-CG 4.48Å; I78-Q136 HydrophobicContact CG1-CB 4.44Å; L81-Q136 HydrophobicContact CD1-CG 4.01Å; F132-Q136 HydrophobicContact CD1-CG 4.49Å; F132-Q136 HydrophobicContact CE1-CG 4.16Å; F132-Q136 HydrophobicContact CE2-CG 4.18Å; F132-Q136 HydrophobicContact CZ-CG 4Å; F132-Q136 WeakPolarHBondContact O-CG 3.39Å; F132-Q136 PolarHBondContact O-N 3.21Å; L133-Q136 PolarHBondContact O-N 2.99Å; Q136-M139 PolarHBondContact O-N 3.27Å; Q136-V140 WeakPolarHBondContact O-CG2 3.17Å; Q136-V140 PolarHBondContact O-N 2.85Å
137	C	91.8	Very high	85.9	Confident	47 Å²	47	62.6 Å²	62.6	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-45.1	174.9	-71.8	0	0	0	0	111.8	L133 V134 Y135 M139 V140 V141	L133-C137 WeakPolarHBondContact O-CB 3.49Å; L133-C137 PolarHBondContact O-N 3.29Å; L133-C137 PolarHBondContact O-SG 3.01Å; L133-C137 VanDerWaalsContact O-SG 3.36Å; V134-C137 PolarHBondContact O-N 2.93Å; Y135-C137 PolarHBondContact O-N 2.95Å; C137-M139 VanDerWaalsContact C-N 3.28Å; C137-M139 PolarHBondContact O-N 2.85Å; C137-V140 PolarHBondContact O-N 3.45Å; C137-V141 WeakPolarHBondContact O-CG2 3.35Å; C137-V141 PolarHBondContact O-N 3.41Å
138	A	91.3	Very high	83.8	Confident	36 Å²	36	57 Å²	57	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-36.2	176.5	0	0	0	0	0	112	V134 Y135 K142	V134-A138 VanDerWaalsContact O-CB 3.24Å; V134-A138 WeakPolarHBondContact O-CB 3.47Å; V134-A138 PolarHBondContact O-N 3.48Å; Y135-A138 PolarHBondContact O-N 2.92Å; A138-K142 WeakPolarHBondContact O-CB 3.32Å; A138-K142 VanDerWaalsContact O-CG 3.27Å; A138-K142 WeakPolarHBondContact O-CG 3.31Å; A138-K142 PolarHBondContact O-N 2.98Å
139	M	87.4	Confident	81.5	Confident	24 Å²	24	62.5 Å²	62.5	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-68	-39.1	175.9	-70.5	-62.7	-81.9	0	0	112	Y135 Q136 C137 G143 R144 S145	Y135-M139 HydrophobicContact CD1-CG 4.16Å; Y135-M139 HydrophobicContact CE1-CG 3.79Å; Y135-M139 HydrophobicContact CE2-CG 4.22Å; Y135-M139 HydrophobicContact CE2-SD 4.38Å; Y135-M139 WeakPolarHBondContact O-CB 3.22Å; Y135-M139 VanDerWaalsContact O-CG 3.23Å; Y135-M139 WeakPolarHBondContact O-CG 3.37Å; Y135-M139 PolarHBondContact O-N 3.24Å; Q136-M139 PolarHBondContact O-N 3.27Å; C137-M139 VanDerWaalsContact C-N 3.28Å; C137-M139 PolarHBondContact O-N 2.85Å; M139-G143 WeakPolarHBondContact O-CA 3.49Å; M139-G143 PolarHBondContact O-N 3.39Å; M139-R144 VanDerWaalsContact CE-C 3.48Å; M139-R144 HydrophobicContact CE-CB 3.61Å; M139-R144 WeakPolarHBondContact CE-O 3.5Å; M139-R144 PolarHBondContact O-N 2.88Å; M139-R144 VanDerWaalsContact O-O 3.13Å; M139-R144 HydrophobicContact SD-CB 3.79Å; M139-S145 WeakPolarHBondContact CE-O 3.49Å
140	V	87	Confident	79.5	Confident	6 Å²	6	68.2 Å²	68.2	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-50.4	172.1	175.1	0	0	0	0	111	I78 Q136 C137 G143 R167 I168 V171	I78-V140 HydrophobicContact CD1-CG2 3.72Å; Q136-V140 WeakPolarHBondContact O-CG2 3.17Å; Q136-V140 PolarHBondContact O-N 2.85Å; C137-V140 PolarHBondContact O-N 3.45Å; V140-G143 PolarHBondContact O-N 3.49Å; V140-G143 VanDerWaalsContact O-N 3.1Å; V140-R167 WeakPolarHBondContact O-CB 3.42Å; V140-I168 HydrophobicContact CG1-CG1 4.25Å; V140-V171 HydrophobicContact CG1-CB 4.46Å; V140-V171 HydrophobicContact CG1-CG2 4.07Å; V140-V171 HydrophobicContact CG2-CG2 4.1Å
141	V	87.5	Confident	77.8	Confident	62 Å²	62	66.8 Å²	66.8	38%	0.376	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-45.8	-179.2	173	0	0	0	0	112	C137 G143 I164 R167	C137-V141 WeakPolarHBondContact O-CG2 3.35Å; C137-V141 PolarHBondContact O-N 3.41Å; V141-G143 PolarHBondContact O-N 3.36Å; V141-I164 HydrophobicContact CG1-CG2 4.22Å; V141-R167 WeakPolarHBondContact O-CD 3.37Å; V141-R167 PolarHBondContact O-NH1 2.87Å
142	K	84	Confident	76.2	Confident	126 Å²	126	58.2 Å²	58.2	55%	0.548	30%	0.295	S	S	.	.	H	α-helix	trans	-70.4	-15.8	176.8	-71.1	176.4	-179	174.6	0	112.5	A138 R144 R167	A138-K142 WeakPolarHBondContact O-CB 3.32Å; A138-K142 VanDerWaalsContact O-CG 3.27Å; A138-K142 WeakPolarHBondContact O-CG 3.31Å; A138-K142 PolarHBondContact O-N 2.98Å; K142-R144 VanDerWaalsContact C-N 3.31Å; K142-R144 HydrophobicContact CB-CG 4.19Å; K142-R167 PolarHBondContact O-NH1 3.07Å
143	G	74.4	Confident	74.8	Confident	7 Å²	7	59.1 Å²	59.1	7%	0.072	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	30.8	-176.9	0	0	0	0	0	113.2	M139 V140 V141 L152	M139-G143 WeakPolarHBondContact O-CA 3.49Å; M139-G143 PolarHBondContact O-N 3.39Å; V140-G143 PolarHBondContact O-N 3.49Å; V140-G143 VanDerWaalsContact O-N 3.1Å; V141-G143 PolarHBondContact O-N 3.36Å; G143-L152 WeakPolarHBondContact O-CB 3.25Å; G143-L152 VanDerWaalsContact O-CD2 3.31Å; G143-L152 WeakPolarHBondContact O-CD2 3.36Å
144	R	70.4	Confident	73.3	Confident	101 Å²	101	58.6 Å²	58.6	38%	0.381	29%	0.294	S	S	.	.			trans	-107.2	151.1	179	-65.4	-175.3	-178.3	174.7	1.8	109	M139 K142 Y149	M139-R144 VanDerWaalsContact CE-C 3.48Å; M139-R144 HydrophobicContact CE-CB 3.61Å; M139-R144 WeakPolarHBondContact CE-O 3.5Å; M139-R144 PolarHBondContact O-N 2.88Å; M139-R144 VanDerWaalsContact O-O 3.13Å; M139-R144 HydrophobicContact SD-CB 3.79Å; K142-R144 VanDerWaalsContact C-N 3.31Å; K142-R144 HydrophobicContact CB-CG 4.19Å; R144-Y149 VanDerWaalsContact CZ-CE2 3.42Å; R144-Y149 VanDerWaalsContact NH2-CE2 3.28Å; R144-Y149 PolarHBondContact NH2-OH 2.92Å
145	S	66.2	Low	72	Confident	22 Å²	22	54.5 Å²	54.5	15%	0.154	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-110.4	153	168.2	69.1	0	0	0	0	109.1	M139 R147 G148 C151	M139-S145 WeakPolarHBondContact CE-O 3.49Å; S145-R147 PolarHBondContact O-N 3.5Å; S145-G148 PolarHBondContact O-N 3.36Å; S145-G148 PolarHBondContact OG-O 3.37Å; S145-C151 WeakPolarHBondContact OG-CB 3.45Å
146	A	58.5	Low	70.9	Confident	56 Å²	56	50.5 Å²	50.5	46%	0.463	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.5	-177.4	0	0	0	0	0	113.8	D59	D59-A146 WeakPolarHBondContact OD1-CB 3.41Å
147	R	57.3	Low	69.4	Low	109 Å²	109	52.3 Å²	52.3	41%	0.411	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	14.3	177.1	-62.5	-159.9	-159	84.5	18.8	115.7	K58 D59 S145	K58-R147 PolarHBondContact O-NH1 3.19Å; D59-R147 VanDerWaalsContact O-CZ 3.23Å; D59-R147 PolarHBondContact O-NH1 3.47Å; D59-R147 PolarHBondContact O-NH2 2.97Å; S145-R147 PolarHBondContact O-N 3.5Å
148	G	53.1	Low	68.2	Low	31 Å²	31	54.4 Å²	54.4	32%	0.32	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	130.6	174.5	164.5	0	0	0	0	0	116.2	S145 F150	S145-G148 PolarHBondContact O-N 3.36Å; S145-G148 PolarHBondContact OG-O 3.37Å; G148-F150 VanDerWaalsContact C-N 3.25Å; G148-F150 PolarHBondContact O-N 2.86Å
149	Y	47.2	Very low	67	Low	154 Å²	154	55.5 Å²	55.5	60%	0.604	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.5	-179	-119.6	-90.6	0	0	0	114	R144 C151	R144-Y149 VanDerWaalsContact CZ-CE2 3.42Å; R144-Y149 VanDerWaalsContact NH2-CE2 3.28Å; R144-Y149 PolarHBondContact NH2-OH 2.92Å; Y149-C151 PolarHBondContact O-N 3.12Å
150	F	52.1	Low	66	Low	142 Å²	142	62.5 Å²	62.5	62%	0.623	31%	0.312	S	S	*	.	H	α-helix	trans	-67.9	-33.4	-168.3	-71.4	-86.8	0	0	0	113.7	G148 L152 D154	G148-F150 VanDerWaalsContact C-N 3.25Å; G148-F150 PolarHBondContact O-N 2.86Å; F150-L152 PolarHBondContact O-N 3.12Å; F150-D154 PolarHBondContact O-N 2.91Å
151	C	60.9	Low	65.4	Low	13 Å²	13	68.6 Å²	68.6	9%	0.088	35%	0.345	C	S	.	.	H	α-helix	trans	-69.9	-34.6	-166.1	-168.2	0	0	0	0	115.8	I44 R57 S145 Y149 M155	I44-C151 HydrophobicContact CG2-CB 4.33Å; R57-C151 VanDerWaalsContact CG-SG 3.53Å; S145-C151 WeakPolarHBondContact OG-CB 3.45Å; Y149-C151 PolarHBondContact O-N 3.12Å; C151-M155 WeakPolarHBondContact O-CE 3.33Å
152	L	63.3	Low	64.9	Low	13 Å²	13	65.9 Å²	65.9	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-80.4	-41.5	-177	-171	84.2	0	0	0	112.4	G143 F150 D154 M155 F156 P162 R167 L170	G143-L152 WeakPolarHBondContact O-CB 3.25Å; G143-L152 VanDerWaalsContact O-CD2 3.31Å; G143-L152 WeakPolarHBondContact O-CD2 3.36Å; F150-L152 PolarHBondContact O-N 3.12Å; L152-D154 PolarHBondContact O-N 3.37Å; L152-M155 HydrophobicContact CD1-CE 3.88Å; L152-M155 PolarHBondContact O-N 2.83Å; L152-F156 HydrophobicContact CD1-CE2 4.17Å; L152-F156 HydrophobicContact CG-CD2 4.41Å; L152-F156 HydrophobicContact CG-CE2 4.26Å; L152-P162 HydrophobicContact CD2-CG 3.89Å; L152-R167 HydrophobicContact CD2-CG 3.77Å; L152-L170 HydrophobicContact CD1-CD2 3.41Å; L152-L170 VanDerWaalsContact CD1-CD2 3.41Å
153	R	63.3	Low	65	Low	86 Å²	86	63.6 Å²	63.6	33%	0.325	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-31.7	-179.6	-163.5	177.6	67.1	156.2	12.8	111.8	Y28 M155	Y28-R153 HydrophobicContact CD1-CG 3.86Å; Y28-R153 VanDerWaalsContact CD1-NE 3.34Å; Y28-R153 VanDerWaalsContact CE1-CD 3.5Å; Y28-R153 HydrophobicContact CE1-CG 3.85Å; Y28-R153 PolarHBondContact OH-NH1 2.85Å; R153-M155 VanDerWaalsContact C-N 3.27Å; R153-M155 PolarHBondContact O-N 3.37Å
154	D	64.4	Low	65.5	Low	9 Å²	9	67.9 Å²	67.9	5%	0.048	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.6	177.7	-65.8	-9.5	0	0	0	113.4	Y28 I44 F150 L152 Y194	Y28-D154 WeakPolarHBondContact CA-OD1 3.41Å; Y28-D154 WeakPolarHBondContact O-CA 3.46Å; Y28-D154 WeakPolarHBondContact O-CB 3.06Å; Y28-D154 VanDerWaalsContact O-CG 3.29Å; I44-D154 HydrophobicContact CG2-CB 4.09Å; F150-D154 PolarHBondContact O-N 2.91Å; L152-D154 PolarHBondContact O-N 3.37Å; D154-Y194 WeakPolarHBondContact O-CD2 3.36Å; D154-Y194 WeakPolarHBondContact O-CE2 3.19Å
155	M	67.5	Low	66.3	Low	3 Å²	3	65.8 Å²	65.8	2%	0.015	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-14.5	177.6	-70.6	-177.1	-72.8	0	0	113.9	R57 F71 C151 L152 R153 P157 L170	R57-M155 VanDerWaalsContact NE-CE 3.31Å; F71-M155 HydrophobicContact CD2-SD 4.36Å; F71-M155 HydrophobicContact CE2-SD 4.41Å; C151-M155 WeakPolarHBondContact O-CE 3.33Å; L152-M155 HydrophobicContact CD1-CE 3.88Å; L152-M155 PolarHBondContact O-N 2.83Å; R153-M155 VanDerWaalsContact C-N 3.27Å; R153-M155 PolarHBondContact O-N 3.37Å; M155-P157 WeakPolarHBondContact O-CD 3.5Å; M155-L170 HydrophobicContact CB-CD2 4.2Å; M155-L170 HydrophobicContact CE-CD2 3.37Å; M155-L170 HydrophobicContact CE-CG 4.34Å; M155-L170 HydrophobicContact SD-CD1 4.06Å; M155-L170 HydrophobicContact SD-CD2 3.78Å; M155-L170 HydrophobicContact SD-CG 4.25Å
156	F	69.3	Low	67	Low	10 Å²	10	67.4 Å²	67.4	4%	0.044	36%	0.355	C	S	.	.			trans	-120.8	78.4	178.2	-64.3	-81.1	0	0	0	111.5	L152 A158 N159 P162 Q166 L170	L152-F156 HydrophobicContact CD1-CE2 4.17Å; L152-F156 HydrophobicContact CG-CD2 4.41Å; L152-F156 HydrophobicContact CG-CE2 4.26Å; F156-A158 PolarHBondContact O-N 3.34Å; F156-N159 WeakPolarHBondContact CB-O 3.23Å; F156-N159 CarbonylContact O-C 3.5Å; F156-P162 HydrophobicContact CD1-CB 4.17Å; F156-P162 HydrophobicContact CD2-CB 3.61Å; F156-P162 HydrophobicContact CD2-CG 3.54Å; F156-P162 HydrophobicContact CE1-CB 4.23Å; F156-P162 HydrophobicContact CE2-CB 3.63Å; F156-P162 HydrophobicContact CE2-CG 3.76Å; F156-P162 HydrophobicContact CG-CB 3.87Å; F156-P162 HydrophobicContact CG-CG 4.14Å; F156-P162 HydrophobicContact CZ-CB 3.97Å; F156-Q166 HydrophobicContact CE1-CB 3.93Å; F156-Q166 HydrophobicContact CE1-CG 4.5Å; F156-Q166 HydrophobicContact CZ-CB 3.89Å; F156-Q166 WeakPolarHBondContact CZ-O 3.48Å; F156-L170 HydrophobicContact CE2-CD2 3.7Å; F156-L170 HydrophobicContact CZ-CB 4.18Å; F156-L170 HydrophobicContact CZ-CD2 4.03Å
157	P	61.2	Low	68.3	Low	42 Å²	42	67.3 Å²	67.3	27%	0.273	34%	0.343	S	S	.	.	S	Bend	trans	-60.3	-43.9	178.3	8.4	-15.8	0	0	0	113.4	F29 M155 S193	F29-P157 HydrophobicContact CE1-CG 4.23Å; F29-P157 HydrophobicContact CE2-CB 3.69Å; F29-P157 HydrophobicContact CE2-CG 4.26Å; F29-P157 HydrophobicContact CZ-CB 3.36Å; F29-P157 HydrophobicContact CZ-CG 3.43Å; F29-P157 VanDerWaalsContact CZ-CG 3.43Å; M155-P157 WeakPolarHBondContact O-CD 3.5Å; P157-S193 VanDerWaalsContact CD-OG 3.25Å; P157-S193 WeakPolarHBondContact CD-OG 3.46Å; P157-S193 WeakPolarHBondContact CG-OG 3.29Å
158	A	65.9	Low	69.7	Low	91 Å²	91	63.6 Å²	63.6	75%	0.752	33%	0.331	S	S	*	.	S	Bend	trans	-72.7	-35	-174.2	0	0	0	0	0	111.8	F156	F156-A158 PolarHBondContact O-N 3.34Å
159	N	67.1	Low	71.1	Confident	59 Å²	59	66.3 Å²	66.3	32%	0.316	34%	0.335	S	S	.	.			trans	-123.6	98.4	-179.1	-174.2	7.6	0	0	0	111.9	F156 N161 Q166	F156-N159 WeakPolarHBondContact CB-O 3.23Å; F156-N159 CarbonylContact O-C 3.5Å; N159-N161 PolarHBondContact ND2-O 2.89Å; N159-N161 PolarHBondContact O-N 3.48Å; N159-N161 PolarHBondContact OD1-N 3.23Å; N159-N161 PolarHBondContact OD1-O 3.44Å; N159-Q166 PolarHBondContact ND2-OE1 2.9Å
160	R	64.5	Low	72.7	Confident	170 Å²	170	59.4 Å²	59.4	64%	0.642	31%	0.308	S	S	*	.	S	Bend	trans	-65.5	-22.4	-177.4	-63.2	-175	-178	-177.5	2.5	114.2	P162	R160-P162 WeakPolarHBondContact O-CD 3.49Å
161	N	74.6	Confident	74.2	Confident	134 Å²	134	52.8 Å²	52.8	72%	0.717	28%	0.28	S	S	*	.	S	Bend	trans	-120.6	76.2	176.2	-77.9	-12.5	0	0	0	109	N159	N159-N161 PolarHBondContact ND2-O 2.89Å; N159-N161 PolarHBondContact O-N 3.48Å; N159-N161 PolarHBondContact OD1-N 3.23Å; N159-N161 PolarHBondContact OD1-O 3.44Å
162	P	77.2	Confident	75.4	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.039	28%	0.278	C	S	.	.			trans	-61.2	142.5	-180	27.1	-35.8	0	0	0	110.6	L152 F156 R160 Q166 R167	L152-P162 HydrophobicContact CD2-CG 3.89Å; F156-P162 HydrophobicContact CD1-CB 4.17Å; F156-P162 HydrophobicContact CD2-CB 3.61Å; F156-P162 HydrophobicContact CD2-CG 3.54Å; F156-P162 HydrophobicContact CE1-CB 4.23Å; F156-P162 HydrophobicContact CE2-CB 3.63Å; F156-P162 HydrophobicContact CE2-CG 3.76Å; F156-P162 HydrophobicContact CG-CB 3.87Å; F156-P162 HydrophobicContact CG-CG 4.14Å; F156-P162 HydrophobicContact CZ-CB 3.97Å; R160-P162 WeakPolarHBondContact O-CD 3.49Å; P162-Q166 VanDerWaalsContact CA-OE1 3.27Å; P162-Q166 HydrophobicContact CB-CB 4.01Å; P162-R167 HydrophobicContact CB-CG 4.36Å; P162-R167 HydrophobicContact CG-CG 4.18Å; P162-R167 PolarHBondContact O-NE 2.85Å; P162-R167 PolarHBondContact O-NH2 3.28Å
163	T	86.2	Confident	76.4	Confident	77 Å²	77	52.2 Å²	52.2	47%	0.472	28%	0.276	S	S	.	.			trans	-65.1	162.2	176	67.1	0	0	0	0	110.7	A165 Q166 R167	T163-A165 PolarHBondContact O-N 2.9Å; T163-Q166 PolarHBondContact O-N 2.86Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.42Å; T163-Q166 PolarHBondContact OG1-N 3.43Å; T163-R167 WeakPolarHBondContact O-CG 3.43Å; T163-R167 PolarHBondContact O-N 3.24Å; T163-R167 VanDerWaalsContact O-N 3.12Å
164	I	86	Confident	77.1	Confident	97 Å²	97	52.2 Å²	52.2	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-57.8	-39.8	177.1	-64	170.6	0	0	0	110.5	V141 Q166 R167 I168	V141-I164 HydrophobicContact CG1-CG2 4.22Å; I164-Q166 PolarHBondContact O-N 2.92Å; I164-R167 PolarHBondContact O-N 3.13Å; I164-I168 HydrophobicContact CG2-CD1 3.82Å; I164-I168 HydrophobicContact CG2-CG1 4.43Å; I164-I168 WeakPolarHBondContact O-CG1 3.46Å; I164-I168 PolarHBondContact O-N 2.9Å
165	A	86.2	Confident	78	Confident	57 Å²	57	59.7 Å²	59.7	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-47.8	176.3	0	0	0	0	0	111.9	T163 R167 I168 E169	T163-A165 PolarHBondContact O-N 2.9Å; A165-R167 VanDerWaalsContact C-N 3.28Å; A165-R167 PolarHBondContact O-N 3.38Å; A165-I168 PolarHBondContact O-N 3.36Å; A165-E169 WeakPolarHBondContact O-CB 3.28Å; A165-E169 PolarHBondContact O-N 2.9Å
166	Q	82.3	Confident	78.8	Confident	57 Å²	57	65.3 Å²	65.3	27%	0.266	34%	0.337	S	S	.	.	H	α-helix	trans	-60	-37.1	177.3	-74.3	175	-37.8	0	0	112.3	F156 N159 P162 T163 I164 L170	F156-Q166 HydrophobicContact CE1-CB 3.93Å; F156-Q166 HydrophobicContact CE1-CG 4.5Å; F156-Q166 HydrophobicContact CZ-CB 3.89Å; F156-Q166 WeakPolarHBondContact CZ-O 3.48Å; N159-Q166 PolarHBondContact ND2-OE1 2.9Å; P162-Q166 VanDerWaalsContact CA-OE1 3.27Å; P162-Q166 HydrophobicContact CB-CB 4.01Å; T163-Q166 PolarHBondContact O-N 2.86Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.42Å; T163-Q166 PolarHBondContact OG1-N 3.43Å; I164-Q166 PolarHBondContact O-N 2.92Å; Q166-L170 WeakPolarHBondContact O-CB 3.27Å; Q166-L170 PolarHBondContact O-N 3.39Å
167	R	84.2	Confident	79.5	Confident	54 Å²	54	67.3 Å²	67.3	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-37.9	177.8	-61.2	170.7	-165.1	-175.4	-0.4	112.6	V140 V141 K142 L152 P162 T163 I164 A165	V140-R167 WeakPolarHBondContact O-CB 3.42Å; V141-R167 WeakPolarHBondContact O-CD 3.37Å; V141-R167 PolarHBondContact O-NH1 2.87Å; K142-R167 PolarHBondContact O-NH1 3.07Å; L152-R167 HydrophobicContact CD2-CG 3.77Å; P162-R167 HydrophobicContact CB-CG 4.36Å; P162-R167 HydrophobicContact CG-CG 4.18Å; P162-R167 PolarHBondContact O-NE 2.85Å; P162-R167 PolarHBondContact O-NH2 3.28Å; T163-R167 WeakPolarHBondContact O-CG 3.43Å; T163-R167 PolarHBondContact O-N 3.24Å; T163-R167 VanDerWaalsContact O-N 3.12Å; I164-R167 PolarHBondContact O-N 3.13Å; A165-R167 VanDerWaalsContact C-N 3.28Å; A165-R167 PolarHBondContact O-N 3.38Å
168	I	86.4	Confident	80.7	Confident	31 Å²	31	69.3 Å²	69.3	16%	0.159	37%	0.367	C	S	.	.	H	α-helix	trans	-70.8	-46.7	176.9	-67.6	170.8	0	0	0	109.6	V140 I164 A165 L170 V171 F172 W176	V140-I168 HydrophobicContact CG1-CG1 4.25Å; I164-I168 HydrophobicContact CG2-CD1 3.82Å; I164-I168 HydrophobicContact CG2-CG1 4.43Å; I164-I168 WeakPolarHBondContact O-CG1 3.46Å; I164-I168 PolarHBondContact O-N 2.9Å; A165-I168 PolarHBondContact O-N 3.36Å; I168-L170 VanDerWaalsContact C-N 3.26Å; I168-L170 PolarHBondContact O-N 3.5Å; I168-V171 PolarHBondContact O-N 3.37Å; I168-F172 HydrophobicContact CG2-CD2 3.91Å; I168-F172 PolarHBondContact O-N 3.4Å; I168-W176 HydrophobicContact CG2-CB 3.71Å; I168-W176 HydrophobicContact CG2-CD2 3.74Å; I168-W176 HydrophobicContact CG2-CE3 3.94Å; I168-W176 HydrophobicContact CG2-CG 3.65Å
169	E	84.2	Confident	81.5	Confident	87 Å²	87	65.2 Å²	65.2	41%	0.407	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-37.6	176.7	176.9	168.8	-167.8	0	0	111.8	A165 V171 G173 P174 N188	A165-E169 WeakPolarHBondContact O-CB 3.28Å; A165-E169 PolarHBondContact O-N 2.9Å; E169-V171 PolarHBondContact O-N 2.9Å; E169-V171 VanDerWaalsContact O-N 3.09Å; E169-G173 WeakPolarHBondContact O-CA 3.22Å; E169-G173 PolarHBondContact O-N 2.95Å; E169-P174 WeakPolarHBondContact OE1-CA 3.24Å; E169-N188 PolarHBondContact O-OD1 3.25Å
170	L	80	Confident	82.4	Confident	10 Å²	10	64.9 Å²	64.9	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-17.8	174.3	-174.2	66.7	0	0	0	113.9	F71 L152 M155 F156 Q166 I168 N188	F71-L170 HydrophobicContact CE2-CD1 3.78Å; F71-L170 HydrophobicContact CE2-CG 4.22Å; F71-L170 HydrophobicContact CZ-CD1 4.46Å; L152-L170 HydrophobicContact CD1-CD2 3.41Å; L152-L170 VanDerWaalsContact CD1-CD2 3.41Å; M155-L170 HydrophobicContact CB-CD2 4.2Å; M155-L170 HydrophobicContact CE-CD2 3.37Å; M155-L170 HydrophobicContact CE-CG 4.34Å; M155-L170 HydrophobicContact SD-CD1 4.06Å; M155-L170 HydrophobicContact SD-CD2 3.78Å; M155-L170 HydrophobicContact SD-CG 4.25Å; F156-L170 HydrophobicContact CE2-CD2 3.7Å; F156-L170 HydrophobicContact CZ-CB 4.18Å; F156-L170 HydrophobicContact CZ-CD2 4.03Å; Q166-L170 WeakPolarHBondContact O-CB 3.27Å; Q166-L170 PolarHBondContact O-N 3.39Å; I168-L170 VanDerWaalsContact C-N 3.26Å; I168-L170 PolarHBondContact O-N 3.5Å; L170-N188 PolarHBondContact O-ND2 3.25Å
171	V	84.3	Confident	83.3	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-104.1	-46.9	176.6	178.7	0	0	0	0	110.8	Q74 R75 I78 V140 I168 E169	Q74-V171 HydrophobicContact CB-CG1 4.3Å; Q74-V171 HydrophobicContact CG-CG1 4Å; R75-V171 HydrophobicContact CB-CG1 4.37Å; R75-V171 WeakPolarHBondContact CB-O 3.22Å; I78-V171 HydrophobicContact CD1-CG1 3.98Å; V140-V171 HydrophobicContact CG1-CB 4.46Å; V140-V171 HydrophobicContact CG1-CG2 4.07Å; V140-V171 HydrophobicContact CG2-CG2 4.1Å; I168-V171 PolarHBondContact O-N 3.37Å; E169-V171 PolarHBondContact O-N 2.9Å; E169-V171 VanDerWaalsContact O-N 3.09Å
172	F	86	Confident	83.7	Confident	11 Å²	11	58.8 Å²	58.8	5%	0.048	31%	0.31	C	S	.	.	H	α-helix	trans	-99.5	-8.2	-171	-68.1	-80.8	0	0	0	114.3	R75 I78 V79 I168 W176 N179 F180	R75-F172 HydrophobicContact CB-CD1 4.09Å; R75-F172 HydrophobicContact CB-CE1 4.29Å; I78-F172 HydrophobicContact CB-CE1 4.5Å; I78-F172 HydrophobicContact CB-CZ 4.03Å; I78-F172 HydrophobicContact CD1-CE2 4.22Å; I78-F172 HydrophobicContact CD1-CZ 3.88Å; I78-F172 HydrophobicContact CG2-CZ 3.81Å; V79-F172 HydrophobicContact CG2-CE1 4.28Å; I168-F172 HydrophobicContact CG2-CD2 3.91Å; I168-F172 PolarHBondContact O-N 3.4Å; F172-W176 HydrophobicContact CB-CB 3.53Å; F172-W176 HydrophobicContact CG-CB 4.44Å; F172-N179 VanDerWaalsContact O-CB 3.25Å; F172-N179 WeakPolarHBondContact O-CB 3.46Å; F172-N179 PolarHBondContact O-ND2 3.16Å; F172-F180 HydrophobicContact CD1-CB 4.28Å; F172-F180 HydrophobicContact CD1-CD2 4.23Å; F172-F180 HydrophobicContact CE1-CB 4.29Å; F172-F180 AromaticContact CE1-CD2 3.48Å; F172-F180 HydrophobicContact CE1-CD2 3.48Å; F172-F180 VanDerWaalsContact CE1-CD2 3.48Å; F172-F180 HydrophobicContact CE1-CE2 4.26Å; F172-F180 HydrophobicContact CE1-CG 4.33Å; F172-F180 HydrophobicContact CE2-CD2 4.32Å; F172-F180 AromaticContact CZ-CD2 3.53Å; F172-F180 HydrophobicContact CZ-CD2 3.53Å; F172-F180 AromaticContact CZ-CE2 3.98Å; F172-F180 HydrophobicContact CZ-CE2 3.98Å
173	G	82.9	Confident	83.6	Confident	3 Å²	3	61.3 Å²	61.3	3%	0.031	33%	0.327	C	S	.	.			trans	80.7	179.1	-173.3	0	0	0	0	0	113.7	E169 Y175 W176 N188	E169-G173 WeakPolarHBondContact O-CA 3.22Å; E169-G173 PolarHBondContact O-N 2.95Å; G173-Y175 VanDerWaalsContact C-N 3.32Å; G173-Y175 PolarHBondContact O-N 3.07Å; G173-W176 WeakPolarHBondContact O-CA 3.34Å; G173-W176 WeakPolarHBondContact O-CB 3.38Å; G173-W176 PolarHBondContact O-N 3.36Å; G173-N188 PolarHBondContact N-OD1 2.82Å
174	P	79.7	Confident	83.1	Confident	86 Å²	86	61 Å²	61	56%	0.558	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.3	-172.5	21	-33.1	0	0	0	113.2	E169 W176	E169-P174 WeakPolarHBondContact OE1-CA 3.24Å; P174-W176 VanDerWaalsContact C-N 3.25Å; P174-W176 PolarHBondContact O-N 2.97Å
175	Y	83	Confident	82.4	Confident	165 Å²	165	61.9 Å²	61.9	65%	0.647	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	50.7	174.8	-54.5	-69.3	0	0	0	111.5	G173 A177 V178 N179	G173-Y175 VanDerWaalsContact C-N 3.32Å; G173-Y175 PolarHBondContact O-N 3.07Å; Y175-A177 PolarHBondContact O-N 3.5Å; Y175-A177 VanDerWaalsContact O-N 3.12Å; Y175-V178 PolarHBondContact O-N 2.91Å; Y175-V178 VanDerWaalsContact O-N 3.13Å; Y175-N179 PolarHBondContact O-N 2.92Å
176	W	84	Confident	81.5	Confident	121 Å²	121	63.6 Å²	63.6	46%	0.458	33%	0.334	S	S	.	.	H	α-helix	trans	-54.6	-37.9	-168	64.1	-93.4	0	0	0	113.7	I168 F172 G173 P174 N179 F180	I168-W176 HydrophobicContact CG2-CB 3.71Å; I168-W176 HydrophobicContact CG2-CD2 3.74Å; I168-W176 HydrophobicContact CG2-CE3 3.94Å; I168-W176 HydrophobicContact CG2-CG 3.65Å; F172-W176 HydrophobicContact CB-CB 3.53Å; F172-W176 HydrophobicContact CG-CB 4.44Å; G173-W176 WeakPolarHBondContact O-CA 3.34Å; G173-W176 WeakPolarHBondContact O-CB 3.38Å; G173-W176 PolarHBondContact O-N 3.36Å; P174-W176 VanDerWaalsContact C-N 3.25Å; P174-W176 PolarHBondContact O-N 2.97Å; W176-N179 PolarHBondContact O-N 2.97Å; W176-F180 VanDerWaalsContact O-CB 3.31Å; W176-F180 WeakPolarHBondContact O-CB 3.41Å; W176-F180 PolarHBondContact O-N 2.68Å
177	A	84.8	Confident	80.5	Confident	53 Å²	53	68 Å²	68	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-66.4	-42.9	-178.4	0	0	0	0	0	112.2	Y175 F180 L181	Y175-A177 PolarHBondContact O-N 3.5Å; Y175-A177 VanDerWaalsContact O-N 3.12Å; A177-F180 PolarHBondContact O-N 3.39Å; A177-L181 PolarHBondContact O-N 3.13Å
178	V	85.2	Confident	79.5	Confident	84 Å²	84	66 Å²	66	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-45.6	176.3	-179.3	0	0	0	0	109.8	Y175 F180 L181 V182	Y175-V178 PolarHBondContact O-N 2.91Å; Y175-V178 VanDerWaalsContact O-N 3.13Å; V178-F180 PolarHBondContact O-N 2.68Å; V178-L181 PolarHBondContact O-N 3.47Å; V178-V182 PolarHBondContact O-N 2.86Å
179	N	83.3	Confident	78.5	Confident	5 Å²	5	72.8 Å²	72.8	3%	0.027	37%	0.37	C	S	.	.	H	α-helix	trans	-68.1	-19.8	179.8	-71	-25.9	0	0	0	113.6	F172 Y175 W176 V182	F172-N179 VanDerWaalsContact O-CB 3.25Å; F172-N179 WeakPolarHBondContact O-CB 3.46Å; F172-N179 PolarHBondContact O-ND2 3.16Å; Y175-N179 PolarHBondContact O-N 2.92Å; W176-N179 PolarHBondContact O-N 2.97Å; N179-V182 WeakPolarHBondContact CA-O 3.45Å
180	F	85.4	Confident	77.6	Confident	52 Å²	52	69.7 Å²	69.7	23%	0.228	36%	0.356	C	S	.	.	H	α-helix	trans	-73.9	-42.8	172.8	-175.6	-88.4	0	0	0	111.5	I78 V79 F82 F172 W176 A177 V178	I78-F180 HydrophobicContact CG2-CE2 4.1Å; V79-F180 WeakPolarHBondContact CG2-O 3.45Å; F82-F180 HydrophobicContact CB-CZ 4.27Å; F82-F180 HydrophobicContact CD1-CE1 4.15Å; F82-F180 HydrophobicContact CD2-CE1 4.05Å; F82-F180 AromaticContact CD2-CZ 3.9Å; F82-F180 HydrophobicContact CD2-CZ 3.9Å; F82-F180 HydrophobicContact CE1-CE1 4.23Å; F82-F180 HydrophobicContact CE2-CE1 4.14Å; F82-F180 HydrophobicContact CE2-CZ 4.37Å; F82-F180 HydrophobicContact CG-CE1 4.04Å; F82-F180 AromaticContact CG-CZ 3.97Å; F82-F180 HydrophobicContact CG-CZ 3.97Å; F82-F180 HydrophobicContact CZ-CE1 4.21Å; F172-F180 HydrophobicContact CD1-CB 4.28Å; F172-F180 HydrophobicContact CD1-CD2 4.23Å; F172-F180 HydrophobicContact CE1-CB 4.29Å; F172-F180 AromaticContact CE1-CD2 3.48Å; F172-F180 HydrophobicContact CE1-CD2 3.48Å; F172-F180 VanDerWaalsContact CE1-CD2 3.48Å; F172-F180 HydrophobicContact CE1-CE2 4.26Å; F172-F180 HydrophobicContact CE1-CG 4.33Å; F172-F180 HydrophobicContact CE2-CD2 4.32Å; F172-F180 AromaticContact CZ-CD2 3.53Å; F172-F180 HydrophobicContact CZ-CD2 3.53Å; F172-F180 AromaticContact CZ-CE2 3.98Å; F172-F180 HydrophobicContact CZ-CE2 3.98Å; W176-F180 VanDerWaalsContact O-CB 3.31Å; W176-F180 WeakPolarHBondContact O-CB 3.41Å; W176-F180 PolarHBondContact O-N 2.68Å; A177-F180 PolarHBondContact O-N 3.39Å; V178-F180 PolarHBondContact O-N 2.68Å
181	L	84.2	Confident	76.9	Confident	100 Å²	100	71.8 Å²	71.8	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-81.5	-43.8	-178.8	-173.3	63.2	0	0	0	112	W83 A177 V178	W83-L181 HydrophobicContact CH2-CD1 4.49Å; W83-L181 HydrophobicContact CZ2-CD1 3.98Å; A177-L181 PolarHBondContact O-N 3.13Å; V178-L181 PolarHBondContact O-N 3.47Å
182	V	83	Confident	76	Confident	76 Å²	76	78.6 Å²	78.6	46%	0.461	40%	0.399	S	S	.	.	S	Bend	trans	-118.7	105.5	-179.5	-176.3	0	0	0	0	108.1	V178 N179 L184	V178-V182 PolarHBondContact O-N 2.86Å; N179-V182 WeakPolarHBondContact CA-O 3.45Å; V182-L184 HydrophobicContact CG1-CD2 3.84Å; V182-L184 HydrophobicContact CG1-CG 4.11Å; V182-L184 PolarHBondContact O-N 3.47Å
183	P	74.2	Confident	74.8	Confident	59 Å²	59	79.6 Å²	79.6	38%	0.383	41%	0.407	S	S	.	.			trans	-73.7	76.1	-178.4	29.5	-33.8	0	0	0	111	Y76 V79	Y76-P183 HydrophobicContact CD1-CB 3.69Å; Y76-P183 HydrophobicContact CE1-CB 3.82Å; V79-P183 HydrophobicContact CG1-CB 4.3Å; V79-P183 HydrophobicContact CG1-CG 4.05Å
184	L	76.7	Confident	73.8	Confident	70 Å²	70	79.9 Å²	79.9	37%	0.366	41%	0.408	S	S	.	.			trans	-63.1	147.6	175.9	-64.9	176.7	0	0	0	110.5	R75 V182 L186	R75-L184 PolarHBondContact NH2-O 3.43Å; R75-L184 VanDerWaalsContact NH2-O 3.12Å; V182-L184 HydrophobicContact CG1-CD2 3.84Å; V182-L184 HydrophobicContact CG1-CG 4.11Å; V182-L184 PolarHBondContact O-N 3.47Å; L184-L186 HydrophobicContact CB-CD1 4.19Å; L184-L186 HydrophobicContact CB-CG 4.06Å; L184-L186 HydrophobicContact CD1-CD1 4.1Å; L184-L186 PolarHBondContact O-N 2.9Å
185	P	70.8	Confident	73.1	Confident	115 Å²	115	80 Å²	80	75%	0.747	40%	0.401	S	S	*	.			trans	-71.2	29.2	177.3	31.3	-35.9	0	0	0	113.9	Y76 R187	Y76-P185 WeakPolarHBondContact OH-CA 3.4Å; P185-R187 PolarHBondContact O-N 3.43Å
186	L	67.6	Low	72.1	Confident	93 Å²	93	78 Å²	78	49%	0.487	40%	0.397	S	S	.	.			trans	-76.9	100.9	178.8	-68.8	174.7	0	0	0	110.2	R75 L184 N188	R75-L186 PolarHBondContact NH1-O 3.46Å; R75-L186 VanDerWaalsContact NH2-C 3.3Å; R75-L186 PolarHBondContact NH2-O 2.87Å; L184-L186 HydrophobicContact CB-CD1 4.19Å; L184-L186 HydrophobicContact CB-CG 4.06Å; L184-L186 HydrophobicContact CD1-CD1 4.1Å; L184-L186 PolarHBondContact O-N 2.9Å; L186-N188 PolarHBondContact O-N 2.9Å
187	R	60.2	Low	71.1	Confident	151 Å²	151	73.3 Å²	73.3	57%	0.57	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-52.1	129.9	-177.3	-176	175.6	177.3	171.8	0	111.6	P185 K189 C211	P185-R187 PolarHBondContact O-N 3.43Å; R187-K189 PolarHBondContact O-N 3.25Å; R187-C211 PolarHBondContact NH2-SG 3.34Å
188	N	62.7	Low	70	Confident	12 Å²	12	72.2 Å²	72.2	6%	0.064	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-66	124	171.9	-166.8	45.4	0	0	0	109.5	F71 E169 L170 G173 L186	F71-N188 WeakPolarHBondContact CE2-ND2 3.48Å; F71-N188 HydrophobicContact CZ-CB 4.46Å; F71-N188 WeakPolarHBondContact CZ-ND2 3.23Å; E169-N188 PolarHBondContact O-OD1 3.25Å; L170-N188 PolarHBondContact O-ND2 3.25Å; G173-N188 PolarHBondContact N-OD1 2.82Å; L186-N188 PolarHBondContact O-N 2.9Å
189	K	65.8	Low	68.9	Low	173 Å²	173	72.6 Å²	72.6	75%	0.752	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-86.5	146.7	179.4	-68.4	-173.5	177.4	-176.9	0	109.7	R187	R187-K189 PolarHBondContact O-N 3.25Å
190	L	65.9	Low	67.8	Low	22 Å²	22	78.7 Å²	78.7	12%	0.115	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-71.8	156.5	167.8	-73.6	92.9	0	0	0	108.4	F56 F71 E192 Y194 E195	F56-L190 HydrophobicContact CE1-CD2 4.03Å; F56-L190 HydrophobicContact CE2-CD2 4.38Å; F56-L190 HydrophobicContact CZ-CD2 3.56Å; F71-L190 HydrophobicContact CE1-CD1 3.77Å; F71-L190 HydrophobicContact CE1-CG 3.91Å; F71-L190 HydrophobicContact CZ-CD1 4.27Å; F71-L190 HydrophobicContact CZ-CG 3.93Å; L190-E192 PolarHBondContact O-N 3.25Å; L190-Y194 HydrophobicContact CB-CD1 4.3Å; L190-Y194 HydrophobicContact CD2-CD1 3.24Å; L190-Y194 HydrophobicContact CD2-CE1 3.31Å; L190-Y194 HydrophobicContact CD2-CG 4.2Å; L190-Y194 HydrophobicContact CG-CD1 4.38Å; L190-E195 HydrophobicContact CB-CG 3.78Å
191	D	64.8	Low	66.5	Low	54 Å²	54	79.4 Å²	79.4	29%	0.289	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-58.5	134.7	171.9	-172.3	-76.2	0	0	0	109.6	S193 Y194 E195	D191-S193 PolarHBondContact O-N 3.44Å; D191-S193 WeakPolarHBondContact OD1-CA 3.19Å; D191-S193 WeakPolarHBondContact OD1-CB 3.4Å; D191-S193 PolarHBondContact OD1-N 3.46Å; D191-S193 PolarHBondContact OD1-OG 2.97Å; D191-Y194 WeakPolarHBondContact O-CA 3.28Å; D191-Y194 VanDerWaalsContact O-CB 3.3Å; D191-Y194 WeakPolarHBondContact O-CB 3.26Å; D191-Y194 PolarHBondContact O-N 3.4Å; D191-E195 PolarHBondContact O-N 3.38Å
192	E	65.7	Low	65	Low	145 Å²	145	78.8 Å²	78.8	68%	0.678	39%	0.393	S	S	*	.	H	α-helix	trans	-55.3	-37.5	-178.4	-65.5	-177.3	159.5	0	0	111.3	L190 Y194 E195 H196	L190-E192 PolarHBondContact O-N 3.25Å; E192-Y194 VanDerWaalsContact C-N 3.29Å; E192-Y194 PolarHBondContact O-N 2.96Å; E192-E195 PolarHBondContact O-N 2.71Å; E192-H196 WeakPolarHBondContact O-CB 3.31Å; E192-H196 PolarHBondContact O-CD2 3.32Å; E192-H196 PolarHBondContact O-N 2.96Å
193	S	60.3	Low	63.6	Low	32 Å²	32	82.6 Å²	82.6	22%	0.224	41%	0.406	C	S	.	.	H	α-helix	trans	-67.9	-30.8	179.1	72	0	0	0	0	112.3	P157 D191 A197	P157-S193 VanDerWaalsContact CD-OG 3.25Å; P157-S193 WeakPolarHBondContact CD-OG 3.46Å; P157-S193 WeakPolarHBondContact CG-OG 3.29Å; D191-S193 PolarHBondContact O-N 3.44Å; D191-S193 WeakPolarHBondContact OD1-CA 3.19Å; D191-S193 WeakPolarHBondContact OD1-CB 3.4Å; D191-S193 PolarHBondContact OD1-N 3.46Å; D191-S193 PolarHBondContact OD1-OG 2.97Å; S193-A197 VanDerWaalsContact O-CB 3.31Å; S193-A197 WeakPolarHBondContact O-CB 3.28Å; S193-A197 PolarHBondContact O-N 3.22Å
194	Y	62.9	Low	62.7	Low	10 Å²	10	85.2 Å²	85.2	4%	0.039	42%	0.416	C	S	.	.	H	α-helix	trans	-69.4	-47.9	169.2	-175.1	-85.8	0	0	0	111.1	F29 I44 F56 D154 L190 D191 E192 H196 A197 M198	F29-Y194 HydrophobicContact CD1-CD2 4.34Å; F29-Y194 HydrophobicContact CD1-CE2 4.2Å; F29-Y194 AromaticContact CE1-CD2 3.65Å; F29-Y194 HydrophobicContact CE1-CD2 3.65Å; F29-Y194 AromaticContact CE1-CE2 3.95Å; F29-Y194 HydrophobicContact CE1-CE2 3.95Å; I44-Y194 HydrophobicContact CD1-CE2 4.42Å; F56-Y194 HydrophobicContact CE2-CE1 4.23Å; F56-Y194 WeakPolarHBondContact CE2-OH 3.25Å; F56-Y194 HydrophobicContact CZ-CE1 4.03Å; F56-Y194 AromaticContact CZ-CZ 3.98Å; D154-Y194 WeakPolarHBondContact O-CD2 3.36Å; D154-Y194 WeakPolarHBondContact O-CE2 3.19Å; L190-Y194 HydrophobicContact CB-CD1 4.3Å; L190-Y194 HydrophobicContact CD2-CD1 3.24Å; L190-Y194 HydrophobicContact CD2-CE1 3.31Å; L190-Y194 HydrophobicContact CD2-CG 4.2Å; L190-Y194 HydrophobicContact CG-CD1 4.38Å; D191-Y194 WeakPolarHBondContact O-CA 3.28Å; D191-Y194 VanDerWaalsContact O-CB 3.3Å; D191-Y194 WeakPolarHBondContact O-CB 3.26Å; D191-Y194 PolarHBondContact O-N 3.4Å; E192-Y194 VanDerWaalsContact C-N 3.29Å; E192-Y194 PolarHBondContact O-N 2.96Å; Y194-H196 VanDerWaalsContact C-N 3.34Å; Y194-H196 PolarHBondContact O-N 3.23Å; Y194-A197 PolarHBondContact O-N 2.94Å; Y194-M198 HydrophobicContact CD1-CG 3.83Å; Y194-M198 HydrophobicContact CE1-CG 3.43Å; Y194-M198 VanDerWaalsContact CE1-CG 3.43Å; Y194-M198 HydrophobicContact CE1-SD 4.06Å; Y194-M198 VanDerWaalsContact O-CG 3.31Å; Y194-M198 WeakPolarHBondContact O-CG 3.33Å; Y194-M198 PolarHBondContact O-N 2.99Å
195	E	64.5	Low	61.4	Low	88 Å²	88	83.7 Å²	83.7	41%	0.411	42%	0.417	S	S	.	.	H	α-helix	trans	-57.3	-47	178.1	-66.4	-168.7	158.2	0	0	111.1	L190 D191 E192 A197 M198 L199	L190-E195 HydrophobicContact CB-CG 3.78Å; D191-E195 PolarHBondContact O-N 3.38Å; E192-E195 PolarHBondContact O-N 2.71Å; E195-A197 PolarHBondContact O-N 2.97Å; E195-M198 PolarHBondContact O-N 2.98Å; E195-L199 WeakPolarHBondContact O-CG 3.47Å; E195-L199 PolarHBondContact O-N 2.88Å
196	H	61.2	Low	60.3	Low	122 Å²	122	81.3 Å²	81.3	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-60.6	-42.8	174.7	-75.9	-61.5	0	0	0	113.1	E192 Y194 M198 L199 K200	E192-H196 WeakPolarHBondContact O-CB 3.31Å; E192-H196 PolarHBondContact O-CD2 3.32Å; E192-H196 PolarHBondContact O-N 2.96Å; Y194-H196 VanDerWaalsContact C-N 3.34Å; Y194-H196 PolarHBondContact O-N 3.23Å; H196-M198 VanDerWaalsContact C-N 3.26Å; H196-M198 PolarHBondContact O-N 3.47Å; H196-L199 PolarHBondContact O-N 3.44Å; H196-K200 WeakPolarHBondContact O-CB 3.47Å; H196-K200 PolarHBondContact O-N 3.3Å
197	A	64.3	Low	59.2	Low	23 Å²	23	78.5 Å²	78.5	19%	0.19	39%	0.385	C	S	.	.	H	α-helix	trans	-62.6	-35.5	176.9	0	0	0	0	0	112	F29 S193 Y194 E195 K201	F29-A197 HydrophobicContact CD1-CB 3.98Å; F29-A197 HydrophobicContact CE1-CB 3.7Å; F29-A197 HydrophobicContact CE2-CB 4.47Å; F29-A197 HydrophobicContact CG-CB 4.45Å; F29-A197 HydrophobicContact CZ-CB 4.03Å; S193-A197 VanDerWaalsContact O-CB 3.31Å; S193-A197 WeakPolarHBondContact O-CB 3.28Å; S193-A197 PolarHBondContact O-N 3.22Å; Y194-A197 PolarHBondContact O-N 2.94Å; E195-A197 PolarHBondContact O-N 2.97Å; A197-K201 WeakPolarHBondContact O-CG 3.37Å; A197-K201 PolarHBondContact O-N 3.24Å
198	M	61.5	Low	58.3	Low	30 Å²	30	71.6 Å²	71.6	15%	0.148	36%	0.361	C	S	.	.	H	α-helix	trans	-72.9	-43	175.9	-63.5	-57.5	85.2	0	0	112.4	F29 Y194 E195 H196 K201 Q202 I209	F29-M198 HydrophobicContact CB-CE 3.91Å; F29-M198 HydrophobicContact CD1-CE 3.23Å; F29-M198 HydrophobicContact CE1-CE 4.1Å; F29-M198 HydrophobicContact CG-CE 3.91Å; Y194-M198 HydrophobicContact CD1-CG 3.83Å; Y194-M198 HydrophobicContact CE1-CG 3.43Å; Y194-M198 VanDerWaalsContact CE1-CG 3.43Å; Y194-M198 HydrophobicContact CE1-SD 4.06Å; Y194-M198 VanDerWaalsContact O-CG 3.31Å; Y194-M198 WeakPolarHBondContact O-CG 3.33Å; Y194-M198 PolarHBondContact O-N 2.99Å; E195-M198 PolarHBondContact O-N 2.98Å; H196-M198 VanDerWaalsContact C-N 3.26Å; H196-M198 PolarHBondContact O-N 3.47Å; M198-K201 HydrophobicContact CE-CD 4.17Å; M198-K201 PolarHBondContact O-N 2.95Å; M198-Q202 PolarHBondContact O-N 3.47Å; M198-Q202 VanDerWaalsContact O-N 3.11Å; M198-I209 HydrophobicContact CB-CD1 4.09Å; M198-I209 HydrophobicContact CG-CD1 3.7Å; M198-I209 HydrophobicContact SD-CD1 3.15Å; M198-I209 WeakPolarHBondContact SD-CD1 3.29Å
199	L	61.7	Low	57.4	Low	92 Å²	92	73.3 Å²	73.3	48%	0.482	37%	0.369	S	S	.	.	H	α-helix	trans	-62.3	-44.6	175.8	-69.7	172.6	0	0	0	111.9	E195 H196 K201 Q202 E203	E195-L199 WeakPolarHBondContact O-CG 3.47Å; E195-L199 PolarHBondContact O-N 2.88Å; H196-L199 PolarHBondContact O-N 3.44Å; L199-K201 VanDerWaalsContact C-N 3.29Å; L199-K201 PolarHBondContact O-N 3.25Å; L199-Q202 WeakPolarHBondContact O-CA 3.35Å; L199-Q202 VanDerWaalsContact O-CB 3.3Å; L199-Q202 WeakPolarHBondContact O-CB 3.32Å; L199-Q202 PolarHBondContact O-N 2.85Å; L199-E203 PolarHBondContact O-N 3.41Å
200	K	61	Low	56	Low	134 Å²	134	68.9 Å²	68.9	58%	0.583	35%	0.349	S	S	*	.	H	α-helix	trans	-62.6	-34.6	176.7	-171.7	174.5	-175.9	173.9	0	112.6	H196 Q202 E203 N204	H196-K200 WeakPolarHBondContact O-CB 3.47Å; H196-K200 PolarHBondContact O-N 3.3Å; K200-Q202 VanDerWaalsContact C-N 3.34Å; K200-E203 PolarHBondContact O-N 2.89Å; K200-N204 PolarHBondContact O-N 3.25Å; K200-N204 VanDerWaalsContact O-N 3.09Å
201	K	57.4	Low	54.9	Low	67 Å²	67	70 Å²	70	29%	0.291	36%	0.358	S	S	.	.	H	α-helix	trans	-66.8	-38.3	173.4	-81.3	-167.6	175.7	-155.7	0	112	F29 A197 M198 L199 N204 N206	F29-K201 PolarHBondContact O-NZ 3.06Å; A197-K201 WeakPolarHBondContact O-CG 3.37Å; A197-K201 PolarHBondContact O-N 3.24Å; M198-K201 HydrophobicContact CE-CD 4.17Å; M198-K201 PolarHBondContact O-N 2.95Å; L199-K201 VanDerWaalsContact C-N 3.29Å; L199-K201 PolarHBondContact O-N 3.25Å; K201-N204 PolarHBondContact O-N 3.49Å; K201-N206 HydrophobicContact CB-CB 4.37Å; K201-N206 WeakPolarHBondContact O-CB 3.44Å; K201-N206 PolarHBondContact O-N 2.86Å; K201-N206 VanDerWaalsContact O-N 3.12Å; K201-N206 PolarHBondContact O-ND2 3.42Å
202	Q	53	Low	53.6	Low	87 Å²	87	71.9 Å²	71.9	41%	0.407	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-41.7	173.8	164.7	176.1	-17.6	0	0	111.8	M198 L199 K200 N204 G205 A208	M198-Q202 PolarHBondContact O-N 3.47Å; M198-Q202 VanDerWaalsContact O-N 3.11Å; L199-Q202 WeakPolarHBondContact O-CA 3.35Å; L199-Q202 VanDerWaalsContact O-CB 3.3Å; L199-Q202 WeakPolarHBondContact O-CB 3.32Å; L199-Q202 PolarHBondContact O-N 2.85Å; K200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-N204 VanDerWaalsContact C-N 3.32Å; Q202-N204 PolarHBondContact O-N 3.32Å; Q202-G205 PolarHBondContact O-N 2.88Å; Q202-A208 HydrophobicContact CB-CB 4.14Å; Q202-A208 VanDerWaalsContact CD-CB 3.48Å; Q202-A208 HydrophobicContact CG-CB 3.74Å
203	E	53	Low	52.2	Low	156 Å²	156	69.6 Å²	69.6	73%	0.729	36%	0.361	S	S	*	.	H	α-helix	trans	-60.6	-39.5	173.4	-70.6	174.3	169.9	0	0	112.3	L199 K200 G205	L199-E203 PolarHBondContact O-N 3.41Å; K200-E203 PolarHBondContact O-N 2.89Å; E203-G205 PolarHBondContact O-N 3.26Å
204	N	55.6	Low	51.1	Low	114 Å²	114	74.4 Å²	74.4	61%	0.61	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	13.8	176.8	-70.4	-11.4	0	0	0	114.2	K200 K201 Q202 N206	K200-N204 PolarHBondContact O-N 3.25Å; K200-N204 VanDerWaalsContact O-N 3.09Å; K201-N204 PolarHBondContact O-N 3.49Å; Q202-N204 VanDerWaalsContact C-N 3.32Å; Q202-N204 PolarHBondContact O-N 3.32Å; N204-N206 VanDerWaalsContact C-N 3.25Å; N204-N206 PolarHBondContact O-N 3.43Å
205	G	48.5	Very low	49.9	Very low	37 Å²	37	79.3 Å²	79.3	38%	0.381	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	7.1	177.9	0	0	0	0	0	115.1	Q202 E203	Q202-G205 PolarHBondContact O-N 2.88Å; E203-G205 PolarHBondContact O-N 3.26Å
206	N	48.8	Very low	48.8	Very low	66 Å²	66	78.2 Å²	78.2	35%	0.353	43%	0.425	S	S	.	.	S	Bend	trans	-71.9	150	168.7	-60.1	-65.2	0	0	0	109	K201 N204 A208	K201-N206 HydrophobicContact CB-CB 4.37Å; K201-N206 WeakPolarHBondContact O-CB 3.44Å; K201-N206 PolarHBondContact O-N 2.86Å; K201-N206 VanDerWaalsContact O-N 3.12Å; K201-N206 PolarHBondContact O-ND2 3.42Å; N204-N206 VanDerWaalsContact C-N 3.25Å; N204-N206 PolarHBondContact O-N 3.43Å; N206-A208 PolarHBondContact O-N 2.91Å
207	P	44	Very low	47.7	Very low	33 Å²	33	73.1 Å²	73.1	21%	0.214	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-62.8	141.5	-176.8	31.9	-38.4	0	0	0	109.8	M40 L222 K223	M40-P207 HydrophobicContact CB-CG 3.94Å; M40-P207 HydrophobicContact CG-CG 4.04Å; P207-L222 HydrophobicContact CB-CB 3.82Å; P207-L222 HydrophobicContact CG-CB 3.99Å; P207-L222 HydrophobicContact CG-CD1 4.17Å; P207-L222 HydrophobicContact CG-CG 4.48Å; P207-L222 WeakPolarHBondContact O-CD2 3.29Å; P207-K223 WeakPolarHBondContact CA-O 3.49Å; P207-K223 WeakPolarHBondContact CB-O 3.24Å
208	A	41.4	Very low	46.6	Very low	7 Å²	7	72.8 Å²	72.8	6%	0.058	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136	-168.3	0	0	0	0	0	112.3	Q202 N206 Y210 L222 K223	Q202-A208 HydrophobicContact CB-CB 4.14Å; Q202-A208 VanDerWaalsContact CD-CB 3.48Å; Q202-A208 HydrophobicContact CG-CB 3.74Å; N206-A208 PolarHBondContact O-N 2.91Å; A208-Y210 HydrophobicContact CB-CD2 4.39Å; A208-Y210 HydrophobicContact CB-CE2 3.64Å; A208-Y210 WeakPolarHBondContact O-CD2 3.24Å; A208-Y210 WeakPolarHBondContact O-CE2 3.48Å; A208-Y210 PolarHBondContact O-N 3.4Å; A208-L222 WeakPolarHBondContact O-CA 3.2Å; A208-L222 WeakPolarHBondContact O-CD2 3.49Å; A208-K223 PolarHBondContact N-O 3.02Å; A208-K223 PolarHBondContact O-N 2.88Å; A208-K223 VanDerWaalsContact O-N 3.15Å
209	I	44.3	Very low	45.7	Very low	47 Å²	47	72.3 Å²	72.3	24%	0.241	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	104.9	-179.1	-43.8	158.6	0	0	0	111.2	P42 M198 Y220 H221 L222	P42-I209 HydrophobicContact CG-CD1 3.54Å; P42-I209 HydrophobicContact CG-CG1 3.96Å; P42-I209 HydrophobicContact CG-CG2 3.99Å; M198-I209 HydrophobicContact CB-CD1 4.09Å; M198-I209 HydrophobicContact CG-CD1 3.7Å; M198-I209 HydrophobicContact SD-CD1 3.15Å; M198-I209 WeakPolarHBondContact SD-CD1 3.29Å; I209-Y220 HydrophobicContact CG2-CD1 3.46Å; I209-Y220 VanDerWaalsContact CG2-CD1 3.46Å; I209-Y220 HydrophobicContact CG2-CG 3.95Å; I209-H221 CarbonylContact C-O 3.38Å; I209-H221 WeakPolarHBondContact CA-O 3.38Å; I209-L222 VanDerWaalsContact CA-CD2 3.49Å; I209-L222 HydrophobicContact CB-CD2 3.77Å; I209-L222 HydrophobicContact CD1-CD2 4.47Å; I209-L222 HydrophobicContact CG1-CD2 3.14Å; I209-L222 HydrophobicContact CG1-CG 4.24Å; I209-L222 HydrophobicContact CG2-CD2 4.3Å; I209-L222 VanDerWaalsContact N-CD2 3.32Å
210	Y	37.1	Very low	44.7	Very low	80 Å²	80	68.8 Å²	68.8	31%	0.314	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.7	175.1	-67.4	-85.9	0	0	0	111.3	A208 Y220 H221 K223	A208-Y210 HydrophobicContact CB-CD2 4.39Å; A208-Y210 HydrophobicContact CB-CE2 3.64Å; A208-Y210 WeakPolarHBondContact O-CD2 3.24Å; A208-Y210 WeakPolarHBondContact O-CE2 3.48Å; A208-Y210 PolarHBondContact O-N 3.4Å; Y210-Y220 CarbonylContact O-C 3.49Å; Y210-Y220 WeakPolarHBondContact O-CA 3.44Å; Y210-H221 PolarHBondContact N-O 2.94Å; Y210-H221 PolarHBondContact O-N 3.22Å; Y210-K223 HydrophobicContact CD2-CB 3.93Å; Y210-K223 HydrophobicContact CE2-CB 3.42Å; Y210-K223 VanDerWaalsContact CE2-CB 3.42Å
211	C	41.4	Very low	43.7	Very low	45 Å²	45	64.3 Å²	64.3	30%	0.304	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.7	168.9	169.5	0	0	0	0	111.4	R187 V218 K219	R187-C211 PolarHBondContact NH2-SG 3.34Å; C211-V218 HydrophobicContact CB-CG1 4.13Å; C211-V218 WeakPolarHBondContact SG-CG1 3.22Å; C211-K219 CarbonylContact C-O 3.49Å; C211-K219 WeakPolarHBondContact CA-O 3.04Å
212	E	38.6	Very low	43	Very low	95 Å²	95	61.5 Å²	61.5	44%	0.444	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.5	163	-85.1	-175.7	-167.4	0	0	110.3	K219 H221	E212-K219 HydrophobicContact CB-CB 3.97Å; E212-K219 HydrophobicContact CB-CD 3.79Å; E212-K219 HydrophobicContact CB-CG 4.39Å; E212-K219 PolarHBondContact N-O 3.4Å; E212-K219 WeakPolarHBondContact O-CA 3.39Å; E212-K219 WeakPolarHBondContact O-CB 3.45Å; E212-K219 WeakPolarHBondContact O-CG 3.45Å; E212-K219 PolarHBondContact O-N 3.1Å; E212-K219 IonicContact OE2-NZ 3.57Å; E212-H221 IonicContact OE2-NE2 3.85Å
213	T	35	Very low	42.1	Very low	96 Å²	96	60.6 Å²	60.6	59%	0.589	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.9	168	39.5	0	0	0	0	110.7	Q217 V218	T213-Q217 VanDerWaalsContact CA-O 3.28Å; T213-Q217 WeakPolarHBondContact CA-O 3.37Å; T213-V218 HydrophobicContact CG2-CG2 4.46Å
214	K	37.5	Very low	41.1	Very low	134 Å²	134	61.5 Å²	61.5	58%	0.583	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	134.5	156.9	-77.5	-159.2	180	-176.3	0	108.5	G216 Q217	K214-G216 VanDerWaalsContact C-N 3.29Å; K214-G216 PolarHBondContact O-N 2.84Å; K214-G216 VanDerWaalsContact O-N 3.17Å; K214-Q217 PolarHBondContact N-O 3.14Å; K214-Q217 PolarHBondContact O-N 3.15Å
215	S	39.3	Very low	40.1	Very low	113 Å²	113	60 Å²	60	79%	0.79	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	45.1	173.8	59	0	0	0	0	114.3	Q217	S215-Q217 VanDerWaalsContact C-N 3.26Å; S215-Q217 PolarHBondContact O-N 3.44Å
216	G	41.2	Very low	39.4	Very low	64 Å²	64	63.2 Å²	63.2	66%	0.66	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	2.7	-179.9	0	0	0	0	0	115.8	K214	K214-G216 VanDerWaalsContact C-N 3.29Å; K214-G216 PolarHBondContact O-N 2.84Å; K214-G216 VanDerWaalsContact O-N 3.17Å
217	Q	38.2	Very low	38.8	Very low	15 Å²	15	64.3 Å²	64.3	7%	0.07	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.6	178.9	-56.1	-153.9	-107.7	0	0	112.3	Y53 C68 T213 K214 S215 K219	Y53-Q217 PolarHBondContact OH-OE1 3.41Å; C68-Q217 PolarHBondContact O-NE2 3.46Å; T213-Q217 VanDerWaalsContact CA-O 3.28Å; T213-Q217 WeakPolarHBondContact CA-O 3.37Å; K214-Q217 PolarHBondContact N-O 3.14Å; K214-Q217 PolarHBondContact O-N 3.15Å; S215-Q217 VanDerWaalsContact C-N 3.26Å; S215-Q217 PolarHBondContact O-N 3.44Å; Q217-K219 PolarHBondContact O-N 3.3Å
218	V	41.1	Very low	38.4	Very low	17 Å²	17	70.1 Å²	70.1	10%	0.103	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	100.1	177.8	-174.8	0	0	0	0	108.6	C211 T213 Y220	C211-V218 HydrophobicContact CB-CG1 4.13Å; C211-V218 WeakPolarHBondContact SG-CG1 3.22Å; T213-V218 HydrophobicContact CG2-CG2 4.46Å; V218-Y220 HydrophobicContact CB-CE2 3.83Å; V218-Y220 HydrophobicContact CG1-CD2 3.88Å; V218-Y220 HydrophobicContact CG1-CE1 4.3Å; V218-Y220 HydrophobicContact CG1-CE2 3.07Å; V218-Y220 WeakPolarHBondContact CG1-OH 3.38Å; V218-Y220 WeakPolarHBondContact O-CD2 3.41Å; V218-Y220 WeakPolarHBondContact O-CE2 3.45Å
219	K	41.5	Very low	38.1	Very low	20 Å²	20	73.5 Å²	73.5	9%	0.087	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	146.8	170.3	-60.2	171.8	163.5	-171.3	0	109.6	Y53 C211 E212 Q217	Y53-K219 HydrophobicContact CD2-CG 3.98Å; Y53-K219 HydrophobicContact CE2-CG 4.31Å; Y53-K219 HydrophobicContact CG-CG 4.45Å; C211-K219 CarbonylContact C-O 3.49Å; C211-K219 WeakPolarHBondContact CA-O 3.04Å; E212-K219 HydrophobicContact CB-CB 3.97Å; E212-K219 HydrophobicContact CB-CD 3.79Å; E212-K219 HydrophobicContact CB-CG 4.39Å; E212-K219 PolarHBondContact N-O 3.4Å; E212-K219 WeakPolarHBondContact O-CA 3.39Å; E212-K219 WeakPolarHBondContact O-CB 3.45Å; E212-K219 WeakPolarHBondContact O-CG 3.45Å; E212-K219 PolarHBondContact O-N 3.1Å; E212-K219 IonicContact OE2-NZ 3.57Å; Q217-K219 PolarHBondContact O-N 3.3Å
220	Y	41	Very low	37.4	Very low	17 Å²	17	81.3 Å²	81.3	7%	0.067	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.2	178	-68.4	-109.3	0	0	0	110	F56 I209 Y210 V218	F56-Y220 HydrophobicContact CB-CD2 3.09Å; F56-Y220 HydrophobicContact CB-CE2 2.98Å; F56-Y220 HydrophobicContact CB-CG 3.93Å; F56-Y220 AromaticContact CD1-CE2 3.84Å; F56-Y220 HydrophobicContact CD1-CE2 3.84Å; F56-Y220 AromaticContact CD1-CZ 3.77Å; F56-Y220 AromaticContact CD2-CD1 3.77Å; F56-Y220 HydrophobicContact CD2-CD1 3.77Å; F56-Y220 AromaticContact CD2-CD2 3.76Å; F56-Y220 HydrophobicContact CD2-CD2 3.76Å; F56-Y220 AromaticContact CD2-CE1 3.64Å; F56-Y220 HydrophobicContact CD2-CE1 3.64Å; F56-Y220 AromaticContact CD2-CE2 3.61Å; F56-Y220 HydrophobicContact CD2-CE2 3.61Å; F56-Y220 AromaticContact CD2-CG 3.77Å; F56-Y220 HydrophobicContact CD2-CG 3.77Å; F56-Y220 AromaticContact CD2-CZ 3.5Å; F56-Y220 HydrophobicContact CE2-CD1 4.23Å; F56-Y220 AromaticContact CE2-CE1 3.86Å; F56-Y220 HydrophobicContact CE2-CE1 3.86Å; F56-Y220 HydrophobicContact CE2-CE2 4.49Å; F56-Y220 AromaticContact CE2-CZ 3.95Å; F56-Y220 HydrophobicContact CG-CD1 4.4Å; F56-Y220 AromaticContact CG-CD2 3.65Å; F56-Y220 HydrophobicContact CG-CD2 3.65Å; F56-Y220 HydrophobicContact CG-CE1 4.07Å; F56-Y220 AromaticContact CG-CE2 3.23Å; F56-Y220 HydrophobicContact CG-CE2 3.23Å; F56-Y220 HydrophobicContact CG-CG 4.17Å; F56-Y220 AromaticContact CG-CZ 3.43Å; F56-Y220 VanDerWaalsContact CG-CZ 3.43Å; F56-Y220 HydrophobicContact CZ-CE1 4.45Å; I209-Y220 HydrophobicContact CG2-CD1 3.46Å; I209-Y220 VanDerWaalsContact CG2-CD1 3.46Å; I209-Y220 HydrophobicContact CG2-CG 3.95Å; Y210-Y220 CarbonylContact O-C 3.49Å; Y210-Y220 WeakPolarHBondContact O-CA 3.44Å; V218-Y220 HydrophobicContact CB-CE2 3.83Å; V218-Y220 HydrophobicContact CG1-CD2 3.88Å; V218-Y220 HydrophobicContact CG1-CE1 4.3Å; V218-Y220 HydrophobicContact CG1-CE2 3.07Å; V218-Y220 WeakPolarHBondContact CG1-OH 3.38Å; V218-Y220 WeakPolarHBondContact O-CD2 3.41Å; V218-Y220 WeakPolarHBondContact O-CE2 3.45Å
221	H	41	Very low	36.9	Very low	41 Å²	41	83.7 Å²	83.7	19%	0.19	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.1	-178.6	-62.1	-92.5	0	0	0	110.7	I209 Y210 E212	I209-H221 CarbonylContact C-O 3.38Å; I209-H221 WeakPolarHBondContact CA-O 3.38Å; Y210-H221 PolarHBondContact N-O 2.94Å; Y210-H221 PolarHBondContact O-N 3.22Å; E212-H221 IonicContact OE2-NE2 3.85Å
222	L	40.8	Very low	36.1	Very low	7 Å²	7	88.4 Å²	88.4	4%	0.037	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.8	167.4	-64.6	-177.5	0	0	0	111.5	A31 F39 M40 P207 A208 I209	A31-L222 HydrophobicContact CB-CD1 3.69Å; F39-L222 WeakPolarHBondContact CD1-O 3Å; M40-L222 VanDerWaalsContact C-CB 3.45Å; M40-L222 HydrophobicContact CB-CB 3.58Å; M40-L222 HydrophobicContact CB-CD1 3.22Å; M40-L222 HydrophobicContact CB-CG 3.82Å; M40-L222 WeakPolarHBondContact O-CB 3.42Å; M40-L222 WeakPolarHBondContact O-CG 3.28Å; M40-L222 PolarHBondContact O-N 3.47Å; M40-L222 VanDerWaalsContact O-N 3.09Å; P207-L222 HydrophobicContact CB-CB 3.82Å; P207-L222 HydrophobicContact CG-CB 3.99Å; P207-L222 HydrophobicContact CG-CD1 4.17Å; P207-L222 HydrophobicContact CG-CG 4.48Å; P207-L222 WeakPolarHBondContact O-CD2 3.29Å; A208-L222 WeakPolarHBondContact O-CA 3.2Å; A208-L222 WeakPolarHBondContact O-CD2 3.49Å; I209-L222 VanDerWaalsContact CA-CD2 3.49Å; I209-L222 HydrophobicContact CB-CD2 3.77Å; I209-L222 HydrophobicContact CD1-CD2 4.47Å; I209-L222 HydrophobicContact CG1-CD2 3.14Å; I209-L222 HydrophobicContact CG1-CG 4.24Å; I209-L222 HydrophobicContact CG2-CD2 4.3Å; I209-L222 VanDerWaalsContact N-CD2 3.32Å
223	K	35.4	Very low	35.5	Very low	68 Å²	68	93.1 Å²	93.1	30%	0.296	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	136.3	170.7	-158.2	178.9	-178.3	-179.1	0	110	P207 A208 Y210 D229	P207-K223 WeakPolarHBondContact CA-O 3.49Å; P207-K223 WeakPolarHBondContact CB-O 3.24Å; A208-K223 PolarHBondContact N-O 3.02Å; A208-K223 PolarHBondContact O-N 2.88Å; A208-K223 VanDerWaalsContact O-N 3.15Å; Y210-K223 HydrophobicContact CD2-CB 3.93Å; Y210-K223 HydrophobicContact CE2-CB 3.42Å; Y210-K223 VanDerWaalsContact CE2-CB 3.42Å; K223-D229 WeakPolarHBondContact CE-OD2 3.49Å; K223-D229 IonicContact NZ-OD2 2.98Å; K223-D229 PolarHBondContact NZ-OD2 3.46Å
224	K	32.7	Very low	35	Very low	176 Å²	176	93 Å²	93	77%	0.765	51%	0.506	S	S	*	.			trans	-57.9	150.4	169.8	-73.9	179.6	-178.9	173	0	110.2
225	N	34	Very low	34.5	Very low	83 Å²	83	89.8 Å²	89.8	44%	0.444	51%	0.505	S	S	.	.			trans	-35	122.6	-176.4	-173	-12.8	0	0	0	112.6	A227 N228	N225-A227 PolarHBondContact O-N 3.28Å; N225-A227 PolarHBondContact OD1-N 3.21Å; N225-N228 PolarHBondContact O-N 3.11Å
226	P	33.5	Very low	33.8	Very low	103 Å²	103	89.5 Å²	89.5	67%	0.669	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-58.4	-13.6	-176.9	21.3	-33	0	0	0	114.9	N228	P226-N228 PolarHBondContact O-N 3.5Å
227	A	35.5	Very low	32.9	Very low	89 Å²	89	96.9 Å²	96.9	74%	0.736	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-62.9	-18.8	175.7	0	0	0	0	0	114.6	N225	N225-A227 PolarHBondContact O-N 3.28Å; N225-A227 PolarHBondContact OD1-N 3.21Å
228	N	35.2	Very low	32.2	Very low	156 Å²	156	100.7 Å²	100.7	83%	0.834	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-122	16.6	-171.1	-148.7	15.6	0	0	0	115.4	N225 P226	N225-N228 PolarHBondContact O-N 3.11Å; P226-N228 PolarHBondContact O-N 3.5Å
229	D	36.3	Very low	31.3	Very low	77 Å²	77	103.7 Å²	103.7	41%	0.412	57%	0.57	S	S	.	*			trans	-134.2	94	178.8	-163.7	8.7	0	0	0	110.8	K223 N231	K223-D229 WeakPolarHBondContact CE-OD2 3.49Å; K223-D229 IonicContact NZ-OD2 2.98Å; K223-D229 PolarHBondContact NZ-OD2 3.46Å; D229-N231 PolarHBondContact O-N 3.22Å; D229-N231 VanDerWaalsContact O-N 3.16Å
230	K	29	Very low	30.7	Very low	212 Å²	212	107.9 Å²	107.9	92%	0.922	60%	0.599	S	S	*	*			trans	-68.7	-2.6	-178.7	-71.8	-174.8	177.1	-179.6	0	113.9	N232	K230-N232 PolarHBondContact O-N 3.09Å
231	N	27	Very low	29.8	Very low	129 Å²	129	112 Å²	112	69%	0.69	63%	0.631	S	S	*	*			trans	-93.5	85.4	173.3	-71.6	-15.5	0	0	0	110.1	D229 F233	D229-N231 PolarHBondContact O-N 3.22Å; D229-N231 VanDerWaalsContact O-N 3.16Å; N231-F233 PolarHBondContact O-N 3.22Å
232	N	24.2	Very low	29.2	Very low	145 Å²	145	116.9 Å²	116.9	78%	0.775	67%	0.668	S	S	*	*			trans	-22.2	121.7	154.1	-107.1	-22.5	0	0	0	112.8	K230	K230-N232 PolarHBondContact O-N 3.09Å
233	F	25.8	Very low	28.3	Very low	194 Å²	194	118.7 Å²	118.7	85%	0.851	69%	0.689	S	S	*	*			trans	-146.3	122.2	132.8	-93.8	-75.8	0	0	0	108	N231 A235	N231-F233 PolarHBondContact O-N 3.22Å; F233-A235 PolarHBondContact O-N 3.34Å
234	S	24.4	Very low	27.6	Very low	92 Å²	92	123.3 Å²	123.3	64%	0.643	72%	0.717	S	S	*	*			trans	-29.1	121.7	173.8	48.7	0	0	0	0	113.3	C236	S234-C236 PolarHBondContact O-N 3.41Å; S234-C236 VanDerWaalsContact O-N 3.08Å
235	A	26.5	Very low	27.4	Very low	68 Å²	68	126.8 Å²	126.8	56%	0.562	74%	0.741	S	S	*	*			trans	-46.6	119.7	157.4	0	0	0	0	0	107.7	F233 R237	F233-A235 PolarHBondContact O-N 3.34Å; A235-R237 PolarHBondContact O-N 2.96Å
236	C	26.2	Very low	27.1	Very low	107 Å²	107	129 Å²	129	72%	0.723	76%	0.756	S	S	*	*			trans	-60.9	90.2	173.1	-73.2	0	0	0	0	108.4	S234 A238	S234-C236 PolarHBondContact O-N 3.41Å; S234-C236 VanDerWaalsContact O-N 3.08Å; C236-A238 PolarHBondContact O-N 3.49Å
237	R	21.6	Very low	26.7	Very low	218 Å²	218	130.3 Å²	130.3	82%	0.823	76%	0.76	S	S	*	*			trans	-39.3	125.8	133.8	-77.2	-176.8	-94.5	-145.7	-3	105.2	A235 A239	A235-R237 PolarHBondContact O-N 2.96Å; R237-A239 PolarHBondContact O-N 3.05Å
238	A	24	Very low	26.2	Very low	95 Å²	95	132.6 Å²	132.6	79%	0.785	76%	0.761	S	S	*	*	S	Bend	trans	-33.1	115	174.1	0	0	0	0	0	108	C236 P240	C236-A238 PolarHBondContact O-N 3.49Å; A238-P240 WeakPolarHBondContact O-CD 3.22Å
239	A	22.8	Very low	25.7	Very low	81 Å²	81	131.2 Å²	131.2	67%	0.669	76%	0.757	S	S	*	*			trans	-44	114.1	-167.3	0	0	0	0	0	108.9	R237 S241	R237-A239 PolarHBondContact O-N 3.05Å; A239-S241 PolarHBondContact O-N 3.03Å
240	P	28.1	Very low	25.1	Very low	107 Å²	107	134.6 Å²	134.6	70%	0.695	78%	0.779	S	S	*	*	S	Bend	trans	-64.4	135.9	166.8	16.4	-9.4	0	0	0	105.6	A238	A238-P240 WeakPolarHBondContact O-CD 3.22Å
241	S	23.1	Very low	24.8	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	77%	0.769	S	S	*	*			trans	58.1	87.5	173.6	61.9	0	0	0	0	116.9	A239	A239-S241 PolarHBondContact O-N 3.03Å
242	C	26.5	Very low	24.6	Very low	143 Å²	143	129.5 Å²	129.5	97%	0.966	78%	0.775	S	S	*	*				-96.9	63.5	124.4	-75.8	0	0	0	0	107.4
243	G	22.1	Very low	24.7	Very low	46 Å²	46	128.3 Å²	128.3	47%	0.474	78%	0.775	S	S	.	*			trans	-95.4	150.9	143.6	0	0	0	0	0	106.9
244	N	21.4	Very low	24.6	Very low	165 Å²	165	122.8 Å²	122.8	88%	0.882	77%	0.769	S	S	*	*			trans	100.2	99.3	178.1	-60.6	-12.3	0	0	0	115.8
245	I	28.6	Very low	24.6	Very low	248 Å²	248	125.6 Å²	125.6	100%	1.272	78%	0.78	S	S	*	*			trans	89.9	0	161.3	-43.9	167.8	0	0	0	114.5

Retrieved 245 of 245 residues in 175 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).