A0A077ZB39_TRITR Loading...

Zf-H2C2 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	36.7	Very low	230 Å²	230	141.6 Å²	141.6	100%	1.133	70%	0.702	S	S	*	*				0	113.2	0	-66.8	-163.9	83.3	0	0	109.1	V3	M1-V3 PolarHBondContact O-N 3Å; M1-V3 VanDerWaalsContact O-N 3.12Å
2	F	29.4	Very low	37.8	Very low	203 Å²	203	134.3 Å²	134.3	89%	0.89	67%	0.674	S	S	*	*			trans	-72.9	96.5	178.2	-66.3	-87.9	0	0	0	109.2	F4	F2-F4 PolarHBondContact O-N 3.17Å
3	V	38.2	Very low	38.1	Very low	97 Å²	97	127.2 Å²	127.2	59%	0.588	64%	0.644	S	S	*	*			trans	-71.9	102.9	170.6	-179.4	0	0	0	0	106.5	M1 C5	M1-V3 PolarHBondContact O-N 3Å; M1-V3 VanDerWaalsContact O-N 3.12Å; V3-C5 VanDerWaalsContact C-N 3.32Å; V3-C5 PolarHBondContact O-N 3.49Å
4	F	31.2	Very low	38.5	Very low	194 Å²	194	126.1 Å²	126.1	85%	0.851	65%	0.654	S	S	*	*			trans	-51	98.1	168.2	-82.7	-91.3	0	0	0	108.5	F2 W6	F2-F4 PolarHBondContact O-N 3.17Å; F4-W6 VanDerWaalsContact C-N 3.32Å; F4-W6 PolarHBondContact O-N 3.23Å
5	C	36.7	Very low	39.1	Very low	53 Å²	53	130.9 Å²	130.9	36%	0.358	67%	0.668	S	S	.	*			trans	-71.6	93.6	175.8	-170.1	0	0	0	0	107	V3 C7 V18	V3-C5 VanDerWaalsContact C-N 3.32Å; V3-C5 PolarHBondContact O-N 3.49Å; C5-C7 PolarHBondContact O-N 3.05Å; C5-C7 VanDerWaalsContact SG-CB 3.54Å; C5-C7 PolarHBondContact SG-SG 3.26Å; C5-V18 HydrophobicContact CB-CG2 4.29Å
6	W	34	Very low	39.9	Very low	176 Å²	176	127.1 Å²	127.1	67%	0.667	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-65.6	11.6	178.1	-152	-2.4	0	0	0	113.2	F4 L8 R9 M134	F4-W6 VanDerWaalsContact C-N 3.32Å; F4-W6 PolarHBondContact O-N 3.23Å; W6-L8 PolarHBondContact O-N 3.39Å; W6-L8 VanDerWaalsContact O-N 3.09Å; W6-R9 PolarHBondContact O-N 3.13Å; W6-R9 VanDerWaalsContact O-N 3.1Å; W6-M134 HydrophobicContact CB-CE 3.77Å
7	C	39.9	Very low	40.8	Very low	29 Å²	29	125 Å²	125	20%	0.196	64%	0.643	C	S	.	*	G	3₁₀ helix	trans	-56.7	-19.4	176	-82.8	0	0	0	0	114	C5 R9 N10 C13	C5-C7 PolarHBondContact O-N 3.05Å; C5-C7 VanDerWaalsContact SG-CB 3.54Å; C5-C7 PolarHBondContact SG-SG 3.26Å; C7-R9 PolarHBondContact O-N 2.81Å; C7-N10 VanDerWaalsContact O-O 3.09Å; C7-C13 HydrophobicContact CB-CB 4.11Å
8	L	35.9	Very low	41.4	Very low	175 Å²	175	123.8 Å²	123.8	92%	0.916	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-64.6	-24.7	174.2	-91.2	100	0	0	0	113.6	W6	W6-L8 PolarHBondContact O-N 3.39Å; W6-L8 VanDerWaalsContact O-N 3.09Å
9	R	40	Very low	42	Very low	203 Å²	203	120.4 Å²	120.4	77%	0.766	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-90.6	-10.5	-175.1	-160.9	149.4	174.9	160.3	-6.1	114.6	W6 C7	W6-R9 PolarHBondContact O-N 3.13Å; W6-R9 VanDerWaalsContact O-N 3.1Å; C7-R9 PolarHBondContact O-N 2.81Å
10	N	40.4	Very low	42.7	Very low	94 Å²	94	116.2 Å²	116.2	50%	0.503	62%	0.617	S	S	.	*	S	Bend	trans	-118.5	116.8	171.6	-78.3	-37.5	0	0	0	108.8	C7 C12	C7-N10 VanDerWaalsContact O-O 3.09Å; N10-C12 PolarHBondContact O-N 3.4Å
11	A	44.7	Very low	43.2	Very low	104 Å²	104	112.1 Å²	112.1	86%	0.86	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	27.9	-174.6	0	0	0	0	0	116.5
12	C	49	Very low	44.1	Very low	53 Å²	53	103.2 Å²	103.2	36%	0.358	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.9	-8.8	-178.6	-74.7	0	0	0	0	114.8	N10	N10-C12 PolarHBondContact O-N 3.4Å
13	C	41.6	Very low	45.3	Very low	42 Å²	42	101.5 Å²	101.5	28%	0.284	55%	0.552	S	S	.	*			trans	-118.7	71.1	-175.7	-69.4	0	0	0	0	112.9	C7 K15	C7-C13 HydrophobicContact CB-CB 4.11Å; C13-K15 VanDerWaalsContact C-N 3.34Å
14	S	44.4	Very low	46.1	Very low	113 Å²	113	101.7 Å²	101.7	79%	0.79	54%	0.542	S	S	*	.	S	Bend	trans	-80.6	-6	174.8	-47	0	0	0	0	114.4
15	K	47	Very low	46.9	Very low	198 Å²	198	96.1 Å²	96.1	86%	0.861	52%	0.518	S	S	*	.	S	Bend	trans	-141.6	12.4	-167.8	-66.8	-169.3	179.4	-179.8	0	118.5	C13	C13-K15 VanDerWaalsContact C-N 3.34Å
16	I	51.8	Low	47.8	Very low	69 Å²	69	96.1 Å²	96.1	35%	0.354	52%	0.521	S	S	.	.			trans	-119.5	117.9	-179.9	-56.7	175.3	0	0	0	110.8	A20 V21 C118	I16-A20 HydrophobicContact CG2-CB 4.23Å; I16-V21 HydrophobicContact CG2-CG2 3.64Å; I16-C118 HydrophobicContact CD1-CB 3.79Å; I16-C118 WeakPolarHBondContact CD1-O 3.45Å
17	T	55.2	Low	48.8	Very low	92 Å²	92	94.7 Å²	94.7	56%	0.564	52%	0.516	S	S	*	.			trans	-79	150.5	174.7	64.2	0	0	0	0	111.2	A19 A20 V21	T17-A19 PolarHBondContact O-N 3.09Å; T17-A20 WeakPolarHBondContact O-CB 3.42Å; T17-A20 PolarHBondContact O-N 3.33Å; T17-V21 PolarHBondContact O-N 3.12Å
18	V	52.6	Low	49.2	Very low	104 Å²	104	95.4 Å²	95.4	63%	0.63	52%	0.515	S	S	*	.	H	α-helix	trans	-53.6	-37.1	178.8	177.5	0	0	0	0	112.1	C5 A20 V21 G22	C5-V18 HydrophobicContact CB-CG2 4.29Å; V18-A20 PolarHBondContact O-N 3.22Å; V18-V21 WeakPolarHBondContact O-CB 3.28Å; V18-V21 PolarHBondContact O-N 2.87Å; V18-G22 PolarHBondContact O-N 3.1Å; V18-G22 VanDerWaalsContact O-N 3.13Å
19	A	52.7	Low	50	Low	58 Å²	58	89.5 Å²	89.5	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-66.2	-35.9	177.7	0	0	0	0	0	113.4	T17 G22 R23	T17-A19 PolarHBondContact O-N 3.09Å; A19-G22 PolarHBondContact O-N 2.83Å; A19-R23 PolarHBondContact O-N 3.48Å
20	A	55.6	Low	50.8	Low	36 Å²	36	89.5 Å²	89.5	30%	0.298	49%	0.488	S	S	.	.	H	α-helix	trans	-68.4	-36.5	176.4	0	0	0	0	0	111.7	I16 T17 V18 R24	I16-A20 HydrophobicContact CG2-CB 4.23Å; T17-A20 WeakPolarHBondContact O-CB 3.42Å; T17-A20 PolarHBondContact O-N 3.33Å; V18-A20 PolarHBondContact O-N 3.22Å; A20-R24 PolarHBondContact O-N 2.91Å
21	V	52.4	Low	51.3	Low	32 Å²	32	93.8 Å²	93.8	19%	0.194	50%	0.497	C	S	.	.	H	α-helix	trans	-59.7	-49.8	171.8	178	0	0	0	0	110.5	I16 T17 V18 R23 R24 F25 F135	I16-V21 HydrophobicContact CG2-CG2 3.64Å; T17-V21 PolarHBondContact O-N 3.12Å; V18-V21 WeakPolarHBondContact O-CB 3.28Å; V18-V21 PolarHBondContact O-N 2.87Å; V21-R23 PolarHBondContact O-N 3.44Å; V21-R24 PolarHBondContact O-N 3.11Å; V21-R24 VanDerWaalsContact O-N 3.11Å; V21-F25 PolarHBondContact O-N 3.39Å; V21-F135 HydrophobicContact CB-CE1 4.28Å; V21-F135 HydrophobicContact CG1-CD1 3.67Å; V21-F135 HydrophobicContact CG1-CE1 3.19Å; V21-F135 HydrophobicContact CG1-CZ 3.94Å; V21-F135 HydrophobicContact CG2-CE1 4.11Å; V21-F135 HydrophobicContact CG2-CZ 4.3Å
22	G	52.4	Low	51.5	Low	43 Å²	43	94 Å²	94	44%	0.443	48%	0.483	S	S	.	.	H	α-helix	trans	-58.1	-45.6	-177.9	0	0	0	0	0	113.4	V18 A19 R24 F25 A26	V18-G22 PolarHBondContact O-N 3.1Å; V18-G22 VanDerWaalsContact O-N 3.13Å; A19-G22 PolarHBondContact O-N 2.83Å; G22-R24 VanDerWaalsContact C-N 3.31Å; G22-R24 PolarHBondContact O-N 3.07Å; G22-F25 PolarHBondContact O-N 3.11Å; G22-A26 PolarHBondContact O-N 3.39Å; G22-A26 VanDerWaalsContact O-N 3.11Å
23	R	56.1	Low	51.6	Low	167 Å²	167	94.6 Å²	94.6	63%	0.63	49%	0.486	S	S	*	.	H	α-helix	trans	-64.7	-32.5	176.5	-70.2	-169.6	-70.2	-103.1	4.1	113.1	A19 V21 R27	A19-R23 PolarHBondContact O-N 3.48Å; V21-R23 PolarHBondContact O-N 3.44Å; R23-R27 PolarHBondContact O-N 3.11Å
24	R	54.1	Low	51.9	Low	100 Å²	100	97.7 Å²	97.7	38%	0.377	50%	0.5	S	S	.	.	H	α-helix	trans	-79.4	-34.1	179	-163.1	155.1	169.9	171.5	2	112.1	A20 V21 G22 R27 Y28 K116 L117	A20-R24 PolarHBondContact O-N 2.91Å; V21-R24 PolarHBondContact O-N 3.11Å; V21-R24 VanDerWaalsContact O-N 3.11Å; G22-R24 VanDerWaalsContact C-N 3.31Å; G22-R24 PolarHBondContact O-N 3.07Å; R24-R27 PolarHBondContact O-N 2.84Å; R24-Y28 PolarHBondContact O-N 2.89Å; R24-K116 PolarHBondContact NE-O 3.17Å; R24-K116 PolarHBondContact NH2-O 3.3Å; R24-K116 VanDerWaalsContact NH2-O 3.07Å; R24-L117 WeakPolarHBondContact CD-O 3.4Å; R24-L117 WeakPolarHBondContact CG-O 3.21Å; R24-L117 PolarHBondContact NE-O 2.7Å; R24-L117 VanDerWaalsContact NE-O 3.09Å
25	F	48.6	Very low	52.2	Low	78 Å²	78	99 Å²	99	34%	0.342	49%	0.494	S	S	.	.	H	α-helix	trans	-58.6	-50.9	169.6	-170	-95	0	0	0	111.1	V21 G22 R27 Y28 S29 F136	V21-F25 PolarHBondContact O-N 3.39Å; G22-F25 PolarHBondContact O-N 3.11Å; F25-R27 PolarHBondContact O-N 3.34Å; F25-R27 VanDerWaalsContact O-N 3.17Å; F25-Y28 CarbonylContact O-C 3.58Å; F25-Y28 WeakPolarHBondContact O-CA 3.5Å; F25-Y28 PolarHBondContact O-N 3.47Å; F25-S29 WeakPolarHBondContact CD1-OG 3.12Å; F25-S29 VanDerWaalsContact CE1-OG 3.28Å; F25-S29 WeakPolarHBondContact CE1-OG 3.47Å; F25-S29 PolarHBondContact O-N 3.45Å; F25-S29 PolarHBondContact O-OG 3.09Å; F25-S29 VanDerWaalsContact O-OG 3.07Å; F25-F136 AromaticContact CE2-CD1 3.86Å; F25-F136 HydrophobicContact CE2-CD1 3.86Å; F25-F136 AromaticContact CE2-CE1 3.48Å; F25-F136 HydrophobicContact CE2-CE1 3.48Å; F25-F136 VanDerWaalsContact CE2-CE1 3.48Å; F25-F136 HydrophobicContact CE2-CZ 4.09Å; F25-F136 HydrophobicContact CZ-CD1 4.24Å; F25-F136 AromaticContact CZ-CE1 3.99Å; F25-F136 HydrophobicContact CZ-CE1 3.99Å
26	A	54.4	Low	52.1	Low	53 Å²	53	96.5 Å²	96.5	44%	0.438	49%	0.49	S	S	.	.	H	α-helix	trans	-56.7	-34.7	178.1	0	0	0	0	0	113.5	G22	G22-A26 PolarHBondContact O-N 3.39Å; G22-A26 VanDerWaalsContact O-N 3.11Å
27	R	55.9	Low	51.7	Low	146 Å²	146	100 Å²	100	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-70.6	-31	174	-76.2	-169.7	-72.6	-170	-1.7	113.4	R23 R24 F25	R23-R27 PolarHBondContact O-N 3.11Å; R24-R27 PolarHBondContact O-N 2.84Å; F25-R27 PolarHBondContact O-N 3.34Å; F25-R27 VanDerWaalsContact O-N 3.17Å
28	Y	48.5	Very low	51.2	Low	43 Å²	43	101.3 Å²	101.3	17%	0.169	50%	0.5	C	S	.	.	H	α-helix	trans	-87.1	-33	179.4	-154.9	-68.3	0	0	0	112.5	R24 F25 R30 R31 L32 K116 L117 Y146	R24-Y28 PolarHBondContact O-N 2.89Å; F25-Y28 CarbonylContact O-C 3.58Å; F25-Y28 WeakPolarHBondContact O-CA 3.5Å; F25-Y28 PolarHBondContact O-N 3.47Å; Y28-R30 PolarHBondContact O-N 3.07Å; Y28-R30 VanDerWaalsContact O-N 3.09Å; Y28-R31 CarbonylContact O-C 3.27Å; Y28-R31 VanDerWaalsContact O-C 3.27Å; Y28-R31 VanDerWaalsContact O-CA 3.32Å; Y28-R31 WeakPolarHBondContact O-CA 3.34Å; Y28-R31 PolarHBondContact O-N 3.43Å; Y28-L32 PolarHBondContact O-N 3.32Å; Y28-K116 HydrophobicContact CE2-CB 4.26Å; Y28-L117 HydrophobicContact CD1-CD2 4.2Å; Y28-L117 HydrophobicContact CD2-CD2 3.5Å; Y28-L117 VanDerWaalsContact CD2-CD2 3.5Å; Y28-L117 HydrophobicContact CE2-CD2 4.23Å; Y28-L117 HydrophobicContact CG-CD2 3.44Å; Y28-L117 VanDerWaalsContact CG-CD2 3.44Å; Y28-Y146 AromaticContact CD1-CD1 3.99Å; Y28-Y146 HydrophobicContact CD1-CD1 3.99Å; Y28-Y146 AromaticContact CD1-CE1 3.16Å; Y28-Y146 HydrophobicContact CD1-CE1 3.16Å; Y28-Y146 AromaticContact CD1-CZ 3.82Å; Y28-Y146 HydrophobicContact CD2-CD1 4.22Å; Y28-Y146 HydrophobicContact CD2-CE1 4.18Å; Y28-Y146 AromaticContact CE1-CD1 3.51Å; Y28-Y146 HydrophobicContact CE1-CD1 3.51Å; Y28-Y146 AromaticContact CE1-CE1 2.81Å; Y28-Y146 HydrophobicContact CE1-CE1 2.81Å; Y28-Y146 HydrophobicContact CE1-CE2 4.27Å; Y28-Y146 HydrophobicContact CE1-CG 4.48Å; Y28-Y146 AromaticContact CE1-CZ 3.23Å; Y28-Y146 VanDerWaalsContact CE1-OH 3.29Å; Y28-Y146 WeakPolarHBondContact CE1-OH 3.36Å; Y28-Y146 AromaticContact CE2-CD1 3.66Å; Y28-Y146 HydrophobicContact CE2-CD1 3.66Å; Y28-Y146 AromaticContact CE2-CE1 3.84Å; Y28-Y146 HydrophobicContact CE2-CE1 3.84Å; Y28-Y146 HydrophobicContact CG-CD1 4.34Å; Y28-Y146 AromaticContact CG-CE1 3.87Å; Y28-Y146 HydrophobicContact CG-CE1 3.87Å; Y28-Y146 AromaticContact CZ-CD1 3.24Å; Y28-Y146 AromaticContact CZ-CE1 3.14Å; Y28-Y146 AromaticContact CZ-CZ 3.77Å; Y28-Y146 WeakPolarHBondContact OH-CD1 3.06Å
29	S	52.2	Low	50.6	Low	51 Å²	51	101.5 Å²	101.5	36%	0.357	51%	0.505	S	S	.	.	H	α-helix	trans	-54.9	-30.3	174.6	-53.5	0	0	0	0	112.4	F25 R31	F25-S29 WeakPolarHBondContact CD1-OG 3.12Å; F25-S29 VanDerWaalsContact CE1-OG 3.28Å; F25-S29 WeakPolarHBondContact CE1-OG 3.47Å; F25-S29 PolarHBondContact O-N 3.45Å; F25-S29 PolarHBondContact O-OG 3.09Å; F25-S29 VanDerWaalsContact O-OG 3.07Å; S29-R31 VanDerWaalsContact C-N 3.26Å; S29-R31 PolarHBondContact O-N 3.12Å
30	R	57	Low	50.1	Low	204 Å²	204	106.4 Å²	106.4	77%	0.77	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-11.7	172.3	-65.7	-165.4	-67.3	-127	6.5	115	Y28	Y28-R30 PolarHBondContact O-N 3.07Å; Y28-R30 VanDerWaalsContact O-N 3.09Å
31	R	52	Low	49.4	Very low	183 Å²	183	110.9 Å²	110.9	69%	0.691	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	31.1	-179.7	-74.9	-166.1	-103.8	-135	-3.2	111.6	Y28 S29 P33	Y28-R31 CarbonylContact O-C 3.27Å; Y28-R31 VanDerWaalsContact O-C 3.27Å; Y28-R31 VanDerWaalsContact O-CA 3.32Å; Y28-R31 WeakPolarHBondContact O-CA 3.34Å; Y28-R31 PolarHBondContact O-N 3.43Å; S29-R31 VanDerWaalsContact C-N 3.26Å; S29-R31 PolarHBondContact O-N 3.12Å; R31-P33 WeakPolarHBondContact O-CD 2.93Å
32	L	48.4	Very low	49.1	Very low	108 Å²	108	114.3 Å²	114.3	57%	0.565	57%	0.565	S	S	*	*			trans	-64.7	114.5	161.4	-79.3	160.5	0	0	0	106.4	Y28 Y146	Y28-L32 PolarHBondContact O-N 3.32Å; L32-Y146 WeakPolarHBondContact CD2-OH 3.44Å
33	P	49.6	Very low	48.7	Very low	66 Å²	66	121.2 Å²	121.2	43%	0.429	58%	0.583	S	S	.	*			trans	-62.1	141	170.7	25.4	-30.8	0	0	0	108.5	R31 E35	R31-P33 WeakPolarHBondContact O-CD 2.93Å; P33-E35 PolarHBondContact O-N 3.1Å
34	D	49.1	Very low	48.3	Very low	108 Å²	108	118.9 Å²	118.9	58%	0.578	59%	0.589	S	S	*	*			trans	-57.2	137.2	178.2	-169.9	-87.9	0	0	0	109.1	N36 E37	D34-N36 PolarHBondContact O-N 3.17Å; D34-N36 WeakPolarHBondContact OD1-CB 3.43Å; D34-N36 PolarHBondContact OD1-N 3.32Å; D34-E37 PolarHBondContact O-N 3.25Å
35	E	49.6	Very low	48.5	Very low	141 Å²	141	124 Å²	124	66%	0.659	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-58.9	-15.4	-176.5	-70.6	-110.6	101.7	0	0	112.1	P33 R38	P33-E35 PolarHBondContact O-N 3.1Å; E35-R38 WeakPolarHBondContact O-CB 3.35Å; E35-R38 IonicContact OE1-CZ 3.41Å; E35-R38 IonicContact OE1-NH1 3.62Å; E35-R38 IonicContact OE1-NH2 2.74Å; E35-R38 PolarHBondContact OE1-NH2 3.19Å
36	N	46.1	Very low	48.8	Very low	144 Å²	144	129.7 Å²	129.7	77%	0.77	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-82.2	-18.7	178.1	-161.7	44.7	0	0	0	115.4	D34 R38	D34-N36 PolarHBondContact O-N 3.17Å; D34-N36 WeakPolarHBondContact OD1-CB 3.43Å; D34-N36 PolarHBondContact OD1-N 3.32Å; N36-R38 PolarHBondContact O-N 2.9Å; N36-R38 VanDerWaalsContact O-N 3.16Å
37	E	43.1	Very low	49.1	Very low	143 Å²	143	132.9 Å²	132.9	67%	0.668	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-76.4	1.6	175.9	-63.9	-177.9	92.5	0	0	112.4	D34 S39	D34-E37 PolarHBondContact O-N 3.25Å; E37-S39 PolarHBondContact O-N 3.48Å
38	R	43.8	Very low	49.1	Very low	120 Å²	120	135.6 Å²	135.6	45%	0.453	67%	0.674	S	S	.	*			trans	-77.5	54.3	-178	-160.8	-176.2	-88.9	168.9	5	111.6	E35 N36 F40 A142	E35-R38 WeakPolarHBondContact O-CB 3.35Å; E35-R38 IonicContact OE1-CZ 3.41Å; E35-R38 IonicContact OE1-NH1 3.62Å; E35-R38 IonicContact OE1-NH2 2.74Å; E35-R38 PolarHBondContact OE1-NH2 3.19Å; N36-R38 PolarHBondContact O-N 2.9Å; N36-R38 VanDerWaalsContact O-N 3.16Å; R38-F40 PolarHBondContact O-N 2.97Å; R38-A142 VanDerWaalsContact NH2-CB 3.31Å
39	S	39.9	Very low	49.7	Very low	108 Å²	108	136.5 Å²	136.5	76%	0.755	70%	0.697	S	S	*	*			trans	-79.4	58	166.5	58.8	0	0	0	0	110.6	E37 V41	E37-S39 PolarHBondContact O-N 3.48Å; S39-V41 PolarHBondContact O-N 2.74Å
40	F	43.2	Very low	50.3	Low	161 Å²	161	144.5 Å²	144.5	71%	0.706	73%	0.725	S	S	*	*			trans	-69.3	104.2	164.4	-131.1	-95.3	0	0	0	106.4	R38 S42	R38-F40 PolarHBondContact O-N 2.97Å; F40-S42 VanDerWaalsContact C-N 3.26Å; F40-S42 PolarHBondContact O-N 2.86Å
41	V	41.7	Very low	50.4	Low	129 Å²	129	146.1 Å²	146.1	78%	0.782	73%	0.731	S	S	*	*			trans	-53.7	97.8	170.8	175.9	0	0	0	0	107.2	S39 K43	S39-V41 PolarHBondContact O-N 2.74Å; V41-K43 PolarHBondContact O-N 3.43Å; V41-K43 VanDerWaalsContact O-N 3.07Å
42	S	45.5	Very low	51	Low	105 Å²	105	142.9 Å²	142.9	73%	0.734	74%	0.737	S	S	*	*			trans	-66.8	109.6	171.5	-70.8	0	0	0	0	105.5	F40	F40-S42 VanDerWaalsContact C-N 3.26Å; F40-S42 PolarHBondContact O-N 2.86Å
43	K	43	Very low	52	Low	187 Å²	187	141.2 Å²	141.2	81%	0.813	74%	0.738	S	S	*	*			trans	-50.7	134	167.1	-81.7	-176.2	177.2	177.1	0	107.5	V41 K45	V41-K43 PolarHBondContact O-N 3.43Å; V41-K43 VanDerWaalsContact O-N 3.07Å; K43-K45 PolarHBondContact O-N 3.32Å; K43-K45 VanDerWaalsContact O-N 3.15Å
44	P	48.8	Very low	53.3	Low	119 Å²	119	143.3 Å²	143.3	77%	0.773	75%	0.75	S	S	*	*			trans	-54.3	125.8	-176.3	18.7	-30.5	0	0	0	109.5	K46	P44-K46 PolarHBondContact O-N 3.08Å
45	K	59	Low	54.8	Low	207 Å²	207	145.5 Å²	145.5	90%	0.9	75%	0.754	S	S	*	*			trans	-62.2	103.4	170.4	-70.1	179.7	-179.5	172	0	106.6	K43 S47	K43-K45 PolarHBondContact O-N 3.32Å; K43-K45 VanDerWaalsContact O-N 3.15Å; K45-S47 PolarHBondContact O-N 3.09Å
46	K	53.6	Low	56.6	Low	197 Å²	197	142.2 Å²	142.2	86%	0.857	74%	0.738	S	S	*	*			trans	-59	115.3	166.1	-75.4	-172	177.8	179.3	0	107.2	P44 K48	P44-K46 PolarHBondContact O-N 3.08Å; K46-K48 PolarHBondContact O-N 3.1Å; K46-K48 VanDerWaalsContact O-N 3.12Å
47	S	60.3	Low	58.6	Low	121 Å²	121	140.1 Å²	140.1	85%	0.846	72%	0.724	S	S	*	*			trans	-57.5	115.3	176	-156.5	0	0	0	0	108.1	K45 G49	K45-S47 PolarHBondContact O-N 3.09Å; S47-G49 PolarHBondContact O-N 2.96Å
48	K	56.8	Low	60.6	Low	202 Å²	202	133.4 Å²	133.4	88%	0.878	69%	0.692	S	S	*	*			trans	-74.2	107.4	174.6	-75.7	-177.1	177.3	166.6	0	106.8	K46	K46-K48 PolarHBondContact O-N 3.1Å; K46-K48 VanDerWaalsContact O-N 3.12Å
49	G	61.5	Low	62.6	Low	63 Å²	63	137.2 Å²	137.2	65%	0.649	71%	0.712	S	S	*	*			trans	-50	141.6	169.7	0	0	0	0	0	111	S47 R51	S47-G49 PolarHBondContact O-N 2.96Å; G49-R51 PolarHBondContact O-N 2.73Å
50	K	63.6	Low	64.8	Low	218 Å²	218	137.7 Å²	137.7	95%	0.948	71%	0.706	S	S	*	*			trans	-62.1	102.4	177.3	-61.2	175.2	-176.4	173.8	0	108.3
51	R	60.2	Low	66.9	Low	238 Å²	238	132.5 Å²	132.5	90%	0.898	69%	0.689	S	S	*	*			trans	-82.5	126.4	165.3	-72.4	-175.5	-166.7	176.1	2.5	107.7	G49 A53	G49-R51 PolarHBondContact O-N 2.73Å; R51-A53 PolarHBondContact O-N 3.22Å
52	S	63.5	Low	68.9	Low	116 Å²	116	133.2 Å²	133.2	81%	0.811	68%	0.684	S	S	*	*			trans	-52.8	124.2	174.8	-157.1	0	0	0	0	109.5	T54	S52-T54 PolarHBondContact O-N 3.11Å
53	A	69.4	Low	71	Confident	72 Å²	72	131.5 Å²	131.5	60%	0.595	67%	0.668	S	S	*	*			trans	-78.3	88.9	-171.1	0	0	0	0	0	110.4	R51 K55	R51-A53 PolarHBondContact O-N 3.22Å; A53-K55 PolarHBondContact O-N 3.28Å
54	T	77.2	Confident	73.2	Confident	111 Å²	111	128.2 Å²	128.2	68%	0.681	66%	0.656	S	S	*	*			trans	-74.1	112.3	164.2	46.9	0	0	0	0	108.8	S52	S52-T54 PolarHBondContact O-N 3.11Å
55	K	82.2	Confident	75.1	Confident	153 Å²	153	124 Å²	124	67%	0.665	63%	0.626	S	S	*	*			trans	-66.2	142.5	177	-63.2	178.7	-178.7	-179.2	0	110	A53 F65	A53-K55 PolarHBondContact O-N 3.28Å; K55-F65 CarbonylContact C-O 3.49Å; K55-F65 WeakPolarHBondContact CA-O 3.46Å
56	K	86.5	Confident	76.5	Confident	72 Å²	72	120 Å²	120	31%	0.313	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	128.7	176.6	-65.7	-165.4	178.6	-173.1	0	110	F65 S68 F71	K56-F65 PolarHBondContact N-O 2.79Å; K56-F65 WeakPolarHBondContact O-CB 3.45Å; K56-F65 PolarHBondContact O-N 3.39Å; K56-S68 PolarHBondContact NZ-OG 2.94Å; K56-F71 HydrophobicContact CB-CB 4.04Å; K56-F71 HydrophobicContact CB-CD1 4.34Å; K56-F71 HydrophobicContact CB-CD2 4.02Å; K56-F71 HydrophobicContact CB-CG 3.87Å; K56-F71 HydrophobicContact CD-CB 4.25Å; K56-F71 HydrophobicContact CD-CD1 3.83Å; K56-F71 HydrophobicContact CD-CE1 4.44Å; K56-F71 HydrophobicContact CD-CG 4.11Å
57	Q	87.3	Confident	78.1	Confident	101 Å²	101	112.9 Å²	112.9	47%	0.472	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	137.4	179.2	-169.6	178.5	22.5	0	0	111.1	E62 E64 F71	Q57-E62 PolarHBondContact NE2-O 3.44Å; Q57-E62 VanDerWaalsContact NE2-O 3.13Å; Q57-E64 HydrophobicContact CB-CG 4.29Å; Q57-E64 HydrophobicContact CG-CG 4.02Å; Q57-F71 WeakPolarHBondContact O-CE2 3.44Å
58	C	86.2	Confident	79.4	Confident	1 Å²	1	109.5 Å²	109.5	1%	0.007	57%	0.565	C	S	.	*			trans	-77.2	120.6	169.7	-173	0	0	0	0	110.5	L60 E62 V63 F65 F71 H74 H79	C58-L60 PolarHBondContact O-N 2.99Å; C58-L60 PolarHBondContact SG-N 3.29Å; C58-E62 WeakPolarHBondContact O-CA 3.29Å; C58-E62 PolarHBondContact O-N 2.86Å; C58-V63 PolarHBondContact N-O 3.42Å; C58-F65 HydrophobicContact CB-CE2 4.25Å; C58-F71 HydrophobicContact CB-CE2 4.2Å; C58-H74 WeakPolarHBondContact CB-NE2 3.46Å; C58-H74 PolarHBondContact SG-NE2 3.06Å; C58-H79 PolarHBondContact SG-NE2 3.06Å
59	K	85.9	Confident	80.7	Confident	201 Å²	201	106.3 Å²	106.3	87%	0.874	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-13	177.4	-62.8	-174.3	178.3	-174.1	0	114
60	L	85.2	Confident	82	Confident	118 Å²	118	105 Å²	105	62%	0.618	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-19.8	-178.1	-62.6	173	0	0	0	113	C58 H79	C58-L60 PolarHBondContact O-N 2.99Å; C58-L60 PolarHBondContact SG-N 3.29Å; L60-H79 WeakPolarHBondContact CB-CE1 3.46Å; L60-H79 HydrophobicContact CD1-CB 3.89Å
61	C	88.5	Confident	83.2	Confident	51 Å²	51	96.2 Å²	96.2	35%	0.345	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147	9.9	179.1	76.9	0	0	0	0	113.8	V63 H74	C61-V63 PolarHBondContact O-N 3.26Å; C61-V63 VanDerWaalsContact SG-CG2 3.6Å; C61-H74 PolarHBondContact SG-CE1 3.02Å; C61-H74 PolarHBondContact SG-NE2 2.86Å
62	E	81.8	Confident	84.4	Confident	145 Å²	145	88.5 Å²	88.5	68%	0.678	47%	0.465	S	S	*	.			trans	60	7.2	174.6	-60.9	179.2	-171.4	0	0	117.2	Q57 C58 E64	Q57-E62 PolarHBondContact NE2-O 3.44Å; Q57-E62 VanDerWaalsContact NE2-O 3.13Å; C58-E62 WeakPolarHBondContact O-CA 3.29Å; C58-E62 PolarHBondContact O-N 2.86Å; E62-E64 PolarHBondContact O-N 3.04Å
63	V	89.9	Confident	85.5	Confident	68 Å²	68	85.1 Å²	85.1	41%	0.412	44%	0.437	S	S	.	.			trans	-69.9	131.7	177.4	-180	0	0	0	0	110.8	C58 C61 F65	C58-V63 PolarHBondContact N-O 3.42Å; C61-V63 PolarHBondContact O-N 3.26Å; C61-V63 VanDerWaalsContact SG-CG2 3.6Å; V63-F65 HydrophobicContact CB-CE2 3.87Å; V63-F65 HydrophobicContact CB-CZ 3.95Å; V63-F65 HydrophobicContact CG1-CD2 4.43Å; V63-F65 HydrophobicContact CG1-CE1 4.05Å; V63-F65 HydrophobicContact CG1-CE2 3.66Å; V63-F65 HydrophobicContact CG1-CZ 3.4Å; V63-F65 VanDerWaalsContact CG1-CZ 3.4Å; V63-F65 WeakPolarHBondContact O-CD2 3.12Å; V63-F65 VanDerWaalsContact O-CE2 3.23Å; V63-F65 WeakPolarHBondContact O-CE2 3.18Å
64	E	90.6	Very high	86.3	Confident	118 Å²	118	82.9 Å²	82.9	55%	0.551	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	143.6	176.3	-63.2	-163.8	108	0	0	113	Q57 E62	Q57-E64 HydrophobicContact CB-CG 4.29Å; Q57-E64 HydrophobicContact CG-CG 4.02Å; E62-E64 PolarHBondContact O-N 3.04Å
65	F	89	Confident	86.8	Confident	32 Å²	32	79 Å²	79	14%	0.14	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.3	-178.4	-60.9	-86.4	0	0	0	111	K55 K56 C58 V63 S67 F71 H74	K55-F65 CarbonylContact C-O 3.49Å; K55-F65 WeakPolarHBondContact CA-O 3.46Å; K56-F65 PolarHBondContact N-O 2.79Å; K56-F65 WeakPolarHBondContact O-CB 3.45Å; K56-F65 PolarHBondContact O-N 3.39Å; C58-F65 HydrophobicContact CB-CE2 4.25Å; V63-F65 HydrophobicContact CB-CE2 3.87Å; V63-F65 HydrophobicContact CB-CZ 3.95Å; V63-F65 HydrophobicContact CG1-CD2 4.43Å; V63-F65 HydrophobicContact CG1-CE1 4.05Å; V63-F65 HydrophobicContact CG1-CE2 3.66Å; V63-F65 HydrophobicContact CG1-CZ 3.4Å; V63-F65 VanDerWaalsContact CG1-CZ 3.4Å; V63-F65 WeakPolarHBondContact O-CD2 3.12Å; V63-F65 VanDerWaalsContact O-CE2 3.23Å; V63-F65 WeakPolarHBondContact O-CE2 3.18Å; F65-S67 VanDerWaalsContact C-N 3.31Å; F65-S67 PolarHBondContact O-N 3.2Å; F65-F71 HydrophobicContact CB-CB 3.95Å; F65-F71 HydrophobicContact CD2-CB 4.13Å; F65-F71 AromaticContact CD2-CD2 3.76Å; F65-F71 HydrophobicContact CD2-CD2 3.76Å; F65-F71 HydrophobicContact CD2-CG 4.46Å; F65-F71 HydrophobicContact CE2-CD2 4.27Å; F65-F71 HydrophobicContact CG-CB 4.07Å; F65-H74 HydrophobicContact CE1-CB 3.62Å; F65-H74 HydrophobicContact CE2-CB 3.92Å; F65-H74 AromaticContact CE2-CD2 3.62Å; F65-H74 AromaticContact CE2-CG 3.65Å; F65-H74 HydrophobicContact CZ-CB 3.24Å; F65-H74 AromaticContact CZ-CD2 3.66Å; F65-H74 AromaticContact CZ-CG 3.16Å; F65-H74 AromaticContact CZ-ND1 3.59Å
66	N	88	Confident	86.9	Confident	122 Å²	122	73.3 Å²	73.3	65%	0.652	36%	0.364	S	S	*	.	S	Bend	trans	-84.6	-0.9	177.6	64.9	8.6	0	0	0	114.2
67	S	87.5	Confident	86.7	Confident	47 Å²	47	72.7 Å²	72.7	33%	0.329	38%	0.377	S	S	.	.	S	Bend	trans	-144.6	140.2	-175.9	171.3	0	0	0	0	110.3	F65 R69 S70 F71	F65-S67 VanDerWaalsContact C-N 3.31Å; F65-S67 PolarHBondContact O-N 3.2Å; S67-R69 PolarHBondContact O-N 3.5Å; S67-R69 PolarHBondContact OG-N 2.72Å; S67-S70 WeakPolarHBondContact CB-OG 3.32Å; S67-S70 PolarHBondContact O-N 3.47Å; S67-S70 PolarHBondContact O-OG 3.13Å; S67-F71 PolarHBondContact O-N 3.27Å; S67-F71 VanDerWaalsContact O-N 3.11Å
68	S	86.2	Confident	86.5	Confident	51 Å²	51	73.6 Å²	73.6	36%	0.357	38%	0.384	S	S	.	.	H	α-helix	trans	-57.9	-31.6	172.7	-166.5	0	0	0	0	111.9	K56 H72	K56-S68 PolarHBondContact NZ-OG 2.94Å; S68-H72 PolarHBondContact O-CD2 3.44Å; S68-H72 PolarHBondContact O-N 3.03Å; S68-H72 VanDerWaalsContact O-N 3.15Å
69	R	85.5	Confident	86.5	Confident	135 Å²	135	76.2 Å²	76.2	51%	0.509	40%	0.397	S	S	.	.	H	α-helix	trans	-69.2	-47.7	-178.4	-176.6	63.9	-162.3	-172.3	-2.9	111.5	S67 H72 D73	S67-R69 PolarHBondContact O-N 3.5Å; S67-R69 PolarHBondContact OG-N 2.72Å; R69-H72 PolarHBondContact O-N 2.79Å; R69-D73 IonicContact CZ-OD1 3.27Å; R69-D73 VanDerWaalsContact CZ-OD1 3.27Å; R69-D73 IonicContact NE-OD1 2.99Å; R69-D73 PolarHBondContact NE-OD1 3.13Å; R69-D73 IonicContact NE-OD2 3.24Å; R69-D73 PolarHBondContact NE-OD2 2.88Å; R69-D73 IonicContact NH2-OD1 2.63Å; R69-D73 PolarHBondContact NH2-OD1 3.11Å; R69-D73 WeakPolarHBondContact O-CB 3.29Å; R69-D73 PolarHBondContact O-N 3.5Å
70	S	87.4	Confident	86	Confident	36 Å²	36	68.7 Å²	68.7	25%	0.252	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-38.3	179.6	47	0	0	0	0	111.9	S67 D73 H74	S67-S70 WeakPolarHBondContact CB-OG 3.32Å; S67-S70 PolarHBondContact O-N 3.47Å; S67-S70 PolarHBondContact O-OG 3.13Å; S70-D73 PolarHBondContact O-N 3.17Å; S70-H74 WeakPolarHBondContact O-CB 3.46Å; S70-H74 PolarHBondContact O-N 3.24Å
71	F	88.4	Confident	85.2	Confident	33 Å²	33	67.8 Å²	67.8	15%	0.145	38%	0.375	C	S	.	.	H	α-helix	trans	-56.7	-50.9	171.9	174.8	-110.4	0	0	0	112.6	K56 Q57 C58 F65 S67 H74 L75	K56-F71 HydrophobicContact CB-CB 4.04Å; K56-F71 HydrophobicContact CB-CD1 4.34Å; K56-F71 HydrophobicContact CB-CD2 4.02Å; K56-F71 HydrophobicContact CB-CG 3.87Å; K56-F71 HydrophobicContact CD-CB 4.25Å; K56-F71 HydrophobicContact CD-CD1 3.83Å; K56-F71 HydrophobicContact CD-CE1 4.44Å; K56-F71 HydrophobicContact CD-CG 4.11Å; Q57-F71 WeakPolarHBondContact O-CE2 3.44Å; C58-F71 HydrophobicContact CB-CE2 4.2Å; F65-F71 HydrophobicContact CB-CB 3.95Å; F65-F71 HydrophobicContact CD2-CB 4.13Å; F65-F71 AromaticContact CD2-CD2 3.76Å; F65-F71 HydrophobicContact CD2-CD2 3.76Å; F65-F71 HydrophobicContact CD2-CG 4.46Å; F65-F71 HydrophobicContact CE2-CD2 4.27Å; F65-F71 HydrophobicContact CG-CB 4.07Å; S67-F71 PolarHBondContact O-N 3.27Å; S67-F71 VanDerWaalsContact O-N 3.11Å; F71-H74 WeakPolarHBondContact O-CB 3.28Å; F71-H74 PolarHBondContact O-N 3.38Å; F71-L75 HydrophobicContact CD1-CD1 4.14Å; F71-L75 HydrophobicContact CE1-CD1 3.51Å; F71-L75 HydrophobicContact CE1-CG 4.34Å; F71-L75 HydrophobicContact CE2-CD1 4.2Å; F71-L75 HydrophobicContact CE2-CD2 4.4Å; F71-L75 HydrophobicContact CE2-CG 4.26Å; F71-L75 HydrophobicContact CZ-CD1 3.56Å; F71-L75 HydrophobicContact CZ-CD2 4.37Å; F71-L75 HydrophobicContact CZ-CG 4.11Å; F71-L75 WeakPolarHBondContact O-CG 3.2Å; F71-L75 PolarHBondContact O-N 3.2Å
72	H	86.8	Confident	84.4	Confident	76 Å²	76	67.3 Å²	67.3	35%	0.352	38%	0.375	S	S	.	.	H	α-helix	trans	-68.6	-36.1	178.3	-76.8	-67.3	0	0	0	112.9	S68 R69 H74 L75 R76	S68-H72 PolarHBondContact O-CD2 3.44Å; S68-H72 PolarHBondContact O-N 3.03Å; S68-H72 VanDerWaalsContact O-N 3.15Å; R69-H72 PolarHBondContact O-N 2.79Å; H72-H74 VanDerWaalsContact C-N 3.27Å; H72-H74 PolarHBondContact O-N 3.12Å; H72-L75 PolarHBondContact O-N 2.92Å; H72-R76 WeakPolarHBondContact O-CB 3.47Å; H72-R76 VanDerWaalsContact O-CG 3.31Å; H72-R76 WeakPolarHBondContact O-CG 3.2Å; H72-R76 PolarHBondContact O-N 3.05Å
73	D	85.1	Confident	84	Confident	45 Å²	45	65.8 Å²	65.8	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-41.4	174.7	-72	-10.2	0	0	0	110.6	R69 S70 R76 G77 Y96	R69-D73 IonicContact CZ-OD1 3.27Å; R69-D73 VanDerWaalsContact CZ-OD1 3.27Å; R69-D73 IonicContact NE-OD1 2.99Å; R69-D73 PolarHBondContact NE-OD1 3.13Å; R69-D73 IonicContact NE-OD2 3.24Å; R69-D73 PolarHBondContact NE-OD2 2.88Å; R69-D73 IonicContact NH2-OD1 2.63Å; R69-D73 PolarHBondContact NH2-OD1 3.11Å; R69-D73 WeakPolarHBondContact O-CB 3.29Å; R69-D73 PolarHBondContact O-N 3.5Å; S70-D73 PolarHBondContact O-N 3.17Å; D73-R76 PolarHBondContact O-N 3.5Å; D73-R76 IonicContact OD1-CZ 3.95Å; D73-R76 IonicContact OD1-NE 3.39Å; D73-R76 IonicContact OD1-NH2 3.67Å; D73-R76 PolarHBondContact OD1-NH2 2.64Å; D73-G77 PolarHBondContact O-N 2.74Å; D73-Y96 VanDerWaalsContact CA-OH 3.31Å; D73-Y96 WeakPolarHBondContact CA-OH 3.45Å; D73-Y96 WeakPolarHBondContact CB-OH 3.34Å; D73-Y96 WeakPolarHBondContact OD1-CE1 3.48Å; D73-Y96 PolarHBondContact OD1-OH 3.24Å
74	H	86.7	Confident	83.4	Confident	24 Å²	24	66.7 Å²	66.7	11%	0.111	37%	0.373	C	S	.	.	H	α-helix	trans	-61.6	-51.2	172.8	161.9	78.8	0	0	0	112.4	C58 C61 F65 S70 F71 H72 R76 G77 I78 H79	C58-H74 WeakPolarHBondContact CB-NE2 3.46Å; C58-H74 PolarHBondContact SG-NE2 3.06Å; C61-H74 PolarHBondContact SG-CE1 3.02Å; C61-H74 PolarHBondContact SG-NE2 2.86Å; F65-H74 HydrophobicContact CE1-CB 3.62Å; F65-H74 HydrophobicContact CE2-CB 3.92Å; F65-H74 AromaticContact CE2-CD2 3.62Å; F65-H74 AromaticContact CE2-CG 3.65Å; F65-H74 HydrophobicContact CZ-CB 3.24Å; F65-H74 AromaticContact CZ-CD2 3.66Å; F65-H74 AromaticContact CZ-CG 3.16Å; F65-H74 AromaticContact CZ-ND1 3.59Å; S70-H74 WeakPolarHBondContact O-CB 3.46Å; S70-H74 PolarHBondContact O-N 3.24Å; F71-H74 WeakPolarHBondContact O-CB 3.28Å; F71-H74 PolarHBondContact O-N 3.38Å; H72-H74 VanDerWaalsContact C-N 3.27Å; H72-H74 PolarHBondContact O-N 3.12Å; H74-R76 VanDerWaalsContact C-N 3.25Å; H74-R76 PolarHBondContact O-N 2.96Å; H74-G77 PolarHBondContact O-N 3.39Å; H74-I78 WeakPolarHBondContact O-CB 3.39Å; H74-I78 PolarHBondContact O-N 3.05Å; H74-H79 AromaticContact CE1-CD2 3.94Å; H74-H79 AromaticContact CE1-NE2 3.6Å; H74-H79 AromaticContact NE2-CD2 3.36Å; H74-H79 PolarHBondContact NE2-CD2 2.92Å; H74-H79 AromaticContact NE2-NE2 3.19Å; H74-H79 PolarHBondContact NE2-NE2 3.14Å; H74-H79 VanDerWaalsContact NE2-NE2 3.19Å
75	L	87.3	Confident	83	Confident	30 Å²	30	65.7 Å²	65.7	16%	0.157	37%	0.365	C	S	.	.	H	α-helix	trans	-57.7	-38.9	178.3	-70	-179.9	0	0	0	112.3	F71 H72 H79 G80 V81	F71-L75 HydrophobicContact CD1-CD1 4.14Å; F71-L75 HydrophobicContact CE1-CD1 3.51Å; F71-L75 HydrophobicContact CE1-CG 4.34Å; F71-L75 HydrophobicContact CE2-CD1 4.2Å; F71-L75 HydrophobicContact CE2-CD2 4.4Å; F71-L75 HydrophobicContact CE2-CG 4.26Å; F71-L75 HydrophobicContact CZ-CD1 3.56Å; F71-L75 HydrophobicContact CZ-CD2 4.37Å; F71-L75 HydrophobicContact CZ-CG 4.11Å; F71-L75 WeakPolarHBondContact O-CG 3.2Å; F71-L75 PolarHBondContact O-N 3.2Å; H72-L75 PolarHBondContact O-N 2.92Å; L75-H79 CarbonylContact O-C 3.54Å; L75-H79 WeakPolarHBondContact O-CA 3.3Å; L75-H79 WeakPolarHBondContact O-CB 3.4Å; L75-H79 PolarHBondContact O-N 3.04Å; L75-G80 PolarHBondContact O-N 3.47Å; L75-V81 PolarHBondContact O-N 3.31Å
76	R	84.8	Confident	82.7	Confident	34 Å²	34	67.7 Å²	67.7	13%	0.128	38%	0.38	C	S	.	.	H	α-helix	trans	-71	-39.6	178.1	-71.9	-169.3	-78.7	-87.9	-6.5	113.4	H72 D73 H74 A82 P95	H72-R76 WeakPolarHBondContact O-CB 3.47Å; H72-R76 VanDerWaalsContact O-CG 3.31Å; H72-R76 WeakPolarHBondContact O-CG 3.2Å; H72-R76 PolarHBondContact O-N 3.05Å; D73-R76 PolarHBondContact O-N 3.5Å; D73-R76 IonicContact OD1-CZ 3.95Å; D73-R76 IonicContact OD1-NE 3.39Å; D73-R76 IonicContact OD1-NH2 3.67Å; D73-R76 PolarHBondContact OD1-NH2 2.64Å; H74-R76 VanDerWaalsContact C-N 3.25Å; H74-R76 PolarHBondContact O-N 2.96Å; R76-A82 WeakPolarHBondContact CD-O 3.49Å; R76-A82 HydrophobicContact CG-CB 4.06Å; R76-A82 WeakPolarHBondContact CG-O 3.21Å; R76-P95 HydrophobicContact CB-CB 4.11Å
77	G	82.7	Confident	82.2	Confident	58 Å²	58	61.9 Å²	61.9	60%	0.598	35%	0.349	S	S	*	.	H	α-helix	trans	-81.4	-42.7	-175.2	0	0	0	0	0	113.7	D73 H74	D73-G77 PolarHBondContact O-N 2.74Å; H74-G77 PolarHBondContact O-N 3.39Å
78	I	83.7	Confident	81.9	Confident	120 Å²	120	67 Å²	67	62%	0.615	37%	0.367	S	S	*	.	H	α-helix	trans	-95.9	-43.4	-172.5	-55	-55.9	0	0	0	111.5	H74	H74-I78 WeakPolarHBondContact O-CB 3.39Å; H74-I78 PolarHBondContact O-N 3.05Å
79	H	84.8	Confident	81.6	Confident	57 Å²	57	68.4 Å²	68.4	26%	0.264	37%	0.373	S	S	.	.	S	Bend	trans	-100.4	-3.4	-177	-60.1	-63.8	0	0	0	113.7	C58 L60 H74 L75 V81	C58-H79 PolarHBondContact SG-NE2 3.06Å; L60-H79 WeakPolarHBondContact CB-CE1 3.46Å; L60-H79 HydrophobicContact CD1-CB 3.89Å; H74-H79 AromaticContact CE1-CD2 3.94Å; H74-H79 AromaticContact CE1-NE2 3.6Å; H74-H79 AromaticContact NE2-CD2 3.36Å; H74-H79 PolarHBondContact NE2-CD2 2.92Å; H74-H79 AromaticContact NE2-NE2 3.19Å; H74-H79 PolarHBondContact NE2-NE2 3.14Å; H74-H79 VanDerWaalsContact NE2-NE2 3.19Å; L75-H79 CarbonylContact O-C 3.54Å; L75-H79 WeakPolarHBondContact O-CA 3.3Å; L75-H79 WeakPolarHBondContact O-CB 3.4Å; L75-H79 PolarHBondContact O-N 3.04Å; H79-V81 HydrophobicContact CB-CG2 3.7Å; H79-V81 PolarHBondContact O-N 3.31Å; H79-V81 VanDerWaalsContact O-N 3.08Å
80	G	76.3	Confident	81.5	Confident	43 Å²	43	64 Å²	64	44%	0.443	36%	0.362	S	S	.	.			trans	65.8	10.8	176.2	0	0	0	0	0	115.4	L75 A82	L75-G80 PolarHBondContact O-N 3.47Å; G80-A82 PolarHBondContact O-N 3.43Å
81	V	69.3	Low	81.3	Confident	98 Å²	98	67.6 Å²	67.6	59%	0.594	38%	0.383	S	S	*	.			trans	-64.1	-20.6	-165.7	-180	0	0	0	0	113.4	L75 H79	L75-V81 PolarHBondContact O-N 3.31Å; H79-V81 HydrophobicContact CB-CG2 3.7Å; H79-V81 PolarHBondContact O-N 3.31Å; H79-V81 VanDerWaalsContact O-N 3.08Å
82	A	71.3	Confident	80.9	Confident	42 Å²	42	72.2 Å²	72.2	35%	0.347	40%	0.403	S	S	.	.			trans	-156.1	112.1	175.2	0	0	0	0	0	113.8	R76 G80 P84	R76-A82 WeakPolarHBondContact CD-O 3.49Å; R76-A82 HydrophobicContact CG-CB 4.06Å; R76-A82 WeakPolarHBondContact CG-O 3.21Å; G80-A82 PolarHBondContact O-N 3.43Å; A82-P84 VanDerWaalsContact C-CD 3.48Å; A82-P84 WeakPolarHBondContact O-CD 3.35Å
83	K	73.5	Confident	80.7	Confident	112 Å²	112	71.5 Å²	71.5	49%	0.487	41%	0.406	S	S	.	.			trans	-115	76.4	164.6	-65.6	174.2	-178.9	177.1	0	109.3	Y85 C93 F94	K83-Y85 PolarHBondContact O-N 3.15Å; K83-C93 HydrophobicContact CB-CB 3.71Å; K83-C93 HydrophobicContact CD-CB 4.16Å; K83-F94 CarbonylContact C-O 3.37Å; K83-F94 WeakPolarHBondContact CA-O 3.29Å
84	P	76.3	Confident	80.5	Confident	87 Å²	87	71.2 Å²	71.2	57%	0.565	40%	0.403	S	S	*	.			trans	-73.9	-12.8	-169.8	29.4	-34.4	0	0	0	113.9	A82	A82-P84 VanDerWaalsContact C-CD 3.48Å; A82-P84 WeakPolarHBondContact O-CD 3.35Å
85	Y	82.1	Confident	80.2	Confident	98 Å²	98	71.5 Å²	71.5	38%	0.384	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	102.9	-173.6	-60.1	-76.1	0	0	0	110.8	K83 C93 F94 A97	K83-Y85 PolarHBondContact O-N 3.15Å; Y85-C93 CarbonylContact O-C 3.39Å; Y85-F94 PolarHBondContact N-O 2.63Å; Y85-F94 PolarHBondContact O-N 3.49Å; Y85-A97 HydrophobicContact CD1-CB 4Å; Y85-A97 VanDerWaalsContact CD2-N 3.26Å; Y85-A97 HydrophobicContact CE1-CB 3.62Å; Y85-A97 HydrophobicContact CE2-CB 4.26Å; Y85-A97 HydrophobicContact CG-CB 4.48Å
86	V	82.2	Confident	79.9	Confident	73 Å²	73	72.6 Å²	72.6	44%	0.442	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136	-178.4	-171.3	0	0	0	0	110.4	C93	V86-C93 HydrophobicContact CG2-CB 4.49Å
87	C	78.8	Confident	79.7	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	42%	0.423	C	S	.	.			trans	-74.6	122.5	169	-178.7	0	0	0	0	109.7	V89 T91 K92 F94 L100 H103 H107	C87-V89 PolarHBondContact O-N 3.36Å; C87-V89 PolarHBondContact SG-N 3.09Å; C87-V89 VanDerWaalsContact SG-N 3.44Å; C87-T91 WeakPolarHBondContact O-CA 3.15Å; C87-T91 PolarHBondContact O-N 2.83Å; C87-K92 PolarHBondContact N-O 3Å; C87-F94 HydrophobicContact CB-CE2 4.2Å; C87-L100 HydrophobicContact CB-CD1 3.82Å; C87-H103 WeakPolarHBondContact CB-NE2 3.36Å; C87-H103 VanDerWaalsContact SG-CD2 3.58Å; C87-H103 PolarHBondContact SG-NE2 3.31Å; C87-H107 PolarHBondContact SG-NE2 2.92Å; C87-H107 VanDerWaalsContact SG-NE2 3.37Å
88	H	81.9	Confident	79.6	Confident	155 Å²	155	74.1 Å²	74.1	72%	0.718	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.9	178.2	62.9	-85.2	0	0	0	113.3
89	V	78.2	Confident	79.4	Confident	80 Å²	80	70.3 Å²	70.3	49%	0.485	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-38.8	-177.6	-171.4	0	0	0	0	112.6	C87 H107	C87-V89 PolarHBondContact O-N 3.36Å; C87-V89 PolarHBondContact SG-N 3.09Å; C87-V89 VanDerWaalsContact SG-N 3.44Å; V89-H107 HydrophobicContact CG1-CB 4.43Å; V89-H107 VanDerWaalsContact CG1-CE1 3.47Å; V89-H107 WeakPolarHBondContact CG1-CE1 3.34Å; V89-H107 VanDerWaalsContact CG1-ND1 3.27Å; V89-H107 WeakPolarHBondContact CG1-ND1 3.18Å; V89-H107 HydrophobicContact CG2-CB 4.41Å
90	C	83.5	Confident	79.2	Confident	42 Å²	42	68.9 Å²	68.9	28%	0.284	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	14.3	-178.9	67	0	0	0	0	114.5	K92 H103 H107	C90-K92 PolarHBondContact O-N 3.37Å; C90-H103 VanDerWaalsContact SG-CE1 3.53Å; C90-H103 PolarHBondContact SG-NE2 3.37Å; C90-H107 PolarHBondContact SG-NE2 3.43Å
91	T	83.2	Confident	79.4	Confident	112 Å²	112	73.9 Å²	73.9	69%	0.687	40%	0.404	S	S	*	.			trans	54.2	16.3	177.3	63.9	0	0	0	0	115.6	C87	C87-T91 WeakPolarHBondContact O-CA 3.15Å; C87-T91 PolarHBondContact O-N 2.83Å
92	K	81.1	Confident	79.6	Confident	130 Å²	130	72.8 Å²	72.8	57%	0.565	40%	0.395	S	S	*	.			trans	-72.8	133.5	175.7	-72	-170.2	-179	-161.7	0	111.3	C87 C90 F94	C87-K92 PolarHBondContact N-O 3Å; C90-K92 PolarHBondContact O-N 3.37Å; K92-F94 HydrophobicContact CB-CE2 3.82Å; K92-F94 HydrophobicContact CB-CZ 4.04Å; K92-F94 WeakPolarHBondContact O-CD2 3.39Å; K92-F94 WeakPolarHBondContact O-CE2 3.15Å
93	C	81.9	Confident	79.9	Confident	62 Å²	62	71.7 Å²	71.7	42%	0.419	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.4	179.7	-49	0	0	0	0	112.3	K83 Y85 V86	K83-C93 HydrophobicContact CB-CB 3.71Å; K83-C93 HydrophobicContact CD-CB 4.16Å; Y85-C93 CarbonylContact O-C 3.39Å; V86-C93 HydrophobicContact CG2-CB 4.49Å
94	F	80.3	Confident	79.9	Confident	38 Å²	38	68.9 Å²	68.9	17%	0.167	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.1	-178.3	-63.5	-85.4	0	0	0	111.8	K83 Y85 C87 K92 Y96 L100 H103	K83-F94 CarbonylContact C-O 3.37Å; K83-F94 WeakPolarHBondContact CA-O 3.29Å; Y85-F94 PolarHBondContact N-O 2.63Å; Y85-F94 PolarHBondContact O-N 3.49Å; C87-F94 HydrophobicContact CB-CE2 4.2Å; K92-F94 HydrophobicContact CB-CE2 3.82Å; K92-F94 HydrophobicContact CB-CZ 4.04Å; K92-F94 WeakPolarHBondContact O-CD2 3.39Å; K92-F94 WeakPolarHBondContact O-CE2 3.15Å; F94-Y96 VanDerWaalsContact C-N 3.34Å; F94-L100 HydrophobicContact CB-CB 4.24Å; F94-L100 HydrophobicContact CD2-CB 4.12Å; F94-L100 HydrophobicContact CD2-CD1 3.76Å; F94-L100 HydrophobicContact CE2-CD1 4.1Å; F94-L100 HydrophobicContact CG-CB 4.33Å; F94-H103 HydrophobicContact CE1-CB 3.83Å; F94-H103 AromaticContact CE1-CG 3.98Å; F94-H103 HydrophobicContact CE2-CB 3.85Å; F94-H103 AromaticContact CE2-CD2 3.31Å; F94-H103 WeakPolarHBondContact CE2-CD2 3.31Å; F94-H103 AromaticContact CE2-CG 3.45Å; F94-H103 VanDerWaalsContact CE2-CG 3.45Å; F94-H103 AromaticContact CE2-ND1 3.99Å; F94-H103 AromaticContact CE2-NE2 3.76Å; F94-H103 HydrophobicContact CZ-CB 3.46Å; F94-H103 VanDerWaalsContact CZ-CB 3.46Å; F94-H103 AromaticContact CZ-CD2 3.5Å; F94-H103 AromaticContact CZ-CE1 3.78Å; F94-H103 AromaticContact CZ-CG 3.12Å; F94-H103 AromaticContact CZ-ND1 3.34Å; F94-H103 VanDerWaalsContact CZ-ND1 3.34Å; F94-H103 WeakPolarHBondContact CZ-ND1 3.33Å; F94-H103 AromaticContact CZ-NE2 3.87Å
95	P	80.9	Confident	79.8	Confident	31 Å²	31	67 Å²	67	20%	0.201	36%	0.355	C	S	.	.	S	Bend	trans	-75	-21.6	178.7	29.4	-34.7	0	0	0	113.5	R76	R76-P95 HydrophobicContact CB-CB 4.11Å
96	Y	80.7	Confident	79.3	Confident	53 Å²	53	65.7 Å²	65.7	21%	0.208	35%	0.354	C	S	.	.	S	Bend	trans	-135.1	146.2	-175	-51.2	-57.5	0	0	0	112.5	D73 F94 S98 S99 L100	D73-Y96 VanDerWaalsContact CA-OH 3.31Å; D73-Y96 WeakPolarHBondContact CA-OH 3.45Å; D73-Y96 WeakPolarHBondContact CB-OH 3.34Å; D73-Y96 WeakPolarHBondContact OD1-CE1 3.48Å; D73-Y96 PolarHBondContact OD1-OH 3.24Å; F94-Y96 VanDerWaalsContact C-N 3.34Å; Y96-S98 VanDerWaalsContact C-N 3.26Å; Y96-S98 PolarHBondContact O-N 3.07Å; Y96-S99 WeakPolarHBondContact O-CB 3.38Å; Y96-S99 PolarHBondContact O-N 2.96Å; Y96-S99 VanDerWaalsContact O-N 3.12Å; Y96-L100 PolarHBondContact O-N 3.23Å
97	A	81.8	Confident	78.8	Confident	50 Å²	50	65.6 Å²	65.6	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-38.8	172.6	0	0	0	0	0	112.1	Y85 S99 L100 Y101	Y85-A97 HydrophobicContact CD1-CB 4Å; Y85-A97 VanDerWaalsContact CD2-N 3.26Å; Y85-A97 HydrophobicContact CE1-CB 3.62Å; Y85-A97 HydrophobicContact CE2-CB 4.26Å; Y85-A97 HydrophobicContact CG-CB 4.48Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-S99 PolarHBondContact O-N 3.38Å; A97-L100 PolarHBondContact O-N 2.91Å; A97-Y101 WeakPolarHBondContact O-CB 3.41Å; A97-Y101 PolarHBondContact O-N 3.03Å
98	S	80.4	Confident	78.4	Confident	74 Å²	74	68 Å²	68	52%	0.517	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-36.6	176.6	54	0	0	0	0	112.5	Y96 N102	Y96-S98 VanDerWaalsContact C-N 3.26Å; Y96-S98 PolarHBondContact O-N 3.07Å; S98-N102 WeakPolarHBondContact O-CB 3.46Å; S98-N102 PolarHBondContact O-N 3.36Å; S98-N102 PolarHBondContact O-ND2 2.88Å; S98-N102 VanDerWaalsContact O-ND2 3.14Å
99	S	79.1	Confident	77.4	Confident	39 Å²	39	66 Å²	66	27%	0.273	37%	0.366	S	S	.	.	H	α-helix	trans	-67.2	-44.6	173.8	-59.6	0	0	0	0	111.3	Y96 A97 N102 H103	Y96-S99 WeakPolarHBondContact O-CB 3.38Å; Y96-S99 PolarHBondContact O-N 2.96Å; Y96-S99 VanDerWaalsContact O-N 3.12Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-S99 PolarHBondContact O-N 3.38Å; S99-N102 PolarHBondContact O-N 3.13Å; S99-H103 WeakPolarHBondContact O-CB 3.46Å; S99-H103 PolarHBondContact O-N 2.95Å
100	L	80.4	Confident	77.1	Confident	27 Å²	27	65.5 Å²	65.5	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-47.4	173.7	173.7	65.2	0	0	0	111.1	C87 F94 Y96 A97 N102 H103 L104	C87-L100 HydrophobicContact CB-CD1 3.82Å; F94-L100 HydrophobicContact CB-CB 4.24Å; F94-L100 HydrophobicContact CD2-CB 4.12Å; F94-L100 HydrophobicContact CD2-CD1 3.76Å; F94-L100 HydrophobicContact CE2-CD1 4.1Å; F94-L100 HydrophobicContact CG-CB 4.33Å; Y96-L100 PolarHBondContact O-N 3.23Å; A97-L100 PolarHBondContact O-N 2.91Å; L100-N102 PolarHBondContact O-N 3.08Å; L100-H103 CarbonylContact O-C 3.56Å; L100-H103 WeakPolarHBondContact O-CA 3.24Å; L100-H103 WeakPolarHBondContact O-CB 2.92Å; L100-H103 PolarHBondContact O-N 3.16Å; L100-L104 HydrophobicContact CD1-CD2 4.35Å; L100-L104 HydrophobicContact CD1-CG 4.16Å; L100-L104 HydrophobicContact CG-CD1 4.26Å; L100-L104 HydrophobicContact CG-CG 4.34Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.27Å
101	Y	79.8	Confident	76.6	Confident	149 Å²	149	69 Å²	69	58%	0.584	37%	0.368	S	S	*	.	H	α-helix	trans	-59.1	-44.6	179.1	179.2	-101.4	0	0	0	112.1	A97 H103 L104 K105	A97-Y101 WeakPolarHBondContact O-CB 3.41Å; A97-Y101 PolarHBondContact O-N 3.03Å; Y101-H103 VanDerWaalsContact C-N 3.28Å; Y101-H103 PolarHBondContact O-N 3.32Å; Y101-L104 PolarHBondContact O-N 3.21Å; Y101-K105 VanDerWaalsContact CE1-CE 3.42Å; Y101-K105 PolarHBondContact O-N 3.26Å
102	N	73.3	Confident	76.1	Confident	75 Å²	75	64.5 Å²	64.5	40%	0.401	34%	0.341	S	S	.	.	H	α-helix	trans	-65.2	-33.3	174.1	-77.5	-39.1	0	0	0	112.7	S98 S99 L100 K105	S98-N102 WeakPolarHBondContact O-CB 3.46Å; S98-N102 PolarHBondContact O-N 3.36Å; S98-N102 PolarHBondContact O-ND2 2.88Å; S98-N102 VanDerWaalsContact O-ND2 3.14Å; S99-N102 PolarHBondContact O-N 3.13Å; L100-N102 PolarHBondContact O-N 3.08Å; N102-K105 WeakPolarHBondContact O-CB 3Å
103	H	77.6	Confident	75.9	Confident	18 Å²	18	59 Å²	59	8%	0.083	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-43.2	174.4	166.7	77.8	0	0	0	111.9	C87 C90 F94 S99 L100 Y101 K105 I106 H107	C87-H103 WeakPolarHBondContact CB-NE2 3.36Å; C87-H103 VanDerWaalsContact SG-CD2 3.58Å; C87-H103 PolarHBondContact SG-NE2 3.31Å; C90-H103 VanDerWaalsContact SG-CE1 3.53Å; C90-H103 PolarHBondContact SG-NE2 3.37Å; F94-H103 HydrophobicContact CE1-CB 3.83Å; F94-H103 AromaticContact CE1-CG 3.98Å; F94-H103 HydrophobicContact CE2-CB 3.85Å; F94-H103 AromaticContact CE2-CD2 3.31Å; F94-H103 WeakPolarHBondContact CE2-CD2 3.31Å; F94-H103 AromaticContact CE2-CG 3.45Å; F94-H103 VanDerWaalsContact CE2-CG 3.45Å; F94-H103 AromaticContact CE2-ND1 3.99Å; F94-H103 AromaticContact CE2-NE2 3.76Å; F94-H103 HydrophobicContact CZ-CB 3.46Å; F94-H103 VanDerWaalsContact CZ-CB 3.46Å; F94-H103 AromaticContact CZ-CD2 3.5Å; F94-H103 AromaticContact CZ-CE1 3.78Å; F94-H103 AromaticContact CZ-CG 3.12Å; F94-H103 AromaticContact CZ-ND1 3.34Å; F94-H103 VanDerWaalsContact CZ-ND1 3.34Å; F94-H103 WeakPolarHBondContact CZ-ND1 3.33Å; F94-H103 AromaticContact CZ-NE2 3.87Å; S99-H103 WeakPolarHBondContact O-CB 3.46Å; S99-H103 PolarHBondContact O-N 2.95Å; L100-H103 CarbonylContact O-C 3.56Å; L100-H103 WeakPolarHBondContact O-CA 3.24Å; L100-H103 WeakPolarHBondContact O-CB 2.92Å; L100-H103 PolarHBondContact O-N 3.16Å; Y101-H103 VanDerWaalsContact C-N 3.28Å; Y101-H103 PolarHBondContact O-N 3.32Å; H103-K105 PolarHBondContact O-N 3.04Å; H103-I106 VanDerWaalsContact CE1-CD1 3.4Å; H103-I106 WeakPolarHBondContact CE1-CD1 3.43Å; H103-I106 VanDerWaalsContact ND1-CD1 3.29Å; H103-I106 WeakPolarHBondContact ND1-CD1 3.45Å; H103-I106 WeakPolarHBondContact O-CB 3.18Å; H103-I106 WeakPolarHBondContact O-CG1 3.29Å; H103-I106 WeakPolarHBondContact O-CG2 3.2Å; H103-I106 PolarHBondContact O-N 3.14Å; H103-H107 AromaticContact CE1-NE2 3.73Å; H103-H107 AromaticContact NE2-CD2 3.82Å; H103-H107 AromaticContact NE2-NE2 3.32Å; H103-H107 PolarHBondContact NE2-NE2 3.07Å
104	L	74.3	Confident	75.5	Confident	53 Å²	53	57.2 Å²	57.2	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-56.9	-28.7	178.4	-69.4	172.9	0	0	0	112.5	L100 Y101 I106 H107 S108	L100-L104 HydrophobicContact CD1-CD2 4.35Å; L100-L104 HydrophobicContact CD1-CG 4.16Å; L100-L104 HydrophobicContact CG-CD1 4.26Å; L100-L104 HydrophobicContact CG-CG 4.34Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.27Å; Y101-L104 PolarHBondContact O-N 3.21Å; L104-I106 PolarHBondContact O-N 2.84Å; L104-I106 VanDerWaalsContact O-N 3.14Å; L104-H107 WeakPolarHBondContact O-CB 3.43Å; L104-H107 PolarHBondContact O-N 3.03Å; L104-S108 PolarHBondContact O-N 3.5Å
105	K	73.5	Confident	75.2	Confident	47 Å²	47	55.4 Å²	55.4	20%	0.204	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-19.9	172.7	-61.6	-178.2	179	-172.7	0	114	Y101 N102 H103 R123	Y101-K105 VanDerWaalsContact CE1-CE 3.42Å; Y101-K105 PolarHBondContact O-N 3.26Å; N102-K105 WeakPolarHBondContact O-CB 3Å; H103-K105 PolarHBondContact O-N 3.04Å; K105-R123 HydrophobicContact CB-CG 4.26Å; K105-R123 WeakPolarHBondContact O-CD 3.47Å; K105-R123 PolarHBondContact O-NE 3.12Å; K105-R123 VanDerWaalsContact O-NE 3.14Å
106	I	71.9	Confident	74.6	Confident	72 Å²	72	57.7 Å²	57.7	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-78.5	-28.2	175.5	84.9	-173.4	0	0	0	112.2	H103 L104 S108 W124	H103-I106 VanDerWaalsContact CE1-CD1 3.4Å; H103-I106 WeakPolarHBondContact CE1-CD1 3.43Å; H103-I106 VanDerWaalsContact ND1-CD1 3.29Å; H103-I106 WeakPolarHBondContact ND1-CD1 3.45Å; H103-I106 WeakPolarHBondContact O-CB 3.18Å; H103-I106 WeakPolarHBondContact O-CG1 3.29Å; H103-I106 WeakPolarHBondContact O-CG2 3.2Å; H103-I106 PolarHBondContact O-N 3.14Å; L104-I106 PolarHBondContact O-N 2.84Å; L104-I106 VanDerWaalsContact O-N 3.14Å; I106-S108 VanDerWaalsContact C-N 3.3Å; I106-W124 HydrophobicContact CG2-CZ2 3.99Å
107	H	72.6	Confident	73.9	Confident	70 Å²	70	55.7 Å²	55.7	32%	0.324	30%	0.295	S	S	.	.	H	α-helix	trans	-73.9	-28.4	172.3	-69	-64.1	0	0	0	111	C87 V89 C90 H103 L104	C87-H107 PolarHBondContact SG-NE2 2.92Å; C87-H107 VanDerWaalsContact SG-NE2 3.37Å; V89-H107 HydrophobicContact CG1-CB 4.43Å; V89-H107 VanDerWaalsContact CG1-CE1 3.47Å; V89-H107 WeakPolarHBondContact CG1-CE1 3.34Å; V89-H107 VanDerWaalsContact CG1-ND1 3.27Å; V89-H107 WeakPolarHBondContact CG1-ND1 3.18Å; V89-H107 HydrophobicContact CG2-CB 4.41Å; C90-H107 PolarHBondContact SG-NE2 3.43Å; H103-H107 AromaticContact CE1-NE2 3.73Å; H103-H107 AromaticContact NE2-CD2 3.82Å; H103-H107 AromaticContact NE2-NE2 3.32Å; H103-H107 PolarHBondContact NE2-NE2 3.07Å; L104-H107 WeakPolarHBondContact O-CB 3.43Å; L104-H107 PolarHBondContact O-N 3.03Å
108	S	69.1	Low	73.3	Confident	52 Å²	52	54 Å²	54	36%	0.364	28%	0.28	S	S	.	.	S	Bend	trans	-76.6	125.2	168.7	-167.5	0	0	0	0	111	L104 I106 D110 R123	L104-S108 PolarHBondContact O-N 3.5Å; I106-S108 VanDerWaalsContact C-N 3.3Å; S108-D110 PolarHBondContact O-N 3.36Å; S108-D110 WeakPolarHBondContact OG-CB 3.21Å; S108-D110 PolarHBondContact OG-N 2.81Å; S108-R123 PolarHBondContact O-NE 3.36Å; S108-R123 PolarHBondContact O-NH2 3.34Å
109	P	62.8	Low	72.8	Confident	112 Å²	112	52 Å²	52	73%	0.727	27%	0.271	S	S	*	.			trans	-68.5	-13.6	169.4	29.1	-33.2	0	0	0	112.1	R111	P109-R111 PolarHBondContact O-N 3.45Å
110	D	71.5	Confident	72.5	Confident	69 Å²	69	50.8 Å²	50.8	37%	0.369	26%	0.262	S	S	.	.			trans	-58.8	129.8	-175.7	-162.6	64.2	0	0	0	112	S108 P112	S108-D110 PolarHBondContact O-N 3.36Å; S108-D110 WeakPolarHBondContact OG-CB 3.21Å; S108-D110 PolarHBondContact OG-N 2.81Å; D110-P112 VanDerWaalsContact O-CD 3.29Å; D110-P112 WeakPolarHBondContact O-CD 3.31Å; D110-P112 VanDerWaalsContact OD2-CB 3.31Å; D110-P112 WeakPolarHBondContact OD2-CB 3.44Å; D110-P112 WeakPolarHBondContact OD2-CD 3.48Å; D110-P112 WeakPolarHBondContact OD2-CG 3.36Å
111	R	72.3	Confident	72.3	Confident	115 Å²	115	51.8 Å²	51.8	43%	0.434	27%	0.27	S	S	.	.			trans	-116.4	66.3	176	-66.5	-175.2	178.3	-158.6	3.3	109.2	P109 F113 F122	P109-R111 PolarHBondContact O-N 3.45Å; R111-F113 PolarHBondContact O-N 3.14Å; R111-F113 VanDerWaalsContact O-N 3.11Å; R111-F122 CarbonylContact C-O 3.25Å; R111-F122 VanDerWaalsContact C-O 3.25Å
112	P	72.5	Confident	72.1	Confident	18 Å²	18	45 Å²	45	12%	0.117	24%	0.243	C	C	.	.			trans	-67.1	-25.3	-165.4	25	-30.4	0	0	0	111.7	D110 I114 S148 D149 E150	D110-P112 VanDerWaalsContact O-CD 3.29Å; D110-P112 WeakPolarHBondContact O-CD 3.31Å; D110-P112 VanDerWaalsContact OD2-CB 3.31Å; D110-P112 WeakPolarHBondContact OD2-CB 3.44Å; D110-P112 WeakPolarHBondContact OD2-CD 3.48Å; D110-P112 WeakPolarHBondContact OD2-CG 3.36Å; P112-I114 PolarHBondContact O-N 3Å; P112-I114 VanDerWaalsContact O-N 3.15Å; P112-S148 VanDerWaalsContact O-O 3.06Å; P112-D149 HydrophobicContact CB-CB 4.5Å; P112-D149 CarbonylContact O-C 3.45Å; P112-D149 WeakPolarHBondContact O-CA 3.49Å; P112-E150 HydrophobicContact CB-CB 4.33Å; P112-E150 PolarHBondContact O-N 3Å
113	F	77.3	Confident	72.1	Confident	14 Å²	14	45.1 Å²	45.1	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	103.5	-171.4	-59.2	-80.2	0	0	0	111.9	R111 T121 F122 R123 W124 K125 A128 V147 S148 D149	R111-F113 PolarHBondContact O-N 3.14Å; R111-F113 VanDerWaalsContact O-N 3.11Å; F113-T121 CarbonylContact O-C 3.51Å; F113-F122 HydrophobicContact CB-CB 4.1Å; F113-F122 WeakPolarHBondContact CB-O 3.38Å; F113-F122 WeakPolarHBondContact CD2-O 3.34Å; F113-F122 PolarHBondContact N-O 3.01Å; F113-F122 WeakPolarHBondContact O-CB 3.16Å; F113-F122 WeakPolarHBondContact O-CD2 3.31Å; F113-F122 PolarHBondContact O-N 3.32Å; F113-R123 WeakPolarHBondContact CD2-O 3.32Å; F113-R123 WeakPolarHBondContact CE2-O 3.41Å; F113-W124 VanDerWaalsContact CD2-C 3.42Å; F113-K125 HydrophobicContact CD1-CB 3.64Å; F113-K125 HydrophobicContact CD1-CD 4.48Å; F113-K125 HydrophobicContact CD1-CG 4.01Å; F113-K125 HydrophobicContact CE1-CB 3.48Å; F113-K125 VanDerWaalsContact CE1-CB 3.48Å; F113-K125 HydrophobicContact CE1-CD 4.11Å; F113-K125 HydrophobicContact CE1-CG 4.02Å; F113-K125 HydrophobicContact CE2-CB 4.42Å; F113-K125 HydrophobicContact CG-CB 4.15Å; F113-K125 HydrophobicContact CZ-CB 3.92Å; F113-A128 HydrophobicContact CB-CB 4.45Å; F113-V147 HydrophobicContact CB-CG1 3.82Å; F113-V147 HydrophobicContact CD1-CG1 3.86Å; F113-V147 HydrophobicContact CG-CG1 4.29Å; F113-S148 CarbonylContact C-O 3.53Å; F113-S148 VanDerWaalsContact CA-O 3.24Å; F113-S148 WeakPolarHBondContact CA-O 3.47Å; F113-D149 WeakPolarHBondContact CD1-OD1 3.5Å; F113-D149 VanDerWaalsContact CE1-CG 3.47Å; F113-D149 WeakPolarHBondContact CE1-OD1 3.02Å; F113-D149 WeakPolarHBondContact CZ-OD1 3.09Å
114	I	73.7	Confident	72.2	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.128	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.2	174.2	-59.9	177.1	0	0	0	110.3	P112 K116 S120 T121 V147 S148 E150	P112-I114 PolarHBondContact O-N 3Å; P112-I114 VanDerWaalsContact O-N 3.15Å; I114-K116 PolarHBondContact O-N 2.73Å; I114-S120 WeakPolarHBondContact CA-O 3.29Å; I114-T121 HydrophobicContact CD1-CG2 4.32Å; I114-T121 HydrophobicContact CG1-CG2 3.8Å; I114-V147 WeakPolarHBondContact O-CA 2.74Å; I114-S148 PolarHBondContact N-O 3.1Å; I114-S148 PolarHBondContact O-N 2.84Å; I114-S148 VanDerWaalsContact O-N 3.12Å; I114-E150 HydrophobicContact CD1-CG 3.62Å; I114-E150 HydrophobicContact CG1-CG 3.92Å
115	C	73.4	Confident	72.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	118.2	165.4	175.3	0	0	0	0	110.3	L117 C118 G119 S120 F122 L131 L132	C115-L117 PolarHBondContact O-N 2.89Å; C115-C118 WeakPolarHBondContact CB-SG 3.47Å; C115-C118 PolarHBondContact O-N 3.36Å; C115-C118 PolarHBondContact SG-SG 2.81Å; C115-G119 WeakPolarHBondContact O-CA 3.21Å; C115-G119 PolarHBondContact O-N 3.4Å; C115-S120 PolarHBondContact N-O 2.81Å; C115-F122 HydrophobicContact CB-CE2 3.91Å; C115-L131 HydrophobicContact CB-CD2 4.16Å; C115-L132 WeakPolarHBondContact SG-CD2 3.37Å
116	K	68.6	Low	72.7	Confident	80 Å²	80	53 Å²	53	35%	0.348	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.9	179.4	-66.2	-179.6	-175.9	166.7	0	113.7	R24 Y28 I114 F145 Y146 S148	R24-K116 PolarHBondContact NE-O 3.17Å; R24-K116 PolarHBondContact NH2-O 3.3Å; R24-K116 VanDerWaalsContact NH2-O 3.07Å; Y28-K116 HydrophobicContact CE2-CB 4.26Å; I114-K116 PolarHBondContact O-N 2.73Å; K116-F145 PolarHBondContact NZ-O 3.34Å; K116-Y146 PolarHBondContact N-O 3.44Å; K116-S148 WeakPolarHBondContact CE-OG 3.31Å; K116-S148 PolarHBondContact NZ-OG 2.99Å
117	L	67.1	Low	73.1	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.052	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-38.2	-179.7	-64.3	-173	0	0	0	113.9	R24 Y28 C115 L132 F136 Y146	R24-L117 WeakPolarHBondContact CD-O 3.4Å; R24-L117 WeakPolarHBondContact CG-O 3.21Å; R24-L117 PolarHBondContact NE-O 2.7Å; R24-L117 VanDerWaalsContact NE-O 3.09Å; Y28-L117 HydrophobicContact CD1-CD2 4.2Å; Y28-L117 HydrophobicContact CD2-CD2 3.5Å; Y28-L117 VanDerWaalsContact CD2-CD2 3.5Å; Y28-L117 HydrophobicContact CE2-CD2 4.23Å; Y28-L117 HydrophobicContact CG-CD2 3.44Å; Y28-L117 VanDerWaalsContact CG-CD2 3.44Å; C115-L117 PolarHBondContact O-N 2.89Å; L117-L132 HydrophobicContact CB-CD2 4.19Å; L117-L132 HydrophobicContact CD1-CD2 3.43Å; L117-L132 VanDerWaalsContact CD1-CD2 3.43Å; L117-L132 HydrophobicContact CG-CD2 3.74Å; L117-F136 HydrophobicContact CD1-CE2 3.56Å; L117-F136 HydrophobicContact CD1-CZ 3.73Å; L117-Y146 HydrophobicContact CD1-CD1 4.16Å; L117-Y146 HydrophobicContact CD1-CE1 4.38Å; L117-Y146 HydrophobicContact CD2-CD1 3.88Å; L117-Y146 HydrophobicContact CD2-CE1 4.04Å; L117-Y146 HydrophobicContact CG-CD1 3.84Å; L117-Y146 HydrophobicContact CG-CE1 4.35Å
118	C	69.1	Low	73.5	Confident	14 Å²	14	48.5 Å²	48.5	10%	0.095	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-18.3	-179.6	64.3	0	0	0	0	113.6	I16 C115 S120 L131 F135	I16-C118 HydrophobicContact CD1-CB 3.79Å; I16-C118 WeakPolarHBondContact CD1-O 3.45Å; C115-C118 WeakPolarHBondContact CB-SG 3.47Å; C115-C118 PolarHBondContact O-N 3.36Å; C115-C118 PolarHBondContact SG-SG 2.81Å; C118-S120 VanDerWaalsContact C-N 3.27Å; C118-S120 WeakPolarHBondContact SG-CB 3.4Å; C118-S120 PolarHBondContact SG-N 2.73Å; C118-S120 PolarHBondContact SG-OG 3.05Å; C118-L131 WeakPolarHBondContact SG-CD2 3.27Å; C118-F135 HydrophobicContact CB-CE2 4.5Å
119	G	69.5	Low	74	Confident	32 Å²	32	48 Å²	48	33%	0.33	24%	0.242	S	C	.	.			trans	77.2	7.1	-172.1	0	0	0	0	0	114.1	C115	C115-G119 WeakPolarHBondContact O-CA 3.21Å; C115-G119 PolarHBondContact O-N 3.4Å
120	S	71.7	Confident	74.8	Confident	14 Å²	14	48 Å²	48	10%	0.098	23%	0.231	C	C	.	.			trans	-71.2	134.3	178.4	-55.3	0	0	0	0	111	I114 C115 C118 F122	I114-S120 WeakPolarHBondContact CA-O 3.29Å; C115-S120 PolarHBondContact N-O 2.81Å; C118-S120 VanDerWaalsContact C-N 3.27Å; C118-S120 WeakPolarHBondContact SG-CB 3.4Å; C118-S120 PolarHBondContact SG-N 2.73Å; C118-S120 PolarHBondContact SG-OG 3.05Å; S120-F122 VanDerWaalsContact O-CD2 3.28Å; S120-F122 WeakPolarHBondContact O-CD2 3.46Å; S120-F122 VanDerWaalsContact O-CE2 3.29Å; S120-F122 WeakPolarHBondContact O-CE2 3.33Å
121	T	76.9	Confident	75	Confident	48 Å²	48	45.5 Å²	45.5	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.2	176.2	56.5	0	0	0	0	110.4	F113 I114	F113-T121 CarbonylContact O-C 3.51Å; I114-T121 HydrophobicContact CD1-CG2 4.32Å; I114-T121 HydrophobicContact CG1-CG2 3.8Å
122	F	74.9	Confident	75	Confident	8 Å²	8	40 Å²	40	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.1	-177.5	-62.5	-84.5	0	0	0	109.7	R111 F113 C115 S120 W124 L127 A128 L131	R111-F122 CarbonylContact C-O 3.25Å; R111-F122 VanDerWaalsContact C-O 3.25Å; F113-F122 HydrophobicContact CB-CB 4.1Å; F113-F122 WeakPolarHBondContact CB-O 3.38Å; F113-F122 WeakPolarHBondContact CD2-O 3.34Å; F113-F122 PolarHBondContact N-O 3.01Å; F113-F122 WeakPolarHBondContact O-CB 3.16Å; F113-F122 WeakPolarHBondContact O-CD2 3.31Å; F113-F122 PolarHBondContact O-N 3.32Å; C115-F122 HydrophobicContact CB-CE2 3.91Å; S120-F122 VanDerWaalsContact O-CD2 3.28Å; S120-F122 WeakPolarHBondContact O-CD2 3.46Å; S120-F122 VanDerWaalsContact O-CE2 3.29Å; S120-F122 WeakPolarHBondContact O-CE2 3.33Å; F122-W124 VanDerWaalsContact C-N 3.26Å; F122-W124 PolarHBondContact O-N 3.48Å; F122-L127 HydrophobicContact CB-CB 4.44Å; F122-L127 HydrophobicContact CD1-CB 3.92Å; F122-L127 HydrophobicContact CD1-CD2 3.75Å; F122-L127 HydrophobicContact CD1-CG 3.63Å; F122-L127 HydrophobicContact CE1-CD2 4.4Å; F122-L127 HydrophobicContact CE1-CG 4.07Å; F122-L127 HydrophobicContact CG-CB 4.43Å; F122-A128 HydrophobicContact CB-CB 4.26Å; F122-A128 HydrophobicContact CD2-CB 3.47Å; F122-A128 VanDerWaalsContact CD2-CB 3.47Å; F122-A128 HydrophobicContact CE2-CB 4.03Å; F122-A128 HydrophobicContact CG-CB 3.96Å; F122-L131 HydrophobicContact CE2-CD2 3.93Å; F122-L131 HydrophobicContact CZ-CB 4.12Å; F122-L131 HydrophobicContact CZ-CD1 4.33Å; F122-L131 HydrophobicContact CZ-CD2 3.64Å; F122-L131 HydrophobicContact CZ-CG 4.24Å
123	R	74.5	Confident	75	Confident	76 Å²	76	45.1 Å²	45.1	29%	0.287	21%	0.213	S	C	.	.	S	Bend	trans	-68.9	-25.6	172.3	-178.2	173.8	-79.5	163.2	-8.5	113	K105 S108 F113	K105-R123 HydrophobicContact CB-CG 4.26Å; K105-R123 WeakPolarHBondContact O-CD 3.47Å; K105-R123 PolarHBondContact O-NE 3.12Å; K105-R123 VanDerWaalsContact O-NE 3.14Å; S108-R123 PolarHBondContact O-NE 3.36Å; S108-R123 PolarHBondContact O-NH2 3.34Å; F113-R123 WeakPolarHBondContact CD2-O 3.32Å; F113-R123 WeakPolarHBondContact CE2-O 3.41Å
124	W	78.7	Confident	74.7	Confident	74 Å²	74	48 Å²	48	28%	0.28	23%	0.228	S	C	.	.	S	Bend	trans	-132.2	136.6	-177.8	-58.4	-51.8	0	0	0	112.6	I106 F113 F122 F126 L127 A128	I106-W124 HydrophobicContact CG2-CZ2 3.99Å; F113-W124 VanDerWaalsContact CD2-C 3.42Å; F122-W124 VanDerWaalsContact C-N 3.26Å; F122-W124 PolarHBondContact O-N 3.48Å; W124-F126 VanDerWaalsContact C-N 3.31Å; W124-F126 HydrophobicContact CB-CD1 3.56Å; W124-F126 HydrophobicContact CB-CE1 3.39Å; W124-F126 HydrophobicContact CB-CZ 4.31Å; W124-F126 AromaticContact CD2-CE1 3.7Å; W124-F126 HydrophobicContact CD2-CE1 3.7Å; W124-F126 HydrophobicContact CD2-CZ 4.19Å; W124-F126 AromaticContact CE3-CE1 3.59Å; W124-F126 HydrophobicContact CE3-CE1 3.59Å; W124-F126 AromaticContact CE3-CZ 3.58Å; W124-F126 HydrophobicContact CE3-CZ 3.58Å; W124-F126 HydrophobicContact CG-CD1 4.25Å; W124-F126 AromaticContact CG-CE1 3.66Å; W124-F126 HydrophobicContact CG-CE1 3.66Å; W124-F126 HydrophobicContact CZ3-CZ 4.25Å; W124-F126 PolarHBondContact O-N 3.19Å; W124-L127 WeakPolarHBondContact O-CB 3.45Å; W124-L127 PolarHBondContact O-N 3.21Å; W124-A128 PolarHBondContact O-N 3.2Å
125	K	77.5	Confident	74.4	Confident	87 Å²	87	49.1 Å²	49.1	38%	0.378	23%	0.232	S	C	.	.	H	α-helix	trans	-50.7	-46.9	177	-167.7	166	-174.8	151.3	0	113.5	F113 L127 A128 T129 V147	F113-K125 HydrophobicContact CD1-CB 3.64Å; F113-K125 HydrophobicContact CD1-CD 4.48Å; F113-K125 HydrophobicContact CD1-CG 4.01Å; F113-K125 HydrophobicContact CE1-CB 3.48Å; F113-K125 VanDerWaalsContact CE1-CB 3.48Å; F113-K125 HydrophobicContact CE1-CD 4.11Å; F113-K125 HydrophobicContact CE1-CG 4.02Å; F113-K125 HydrophobicContact CE2-CB 4.42Å; F113-K125 HydrophobicContact CG-CB 4.15Å; F113-K125 HydrophobicContact CZ-CB 3.92Å; K125-L127 PolarHBondContact O-N 3.26Å; K125-L127 VanDerWaalsContact O-N 3.17Å; K125-A128 WeakPolarHBondContact O-CB 3.45Å; K125-A128 PolarHBondContact O-N 2.98Å; K125-A128 VanDerWaalsContact O-N 3.13Å; K125-T129 PolarHBondContact O-N 3.45Å; K125-T129 PolarHBondContact O-OG1 2.96Å; K125-T129 VanDerWaalsContact O-OG1 3.13Å; K125-V147 HydrophobicContact CG-CB 4.48Å; K125-V147 HydrophobicContact CG-CG1 4.02Å
126	F	80.7	Confident	74.2	Confident	122 Å²	122	50.5 Å²	50.5	54%	0.535	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-26.8	-176.7	79.6	-93.8	0	0	0	112.3	W124 T129 K130	W124-F126 VanDerWaalsContact C-N 3.31Å; W124-F126 HydrophobicContact CB-CD1 3.56Å; W124-F126 HydrophobicContact CB-CE1 3.39Å; W124-F126 HydrophobicContact CB-CZ 4.31Å; W124-F126 AromaticContact CD2-CE1 3.7Å; W124-F126 HydrophobicContact CD2-CE1 3.7Å; W124-F126 HydrophobicContact CD2-CZ 4.19Å; W124-F126 AromaticContact CE3-CE1 3.59Å; W124-F126 HydrophobicContact CE3-CE1 3.59Å; W124-F126 AromaticContact CE3-CZ 3.58Å; W124-F126 HydrophobicContact CE3-CZ 3.58Å; W124-F126 HydrophobicContact CG-CD1 4.25Å; W124-F126 AromaticContact CG-CE1 3.66Å; W124-F126 HydrophobicContact CG-CE1 3.66Å; W124-F126 HydrophobicContact CZ3-CZ 4.25Å; W124-F126 PolarHBondContact O-N 3.19Å; F126-T129 PolarHBondContact O-N 2.87Å; F126-K130 WeakPolarHBondContact O-CB 3.35Å; F126-K130 PolarHBondContact O-N 2.94Å
127	L	81.9	Confident	74.2	Confident	48 Å²	48	53.1 Å²	53.1	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-74.2	-39.7	179	-162.1	61.1	0	0	0	110.4	F122 W124 K125 K130 L131	F122-L127 HydrophobicContact CB-CB 4.44Å; F122-L127 HydrophobicContact CD1-CB 3.92Å; F122-L127 HydrophobicContact CD1-CD2 3.75Å; F122-L127 HydrophobicContact CD1-CG 3.63Å; F122-L127 HydrophobicContact CE1-CD2 4.4Å; F122-L127 HydrophobicContact CE1-CG 4.07Å; F122-L127 HydrophobicContact CG-CB 4.43Å; W124-L127 WeakPolarHBondContact O-CB 3.45Å; W124-L127 PolarHBondContact O-N 3.21Å; K125-L127 PolarHBondContact O-N 3.26Å; K125-L127 VanDerWaalsContact O-N 3.17Å; L127-K130 PolarHBondContact O-N 3.29Å; L127-L131 PolarHBondContact O-N 3.34Å
128	A	80.5	Confident	73.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-44.3	169.3	0	0	0	0	0	111.6	F113 F122 W124 K125 K130 L131 L132 V147	F113-A128 HydrophobicContact CB-CB 4.45Å; F122-A128 HydrophobicContact CB-CB 4.26Å; F122-A128 HydrophobicContact CD2-CB 3.47Å; F122-A128 VanDerWaalsContact CD2-CB 3.47Å; F122-A128 HydrophobicContact CE2-CB 4.03Å; F122-A128 HydrophobicContact CG-CB 3.96Å; W124-A128 PolarHBondContact O-N 3.2Å; K125-A128 WeakPolarHBondContact O-CB 3.45Å; K125-A128 PolarHBondContact O-N 2.98Å; K125-A128 VanDerWaalsContact O-N 3.13Å; A128-K130 VanDerWaalsContact C-N 3.34Å; A128-K130 PolarHBondContact O-N 3.17Å; A128-L131 WeakPolarHBondContact O-CB 3.4Å; A128-L131 PolarHBondContact O-N 3.39Å; A128-L132 VanDerWaalsContact O-CG 3.3Å; A128-L132 WeakPolarHBondContact O-CG 3.06Å; A128-L132 PolarHBondContact O-N 3.27Å; A128-V147 HydrophobicContact CB-CB 4.21Å; A128-V147 HydrophobicContact CB-CG1 3.55Å; A128-V147 HydrophobicContact CB-CG2 3.56Å
129	T	79.3	Confident	73.4	Confident	41 Å²	41	59.7 Å²	59.7	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-39.3	175.4	-52.4	0	0	0	0	112.2	K125 F126 L132 R133 L143	K125-T129 PolarHBondContact O-N 3.45Å; K125-T129 PolarHBondContact O-OG1 2.96Å; K125-T129 VanDerWaalsContact O-OG1 3.13Å; F126-T129 PolarHBondContact O-N 2.87Å; T129-L132 PolarHBondContact O-N 3.24Å; T129-R133 WeakPolarHBondContact O-CB 3.25Å; T129-R133 PolarHBondContact O-N 3.08Å; T129-L143 HydrophobicContact CG2-CB 3.89Å; T129-L143 HydrophobicContact CG2-CD1 4.1Å
130	K	78.5	Confident	72.8	Confident	114 Å²	114	63.8 Å²	63.8	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-43.4	175.6	-177.2	178.5	179.7	179.4	0	111	F126 L127 A128 L132 R133 M134	F126-K130 WeakPolarHBondContact O-CB 3.35Å; F126-K130 PolarHBondContact O-N 2.94Å; L127-K130 PolarHBondContact O-N 3.29Å; A128-K130 VanDerWaalsContact C-N 3.34Å; A128-K130 PolarHBondContact O-N 3.17Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-R133 WeakPolarHBondContact O-CB 3.44Å; K130-R133 PolarHBondContact O-N 3.17Å; K130-M134 WeakPolarHBondContact O-CG 3.31Å; K130-M134 PolarHBondContact O-N 2.91Å; K130-M134 VanDerWaalsContact O-N 3.11Å
131	L	75.8	Confident	72.3	Confident	16 Å²	16	65.4 Å²	65.4	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-59	-47	174.3	-172.1	87.3	0	0	0	111.2	C115 C118 F122 L127 A128 R133 M134 F135	C115-L131 HydrophobicContact CB-CD2 4.16Å; C118-L131 WeakPolarHBondContact SG-CD2 3.27Å; F122-L131 HydrophobicContact CE2-CD2 3.93Å; F122-L131 HydrophobicContact CZ-CB 4.12Å; F122-L131 HydrophobicContact CZ-CD1 4.33Å; F122-L131 HydrophobicContact CZ-CD2 3.64Å; F122-L131 HydrophobicContact CZ-CG 4.24Å; L127-L131 PolarHBondContact O-N 3.34Å; A128-L131 WeakPolarHBondContact O-CB 3.4Å; A128-L131 PolarHBondContact O-N 3.39Å; L131-R133 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 3.49Å; L131-M134 WeakPolarHBondContact O-CB 3.44Å; L131-M134 PolarHBondContact O-N 3.07Å; L131-M134 VanDerWaalsContact O-N 3.1Å; L131-F135 HydrophobicContact CD1-CE2 4.28Å; L131-F135 HydrophobicContact CD2-CD2 4.35Å; L131-F135 HydrophobicContact CD2-CE2 3.61Å; L131-F135 HydrophobicContact CG-CD2 4.11Å; L131-F135 HydrophobicContact CG-CE2 3.6Å; L131-F135 HydrophobicContact CG-CZ 4.48Å; L131-F135 VanDerWaalsContact O-CD2 3.29Å; L131-F135 WeakPolarHBondContact O-CD2 3.41Å; L131-F135 PolarHBondContact O-N 3.15Å; L131-F135 VanDerWaalsContact O-N 3.12Å
132	L	72.6	Confident	71.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-42.3	177.1	-67.5	165.6	0	0	0	111.7	C115 L117 A128 T129 K130 M134 F135 F136 L143 Y146 V147	C115-L132 WeakPolarHBondContact SG-CD2 3.37Å; L117-L132 HydrophobicContact CB-CD2 4.19Å; L117-L132 HydrophobicContact CD1-CD2 3.43Å; L117-L132 VanDerWaalsContact CD1-CD2 3.43Å; L117-L132 HydrophobicContact CG-CD2 3.74Å; A128-L132 VanDerWaalsContact O-CG 3.3Å; A128-L132 WeakPolarHBondContact O-CG 3.06Å; A128-L132 PolarHBondContact O-N 3.27Å; T129-L132 PolarHBondContact O-N 3.24Å; K130-L132 VanDerWaalsContact C-N 3.34Å; L132-M134 PolarHBondContact O-N 3Å; L132-F135 WeakPolarHBondContact O-CA 3.09Å; L132-F135 WeakPolarHBondContact O-CB 3.07Å; L132-F135 PolarHBondContact O-N 3.35Å; L132-F136 HydrophobicContact CB-CD2 4.41Å; L132-F136 HydrophobicContact CD2-CE2 4.31Å; L132-F136 WeakPolarHBondContact O-CD2 3.45Å; L132-F136 PolarHBondContact O-N 2.99Å; L132-L143 HydrophobicContact CB-CB 4.31Å; L132-L143 HydrophobicContact CB-CD1 4.16Å; L132-L143 HydrophobicContact CB-CD2 4.15Å; L132-L143 HydrophobicContact CB-CG 4.45Å; L132-L143 HydrophobicContact CD1-CB 4.28Å; L132-L143 WeakPolarHBondContact CD1-O 3.42Å; L132-Y146 VanDerWaalsContact CD1-CB 3.49Å; L132-Y146 HydrophobicContact CD1-CG 4.42Å; L132-Y146 HydrophobicContact CD2-CD1 4.48Å; L132-Y146 HydrophobicContact CD2-CG 4.35Å; L132-V147 HydrophobicContact CD1-CG2 3.45Å; L132-V147 VanDerWaalsContact CD1-CG2 3.45Å
133	R	72.5	Confident	71.6	Confident	125 Å²	125	64.4 Å²	64.4	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-36.3	175.2	-173.7	177.4	178.7	-175.1	-3.1	112	T129 K130 L131 F136 N137 G138 N140 L143	T129-R133 WeakPolarHBondContact O-CB 3.25Å; T129-R133 PolarHBondContact O-N 3.08Å; K130-R133 WeakPolarHBondContact O-CB 3.44Å; K130-R133 PolarHBondContact O-N 3.17Å; L131-R133 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 3.49Å; R133-F136 CarbonylContact O-C 3.58Å; R133-F136 PolarHBondContact O-N 3.47Å; R133-N137 PolarHBondContact O-N 3.23Å; R133-G138 PolarHBondContact O-N 3.06Å; R133-N140 PolarHBondContact NE-OD1 3.36Å; R133-L143 HydrophobicContact CB-CD1 3.93Å
134	M	70.7	Confident	71.3	Confident	75 Å²	75	63.4 Å²	63.4	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-38	173.8	-64.4	173	66.9	0	0	112	W6 K130 L131 L132	W6-M134 HydrophobicContact CB-CE 3.77Å; K130-M134 WeakPolarHBondContact O-CG 3.31Å; K130-M134 PolarHBondContact O-N 2.91Å; K130-M134 VanDerWaalsContact O-N 3.11Å; L131-M134 WeakPolarHBondContact O-CB 3.44Å; L131-M134 PolarHBondContact O-N 3.07Å; L131-M134 VanDerWaalsContact O-N 3.1Å; L132-M134 PolarHBondContact O-N 3Å
135	F	67.4	Low	70.9	Confident	48 Å²	48	64.1 Å²	64.1	21%	0.211	33%	0.331	C	S	.	.	H	α-helix	trans	-68.2	-35.5	174.8	-72.5	-58.5	0	0	0	113.3	V21 C118 L131 L132	V21-F135 HydrophobicContact CB-CE1 4.28Å; V21-F135 HydrophobicContact CG1-CD1 3.67Å; V21-F135 HydrophobicContact CG1-CE1 3.19Å; V21-F135 HydrophobicContact CG1-CZ 3.94Å; V21-F135 HydrophobicContact CG2-CE1 4.11Å; V21-F135 HydrophobicContact CG2-CZ 4.3Å; C118-F135 HydrophobicContact CB-CE2 4.5Å; L131-F135 HydrophobicContact CD1-CE2 4.28Å; L131-F135 HydrophobicContact CD2-CD2 4.35Å; L131-F135 HydrophobicContact CD2-CE2 3.61Å; L131-F135 HydrophobicContact CG-CD2 4.11Å; L131-F135 HydrophobicContact CG-CE2 3.6Å; L131-F135 HydrophobicContact CG-CZ 4.48Å; L131-F135 VanDerWaalsContact O-CD2 3.29Å; L131-F135 WeakPolarHBondContact O-CD2 3.41Å; L131-F135 PolarHBondContact O-N 3.15Å; L131-F135 VanDerWaalsContact O-N 3.12Å; L132-F135 WeakPolarHBondContact O-CA 3.09Å; L132-F135 WeakPolarHBondContact O-CB 3.07Å; L132-F135 PolarHBondContact O-N 3.35Å
136	F	70.1	Confident	70.5	Confident	28 Å²	28	60.7 Å²	60.7	12%	0.123	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	22.1	-178.7	-65.5	-77	0	0	0	113.8	F25 L117 L132 R133 G138 Q139 L143 Y146	F25-F136 AromaticContact CE2-CD1 3.86Å; F25-F136 HydrophobicContact CE2-CD1 3.86Å; F25-F136 AromaticContact CE2-CE1 3.48Å; F25-F136 HydrophobicContact CE2-CE1 3.48Å; F25-F136 VanDerWaalsContact CE2-CE1 3.48Å; F25-F136 HydrophobicContact CE2-CZ 4.09Å; F25-F136 HydrophobicContact CZ-CD1 4.24Å; F25-F136 AromaticContact CZ-CE1 3.99Å; F25-F136 HydrophobicContact CZ-CE1 3.99Å; L117-F136 HydrophobicContact CD1-CE2 3.56Å; L117-F136 HydrophobicContact CD1-CZ 3.73Å; L132-F136 HydrophobicContact CB-CD2 4.41Å; L132-F136 HydrophobicContact CD2-CE2 4.31Å; L132-F136 WeakPolarHBondContact O-CD2 3.45Å; L132-F136 PolarHBondContact O-N 2.99Å; R133-F136 CarbonylContact O-C 3.58Å; R133-F136 PolarHBondContact O-N 3.47Å; F136-G138 PolarHBondContact O-N 3.24Å; F136-G138 VanDerWaalsContact O-N 3.08Å; F136-Q139 HydrophobicContact CB-CB 4.17Å; F136-Q139 WeakPolarHBondContact O-CG 3.41Å; F136-Q139 PolarHBondContact O-N 2.63Å; F136-Q139 VanDerWaalsContact O-N 3.1Å; F136-L143 HydrophobicContact CB-CD2 4.49Å; F136-L143 HydrophobicContact CD2-CD2 3.34Å; F136-L143 HydrophobicContact CE2-CD2 3.73Å; F136-L143 HydrophobicContact CG-CD2 4.12Å; F136-Y146 HydrophobicContact CE2-CD1 4.49Å; F136-Y146 HydrophobicContact CE2-CE1 4.11Å; F136-Y146 HydrophobicContact CZ-CD1 4.46Å; F136-Y146 AromaticContact CZ-CE1 3.69Å; F136-Y146 HydrophobicContact CZ-CE1 3.69Å; F136-Y146 AromaticContact CZ-CZ 3.84Å
137	N	68.3	Low	70.1	Confident	135 Å²	135	55.3 Å²	55.3	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	41.5	178	-73	-20.9	0	0	0	114.4	R133	R133-N137 PolarHBondContact O-N 3.23Å
138	G	60.7	Low	69.5	Low	26 Å²	26	54 Å²	54	27%	0.268	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-2.8	175.2	0	0	0	0	0	116.2	R133 F136 N140	R133-G138 PolarHBondContact O-N 3.06Å; F136-G138 PolarHBondContact O-N 3.24Å; F136-G138 VanDerWaalsContact O-N 3.08Å; G138-N140 PolarHBondContact O-N 2.77Å
139	Q	59.7	Low	69	Low	136 Å²	136	56.5 Å²	56.5	64%	0.636	30%	0.302	S	S	*	.			trans	-62.4	110.2	175.2	-67.3	-176.9	-4.3	0	0	110.3	F136 G141 L143	F136-Q139 HydrophobicContact CB-CB 4.17Å; F136-Q139 WeakPolarHBondContact O-CG 3.41Å; F136-Q139 PolarHBondContact O-N 2.63Å; F136-Q139 VanDerWaalsContact O-N 3.1Å; Q139-G141 PolarHBondContact O-N 3.49Å; Q139-L143 WeakPolarHBondContact O-CD1 3.42Å
140	N	56.6	Low	68.1	Low	119 Å²	119	57.7 Å²	57.7	64%	0.636	30%	0.304	S	S	*	.			trans	-83.9	26.9	-179.3	-67.7	-46.3	0	0	0	113	R133 G138	R133-N140 PolarHBondContact NE-OD1 3.36Å; G138-N140 PolarHBondContact O-N 2.77Å
141	G	61.3	Low	66.7	Low	47 Å²	47	55.6 Å²	55.6	49%	0.485	30%	0.301	S	S	.	.	S	Bend	trans	-61.4	-162.1	178	0	0	0	0	0	112.6	Q139 L143	Q139-G141 PolarHBondContact O-N 3.49Å; G141-L143 PolarHBondContact O-N 3.39Å
142	A	66.8	Low	65.4	Low	26 Å²	26	58.5 Å²	58.5	22%	0.215	32%	0.319	C	S	.	.	S	Bend	trans	-61.4	40	176.2	0	0	0	0	0	115	R38 S144 F145	R38-A142 VanDerWaalsContact NH2-CB 3.31Å; A142-S144 PolarHBondContact O-N 2.88Å; A142-F145 HydrophobicContact CB-CD2 3.38Å; A142-F145 HydrophobicContact CB-CE2 3.58Å; A142-F145 HydrophobicContact CB-CG 4.36Å; A142-F145 WeakPolarHBondContact O-CB 3.37Å; A142-F145 VanDerWaalsContact O-CD2 3.31Å; A142-F145 WeakPolarHBondContact O-CD2 3.41Å; A142-F145 PolarHBondContact O-N 3.34Å
143	L	70.5	Confident	63.8	Low	9 Å²	9	62.8 Å²	62.8	5%	0.047	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-52.7	-28.3	175.1	-61.9	-172.5	0	0	0	112.2	T129 L132 R133 F136 Q139 G141 F145 Y146	T129-L143 HydrophobicContact CG2-CB 3.89Å; T129-L143 HydrophobicContact CG2-CD1 4.1Å; L132-L143 HydrophobicContact CB-CB 4.31Å; L132-L143 HydrophobicContact CB-CD1 4.16Å; L132-L143 HydrophobicContact CB-CD2 4.15Å; L132-L143 HydrophobicContact CB-CG 4.45Å; L132-L143 HydrophobicContact CD1-CB 4.28Å; L132-L143 WeakPolarHBondContact CD1-O 3.42Å; R133-L143 HydrophobicContact CB-CD1 3.93Å; F136-L143 HydrophobicContact CB-CD2 4.49Å; F136-L143 HydrophobicContact CD2-CD2 3.34Å; F136-L143 HydrophobicContact CE2-CD2 3.73Å; F136-L143 HydrophobicContact CG-CD2 4.12Å; Q139-L143 WeakPolarHBondContact O-CD1 3.42Å; G141-L143 PolarHBondContact O-N 3.39Å; L143-F145 PolarHBondContact O-N 2.9Å; L143-Y146 WeakPolarHBondContact O-CB 3.06Å; L143-Y146 PolarHBondContact O-N 3.15Å
144	S	68.3	Low	62.1	Low	56 Å²	56	59.8 Å²	59.8	39%	0.392	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-57.4	-26.4	173.4	52	0	0	0	0	114	A142 Y146 V147	A142-S144 PolarHBondContact O-N 2.88Å; S144-Y146 PolarHBondContact O-N 3.11Å; S144-V147 PolarHBondContact O-N 3.33Å; S144-V147 VanDerWaalsContact O-O 3.07Å
145	F	69.8	Low	60.3	Low	89 Å²	89	62.9 Å²	62.9	39%	0.39	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-67.8	-25.2	176.7	-78.4	-106	0	0	0	113	K116 A142 L143 V147	K116-F145 PolarHBondContact NZ-O 3.34Å; A142-F145 HydrophobicContact CB-CD2 3.38Å; A142-F145 HydrophobicContact CB-CE2 3.58Å; A142-F145 HydrophobicContact CB-CG 4.36Å; A142-F145 WeakPolarHBondContact O-CB 3.37Å; A142-F145 VanDerWaalsContact O-CD2 3.31Å; A142-F145 WeakPolarHBondContact O-CD2 3.41Å; A142-F145 PolarHBondContact O-N 3.34Å; L143-F145 PolarHBondContact O-N 2.9Å; F145-V147 VanDerWaalsContact C-N 3.29Å
146	Y	67.7	Low	59	Low	14 Å²	14	64.6 Å²	64.6	6%	0.055	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-88.2	-0.9	179.5	-58.9	-109.1	0	0	0	112.2	Y28 L32 K116 L117 L132 F136 L143 S144	Y28-Y146 AromaticContact CD1-CD1 3.99Å; Y28-Y146 HydrophobicContact CD1-CD1 3.99Å; Y28-Y146 AromaticContact CD1-CE1 3.16Å; Y28-Y146 HydrophobicContact CD1-CE1 3.16Å; Y28-Y146 AromaticContact CD1-CZ 3.82Å; Y28-Y146 HydrophobicContact CD2-CD1 4.22Å; Y28-Y146 HydrophobicContact CD2-CE1 4.18Å; Y28-Y146 AromaticContact CE1-CD1 3.51Å; Y28-Y146 HydrophobicContact CE1-CD1 3.51Å; Y28-Y146 AromaticContact CE1-CE1 2.81Å; Y28-Y146 HydrophobicContact CE1-CE1 2.81Å; Y28-Y146 HydrophobicContact CE1-CE2 4.27Å; Y28-Y146 HydrophobicContact CE1-CG 4.48Å; Y28-Y146 AromaticContact CE1-CZ 3.23Å; Y28-Y146 VanDerWaalsContact CE1-OH 3.29Å; Y28-Y146 WeakPolarHBondContact CE1-OH 3.36Å; Y28-Y146 AromaticContact CE2-CD1 3.66Å; Y28-Y146 HydrophobicContact CE2-CD1 3.66Å; Y28-Y146 AromaticContact CE2-CE1 3.84Å; Y28-Y146 HydrophobicContact CE2-CE1 3.84Å; Y28-Y146 HydrophobicContact CG-CD1 4.34Å; Y28-Y146 AromaticContact CG-CE1 3.87Å; Y28-Y146 HydrophobicContact CG-CE1 3.87Å; Y28-Y146 AromaticContact CZ-CD1 3.24Å; Y28-Y146 AromaticContact CZ-CE1 3.14Å; Y28-Y146 AromaticContact CZ-CZ 3.77Å; Y28-Y146 WeakPolarHBondContact OH-CD1 3.06Å; L32-Y146 WeakPolarHBondContact CD2-OH 3.44Å; K116-Y146 PolarHBondContact N-O 3.44Å; L117-Y146 HydrophobicContact CD1-CD1 4.16Å; L117-Y146 HydrophobicContact CD1-CE1 4.38Å; L117-Y146 HydrophobicContact CD2-CD1 3.88Å; L117-Y146 HydrophobicContact CD2-CE1 4.04Å; L117-Y146 HydrophobicContact CG-CD1 3.84Å; L117-Y146 HydrophobicContact CG-CE1 4.35Å; L132-Y146 VanDerWaalsContact CD1-CB 3.49Å; L132-Y146 HydrophobicContact CD1-CG 4.42Å; L132-Y146 HydrophobicContact CD2-CD1 4.48Å; L132-Y146 HydrophobicContact CD2-CG 4.35Å; F136-Y146 HydrophobicContact CE2-CD1 4.49Å; F136-Y146 HydrophobicContact CE2-CE1 4.11Å; F136-Y146 HydrophobicContact CZ-CD1 4.46Å; F136-Y146 AromaticContact CZ-CE1 3.69Å; F136-Y146 HydrophobicContact CZ-CE1 3.69Å; F136-Y146 AromaticContact CZ-CZ 3.84Å; L143-Y146 WeakPolarHBondContact O-CB 3.06Å; L143-Y146 PolarHBondContact O-N 3.15Å; S144-Y146 PolarHBondContact O-N 3.11Å
147	V	73	Confident	57.5	Low	9 Å²	9	67.6 Å²	67.6	6%	0.055	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.8	175.7	-172.6	0	0	0	0	108.4	F113 I114 K125 A128 L132 S144 F145	F113-V147 HydrophobicContact CB-CG1 3.82Å; F113-V147 HydrophobicContact CD1-CG1 3.86Å; F113-V147 HydrophobicContact CG-CG1 4.29Å; I114-V147 WeakPolarHBondContact O-CA 2.74Å; K125-V147 HydrophobicContact CG-CB 4.48Å; K125-V147 HydrophobicContact CG-CG1 4.02Å; A128-V147 HydrophobicContact CB-CB 4.21Å; A128-V147 HydrophobicContact CB-CG1 3.55Å; A128-V147 HydrophobicContact CB-CG2 3.56Å; L132-V147 HydrophobicContact CD1-CG2 3.45Å; L132-V147 VanDerWaalsContact CD1-CG2 3.45Å; S144-V147 PolarHBondContact O-N 3.33Å; S144-V147 VanDerWaalsContact O-O 3.07Å; F145-V147 VanDerWaalsContact C-N 3.29Å
148	S	70.2	Confident	55.9	Low	20 Å²	20	64.2 Å²	64.2	14%	0.14	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.3	173.1	-79.4	0	0	0	0	110.3	P112 F113 I114 K116	P112-S148 VanDerWaalsContact O-O 3.06Å; F113-S148 CarbonylContact C-O 3.53Å; F113-S148 VanDerWaalsContact CA-O 3.24Å; F113-S148 WeakPolarHBondContact CA-O 3.47Å; I114-S148 PolarHBondContact N-O 3.1Å; I114-S148 PolarHBondContact O-N 2.84Å; I114-S148 VanDerWaalsContact O-N 3.12Å; K116-S148 WeakPolarHBondContact CE-OG 3.31Å; K116-S148 PolarHBondContact NZ-OG 2.99Å
149	D	70.1	Confident	54.4	Low	54 Å²	54	68.9 Å²	68.9	29%	0.289	40%	0.397	S	S	.	.			trans	-75.9	143.3	162.6	-73.2	-69.1	0	0	0	109.8	P112 F113 V151 V152 F153	P112-D149 HydrophobicContact CB-CB 4.5Å; P112-D149 CarbonylContact O-C 3.45Å; P112-D149 WeakPolarHBondContact O-CA 3.49Å; F113-D149 WeakPolarHBondContact CD1-OD1 3.5Å; F113-D149 VanDerWaalsContact CE1-CG 3.47Å; F113-D149 WeakPolarHBondContact CE1-OD1 3.02Å; F113-D149 WeakPolarHBondContact CZ-OD1 3.09Å; D149-V151 VanDerWaalsContact C-N 3.28Å; D149-V151 PolarHBondContact O-N 3.2Å; D149-V152 HydrophobicContact CB-CB 4.45Å; D149-V152 HydrophobicContact CB-CG2 4.08Å; D149-V152 PolarHBondContact O-N 3.49Å; D149-V152 VanDerWaalsContact O-N 3.08Å; D149-F153 PolarHBondContact O-N 3.18Å
150	E	59.1	Low	52.9	Low	65 Å²	65	68 Å²	68	30%	0.304	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-38.8	-175.6	-90.1	-150.9	126.7	0	0	110.9	P112 I114 V152 F153 L154	P112-E150 HydrophobicContact CB-CB 4.33Å; P112-E150 PolarHBondContact O-N 3Å; I114-E150 HydrophobicContact CD1-CG 3.62Å; I114-E150 HydrophobicContact CG1-CG 3.92Å; E150-V152 VanDerWaalsContact C-N 3.28Å; E150-V152 PolarHBondContact O-N 3.13Å; E150-F153 PolarHBondContact O-N 2.76Å; E150-F153 VanDerWaalsContact O-N 3.09Å; E150-L154 WeakPolarHBondContact O-CB 3.44Å; E150-L154 WeakPolarHBondContact O-CG 3.23Å; E150-L154 PolarHBondContact O-N 2.96Å
151	V	49.9	Very low	51.8	Low	70 Å²	70	68 Å²	68	42%	0.424	40%	0.404	S	S	.	.	H	α-helix	trans	-58	-43.2	175.7	-171.5	0	0	0	0	110.6	D149 E155 I161	D149-V151 VanDerWaalsContact C-N 3.28Å; D149-V151 PolarHBondContact O-N 3.2Å; V151-E155 WeakPolarHBondContact O-CB 3.38Å; V151-E155 WeakPolarHBondContact O-CG 3.5Å; V151-E155 PolarHBondContact O-N 3.04Å; V151-I161 HydrophobicContact CG1-CD1 4.35Å
152	V	47.6	Very low	50.2	Low	78 Å²	78	71.3 Å²	71.3	47%	0.473	42%	0.418	S	S	.	.	H	α-helix	trans	-73.9	-29.9	177.7	-175.9	0	0	0	0	111.7	D149 E150 A156	D149-V152 HydrophobicContact CB-CB 4.45Å; D149-V152 HydrophobicContact CB-CG2 4.08Å; D149-V152 PolarHBondContact O-N 3.49Å; D149-V152 VanDerWaalsContact O-N 3.08Å; E150-V152 VanDerWaalsContact C-N 3.28Å; E150-V152 PolarHBondContact O-N 3.13Å; V152-A156 WeakPolarHBondContact O-CB 3.44Å; V152-A156 PolarHBondContact O-N 3.28Å
153	F	39.5	Very low	48.8	Very low	89 Å²	89	79.5 Å²	79.5	39%	0.39	47%	0.473	S	S	.	.	H	α-helix	trans	-71.1	-40.5	175.4	-170.1	-99.2	0	0	0	111.7	D149 E150 A156 I157	D149-F153 PolarHBondContact O-N 3.18Å; E150-F153 PolarHBondContact O-N 2.76Å; E150-F153 VanDerWaalsContact O-N 3.09Å; F153-A156 PolarHBondContact O-N 3.12Å; F153-I157 HydrophobicContact CD1-CD1 4.34Å; F153-I157 HydrophobicContact CE1-CD1 4.14Å; F153-I157 WeakPolarHBondContact O-CG1 3.34Å; F153-I157 PolarHBondContact O-N 2.94Å; F153-I157 VanDerWaalsContact O-N 3.13Å
154	L	37.2	Very low	47.7	Very low	62 Å²	62	83.1 Å²	83.1	33%	0.325	50%	0.495	S	S	.	.	H	α-helix	trans	-68.7	-41	175.6	-71.6	171.6	0	0	0	112.2	E150 A156 I157 G158 M159	E150-L154 WeakPolarHBondContact O-CB 3.44Å; E150-L154 WeakPolarHBondContact O-CG 3.23Å; E150-L154 PolarHBondContact O-N 2.96Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 3.04Å; L154-I157 HydrophobicContact CD2-CD1 4.19Å; L154-I157 CarbonylContact O-C 3.18Å; L154-I157 PolarHBondContact O-N 2.82Å; L154-G158 PolarHBondContact O-N 2.82Å; L154-M159 HydrophobicContact CD2-CB 4.27Å; L154-M159 PolarHBondContact O-N 3.31Å
155	E	33	Very low	46.6	Very low	141 Å²	141	84.5 Å²	84.5	66%	0.659	50%	0.5	S	S	*	.	H	α-helix	trans	-61.9	-40	171.1	-75.4	-177.1	151.8	0	0	111.6	V151 I157 G158	V151-E155 WeakPolarHBondContact O-CB 3.38Å; V151-E155 WeakPolarHBondContact O-CG 3.5Å; V151-E155 PolarHBondContact O-N 3.04Å; E155-I157 VanDerWaalsContact C-N 3.27Å; E155-I157 PolarHBondContact O-N 3.01Å; E155-G158 PolarHBondContact O-N 3.17Å
156	A	40.8	Very low	45.3	Very low	83 Å²	83	84.2 Å²	84.2	69%	0.686	51%	0.506	S	S	*	.	H	α-helix	trans	-69.6	-20	177.4	0	0	0	0	0	114.1	V152 F153 L154	V152-A156 WeakPolarHBondContact O-CB 3.44Å; V152-A156 PolarHBondContact O-N 3.28Å; F153-A156 PolarHBondContact O-N 3.12Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 3.04Å
157	I	38.8	Very low	44	Very low	92 Å²	92	88.4 Å²	88.4	47%	0.472	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	7.7	172.7	68.2	177.5	0	0	0	113.3	F153 L154 E155 M159	F153-I157 HydrophobicContact CD1-CD1 4.34Å; F153-I157 HydrophobicContact CE1-CD1 4.14Å; F153-I157 WeakPolarHBondContact O-CG1 3.34Å; F153-I157 PolarHBondContact O-N 2.94Å; F153-I157 VanDerWaalsContact O-N 3.13Å; L154-I157 HydrophobicContact CD2-CD1 4.19Å; L154-I157 CarbonylContact O-C 3.18Å; L154-I157 PolarHBondContact O-N 2.82Å; E155-I157 VanDerWaalsContact C-N 3.27Å; E155-I157 PolarHBondContact O-N 3.01Å; I157-M159 HydrophobicContact CD1-SD 4.32Å; I157-M159 HydrophobicContact CG1-CG 4.28Å
158	G	33.6	Very low	42.2	Very low	63 Å²	63	93.3 Å²	93.3	65%	0.649	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.8	30.1	171.7	0	0	0	0	0	115.7	L154 E155	L154-G158 PolarHBondContact O-N 2.82Å; E155-G158 PolarHBondContact O-N 3.17Å
159	M	28.3	Very low	40.3	Very low	124 Å²	124	98.2 Å²	98.2	61%	0.611	59%	0.591	S	S	*	*			trans	-101.3	109	174.7	-63.4	-168.7	85.7	0	0	110.8	L154 I157	L154-M159 HydrophobicContact CD2-CB 4.27Å; L154-M159 PolarHBondContact O-N 3.31Å; I157-M159 HydrophobicContact CD1-SD 4.32Å; I157-M159 HydrophobicContact CG1-CG 4.28Å
160	S	30	Very low	38.2	Very low	117 Å²	117	101.4 Å²	101.4	82%	0.818	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-62.6	133.9	176.7	-38.8	0	0	0	0	111.7
161	I	33.1	Very low	36.6	Very low	120 Å²	120	104.2 Å²	104.2	62%	0.615	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-71.7	122.8	172.1	-55	166.1	0	0	0	107.8	V151	V151-I161 HydrophobicContact CG1-CD1 4.35Å
162	P	27	Very low	35.5	Very low	117 Å²	117	107 Å²	107	76%	0.76	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-67.3	140.6	173.7	26.9	-31.3	0	0	0	110.6
163	S	37.5	Very low	34.4	Very low	198 Å²	198	109.6 Å²	109.6	100%	1.385	67%	0.67	S	S	*	*			trans	-59.4	0	-166.8	-51.4	0	0	0	0	115.8

Retrieved 163 of 163 residues in 134.1 ms (Link to these results)

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