A0A3Q0KBL3_SCHMA Loading...

26S proteasome subunit P28-related

AlphaFold DB , UniProt , Accession A0A3Q0KBL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 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	48.6	Very low	46.9	Very low	245 Å²	245	144.5 Å²	144.5	100%	1.207	84%	0.842	S	S	*	*				0	80.3	0	-68.6	176.6	169.4	0	0	108.1
2	T	49.2	Very low	46.3	Very low	134 Å²	134	149.3 Å²	149.3	82%	0.822	85%	0.845	S	S	*	*			trans	-101.7	97.6	-179	46.5	0	0	0	0	107.9	T4	T2-T4 PolarHBondContact O-N 3.07Å
3	A	50.7	Low	46.1	Very low	104 Å²	104	142.9 Å²	142.9	86%	0.86	82%	0.816	S	S	*	*			trans	-65.2	110	173.6	0	0	0	0	0	108.4	A5	A3-A5 PolarHBondContact O-N 2.98Å
4	T	58	Low	45.8	Very low	129 Å²	129	141 Å²	141	79%	0.791	82%	0.815	S	S	*	*			trans	-69.7	111.8	173.2	46	0	0	0	0	108.1	T2 E6	T2-T4 PolarHBondContact O-N 3.07Å; T4-E6 PolarHBondContact O-N 3.15Å; T4-E6 VanDerWaalsContact O-N 3.15Å
5	A	47.9	Very low	45.9	Very low	97 Å²	97	136.7 Å²	136.7	80%	0.802	79%	0.788	S	S	*	*			trans	-55.9	115.4	171.9	0	0	0	0	0	109.3	A3 S7	A3-A5 PolarHBondContact O-N 2.98Å; A5-S7 PolarHBondContact O-N 3.3Å
6	E	44.6	Very low	45.9	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	77%	0.77	S	S	*	*			trans	-62.8	105.3	169.8	-70.9	-179.9	145.8	0	0	108	T4 V8	T4-E6 PolarHBondContact O-N 3.15Å; T4-E6 VanDerWaalsContact O-N 3.15Å; E6-V8 VanDerWaalsContact C-N 3.29Å; E6-V8 PolarHBondContact O-N 3.06Å
7	S	47.1	Very low	46.1	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	77%	0.773	S	S	*	*			trans	-67	92.3	168	55.6	0	0	0	0	107.8	A5 S9	A5-S7 PolarHBondContact O-N 3.3Å; S7-S9 VanDerWaalsContact C-N 3.32Å; S7-S9 PolarHBondContact O-N 3.32Å
8	V	46.8	Very low	46.4	Very low	130 Å²	130	133.2 Å²	133.2	79%	0.788	75%	0.754	S	S	*	*			trans	-57.7	103.2	163.8	177.5	0	0	0	0	106	E6 E10	E6-V8 VanDerWaalsContact C-N 3.29Å; E6-V8 PolarHBondContact O-N 3.06Å; V8-E10 PolarHBondContact O-N 3.27Å
9	S	46.7	Very low	46.4	Very low	94 Å²	94	130.5 Å²	130.5	66%	0.657	74%	0.742	S	S	*	*			trans	-61.8	103.5	175.8	46.3	0	0	0	0	107.7	S7 Q11	S7-S9 VanDerWaalsContact C-N 3.32Å; S7-S9 PolarHBondContact O-N 3.32Å; S9-Q11 PolarHBondContact O-N 2.94Å
10	E	40.4	Very low	46.3	Very low	186 Å²	186	136.1 Å²	136.1	87%	0.869	75%	0.751	S	S	*	*			trans	-57.3	95.3	165.6	-102	162.3	162.5	0	0	107.5	V8 K12	V8-E10 PolarHBondContact O-N 3.27Å; E10-K12 PolarHBondContact O-N 3.36Å
11	Q	35.5	Very low	46.5	Very low	175 Å²	175	131.2 Å²	131.2	82%	0.818	73%	0.732	S	S	*	*			trans	-60.5	87.1	165	-72.5	-104.1	-59.3	0	0	106.5	S9 S13	S9-Q11 PolarHBondContact O-N 2.94Å; Q11-S13 PolarHBondContact O-N 3.32Å
12	K	40.4	Very low	46.9	Very low	201 Å²	201	126.7 Å²	126.7	87%	0.874	71%	0.706	S	S	*	*			trans	-67.7	79	167.1	-156.8	175	-169.6	179.1	0	105.8	E10 S14	E10-K12 PolarHBondContact O-N 3.36Å; K12-S14 PolarHBondContact O-N 3.31Å
13	S	43.2	Very low	47.7	Very low	67 Å²	67	124.6 Å²	124.6	47%	0.469	69%	0.694	S	S	.	*			trans	-55.3	116.8	173.6	63.5	0	0	0	0	106.1	Q11 D15	Q11-S13 PolarHBondContact O-N 3.32Å; S13-D15 PolarHBondContact O-N 3.29Å; S13-D15 PolarHBondContact OG-OD1 3.21Å
14	S	42.8	Very low	48.7	Very low	116 Å²	116	123.8 Å²	123.8	81%	0.811	68%	0.675	S	S	*	*			trans	-61.3	80.6	173.6	47.5	0	0	0	0	108.4	K12	K12-S14 PolarHBondContact O-N 3.31Å
15	D	46.5	Very low	49.4	Very low	76 Å²	76	119.2 Å²	119.2	41%	0.406	65%	0.645	S	S	.	*			trans	-64.6	122.9	171.4	-71.2	-35.7	0	0	0	106.4	S13 F17 R30	S13-D15 PolarHBondContact O-N 3.29Å; S13-D15 PolarHBondContact OG-OD1 3.21Å; D15-F17 PolarHBondContact O-N 3.03Å; D15-F17 VanDerWaalsContact O-N 3.13Å; D15-R30 IonicContact OD1-NH1 3.91Å; D15-R30 IonicContact OD2-CZ 3.93Å; D15-R30 IonicContact OD2-NH1 2.72Å; D15-R30 PolarHBondContact OD2-NH1 2.89Å
16	P	46.1	Very low	51	Low	77 Å²	77	117.2 Å²	117.2	50%	0.5	62%	0.621	S	S	.	*			trans	-56.1	125.5	179.8	-1.5	4.2	0	0	0	108.4	I18 F56	P16-I18 WeakPolarHBondContact O-CG1 2.84Å; P16-I18 PolarHBondContact O-N 2.91Å; P16-F56 HydrophobicContact CG-CE2 4.28Å; P16-F56 HydrophobicContact CG-CZ 3.85Å
17	F	49.3	Very low	52.9	Low	187 Å²	187	112 Å²	112	82%	0.82	60%	0.599	S	S	*	*			trans	-56.8	103.5	177.7	178.3	-106.4	0	0	0	109.5	D15 P19	D15-F17 PolarHBondContact O-N 3.03Å; D15-F17 VanDerWaalsContact O-N 3.13Å; F17-P19 HydrophobicContact CD1-CG 3.89Å; F17-P19 HydrophobicContact CE1-CB 4.27Å; F17-P19 HydrophobicContact CE1-CG 3.65Å; F17-P19 HydrophobicContact CZ-CG 4.4Å; F17-P19 WeakPolarHBondContact O-CD 3.44Å
18	I	51.6	Low	54.8	Low	84 Å²	84	106.7 Å²	106.7	43%	0.431	56%	0.561	S	S	.	*			trans	-101.6	106.6	173.8	-34	-178.3	0	0	0	107.2	P16 W20	P16-I18 WeakPolarHBondContact O-CG1 2.84Å; P16-I18 PolarHBondContact O-N 2.91Å; I18-W20 PolarHBondContact O-N 3.03Å
19	P	47	Very low	56.7	Low	81 Å²	81	100.5 Å²	100.5	53%	0.526	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-5.8	-170.6	-19.8	31.7	0	0	0	115.9	F17	F17-P19 HydrophobicContact CD1-CG 3.89Å; F17-P19 HydrophobicContact CE1-CB 4.27Å; F17-P19 HydrophobicContact CE1-CG 3.65Å; F17-P19 HydrophobicContact CZ-CG 4.4Å; F17-P19 WeakPolarHBondContact O-CD 3.44Å
20	W	43.4	Very low	58.7	Low	242 Å²	242	100.2 Å²	100.2	92%	0.917	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	32.5	-173.1	-58.1	97.2	0	0	0	114.3	I18	I18-W20 PolarHBondContact O-N 3.03Å
21	G	50.9	Low	61	Low	34 Å²	34	91.8 Å²	91.8	35%	0.351	47%	0.47	S	S	.	.			trans	-104.5	118.9	173	0	0	0	0	0	110.9
22	F	57.7	Low	63.6	Low	150 Å²	150	83.4 Å²	83.4	66%	0.658	43%	0.431	S	S	*	.			trans	-55.1	123.9	167.5	-69.7	-83	0	0	0	108.7	N24 E25	F22-N24 PolarHBondContact O-N 2.96Å; F22-E25 WeakPolarHBondContact CB-OE2 3.39Å; F22-E25 PolarHBondContact O-N 3.4Å
23	P	65.3	Low	65.9	Low	90 Å²	90	78 Å²	78	58%	0.584	41%	0.406	S	S	*	.	H	α-helix	trans	-62.4	-18.5	-172.3	20.8	-31.3	0	0	0	113.2	N27	P23-N27 PolarHBondContact O-N 2.93Å; P23-N27 VanDerWaalsContact O-N 3.09Å; P23-N27 PolarHBondContact O-ND2 3.34Å; P23-N27 PolarHBondContact O-OD1 3.17Å
24	N	71.2	Confident	68	Low	87 Å²	87	81.3 Å²	81.3	47%	0.465	41%	0.413	S	S	.	.	H	α-helix	trans	-74.5	-34.5	-177	-66.1	-19	0	0	0	113.2	F22 N27 L28 V48	F22-N24 PolarHBondContact O-N 2.96Å; N24-N27 VanDerWaalsContact O-CB 3.29Å; N24-N27 WeakPolarHBondContact O-CB 3.19Å; N24-N27 PolarHBondContact O-N 3.13Å; N24-L28 PolarHBondContact O-N 2.82Å; N24-V48 HydrophobicContact CB-CG2 4.32Å
25	E	72.7	Confident	70.1	Confident	33 Å²	33	77.5 Å²	77.5	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-71.2	-41.8	179.3	-74.9	65.1	-168.7	0	0	109.2	F22 N27 L28 C29 V48 F52	F22-E25 WeakPolarHBondContact CB-OE2 3.39Å; F22-E25 PolarHBondContact O-N 3.4Å; E25-N27 VanDerWaalsContact C-N 3.25Å; E25-N27 PolarHBondContact O-N 3.26Å; E25-L28 WeakPolarHBondContact O-CB 3.24Å; E25-L28 PolarHBondContact O-N 3.15Å; E25-L28 VanDerWaalsContact O-N 3.15Å; E25-C29 PolarHBondContact O-N 3.25Å; E25-V48 HydrophobicContact CB-CG1 4.27Å; E25-V48 HydrophobicContact CG-CG1 3.93Å; E25-F52 HydrophobicContact CB-CB 4.12Å; E25-F52 HydrophobicContact CB-CD1 3.56Å; E25-F52 HydrophobicContact CB-CD2 3.71Å; E25-F52 HydrophobicContact CB-CE1 3.77Å; E25-F52 HydrophobicContact CB-CE2 3.93Å; E25-F52 HydrophobicContact CB-CG 3.5Å; E25-F52 HydrophobicContact CB-CZ 3.95Å; E25-F52 HydrophobicContact CG-CB 4.08Å; E25-F52 HydrophobicContact CG-CD1 4.33Å; E25-F52 HydrophobicContact CG-CD2 3.65Å; E25-F52 HydrophobicContact CG-CE2 4.12Å; E25-F52 HydrophobicContact CG-CG 3.75Å
26	L	81	Confident	72.3	Confident	55 Å²	55	77.3 Å²	77.3	29%	0.288	39%	0.387	S	S	.	.	H	α-helix	trans	-64.3	-32.3	171.5	-170.3	63.1	0	0	0	111.6	L28 C29 R30	L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 3.37Å; L26-C29 HydrophobicContact CD1-CB 4.43Å; L26-C29 PolarHBondContact O-N 2.87Å; L26-R30 HydrophobicContact CG-CG 4.47Å; L26-R30 WeakPolarHBondContact O-CG 3.21Å; L26-R30 PolarHBondContact O-N 3.42Å
27	N	85.1	Confident	74.4	Confident	73 Å²	73	77.2 Å²	77.2	39%	0.39	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-36.3	174.2	-68.8	-29.1	0	0	0	112	P23 N24 E25 R30 A31	P23-N27 PolarHBondContact O-N 2.93Å; P23-N27 VanDerWaalsContact O-N 3.09Å; P23-N27 PolarHBondContact O-ND2 3.34Å; P23-N27 PolarHBondContact O-OD1 3.17Å; N24-N27 VanDerWaalsContact O-CB 3.29Å; N24-N27 WeakPolarHBondContact O-CB 3.19Å; N24-N27 PolarHBondContact O-N 3.13Å; E25-N27 VanDerWaalsContact C-N 3.25Å; E25-N27 PolarHBondContact O-N 3.26Å; N27-R30 PolarHBondContact O-N 3.4Å; N27-A31 VanDerWaalsContact O-CB 3.25Å; N27-A31 WeakPolarHBondContact O-CB 3.37Å; N27-A31 PolarHBondContact O-N 3.37Å
28	L	87.4	Confident	76.4	Confident	2 Å²	2	76 Å²	76	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-64.8	-44	174.2	-179.8	64.2	0	0	0	111.3	N24 E25 L26 R30 A31 A32 V40 V48 A60 L76	N24-L28 PolarHBondContact O-N 2.82Å; E25-L28 WeakPolarHBondContact O-CB 3.24Å; E25-L28 PolarHBondContact O-N 3.15Å; E25-L28 VanDerWaalsContact O-N 3.15Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 3.37Å; L28-R30 PolarHBondContact O-N 2.96Å; L28-A31 PolarHBondContact O-N 2.84Å; L28-A32 WeakPolarHBondContact O-CB 3.12Å; L28-A32 PolarHBondContact O-N 3.34Å; L28-V40 HydrophobicContact CD1-CB 4.38Å; L28-V40 HydrophobicContact CD1-CG1 4.07Å; L28-V40 HydrophobicContact CD1-CG2 4.44Å; L28-V48 HydrophobicContact CB-CG1 4.2Å; L28-V48 HydrophobicContact CD2-CG1 4.05Å; L28-A60 HydrophobicContact CD1-CB 4.47Å; L28-A60 HydrophobicContact CD2-CB 3.84Å; L28-A60 HydrophobicContact CG-CB 3.63Å; L28-L76 HydrophobicContact CD1-CD2 4.25Å; L28-L76 HydrophobicContact CD2-CD2 4.27Å
29	C	87.6	Confident	78.2	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.007	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-42.3	176	-70.3	0	0	0	0	112.4	E25 L26 A32 R33 Y63	E25-C29 PolarHBondContact O-N 3.25Å; L26-C29 HydrophobicContact CD1-CB 4.43Å; L26-C29 PolarHBondContact O-N 2.87Å; C29-A32 PolarHBondContact O-N 3.19Å; C29-R33 WeakPolarHBondContact O-CB 3.29Å; C29-R33 PolarHBondContact O-N 2.96Å; C29-Y63 HydrophobicContact CB-CD2 3.73Å; C29-Y63 HydrophobicContact CB-CE2 3.82Å
30	R	86.9	Confident	80.2	Confident	88 Å²	88	68.9 Å²	68.9	33%	0.332	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-46	174.9	-68.5	172.4	76.7	102.1	1.1	111.3	D15 L26 N27 L28 A32 R33 H34	D15-R30 IonicContact OD1-NH1 3.91Å; D15-R30 IonicContact OD2-CZ 3.93Å; D15-R30 IonicContact OD2-NH1 2.72Å; D15-R30 PolarHBondContact OD2-NH1 2.89Å; L26-R30 HydrophobicContact CG-CG 4.47Å; L26-R30 WeakPolarHBondContact O-CG 3.21Å; L26-R30 PolarHBondContact O-N 3.42Å; N27-R30 PolarHBondContact O-N 3.4Å; L28-R30 PolarHBondContact O-N 2.96Å; R30-A32 VanDerWaalsContact C-N 3.35Å; R30-A32 PolarHBondContact O-N 3.15Å; R30-R33 WeakPolarHBondContact O-CB 3.47Å; R30-R33 PolarHBondContact O-N 3.09Å; R30-H34 PolarHBondContact O-CD2 3.29Å; R30-H34 VanDerWaalsContact O-CD2 3.23Å; R30-H34 PolarHBondContact O-N 3.42Å
31	A	89.6	Confident	82.5	Confident	8 Å²	8	60.4 Å²	60.4	7%	0.066	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-44.5	177.6	0	0	0	0	0	111.7	N27 L28 H34 A35 D36 A39 V40	N27-A31 VanDerWaalsContact O-CB 3.25Å; N27-A31 WeakPolarHBondContact O-CB 3.37Å; N27-A31 PolarHBondContact O-N 3.37Å; L28-A31 PolarHBondContact O-N 2.84Å; A31-H34 CarbonylContact O-C 3.46Å; A31-H34 PolarHBondContact O-N 3.49Å; A31-A35 PolarHBondContact O-N 2.88Å; A31-D36 PolarHBondContact O-N 3.21Å; A31-A39 HydrophobicContact CB-CB 3.54Å; A31-V40 HydrophobicContact CB-CG2 3.86Å
32	A	90.3	Very high	84.3	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-41.7	175.6	0	0	0	0	0	112.6	L28 C29 R30 H34 A35 A60 A64	L28-A32 WeakPolarHBondContact O-CB 3.12Å; L28-A32 PolarHBondContact O-N 3.34Å; C29-A32 PolarHBondContact O-N 3.19Å; R30-A32 VanDerWaalsContact C-N 3.35Å; R30-A32 PolarHBondContact O-N 3.15Å; A32-H34 VanDerWaalsContact C-N 3.3Å; A32-H34 PolarHBondContact O-N 3.39Å; A32-A35 PolarHBondContact O-N 3.39Å; A32-A60 HydrophobicContact CB-CB 4.11Å; A32-A60 VanDerWaalsContact CB-O 3.23Å; A32-A60 WeakPolarHBondContact CB-O 3.13Å; A32-A64 HydrophobicContact CB-CB 4.1Å
33	R	87.8	Confident	85.7	Confident	88 Å²	88	59.4 Å²	59.4	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-39.1	176.4	-174.6	-175.2	-64.6	158	-2.7	112.2	C29 R30 Y63 N67	C29-R33 WeakPolarHBondContact O-CB 3.29Å; C29-R33 PolarHBondContact O-N 2.96Å; R30-R33 WeakPolarHBondContact O-CB 3.47Å; R30-R33 PolarHBondContact O-N 3.09Å; R33-Y63 HydrophobicContact CB-CD1 4.17Å; R33-Y63 HydrophobicContact CB-CG 4.28Å; R33-Y63 HydrophobicContact CG-CD1 4.27Å; R33-Y63 PolarHBondContact NH2-OH 2.9Å; R33-N67 PolarHBondContact O-ND2 3.18Å; R33-N67 VanDerWaalsContact O-ND2 3.12Å
34	H	88.8	Confident	86.7	Confident	136 Å²	136	56.4 Å²	56.4	63%	0.63	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	6.4	179.5	-67.6	-68	0	0	0	114	R30 A31 A32 D36	R30-H34 PolarHBondContact O-CD2 3.29Å; R30-H34 VanDerWaalsContact O-CD2 3.23Å; R30-H34 PolarHBondContact O-N 3.42Å; A31-H34 CarbonylContact O-C 3.46Å; A31-H34 PolarHBondContact O-N 3.49Å; A32-H34 VanDerWaalsContact C-N 3.3Å; A32-H34 PolarHBondContact O-N 3.39Å; H34-D36 PolarHBondContact O-N 3.21Å
35	A	86.8	Confident	87.5	Confident	35 Å²	35	56.2 Å²	56.2	29%	0.289	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	30	-174.1	0	0	0	0	0	114.2	A31 A32 I37 N67 S69	A31-A35 PolarHBondContact O-N 2.88Å; A32-A35 PolarHBondContact O-N 3.39Å; A35-I37 PolarHBondContact O-N 2.85Å; A35-N67 VanDerWaalsContact CB-ND2 3.29Å; A35-N67 WeakPolarHBondContact CB-ND2 3.34Å; A35-N67 PolarHBondContact N-ND2 3.45Å; A35-S69 WeakPolarHBondContact CB-OG 3.33Å
36	D	91.3	Very high	88.1	Confident	72 Å²	72	60 Å²	60	39%	0.385	31%	0.308	S	S	.	.			trans	-79.2	90.8	174.9	-174.3	-11.8	0	0	0	109.7	A31 H34 K38 A39 V40	A31-D36 PolarHBondContact O-N 3.21Å; H34-D36 PolarHBondContact O-N 3.21Å; D36-K38 PolarHBondContact O-N 2.53Å; D36-K38 WeakPolarHBondContact OD1-CB 3.32Å; D36-K38 PolarHBondContact OD1-N 2.89Å; D36-A39 HydrophobicContact CB-CB 3.9Å; D36-A39 VanDerWaalsContact CG-CB 3.41Å; D36-A39 PolarHBondContact O-N 3.3Å; D36-A39 PolarHBondContact OD1-N 2.72Å; D36-A39 WeakPolarHBondContact OD2-CB 3.41Å; D36-V40 VanDerWaalsContact O-CG2 3.26Å; D36-V40 WeakPolarHBondContact O-CG2 3.46Å; D36-V40 PolarHBondContact O-N 2.72Å
37	I	91.4	Very high	88.1	Confident	75 Å²	75	60.5 Å²	60.5	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-58.3	-36.5	179.4	-58.9	166	0	0	0	111.1	A35 V40 S41 E71 L75	A35-I37 PolarHBondContact O-N 2.85Å; I37-V40 PolarHBondContact O-N 3.03Å; I37-S41 VanDerWaalsContact O-CB 3.29Å; I37-S41 WeakPolarHBondContact O-CB 3.48Å; I37-S41 PolarHBondContact O-N 2.78Å; I37-E71 HydrophobicContact CD1-CB 3.66Å; I37-E71 HydrophobicContact CD1-CG 4.09Å; I37-E71 HydrophobicContact CG1-CB 4.09Å; I37-L75 HydrophobicContact CG2-CD1 3.74Å
38	K	90.7	Very high	88.1	Confident	163 Å²	163	57.6 Å²	57.6	71%	0.709	31%	0.311	S	S	*	.	H	α-helix	trans	-69.2	-42.7	-179.5	-68.1	-179.5	179.7	176.8	0	110.3	D36 R42	D36-K38 PolarHBondContact O-N 2.53Å; D36-K38 WeakPolarHBondContact OD1-CB 3.32Å; D36-K38 PolarHBondContact OD1-N 2.89Å; K38-R42 WeakPolarHBondContact O-CB 3.49Å; K38-R42 PolarHBondContact O-N 3.22Å
39	A	89	Confident	88	Confident	15 Å²	15	62 Å²	62	12%	0.124	34%	0.335	C	S	.	.	H	α-helix	trans	-67.5	-40.6	175.3	0	0	0	0	0	112	A31 D36 S41 R42 S43	A31-A39 HydrophobicContact CB-CB 3.54Å; D36-A39 HydrophobicContact CB-CB 3.9Å; D36-A39 VanDerWaalsContact CG-CB 3.41Å; D36-A39 PolarHBondContact O-N 3.3Å; D36-A39 PolarHBondContact OD1-N 2.72Å; D36-A39 WeakPolarHBondContact OD2-CB 3.41Å; A39-S41 PolarHBondContact O-N 2.99Å; A39-R42 PolarHBondContact O-N 3.17Å; A39-S43 WeakPolarHBondContact O-CB 3.14Å; A39-S43 PolarHBondContact O-N 2.93Å; A39-S43 PolarHBondContact O-OG 3.5Å
40	V	90.2	Very high	88	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-49.7	173.5	171.5	0	0	0	0	110.7	L28 A31 D36 I37 R42 S43 I44 L75 L76	L28-V40 HydrophobicContact CD1-CB 4.38Å; L28-V40 HydrophobicContact CD1-CG1 4.07Å; L28-V40 HydrophobicContact CD1-CG2 4.44Å; A31-V40 HydrophobicContact CB-CG2 3.86Å; D36-V40 VanDerWaalsContact O-CG2 3.26Å; D36-V40 WeakPolarHBondContact O-CG2 3.46Å; D36-V40 PolarHBondContact O-N 2.72Å; I37-V40 PolarHBondContact O-N 3.03Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 3.12Å; V40-S43 PolarHBondContact O-N 3.48Å; V40-I44 HydrophobicContact CG1-CD1 3.82Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 3.46Å; V40-L75 HydrophobicContact CG1-CB 4.44Å; V40-L75 HydrophobicContact CG1-CD1 4.41Å; V40-L76 HydrophobicContact CG1-CD2 4.48Å
41	S	91.2	Very high	88	Confident	64 Å²	64	61.1 Å²	61.1	45%	0.448	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-42.4	178.2	-177	0	0	0	0	112	I37 A39 I44 A45	I37-S41 VanDerWaalsContact O-CB 3.29Å; I37-S41 WeakPolarHBondContact O-CB 3.48Å; I37-S41 PolarHBondContact O-N 2.78Å; A39-S41 PolarHBondContact O-N 2.99Å; S41-I44 PolarHBondContact O-N 3.46Å; S41-A45 WeakPolarHBondContact O-CB 3.37Å; S41-A45 PolarHBondContact O-N 3.03Å
42	R	89	Confident	87.9	Confident	151 Å²	151	63 Å²	63	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-63.8	-43.3	176	-166.6	-174.1	-58.4	118.9	0.1	112.1	K38 A39 V40 A45 N46	K38-R42 WeakPolarHBondContact O-CB 3.49Å; K38-R42 PolarHBondContact O-N 3.22Å; A39-R42 PolarHBondContact O-N 3.17Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 3.12Å; R42-A45 PolarHBondContact O-N 3.48Å; R42-N46 PolarHBondContact O-N 3.44Å; R42-N46 PolarHBondContact O-OD1 2.8Å
43	S	86	Confident	87.6	Confident	11 Å²	11	67.4 Å²	67.4	8%	0.077	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-40.4	177.5	-71.9	0	0	0	0	112.1	A39 V40 N46 V48	A39-S43 WeakPolarHBondContact O-CB 3.14Å; A39-S43 PolarHBondContact O-N 2.93Å; A39-S43 PolarHBondContact O-OG 3.5Å; V40-S43 PolarHBondContact O-N 3.48Å; S43-N46 PolarHBondContact O-N 2.98Å; S43-V48 WeakPolarHBondContact O-CB 3.37Å; S43-V48 VanDerWaalsContact O-CG2 3.24Å; S43-V48 WeakPolarHBondContact O-CG2 3.44Å; S43-V48 PolarHBondContact O-N 3.26Å
44	I	86.5	Confident	87.4	Confident	28 Å²	28	63.9 Å²	63.9	14%	0.144	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-43.7	173.9	-66.6	167.6	0	0	0	110.4	V40 S41 N46 G47 I50 L75 N79	V40-I44 HydrophobicContact CG1-CD1 3.82Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 3.46Å; S41-I44 PolarHBondContact O-N 3.46Å; I44-N46 PolarHBondContact O-N 2.93Å; I44-G47 PolarHBondContact O-N 2.96Å; I44-I50 HydrophobicContact CG1-CG1 4.48Å; I44-L75 HydrophobicContact CD1-CB 4.33Å; I44-N79 HydrophobicContact CG2-CB 4.31Å; I44-N79 WeakPolarHBondContact CG2-OD1 3.43Å
45	A	87.3	Confident	87	Confident	83 Å²	83	60.2 Å²	60.2	69%	0.686	35%	0.352	S	S	*	.	H	α-helix	trans	-63.5	-28.9	176.8	0	0	0	0	0	113.3	S41 R42 G47	S41-A45 WeakPolarHBondContact O-CB 3.37Å; S41-A45 PolarHBondContact O-N 3.03Å; R42-A45 PolarHBondContact O-N 3.48Å; A45-G47 PolarHBondContact O-N 3.33Å
46	N	85.3	Confident	86.8	Confident	112 Å²	112	63.4 Å²	63.4	60%	0.599	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.5	175.3	-70.2	-8.3	0	0	0	113.4	R42 S43 I44 V48	R42-N46 PolarHBondContact O-N 3.44Å; R42-N46 PolarHBondContact O-OD1 2.8Å; S43-N46 PolarHBondContact O-N 2.98Å; I44-N46 PolarHBondContact O-N 2.93Å; N46-V48 HydrophobicContact CB-CG2 4.36Å
47	G	82.7	Confident	86.6	Confident	65 Å²	65	60.7 Å²	60.7	67%	0.67	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	25	-180	0	0	0	0	0	113.9	I44 A45	I44-G47 PolarHBondContact O-N 2.96Å; A45-G47 PolarHBondContact O-N 3.33Å
48	V	84.4	Confident	86.5	Confident	13 Å²	13	59.8 Å²	59.8	8%	0.079	34%	0.343	C	S	.	.			trans	-62.7	140.1	174	175.5	0	0	0	0	109.8	N24 E25 L28 S43 N46 I50	N24-V48 HydrophobicContact CB-CG2 4.32Å; E25-V48 HydrophobicContact CB-CG1 4.27Å; E25-V48 HydrophobicContact CG-CG1 3.93Å; L28-V48 HydrophobicContact CB-CG1 4.2Å; L28-V48 HydrophobicContact CD2-CG1 4.05Å; S43-V48 WeakPolarHBondContact O-CB 3.37Å; S43-V48 VanDerWaalsContact O-CG2 3.24Å; S43-V48 WeakPolarHBondContact O-CG2 3.44Å; S43-V48 PolarHBondContact O-N 3.26Å; N46-V48 HydrophobicContact CB-CG2 4.36Å; V48-I50 PolarHBondContact O-N 3.24Å; V48-I50 VanDerWaalsContact O-N 3.15Å
49	D	85.7	Confident	86.5	Confident	93 Å²	93	52 Å²	52	50%	0.497	31%	0.309	S	S	.	.			trans	-65.5	114.5	171.8	-175.8	4.7	0	0	0	110.5	N51 F52	D49-N51 PolarHBondContact O-N 3.42Å; D49-N51 PolarHBondContact OD1-N 2.89Å; D49-F52 HydrophobicContact CB-CB 4.39Å; D49-F52 WeakPolarHBondContact O-CB 3.25Å; D49-F52 PolarHBondContact O-N 2.9Å; D49-F52 VanDerWaalsContact O-N 3.15Å
50	I	87.3	Confident	86.7	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.118	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-27.2	-176.9	-65.7	157.6	0	0	0	111.5	I44 V48 F52 L76 N79 A81	I44-I50 HydrophobicContact CG1-CG1 4.48Å; V48-I50 PolarHBondContact O-N 3.24Å; V48-I50 VanDerWaalsContact O-N 3.15Å; I50-F52 VanDerWaalsContact C-N 3.29Å; I50-L76 HydrophobicContact CG2-CD2 3.89Å; I50-N79 HydrophobicContact CD1-CB 3.28Å; I50-N79 WeakPolarHBondContact CD1-O 3.43Å; I50-A81 HydrophobicContact CG2-CB 3.57Å
51	N	87.1	Confident	86.9	Confident	48 Å²	48	51.4 Å²	51.4	26%	0.257	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	12.1	178	-63.2	-58.1	0	0	0	112.2	D49 I53 K80 N82 I85	D49-N51 PolarHBondContact O-N 3.42Å; D49-N51 PolarHBondContact OD1-N 2.89Å; N51-I53 WeakPolarHBondContact O-CG1 3.2Å; N51-I53 PolarHBondContact O-N 3.12Å; N51-K80 PolarHBondContact ND2-O 2.96Å; N51-N82 PolarHBondContact OD1-N 3.49Å; N51-I85 HydrophobicContact CB-CD1 4.03Å
52	F	86.6	Confident	87	Confident	48 Å²	48	48.4 Å²	48.4	21%	0.211	28%	0.283	C	S	.	.			trans	-53.3	134.9	173.3	174.7	-96.8	0	0	0	110.9	E25 D49 I50 D54 T59	E25-F52 HydrophobicContact CB-CB 4.12Å; E25-F52 HydrophobicContact CB-CD1 3.56Å; E25-F52 HydrophobicContact CB-CD2 3.71Å; E25-F52 HydrophobicContact CB-CE1 3.77Å; E25-F52 HydrophobicContact CB-CE2 3.93Å; E25-F52 HydrophobicContact CB-CG 3.5Å; E25-F52 HydrophobicContact CB-CZ 3.95Å; E25-F52 HydrophobicContact CG-CB 4.08Å; E25-F52 HydrophobicContact CG-CD1 4.33Å; E25-F52 HydrophobicContact CG-CD2 3.65Å; E25-F52 HydrophobicContact CG-CE2 4.12Å; E25-F52 HydrophobicContact CG-CG 3.75Å; D49-F52 HydrophobicContact CB-CB 4.39Å; D49-F52 WeakPolarHBondContact O-CB 3.25Å; D49-F52 PolarHBondContact O-N 2.9Å; D49-F52 VanDerWaalsContact O-N 3.15Å; I50-F52 VanDerWaalsContact C-N 3.29Å; F52-D54 HydrophobicContact CE1-CB 4.23Å; F52-T59 WeakPolarHBondContact O-CA 3.28Å; F52-T59 WeakPolarHBondContact O-CG2 3.38Å
53	I	85.4	Confident	87.2	Confident	92 Å²	92	42.2 Å²	42.2	47%	0.472	26%	0.259	S	S	.	.			trans	-111	122.6	-177	-29.2	176.2	0	0	0	107.8	N51 G57	N51-I53 WeakPolarHBondContact O-CG1 3.2Å; N51-I53 PolarHBondContact O-N 3.12Å; I53-G57 WeakPolarHBondContact CG2-O 3.32Å
54	D	83.2	Confident	87.7	Confident	14 Å²	14	41.7 Å²	41.7	8%	0.075	26%	0.256	C	S	.	.			trans	-77.1	-179.8	176.6	74.6	8.7	0	0	0	112.4	F52 F56 G57 K58 Y63	F52-D54 HydrophobicContact CE1-CB 4.23Å; D54-F56 PolarHBondContact O-N 3.48Å; D54-F56 WeakPolarHBondContact OD1-CA 3.35Å; D54-F56 WeakPolarHBondContact OD1-CB 3.25Å; D54-F56 PolarHBondContact OD1-N 2.96Å; D54-G57 PolarHBondContact O-N 2.87Å; D54-G57 PolarHBondContact OD1-N 3.33Å; D54-K58 VanDerWaalsContact CG-O 3.29Å; D54-K58 PolarHBondContact N-O 3Å; D54-K58 WeakPolarHBondContact OD1-CA 3.45Å; D54-K58 WeakPolarHBondContact OD1-CB 3.29Å; D54-K58 PolarHBondContact OD1-N 2.91Å; D54-Y63 VanDerWaalsContact OD2-CE2 3.25Å; D54-Y63 WeakPolarHBondContact OD2-CE2 3.36Å; D54-Y63 VanDerWaalsContact OD2-CZ 3.28Å; D54-Y63 PolarHBondContact OD2-OH 3.25Å
55	G	80.4	Confident	88.1	Confident	59 Å²	59	40.3 Å²	40.3	61%	0.608	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-10.8	179	0	0	0	0	0	115.2
56	F	82.1	Confident	88.4	Confident	102 Å²	102	38.5 Å²	38.5	45%	0.447	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.5	174	-58	-75.2	0	0	0	112.5	P16 D54 K58 S88	P16-F56 HydrophobicContact CG-CE2 4.28Å; P16-F56 HydrophobicContact CG-CZ 3.85Å; D54-F56 PolarHBondContact O-N 3.48Å; D54-F56 WeakPolarHBondContact OD1-CA 3.35Å; D54-F56 WeakPolarHBondContact OD1-CB 3.25Å; D54-F56 PolarHBondContact OD1-N 2.96Å; F56-K58 VanDerWaalsContact C-N 3.25Å; F56-K58 HydrophobicContact CB-CD 4.28Å; F56-K58 HydrophobicContact CB-CG 4.25Å; F56-K58 PolarHBondContact O-N 2.93Å; F56-S88 PolarHBondContact O-N 3.03Å; F56-S88 PolarHBondContact O-OG 3.06Å
57	G	86.4	Confident	88.7	Confident	16 Å²	16	36.8 Å²	36.8	17%	0.165	22%	0.224	C	C	.	.	S	Bend	trans	78	8.8	-172.1	0	0	0	0	0	113.2	I53 D54 D87	I53-G57 WeakPolarHBondContact CG2-O 3.32Å; D54-G57 PolarHBondContact O-N 2.87Å; D54-G57 PolarHBondContact OD1-N 3.33Å; G57-D87 VanDerWaalsContact O-CA 3.28Å; G57-D87 WeakPolarHBondContact O-CA 3.14Å
58	K	89.4	Confident	89.1	Confident	55 Å²	55	34.7 Å²	34.7	24%	0.239	20%	0.203	C	C	.	.			trans	-96.6	139.7	-173.6	-68	178	-179.9	173.8	0	111.8	D54 F56 H62 Y63 D87	D54-K58 VanDerWaalsContact CG-O 3.29Å; D54-K58 PolarHBondContact N-O 3Å; D54-K58 WeakPolarHBondContact OD1-CA 3.45Å; D54-K58 WeakPolarHBondContact OD1-CB 3.29Å; D54-K58 PolarHBondContact OD1-N 2.91Å; F56-K58 VanDerWaalsContact C-N 3.25Å; F56-K58 HydrophobicContact CB-CD 4.28Å; F56-K58 HydrophobicContact CB-CG 4.25Å; F56-K58 PolarHBondContact O-N 2.93Å; K58-H62 HydrophobicContact CB-CB 4.06Å; K58-H62 HydrophobicContact CG-CB 4.25Å; K58-Y63 HydrophobicContact CB-CD2 4.47Å; K58-Y63 HydrophobicContact CB-CE2 3.71Å; K58-Y63 HydrophobicContact CD-CE1 4.19Å; K58-D87 WeakPolarHBondContact CE-OD2 3.37Å; K58-D87 HydrophobicContact CG-CB 3.67Å; K58-D87 IonicContact NZ-OD2 3.92Å
59	T	91.6	Very high	89.5	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	20%	0.204	C	C	.	.			trans	-98.3	168.3	171.9	68.5	0	0	0	0	111.3	F52 L61 H62 Y63 I85	F52-T59 WeakPolarHBondContact O-CA 3.28Å; F52-T59 WeakPolarHBondContact O-CG2 3.38Å; T59-L61 PolarHBondContact O-N 3.01Å; T59-L61 VanDerWaalsContact O-N 3.12Å; T59-L61 PolarHBondContact OG1-N 2.83Å; T59-H62 PolarHBondContact N-ND1 3.39Å; T59-H62 VanDerWaalsContact N-ND1 3.17Å; T59-H62 WeakPolarHBondContact O-CB 3.49Å; T59-H62 PolarHBondContact O-N 2.92Å; T59-H62 PolarHBondContact OG1-ND1 3.47Å; T59-Y63 WeakPolarHBondContact O-CD2 3.44Å; T59-Y63 PolarHBondContact O-N 3.44Å; T59-I85 HydrophobicContact CG2-CB 4.29Å; T59-I85 HydrophobicContact CG2-CD1 3.78Å; T59-I85 HydrophobicContact CG2-CG2 3.81Å
60	A	92	Very high	89.8	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-53.8	-33.2	172.5	0	0	0	0	0	112.6	L28 A32 H62 Y63 A64 L76	L28-A60 HydrophobicContact CD1-CB 4.47Å; L28-A60 HydrophobicContact CD2-CB 3.84Å; L28-A60 HydrophobicContact CG-CB 3.63Å; A32-A60 HydrophobicContact CB-CB 4.11Å; A32-A60 VanDerWaalsContact CB-O 3.23Å; A32-A60 WeakPolarHBondContact CB-O 3.13Å; A60-H62 PolarHBondContact O-N 3.28Å; A60-Y63 PolarHBondContact O-N 2.97Å; A60-A64 WeakPolarHBondContact O-CB 3.11Å; A60-A64 PolarHBondContact O-N 2.9Å; A60-L76 HydrophobicContact CB-CD1 4.05Å; A60-L76 HydrophobicContact CB-CD2 3.99Å
61	L	94.6	Very high	90.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-35.8	177.4	-170.9	62.9	0	0	0	112.5	T59 Y63 A64 A65 V73 L76 V77 A81 V83 P93 L109	T59-L61 PolarHBondContact O-N 3.01Å; T59-L61 VanDerWaalsContact O-N 3.12Å; T59-L61 PolarHBondContact OG1-N 2.83Å; L61-Y63 VanDerWaalsContact C-N 3.34Å; L61-Y63 PolarHBondContact O-N 3.17Å; L61-A64 PolarHBondContact O-N 3.48Å; L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 2.98Å; L61-V73 HydrophobicContact CD1-CB 4.27Å; L61-V73 HydrophobicContact CD1-CG1 3.92Å; L61-V73 HydrophobicContact CD1-CG2 4.13Å; L61-L76 HydrophobicContact CB-CD1 4.35Å; L61-L76 HydrophobicContact CD1-CB 4.25Å; L61-L76 HydrophobicContact CD1-CD1 4.22Å; L61-V77 HydrophobicContact CD1-CG2 4.24Å; L61-A81 HydrophobicContact CD2-CB 4.29Å; L61-V83 HydrophobicContact CD2-CB 4.31Å; L61-V83 HydrophobicContact CD2-CG1 4.01Å; L61-P93 HydrophobicContact CB-CG 4.33Å; L61-P93 HydrophobicContact CD2-CB 4.29Å; L61-P93 HydrophobicContact CD2-CG 3.91Å; L61-P93 HydrophobicContact CG-CB 4.01Å; L61-P93 HydrophobicContact CG-CG 3.9Å; L61-L109 HydrophobicContact CD1-CD2 4.38Å; L61-L109 HydrophobicContact CD2-CD2 4.35Å
62	H	94.4	Very high	90.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-45.4	174	-71.3	79.1	0	0	0	111.1	K58 T59 A60 A65 A66 I85 T91 P93 L96	K58-H62 HydrophobicContact CB-CB 4.06Å; K58-H62 HydrophobicContact CG-CB 4.25Å; T59-H62 PolarHBondContact N-ND1 3.39Å; T59-H62 VanDerWaalsContact N-ND1 3.17Å; T59-H62 WeakPolarHBondContact O-CB 3.49Å; T59-H62 PolarHBondContact O-N 2.92Å; T59-H62 PolarHBondContact OG1-ND1 3.47Å; A60-H62 PolarHBondContact O-N 3.28Å; H62-A65 PolarHBondContact O-N 2.93Å; H62-A66 WeakPolarHBondContact O-CB 3.2Å; H62-A66 PolarHBondContact O-N 3.21Å; H62-I85 PolarHBondContact CE1-O 2.75Å; H62-I85 VanDerWaalsContact CE1-O 3.24Å; H62-I85 PolarHBondContact NE2-O 3.2Å; H62-T91 PolarHBondContact CD2-O 2.92Å; H62-T91 PolarHBondContact NE2-O 3.44Å; H62-P93 WeakPolarHBondContact NE2-CD 3.16Å; H62-L96 HydrophobicContact CB-CD1 3.7Å; H62-L96 WeakPolarHBondContact O-CD1 3.47Å
63	Y	93.8	Very high	90.7	Very high	21 Å²	21	32 Å²	32	8%	0.082	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-42.8	179.3	-69	-66.3	0	0	0	112.7	C29 R33 D54 K58 T59 A60 L61 A65 A66 N67	C29-Y63 HydrophobicContact CB-CD2 3.73Å; C29-Y63 HydrophobicContact CB-CE2 3.82Å; R33-Y63 HydrophobicContact CB-CD1 4.17Å; R33-Y63 HydrophobicContact CB-CG 4.28Å; R33-Y63 HydrophobicContact CG-CD1 4.27Å; R33-Y63 PolarHBondContact NH2-OH 2.9Å; D54-Y63 VanDerWaalsContact OD2-CE2 3.25Å; D54-Y63 WeakPolarHBondContact OD2-CE2 3.36Å; D54-Y63 VanDerWaalsContact OD2-CZ 3.28Å; D54-Y63 PolarHBondContact OD2-OH 3.25Å; K58-Y63 HydrophobicContact CB-CD2 4.47Å; K58-Y63 HydrophobicContact CB-CE2 3.71Å; K58-Y63 HydrophobicContact CD-CE1 4.19Å; T59-Y63 WeakPolarHBondContact O-CD2 3.44Å; T59-Y63 PolarHBondContact O-N 3.44Å; A60-Y63 PolarHBondContact O-N 2.97Å; L61-Y63 VanDerWaalsContact C-N 3.34Å; L61-Y63 PolarHBondContact O-N 3.17Å; Y63-A65 VanDerWaalsContact C-N 3.3Å; Y63-A65 PolarHBondContact O-N 3.5Å; Y63-A66 PolarHBondContact O-N 2.96Å; Y63-N67 WeakPolarHBondContact O-CB 3.26Å; Y63-N67 PolarHBondContact O-N 3.46Å
64	A	94.8	Very high	91.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-40.2	175.4	0	0	0	0	0	111.7	A32 A60 L61 G68 S69 V73 L76	A32-A64 HydrophobicContact CB-CB 4.1Å; A60-A64 WeakPolarHBondContact O-CB 3.11Å; A60-A64 PolarHBondContact O-N 2.9Å; L61-A64 PolarHBondContact O-N 3.48Å; A64-G68 PolarHBondContact O-N 3.46Å; A64-G68 VanDerWaalsContact O-N 3.08Å; A64-S69 PolarHBondContact O-N 3.34Å; A64-V73 HydrophobicContact CB-CG2 3.69Å; A64-L76 HydrophobicContact CB-CD1 3.95Å
65	A	95	Very high	91.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69	-42.5	177.9	0	0	0	0	0	112.7	L61 H62 Y63 N67 G68 P93 A97 H102 V105 L109	L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 2.98Å; H62-A65 PolarHBondContact O-N 2.93Å; Y63-A65 VanDerWaalsContact C-N 3.3Å; Y63-A65 PolarHBondContact O-N 3.5Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 3.47Å; A65-G68 PolarHBondContact O-N 3.05Å; A65-P93 HydrophobicContact CB-CB 3.93Å; A65-P93 WeakPolarHBondContact CB-O 3.32Å; A65-A97 HydrophobicContact CB-CB 4.22Å; A65-H102 PolarHBondContact O-CD2 2.97Å; A65-H102 VanDerWaalsContact O-CD2 3.25Å; A65-V105 HydrophobicContact CB-CG1 4.31Å; A65-L109 HydrophobicContact CB-CD1 4.3Å
66	A	93.8	Very high	92	Very high	44 Å²	44	30.7 Å²	30.7	36%	0.364	16%	0.16	S	C	.	.	H	α-helix	trans	-62	-38.7	175.5	0	0	0	0	0	112.5	H62 Y63 G68 L96 H102	H62-A66 WeakPolarHBondContact O-CB 3.2Å; H62-A66 PolarHBondContact O-N 3.21Å; Y63-A66 PolarHBondContact O-N 2.96Å; A66-G68 VanDerWaalsContact C-N 3.32Å; A66-L96 HydrophobicContact CB-CB 4.06Å; A66-L96 HydrophobicContact CB-CD1 4.26Å; A66-H102 PolarHBondContact O-NE2 3.4Å
67	N	92.3	Very high	92.5	Very high	76 Å²	76	27.3 Å²	27.3	41%	0.406	15%	0.148	S	C	.	.	H	α-helix	trans	-80.7	-12.1	178.6	-164.8	41	0	0	0	113.4	R33 A35 Y63 A65 S69	R33-N67 PolarHBondContact O-ND2 3.18Å; R33-N67 VanDerWaalsContact O-ND2 3.12Å; A35-N67 VanDerWaalsContact CB-ND2 3.29Å; A35-N67 WeakPolarHBondContact CB-ND2 3.34Å; A35-N67 PolarHBondContact N-ND2 3.45Å; Y63-N67 WeakPolarHBondContact O-CB 3.26Å; Y63-N67 PolarHBondContact O-N 3.46Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 3.47Å; N67-S69 VanDerWaalsContact C-N 3.34Å
68	G	91.8	Very high	92.8	Very high	22 Å²	22	30.3 Å²	30.3	23%	0.227	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	19	-177.9	0	0	0	0	0	114.6	A64 A65 A66 Y70 H102	A64-G68 PolarHBondContact O-N 3.46Å; A64-G68 VanDerWaalsContact O-N 3.08Å; A65-G68 PolarHBondContact O-N 3.05Å; A66-G68 VanDerWaalsContact C-N 3.32Å; G68-Y70 PolarHBondContact O-N 3.23Å; G68-H102 WeakPolarHBondContact CA-CD2 3.49Å; G68-H102 WeakPolarHBondContact CA-ND1 3.35Å; G68-H102 PolarHBondContact N-CD2 3.43Å; G68-H102 PolarHBondContact N-NE2 2.98Å
69	S	92.4	Very high	92.8	Very high	14 Å²	14	30.9 Å²	30.9	10%	0.098	18%	0.177	C	C	.	.			trans	-77.6	88	-176.9	-169.2	0	0	0	0	111.2	A35 A64 N67 E71 S72 V73	A35-S69 WeakPolarHBondContact CB-OG 3.33Å; A64-S69 PolarHBondContact O-N 3.34Å; N67-S69 VanDerWaalsContact C-N 3.34Å; S69-E71 VanDerWaalsContact C-N 3.32Å; S69-E71 PolarHBondContact O-N 2.94Å; S69-S72 PolarHBondContact O-N 3.04Å; S69-S72 WeakPolarHBondContact OG-CB 3.33Å; S69-S72 PolarHBondContact OG-OG 3.48Å; S69-V73 WeakPolarHBondContact O-CG2 3.23Å; S69-V73 PolarHBondContact O-N 3.32Å
70	Y	92	Very high	92.6	Very high	68 Å²	68	39.5 Å²	39.5	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-54	-45.7	179.6	176.8	-100.9	0	0	0	113	G68 S72 V73 K74 R104 F108	G68-Y70 PolarHBondContact O-N 3.23Å; Y70-S72 PolarHBondContact O-N 2.76Å; Y70-V73 PolarHBondContact O-N 2.8Å; Y70-K74 HydrophobicContact CE1-CD 4.24Å; Y70-K74 WeakPolarHBondContact O-CB 3.35Å; Y70-K74 PolarHBondContact O-N 2.74Å; Y70-R104 HydrophobicContact CD2-CB 4.38Å; Y70-F108 HydrophobicContact CD2-CB 4.29Å; Y70-F108 HydrophobicContact CE2-CB 3.82Å; Y70-F108 AromaticContact CE2-CD2 3.73Å; Y70-F108 HydrophobicContact CE2-CD2 3.73Å; Y70-F108 AromaticContact CE2-CG 3.88Å; Y70-F108 HydrophobicContact CE2-CG 3.88Å
71	E	92.8	Very high	92.5	Very high	87 Å²	87	40 Å²	40	41%	0.407	22%	0.218	S	C	.	.	H	α-helix	trans	-66.3	-38.7	-179.9	-64.7	-56.2	151.7	0	0	112.5	I37 S69 K74 L75	I37-E71 HydrophobicContact CD1-CB 3.66Å; I37-E71 HydrophobicContact CD1-CG 4.09Å; I37-E71 HydrophobicContact CG1-CB 4.09Å; S69-E71 VanDerWaalsContact C-N 3.32Å; S69-E71 PolarHBondContact O-N 2.94Å; E71-K74 PolarHBondContact O-N 2.89Å; E71-L75 WeakPolarHBondContact O-CG 3.45Å; E71-L75 PolarHBondContact O-N 3Å
72	S	92.4	Very high	92.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-43.8	176.4	-55.7	0	0	0	0	111.2	S69 Y70 K74 L75 L76	S69-S72 PolarHBondContact O-N 3.04Å; S69-S72 WeakPolarHBondContact OG-CB 3.33Å; S69-S72 PolarHBondContact OG-OG 3.48Å; Y70-S72 PolarHBondContact O-N 2.76Å; S72-K74 VanDerWaalsContact C-N 3.32Å; S72-K74 PolarHBondContact O-N 2.85Å; S72-L75 PolarHBondContact O-N 3.48Å; S72-L76 WeakPolarHBondContact O-CB 3.38Å; S72-L76 WeakPolarHBondContact O-CD1 3.4Å; S72-L76 WeakPolarHBondContact O-CG 3.33Å; S72-L76 PolarHBondContact O-N 2.94Å
73	V	94.2	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-45.9	174.7	170.4	0	0	0	0	110.5	L61 A64 S69 Y70 L75 L76 V77 V105 F108 L109	L61-V73 HydrophobicContact CD1-CB 4.27Å; L61-V73 HydrophobicContact CD1-CG1 3.92Å; L61-V73 HydrophobicContact CD1-CG2 4.13Å; A64-V73 HydrophobicContact CB-CG2 3.69Å; S69-V73 WeakPolarHBondContact O-CG2 3.23Å; S69-V73 PolarHBondContact O-N 3.32Å; Y70-V73 PolarHBondContact O-N 2.8Å; V73-L75 PolarHBondContact O-N 3.11Å; V73-L76 PolarHBondContact O-N 3.34Å; V73-V77 HydrophobicContact CG1-CG2 4.35Å; V73-V77 WeakPolarHBondContact O-CB 2.97Å; V73-V77 WeakPolarHBondContact O-CG2 3.47Å; V73-V77 PolarHBondContact O-N 3.38Å; V73-V105 HydrophobicContact CG1-CG1 4.39Å; V73-V105 HydrophobicContact CG2-CG1 3.89Å; V73-F108 HydrophobicContact CG1-CD1 3.62Å; V73-F108 HydrophobicContact CG1-CE1 4.01Å; V73-L109 HydrophobicContact CG1-CD2 4.06Å; V73-L109 HydrophobicContact CG1-CG 4.44Å
74	K	93.3	Very high	92	Very high	84 Å²	84	45.8 Å²	45.8	37%	0.365	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-45.1	178.7	-175.1	-178.4	176.4	-170	0	112.1	Y70 E71 S72 A78 F108	Y70-K74 HydrophobicContact CE1-CD 4.24Å; Y70-K74 WeakPolarHBondContact O-CB 3.35Å; Y70-K74 PolarHBondContact O-N 2.74Å; E71-K74 PolarHBondContact O-N 2.89Å; S72-K74 VanDerWaalsContact C-N 3.32Å; S72-K74 PolarHBondContact O-N 2.85Å; K74-A78 WeakPolarHBondContact O-CB 3.41Å; K74-A78 PolarHBondContact O-N 3.45Å; K74-F108 HydrophobicContact CB-CE1 4.38Å; K74-F108 HydrophobicContact CB-CZ 4.07Å; K74-F108 HydrophobicContact CG-CE2 4.25Å; K74-F108 HydrophobicContact CG-CZ 3.95Å
75	L	91.4	Very high	91.7	Very high	52 Å²	52	47.1 Å²	47.1	27%	0.272	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.7	-75.9	175.8	0	0	0	112.2	I37 V40 I44 E71 S72 V73 A78 N79	I37-L75 HydrophobicContact CG2-CD1 3.74Å; V40-L75 HydrophobicContact CG1-CB 4.44Å; V40-L75 HydrophobicContact CG1-CD1 4.41Å; I44-L75 HydrophobicContact CD1-CB 4.33Å; E71-L75 WeakPolarHBondContact O-CG 3.45Å; E71-L75 PolarHBondContact O-N 3Å; S72-L75 PolarHBondContact O-N 3.48Å; V73-L75 PolarHBondContact O-N 3.11Å; L75-A78 PolarHBondContact O-N 2.88Å; L75-N79 PolarHBondContact O-N 2.93Å; L75-N79 VanDerWaalsContact O-N 3.17Å; L75-N79 PolarHBondContact O-ND2 3.17Å
76	L	92.4	Very high	91.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-49.5	179.3	-69.9	167.6	0	0	0	111	L28 V40 I50 A60 L61 A64 S72 V73 A78 N79 K80 A81	L28-L76 HydrophobicContact CD1-CD2 4.25Å; L28-L76 HydrophobicContact CD2-CD2 4.27Å; V40-L76 HydrophobicContact CG1-CD2 4.48Å; I50-L76 HydrophobicContact CG2-CD2 3.89Å; A60-L76 HydrophobicContact CB-CD1 4.05Å; A60-L76 HydrophobicContact CB-CD2 3.99Å; L61-L76 HydrophobicContact CB-CD1 4.35Å; L61-L76 HydrophobicContact CD1-CB 4.25Å; L61-L76 HydrophobicContact CD1-CD1 4.22Å; A64-L76 HydrophobicContact CB-CD1 3.95Å; S72-L76 WeakPolarHBondContact O-CB 3.38Å; S72-L76 WeakPolarHBondContact O-CD1 3.4Å; S72-L76 WeakPolarHBondContact O-CG 3.33Å; S72-L76 PolarHBondContact O-N 2.94Å; V73-L76 PolarHBondContact O-N 3.34Å; L76-A78 PolarHBondContact O-N 3.35Å; L76-N79 CarbonylContact O-C 3.41Å; L76-N79 PolarHBondContact O-N 3.28Å; L76-N79 VanDerWaalsContact O-N 3.12Å; L76-K80 PolarHBondContact O-N 2.81Å; L76-A81 VanDerWaalsContact C-CB 3.4Å; L76-A81 HydrophobicContact CB-CB 3.9Å; L76-A81 WeakPolarHBondContact O-CB 3.18Å; L76-A81 PolarHBondContact O-N 2.9Å
77	V	92.4	Very high	91.1	Very high	32 Å²	32	52.6 Å²	52.6	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-39.8	178.8	174.4	0	0	0	0	111.5	L61 V73 N79 K80 V83 F108	L61-V77 HydrophobicContact CD1-CG2 4.24Å; V73-V77 HydrophobicContact CG1-CG2 4.35Å; V73-V77 WeakPolarHBondContact O-CB 2.97Å; V73-V77 WeakPolarHBondContact O-CG2 3.47Å; V73-V77 PolarHBondContact O-N 3.38Å; V77-N79 PolarHBondContact O-N 2.88Å; V77-K80 PolarHBondContact O-N 3.13Å; V77-V83 HydrophobicContact CG2-CG1 3.79Å; V77-F108 HydrophobicContact CB-CE1 3.93Å; V77-F108 HydrophobicContact CB-CZ 4.49Å; V77-F108 HydrophobicContact CG1-CE1 4.18Å; V77-F108 HydrophobicContact CG2-CE1 4Å
78	A	91.1	Very high	90.9	Very high	78 Å²	78	52.5 Å²	52.5	65%	0.645	28%	0.275	S	S	*	.	H	α-helix	trans	-60.2	-29.4	175.4	0	0	0	0	0	112.8	K74 L75 L76 K80	K74-A78 WeakPolarHBondContact O-CB 3.41Å; K74-A78 PolarHBondContact O-N 3.45Å; L75-A78 PolarHBondContact O-N 2.88Å; L76-A78 PolarHBondContact O-N 3.35Å; A78-K80 VanDerWaalsContact C-N 3.32Å
79	N	89.8	Confident	90.7	Very high	68 Å²	68	56.1 Å²	56.1	36%	0.364	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	25.3	175.7	-69	-87	0	0	0	113	I44 I50 L75 L76 V77	I44-N79 HydrophobicContact CG2-CB 4.31Å; I44-N79 WeakPolarHBondContact CG2-OD1 3.43Å; I50-N79 HydrophobicContact CD1-CB 3.28Å; I50-N79 WeakPolarHBondContact CD1-O 3.43Å; L75-N79 PolarHBondContact O-N 2.93Å; L75-N79 VanDerWaalsContact O-N 3.17Å; L75-N79 PolarHBondContact O-ND2 3.17Å; L76-N79 CarbonylContact O-C 3.41Å; L76-N79 PolarHBondContact O-N 3.28Å; L76-N79 VanDerWaalsContact O-N 3.12Å; V77-N79 PolarHBondContact O-N 2.88Å
80	K	88.9	Confident	90.5	Very high	182 Å²	182	55.9 Å²	55.9	79%	0.791	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	33.6	175.9	-49	177.7	178.9	178	0	114.8	N51 L76 V77 A78 N82	N51-K80 PolarHBondContact ND2-O 2.96Å; L76-K80 PolarHBondContact O-N 2.81Å; V77-K80 PolarHBondContact O-N 3.13Å; A78-K80 VanDerWaalsContact C-N 3.32Å; K80-N82 PolarHBondContact O-N 3.31Å
81	A	89.5	Confident	90.5	Very high	11 Å²	11	53.6 Å²	53.6	9%	0.091	28%	0.282	C	S	.	.			trans	-60.6	132.2	163.4	0	0	0	0	0	110.3	I50 L61 L76 V83	I50-A81 HydrophobicContact CG2-CB 3.57Å; L61-A81 HydrophobicContact CD2-CB 4.29Å; L76-A81 VanDerWaalsContact C-CB 3.4Å; L76-A81 HydrophobicContact CB-CB 3.9Å; L76-A81 WeakPolarHBondContact O-CB 3.18Å; L76-A81 PolarHBondContact O-N 2.9Å; A81-V83 PolarHBondContact O-N 3.48Å
82	N	90.4	Very high	90.6	Very high	79 Å²	79	49.6 Å²	49.6	42%	0.422	26%	0.263	S	S	.	.			trans	-78.7	118.7	173.6	-179.6	-0.7	0	0	0	109.7	N51 K80 N84 I85	N51-N82 PolarHBondContact OD1-N 3.49Å; K80-N82 PolarHBondContact O-N 3.31Å; N82-N84 VanDerWaalsContact C-N 3.31Å; N82-N84 PolarHBondContact O-N 3.5Å; N82-N84 PolarHBondContact OD1-N 2.96Å; N82-I85 HydrophobicContact CB-CD1 3.78Å; N82-I85 HydrophobicContact CB-CG1 3.78Å
83	V	91.6	Very high	90.7	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.2	-176.3	-61.9	0	0	0	0	114.1	L61 V77 A81 L109 A114	L61-V83 HydrophobicContact CD2-CB 4.31Å; L61-V83 HydrophobicContact CD2-CG1 4.01Å; V77-V83 HydrophobicContact CG2-CG1 3.79Å; A81-V83 PolarHBondContact O-N 3.48Å; V83-L109 HydrophobicContact CB-CD2 4.44Å; V83-L109 HydrophobicContact CG1-CD2 4.18Å; V83-A114 HydrophobicContact CB-CB 4.46Å; V83-A114 HydrophobicContact CG2-CB 4.32Å
84	N	89.6	Confident	90.7	Very high	56 Å²	56	49.6 Å²	49.6	30%	0.299	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	11	-174.6	-67.9	-45.5	0	0	0	113.4	N82 G113 A114 D115	N82-N84 VanDerWaalsContact C-N 3.31Å; N82-N84 PolarHBondContact O-N 3.5Å; N82-N84 PolarHBondContact OD1-N 2.96Å; N84-G113 PolarHBondContact ND2-O 2.96Å; N84-A114 WeakPolarHBondContact OD1-CA 3.1Å; N84-D115 PolarHBondContact OD1-N 3.25Å
85	I	88.9	Confident	90.7	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.138	25%	0.246	C	C	.	.			trans	-64.9	139	170.9	-61.4	175.3	0	0	0	108.2	N51 T59 H62 N82 P93	N51-I85 HydrophobicContact CB-CD1 4.03Å; T59-I85 HydrophobicContact CG2-CB 4.29Å; T59-I85 HydrophobicContact CG2-CD1 3.78Å; T59-I85 HydrophobicContact CG2-CG2 3.81Å; H62-I85 PolarHBondContact CE1-O 2.75Å; H62-I85 VanDerWaalsContact CE1-O 3.24Å; H62-I85 PolarHBondContact NE2-O 3.2Å; N82-I85 HydrophobicContact CB-CD1 3.78Å; N82-I85 HydrophobicContact CB-CG1 3.78Å; I85-P93 WeakPolarHBondContact O-CD 3.5Å
86	W	88.4	Confident	90.7	Very high	152 Å²	152	44.5 Å²	44.5	58%	0.576	24%	0.24	S	C	*	.			trans	-114.4	150.8	173.1	50.6	67.7	0	0	0	110.7	T91 T92 H118	W86-T91 WeakPolarHBondContact CA-O 3.15Å; W86-T92 HydrophobicContact CB-CG2 4.12Å; W86-H118 AromaticContact CD2-CE1 3.86Å; W86-H118 AromaticContact CD2-NE2 3.89Å; W86-H118 AromaticContact CE3-CE1 3.05Å; W86-H118 AromaticContact CE3-ND1 3.85Å; W86-H118 AromaticContact CE3-NE2 3.42Å; W86-H118 AromaticContact CZ3-CE1 3.28Å; W86-H118 WeakPolarHBondContact CZ3-CE1 3.31Å; W86-H118 AromaticContact CZ3-ND1 3.89Å
87	D	88.3	Confident	90.8	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.043	24%	0.24	C	C	.	.			trans	-80	-177.7	174.7	76.6	3.2	0	0	0	113	G57 K58 N89 G90 T91	G57-D87 VanDerWaalsContact O-CA 3.28Å; G57-D87 WeakPolarHBondContact O-CA 3.14Å; K58-D87 WeakPolarHBondContact CE-OD2 3.37Å; K58-D87 HydrophobicContact CG-CB 3.67Å; K58-D87 IonicContact NZ-OD2 3.92Å; D87-N89 PolarHBondContact O-N 3.01Å; D87-N89 WeakPolarHBondContact OD1-CA 3.33Å; D87-N89 WeakPolarHBondContact OD1-CB 3.32Å; D87-N89 PolarHBondContact OD1-N 3.3Å; D87-G90 PolarHBondContact O-N 3.23Å; D87-G90 PolarHBondContact OD1-N 3.36Å; D87-T91 VanDerWaalsContact CG-CB 3.46Å; D87-T91 PolarHBondContact N-O 3.45Å; D87-T91 WeakPolarHBondContact OD1-CA 3.48Å; D87-T91 WeakPolarHBondContact OD1-CB 3.41Å; D87-T91 PolarHBondContact OD1-N 3.05Å; D87-T91 PolarHBondContact OD1-OG1 2.79Å; D87-T91 WeakPolarHBondContact OD2-CB 3.5Å; D87-T91 PolarHBondContact OD2-OG1 3.05Å
88	S	87.1	Confident	90.8	Very high	74 Å²	74	43 Å²	43	52%	0.517	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.3	178.8	64	0	0	0	0	113.7	F56 I121	F56-S88 PolarHBondContact O-N 3.03Å; F56-S88 PolarHBondContact O-OG 3.06Å; S88-I121 WeakPolarHBondContact O-CD1 3.27Å
89	N	87.3	Confident	90.9	Very high	98 Å²	98	46.1 Å²	46.1	52%	0.524	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	5.1	179.4	-63.7	11.8	0	0	0	111.7	D87 T91 C120 I121	D87-N89 PolarHBondContact O-N 3.01Å; D87-N89 WeakPolarHBondContact OD1-CA 3.33Å; D87-N89 WeakPolarHBondContact OD1-CB 3.32Å; D87-N89 PolarHBondContact OD1-N 3.3Å; N89-T91 PolarHBondContact O-N 3.4Å; N89-C120 WeakPolarHBondContact O-CB 3.26Å; N89-I121 WeakPolarHBondContact O-CG1 3.33Å; N89-I121 PolarHBondContact O-N 3.23Å
90	G	89.2	Confident	90.9	Very high	8 Å²	8	44.5 Å²	44.5	8%	0.082	23%	0.229	C	C	.	.	S	Bend	trans	73.2	14.9	-172.3	0	0	0	0	0	113	D87 C120	D87-G90 PolarHBondContact O-N 3.23Å; D87-G90 PolarHBondContact OD1-N 3.36Å; G90-C120 VanDerWaalsContact O-CA 3.3Å; G90-C120 WeakPolarHBondContact O-CA 3.38Å; G90-C120 WeakPolarHBondContact O-CB 3.49Å
91	T	92.7	Very high	91	Very high	21 Å²	21	38.8 Å²	38.8	13%	0.129	21%	0.207	C	C	.	.			trans	-84	121	-177.3	-42.1	0	0	0	0	109.1	H62 W86 D87 N89 H95 L96	H62-T91 PolarHBondContact CD2-O 2.92Å; H62-T91 PolarHBondContact NE2-O 3.44Å; W86-T91 WeakPolarHBondContact CA-O 3.15Å; D87-T91 VanDerWaalsContact CG-CB 3.46Å; D87-T91 PolarHBondContact N-O 3.45Å; D87-T91 WeakPolarHBondContact OD1-CA 3.48Å; D87-T91 WeakPolarHBondContact OD1-CB 3.41Å; D87-T91 PolarHBondContact OD1-N 3.05Å; D87-T91 PolarHBondContact OD1-OG1 2.79Å; D87-T91 WeakPolarHBondContact OD2-CB 3.5Å; D87-T91 PolarHBondContact OD2-OG1 3.05Å; N89-T91 PolarHBondContact O-N 3.4Å; T91-H95 HydrophobicContact CG2-CB 3.46Å; T91-H95 VanDerWaalsContact CG2-CB 3.46Å; T91-L96 HydrophobicContact CG2-CD2 3.82Å; T91-L96 HydrophobicContact CG2-CG 3.87Å
92	T	93.6	Very high	91.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	21%	0.214	C	C	.	.			trans	-87.2	165.3	172.9	67.4	0	0	0	0	111.5	W86 L94 H95 L96 H118	W86-T92 HydrophobicContact CB-CG2 4.12Å; T92-L94 PolarHBondContact O-N 3.21Å; T92-L94 VanDerWaalsContact O-N 3.13Å; T92-H95 PolarHBondContact N-ND1 3.47Å; T92-H95 WeakPolarHBondContact O-CB 3.46Å; T92-H95 PolarHBondContact O-N 3.08Å; T92-H95 PolarHBondContact OG1-ND1 3.03Å; T92-L96 PolarHBondContact O-N 2.97Å; T92-H118 HydrophobicContact CG2-CB 4.23Å; T92-H118 WeakPolarHBondContact CG2-CD2 3.32Å
93	P	94.3	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-54.2	-32.8	172.5	-27.1	34	0	0	0	112.9	L61 H62 A65 I85 L96 A97 L109	L61-P93 HydrophobicContact CB-CG 4.33Å; L61-P93 HydrophobicContact CD2-CB 4.29Å; L61-P93 HydrophobicContact CD2-CG 3.91Å; L61-P93 HydrophobicContact CG-CB 4.01Å; L61-P93 HydrophobicContact CG-CG 3.9Å; H62-P93 WeakPolarHBondContact NE2-CD 3.16Å; A65-P93 HydrophobicContact CB-CB 3.93Å; A65-P93 WeakPolarHBondContact CB-O 3.32Å; I85-P93 WeakPolarHBondContact O-CD 3.5Å; P93-L96 PolarHBondContact O-N 3.25Å; P93-A97 PolarHBondContact O-N 3.41Å; P93-L109 HydrophobicContact CB-CD1 4.14Å; P93-L109 HydrophobicContact CB-CD2 4.47Å
94	L	94	Very high	91.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-39.5	177.8	-171.9	62.6	0	0	0	112.2	T92 L96 A97 A98 V106 L109 L110 A114 D115 I116 P126 L140	T92-L94 PolarHBondContact O-N 3.21Å; T92-L94 VanDerWaalsContact O-N 3.13Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.01Å; L94-A97 PolarHBondContact O-N 2.92Å; L94-A98 VanDerWaalsContact O-CB 3.26Å; L94-A98 WeakPolarHBondContact O-CB 3.34Å; L94-A98 PolarHBondContact O-N 3.19Å; L94-V106 HydrophobicContact CD1-CB 4.44Å; L94-V106 HydrophobicContact CD1-CG1 4.01Å; L94-V106 HydrophobicContact CD1-CG2 4.46Å; L94-L109 HydrophobicContact CB-CD1 4.5Å; L94-L109 HydrophobicContact CD1-CB 4.09Å; L94-L109 HydrophobicContact CD1-CD1 4.33Å; L94-L110 HydrophobicContact CD1-CD2 4.13Å; L94-L110 HydrophobicContact CD1-CG 4.25Å; L94-L110 HydrophobicContact CD2-CD2 3.75Å; L94-A114 HydrophobicContact CB-CB 4.41Å; L94-A114 HydrophobicContact CD2-CB 4.15Å; L94-D115 WeakPolarHBondContact CD2-O 3.21Å; L94-I116 HydrophobicContact CD2-CG1 4.45Å; L94-P126 HydrophobicContact CB-CG 4.42Å; L94-P126 HydrophobicContact CD2-CB 4.13Å; L94-P126 HydrophobicContact CD2-CG 3.96Å; L94-P126 HydrophobicContact CG-CB 3.91Å; L94-P126 HydrophobicContact CG-CG 4.08Å; L94-L140 HydrophobicContact CD1-CD2 4.38Å; L94-L140 HydrophobicContact CD2-CD2 4.49Å
95	H	93.3	Very high	91.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-43.7	174.1	-72.1	87.2	0	0	0	111.6	T91 T92 A98 K99 H118 V124 P126 L129	T91-H95 HydrophobicContact CG2-CB 3.46Å; T91-H95 VanDerWaalsContact CG2-CB 3.46Å; T92-H95 PolarHBondContact N-ND1 3.47Å; T92-H95 WeakPolarHBondContact O-CB 3.46Å; T92-H95 PolarHBondContact O-N 3.08Å; T92-H95 PolarHBondContact OG1-ND1 3.03Å; H95-A98 PolarHBondContact O-N 3.06Å; H95-K99 WeakPolarHBondContact O-CB 3.32Å; H95-K99 PolarHBondContact O-N 3.03Å; H95-H118 AromaticContact CE1-CD2 3.97Å; H95-H118 PolarHBondContact CE1-O 3.17Å; H95-H118 PolarHBondContact NE2-O 3.36Å; H95-V124 PolarHBondContact NE2-O 3.33Å; H95-P126 WeakPolarHBondContact NE2-CD 3.29Å; H95-L129 HydrophobicContact CB-CD1 3.76Å; H95-L129 WeakPolarHBondContact O-CD1 3.41Å
96	L	93.1	Very high	91.5	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.141	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-41.8	-179.9	-64.4	176.5	0	0	0	112	H62 A66 T91 T92 P93 L94 A98 K99 G100	H62-L96 HydrophobicContact CB-CD1 3.7Å; H62-L96 WeakPolarHBondContact O-CD1 3.47Å; A66-L96 HydrophobicContact CB-CB 4.06Å; A66-L96 HydrophobicContact CB-CD1 4.26Å; T91-L96 HydrophobicContact CG2-CD2 3.82Å; T91-L96 HydrophobicContact CG2-CG 3.87Å; T92-L96 PolarHBondContact O-N 2.97Å; P93-L96 PolarHBondContact O-N 3.25Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.01Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 2.9Å; L96-K99 PolarHBondContact O-N 3.15Å; L96-G100 PolarHBondContact O-N 3.32Å
97	A	94.2	Very high	91.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-39.7	174.4	0	0	0	0	0	111.9	A65 P93 L94 G100 N101 H102 V105 V106 L109	A65-A97 HydrophobicContact CB-CB 4.22Å; P93-A97 PolarHBondContact O-N 3.41Å; L94-A97 PolarHBondContact O-N 2.92Å; A97-G100 PolarHBondContact O-N 3.07Å; A97-N101 PolarHBondContact O-N 3.26Å; A97-H102 PolarHBondContact O-N 3Å; A97-V105 HydrophobicContact CB-CB 4.32Å; A97-V105 HydrophobicContact CB-CG1 3.83Å; A97-V106 HydrophobicContact CB-CG2 3.64Å; A97-L109 HydrophobicContact CB-CD1 4.02Å
98	A	92.6	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-46.3	178.1	0	0	0	0	0	112.2	L94 H95 L96 G100 N101 P126 A130 T136 L140	L94-A98 VanDerWaalsContact O-CB 3.26Å; L94-A98 WeakPolarHBondContact O-CB 3.34Å; L94-A98 PolarHBondContact O-N 3.19Å; H95-A98 PolarHBondContact O-N 3.06Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 2.9Å; A98-G100 VanDerWaalsContact C-N 3.29Å; A98-G100 PolarHBondContact O-N 2.93Å; A98-N101 PolarHBondContact O-N 3.47Å; A98-N101 VanDerWaalsContact O-N 3.16Å; A98-P126 HydrophobicContact CB-CB 4.3Å; A98-P126 WeakPolarHBondContact CB-O 3.36Å; A98-A130 HydrophobicContact CB-CB 4.45Å; A98-T136 HydrophobicContact CB-CG2 4.37Å; A98-L140 HydrophobicContact CB-CD1 3.8Å
99	K	91.6	Very high	91.9	Very high	145 Å²	145	37.4 Å²	37.4	63%	0.63	18%	0.182	S	C	*	.	H	α-helix	trans	-59.9	-39	175.5	-174.2	179.4	179.8	179.3	0	112.3	H95 L96 N101 L129	H95-K99 WeakPolarHBondContact O-CB 3.32Å; H95-K99 PolarHBondContact O-N 3.03Å; L96-K99 PolarHBondContact O-N 3.15Å; K99-N101 VanDerWaalsContact C-N 3.27Å; K99-N101 PolarHBondContact O-N 3.3Å; K99-L129 HydrophobicContact CB-CB 4.29Å; K99-L129 HydrophobicContact CB-CD1 4.35Å
100	G	90.6	Very high	92	Very high	33 Å²	33	33.1 Å²	33.1	34%	0.34	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.9	178.9	0	0	0	0	0	115.3	L96 A97 A98 H102	L96-G100 PolarHBondContact O-N 3.32Å; A97-G100 PolarHBondContact O-N 3.07Å; A98-G100 VanDerWaalsContact C-N 3.29Å; A98-G100 PolarHBondContact O-N 2.93Å; G100-H102 VanDerWaalsContact C-N 3.25Å; G100-H102 PolarHBondContact O-CE1 3.32Å; G100-H102 PolarHBondContact O-N 2.95Å
101	N	90.9	Very high	91.8	Very high	62 Å²	62	35.9 Å²	35.9	33%	0.332	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	35.1	-173	-166.7	27.2	0	0	0	113.8	A97 A98 K99 T103 N133 T136	A97-N101 PolarHBondContact O-N 3.26Å; A98-N101 PolarHBondContact O-N 3.47Å; A98-N101 VanDerWaalsContact O-N 3.16Å; K99-N101 VanDerWaalsContact C-N 3.27Å; K99-N101 PolarHBondContact O-N 3.3Å; N101-T103 VanDerWaalsContact C-N 3.3Å; N101-T103 PolarHBondContact O-N 3.43Å; N101-N133 HydrophobicContact CB-CB 4.16Å; N101-N133 WeakPolarHBondContact OD1-CB 3.3Å; N101-T136 WeakPolarHBondContact OD1-CB 3.47Å; N101-T136 PolarHBondContact OD1-OG1 3.04Å
102	H	93.1	Very high	91.5	Very high	51 Å²	51	36.8 Å²	36.8	24%	0.236	18%	0.178	C	C	.	.			trans	-88	68	-176.6	-62.7	-53.8	0	0	0	111.1	A65 A66 G68 A97 G100 R104 V105 V106	A65-H102 PolarHBondContact O-CD2 2.97Å; A65-H102 VanDerWaalsContact O-CD2 3.25Å; A66-H102 PolarHBondContact O-NE2 3.4Å; G68-H102 WeakPolarHBondContact CA-CD2 3.49Å; G68-H102 WeakPolarHBondContact CA-ND1 3.35Å; G68-H102 PolarHBondContact N-CD2 3.43Å; G68-H102 PolarHBondContact N-NE2 2.98Å; A97-H102 PolarHBondContact O-N 3Å; G100-H102 VanDerWaalsContact C-N 3.25Å; G100-H102 PolarHBondContact O-CE1 3.32Å; G100-H102 PolarHBondContact O-N 2.95Å; H102-R104 PolarHBondContact O-N 2.85Å; H102-V105 HydrophobicContact CB-CB 3.97Å; H102-V105 HydrophobicContact CB-CG2 4.17Å; H102-V105 WeakPolarHBondContact O-CA 3.4Å; H102-V105 PolarHBondContact O-N 3.28Å; H102-V106 PolarHBondContact O-N 3.38Å
103	T	90.4	Very high	91.1	Very high	20 Å²	20	39 Å²	39	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-48.5	-40.5	-173	-48	0	0	0	0	113.4	N101 K107 E135 T136 V139	N101-T103 VanDerWaalsContact C-N 3.3Å; N101-T103 PolarHBondContact O-N 3.43Å; T103-K107 WeakPolarHBondContact O-CG 3.41Å; T103-K107 PolarHBondContact O-N 3.46Å; T103-E135 HydrophobicContact CG2-CB 4.5Å; T103-T136 PolarHBondContact OG1-OG1 3.24Å; T103-T136 VanDerWaalsContact OG1-OG1 3.12Å; T103-V139 HydrophobicContact CG2-CG2 3.77Å
104	R	90.9	Very high	90.8	Very high	204 Å²	204	39.4 Å²	39.4	77%	0.77	20%	0.204	S	C	*	.	H	α-helix	trans	-66.8	-42.1	178.6	-68.2	-175.5	-178.5	177.2	1.2	112.5	Y70 H102 F108	Y70-R104 HydrophobicContact CD2-CB 4.38Å; H102-R104 PolarHBondContact O-N 2.85Å; R104-F108 PolarHBondContact O-N 2.9Å; R104-F108 VanDerWaalsContact O-N 3.16Å
105	V	93.2	Very high	90.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-69.3	-43.3	177.9	175	0	0	0	0	110.6	A65 V73 A97 H102 K107 F108 L109	A65-V105 HydrophobicContact CB-CG1 4.31Å; V73-V105 HydrophobicContact CG1-CG1 4.39Å; V73-V105 HydrophobicContact CG2-CG1 3.89Å; A97-V105 HydrophobicContact CB-CB 4.32Å; A97-V105 HydrophobicContact CB-CG1 3.83Å; H102-V105 HydrophobicContact CB-CB 3.97Å; H102-V105 HydrophobicContact CB-CG2 4.17Å; H102-V105 WeakPolarHBondContact O-CA 3.4Å; H102-V105 PolarHBondContact O-N 3.28Å; V105-K107 PolarHBondContact O-N 3.46Å; V105-F108 PolarHBondContact O-N 3.14Å; V105-F108 VanDerWaalsContact O-N 3.14Å; V105-L109 HydrophobicContact CG1-CD1 3.83Å; V105-L109 HydrophobicContact CG1-CG 4.14Å; V105-L109 WeakPolarHBondContact O-CG 3.3Å; V105-L109 PolarHBondContact O-N 3.42Å
106	V	92.5	Very high	90.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.3	-52.6	175.7	170.6	0	0	0	0	110.3	L94 A97 H102 F108 L109 L110 T136 V139 L140	L94-V106 HydrophobicContact CD1-CB 4.44Å; L94-V106 HydrophobicContact CD1-CG1 4.01Å; L94-V106 HydrophobicContact CD1-CG2 4.46Å; A97-V106 HydrophobicContact CB-CG2 3.64Å; H102-V106 PolarHBondContact O-N 3.38Å; V106-F108 VanDerWaalsContact C-N 3.28Å; V106-F108 PolarHBondContact O-N 3.49Å; V106-L109 PolarHBondContact O-N 3.34Å; V106-L110 HydrophobicContact CG1-CD1 3.91Å; V106-L110 HydrophobicContact CG1-CG 4.38Å; V106-L110 WeakPolarHBondContact O-CG 3.39Å; V106-L110 PolarHBondContact O-N 2.96Å; V106-T136 HydrophobicContact CG1-CG2 4.48Å; V106-T136 HydrophobicContact CG2-CG2 3.92Å; V106-V139 HydrophobicContact CG1-CG1 4.17Å; V106-L140 HydrophobicContact CG1-CD2 3.75Å; V106-L140 HydrophobicContact CG1-CG 3.96Å
107	K	90.8	Very high	89.6	Confident	91 Å²	91	47.3 Å²	47.3	40%	0.396	25%	0.247	S	C	.	.	H	α-helix	trans	-53.7	-46.5	176.3	-73.1	177.6	-178	-178.6	0	111.8	T103 V105 L110 M111 V139 P149	T103-K107 WeakPolarHBondContact O-CG 3.41Å; T103-K107 PolarHBondContact O-N 3.46Å; V105-K107 PolarHBondContact O-N 3.46Å; K107-L110 PolarHBondContact O-N 3.48Å; K107-M111 WeakPolarHBondContact O-CB 3.44Å; K107-M111 WeakPolarHBondContact O-CG 3.36Å; K107-M111 PolarHBondContact O-N 3.08Å; K107-V139 VanDerWaalsContact CE-CG2 3.44Å; K107-V139 HydrophobicContact CG-CG1 3.66Å; K107-V139 HydrophobicContact CG-CG2 4.41Å; K107-P149 HydrophobicContact CB-CG 4.39Å; K107-P149 HydrophobicContact CG-CB 4.45Å; K107-P149 HydrophobicContact CG-CG 4.41Å
108	F	90.6	Very high	89.2	Confident	21 Å²	21	49 Å²	49	9%	0.092	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-41.2	-178.5	-171.3	-94.2	0	0	0	113.4	Y70 V73 K74 V77 R104 V105 V106 M111 S112 L154	Y70-F108 HydrophobicContact CD2-CB 4.29Å; Y70-F108 HydrophobicContact CE2-CB 3.82Å; Y70-F108 AromaticContact CE2-CD2 3.73Å; Y70-F108 HydrophobicContact CE2-CD2 3.73Å; Y70-F108 AromaticContact CE2-CG 3.88Å; Y70-F108 HydrophobicContact CE2-CG 3.88Å; V73-F108 HydrophobicContact CG1-CD1 3.62Å; V73-F108 HydrophobicContact CG1-CE1 4.01Å; K74-F108 HydrophobicContact CB-CE1 4.38Å; K74-F108 HydrophobicContact CB-CZ 4.07Å; K74-F108 HydrophobicContact CG-CE2 4.25Å; K74-F108 HydrophobicContact CG-CZ 3.95Å; V77-F108 HydrophobicContact CB-CE1 3.93Å; V77-F108 HydrophobicContact CB-CZ 4.49Å; V77-F108 HydrophobicContact CG1-CE1 4.18Å; V77-F108 HydrophobicContact CG2-CE1 4Å; R104-F108 PolarHBondContact O-N 2.9Å; R104-F108 VanDerWaalsContact O-N 3.16Å; V105-F108 PolarHBondContact O-N 3.14Å; V105-F108 VanDerWaalsContact O-N 3.14Å; V106-F108 VanDerWaalsContact C-N 3.28Å; V106-F108 PolarHBondContact O-N 3.49Å; F108-M111 PolarHBondContact O-N 2.87Å; F108-S112 WeakPolarHBondContact O-CB 3.37Å; F108-S112 PolarHBondContact O-N 2.93Å; F108-S112 PolarHBondContact O-OG 3.39Å; F108-L154 HydrophobicContact CD2-CD1 4.39Å; F108-L154 HydrophobicContact CE2-CD1 4.3Å
109	L	91.3	Very high	88.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-44.2	176	-73.4	173.9	0	0	0	111.1	L61 A65 V73 V83 P93 L94 A97 V105 V106 M111 S112 G113 A114	L61-L109 HydrophobicContact CD1-CD2 4.38Å; L61-L109 HydrophobicContact CD2-CD2 4.35Å; A65-L109 HydrophobicContact CB-CD1 4.3Å; V73-L109 HydrophobicContact CG1-CD2 4.06Å; V73-L109 HydrophobicContact CG1-CG 4.44Å; V83-L109 HydrophobicContact CB-CD2 4.44Å; V83-L109 HydrophobicContact CG1-CD2 4.18Å; P93-L109 HydrophobicContact CB-CD1 4.14Å; P93-L109 HydrophobicContact CB-CD2 4.47Å; L94-L109 HydrophobicContact CB-CD1 4.5Å; L94-L109 HydrophobicContact CD1-CB 4.09Å; L94-L109 HydrophobicContact CD1-CD1 4.33Å; A97-L109 HydrophobicContact CB-CD1 4.02Å; V105-L109 HydrophobicContact CG1-CD1 3.83Å; V105-L109 HydrophobicContact CG1-CG 4.14Å; V105-L109 WeakPolarHBondContact O-CG 3.3Å; V105-L109 PolarHBondContact O-N 3.42Å; V106-L109 PolarHBondContact O-N 3.34Å; L109-M111 VanDerWaalsContact C-N 3.32Å; L109-M111 PolarHBondContact O-N 3.39Å; L109-S112 CarbonylContact O-C 3.39Å; L109-S112 WeakPolarHBondContact O-CA 3.46Å; L109-S112 WeakPolarHBondContact O-CB 3.37Å; L109-S112 PolarHBondContact O-N 3.49Å; L109-G113 PolarHBondContact O-N 3.49Å; L109-A114 HydrophobicContact CB-CB 3.98Å; L109-A114 WeakPolarHBondContact O-CB 3.48Å; L109-A114 PolarHBondContact O-N 3.38Å
110	L	89.4	Confident	88.7	Confident	7 Å²	7	48 Å²	48	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-44	174.7	-65.6	174	0	0	0	111.8	L94 V106 K107 S112 G113 I116 V139 L140 A143 L148 P149	L94-L110 HydrophobicContact CD1-CD2 4.13Å; L94-L110 HydrophobicContact CD1-CG 4.25Å; L94-L110 HydrophobicContact CD2-CD2 3.75Å; V106-L110 HydrophobicContact CG1-CD1 3.91Å; V106-L110 HydrophobicContact CG1-CG 4.38Å; V106-L110 WeakPolarHBondContact O-CG 3.39Å; V106-L110 PolarHBondContact O-N 2.96Å; K107-L110 PolarHBondContact O-N 3.48Å; L110-S112 PolarHBondContact O-N 3.41Å; L110-G113 PolarHBondContact O-N 3.02Å; L110-G113 VanDerWaalsContact O-N 3.11Å; L110-I116 HydrophobicContact CD2-CD1 3.76Å; L110-I116 HydrophobicContact CD2-CG1 3.22Å; L110-V139 HydrophobicContact CD1-CG1 4.11Å; L110-L140 HydrophobicContact CD1-CD2 4.24Å; L110-L140 HydrophobicContact CD2-CD2 4.43Å; L110-A143 HydrophobicContact CD1-CB 3.73Å; L110-L148 HydrophobicContact CB-CD2 4.3Å; L110-P149 HydrophobicContact CB-CG 4.45Å
111	M	85.5	Confident	88.5	Confident	67 Å²	67	52.8 Å²	52.8	33%	0.33	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-26.6	174.8	-69	172.9	71.4	0	0	112.8	K107 F108 L109 G113 P149 I151 L154	K107-M111 WeakPolarHBondContact O-CB 3.44Å; K107-M111 WeakPolarHBondContact O-CG 3.36Å; K107-M111 PolarHBondContact O-N 3.08Å; F108-M111 PolarHBondContact O-N 2.87Å; L109-M111 VanDerWaalsContact C-N 3.32Å; L109-M111 PolarHBondContact O-N 3.39Å; M111-G113 VanDerWaalsContact C-N 3.25Å; M111-G113 PolarHBondContact O-N 3.28Å; M111-P149 HydrophobicContact CG-CG 4.06Å; M111-I151 HydrophobicContact CE-CB 4.22Å; M111-I151 HydrophobicContact CE-CG2 3.63Å; M111-L154 HydrophobicContact CE-CB 4.36Å; M111-L154 HydrophobicContact CE-CD1 3.67Å; M111-L154 HydrophobicContact SD-CD1 4.48Å
112	S	86.3	Confident	88.3	Confident	39 Å²	39	54.4 Å²	54.4	27%	0.273	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.2	177.7	-54	0	0	0	0	113	F108 L109 L110	F108-S112 WeakPolarHBondContact O-CB 3.37Å; F108-S112 PolarHBondContact O-N 2.93Å; F108-S112 PolarHBondContact O-OG 3.39Å; L109-S112 CarbonylContact O-C 3.39Å; L109-S112 WeakPolarHBondContact O-CA 3.46Å; L109-S112 WeakPolarHBondContact O-CB 3.37Å; L109-S112 PolarHBondContact O-N 3.49Å; L110-S112 PolarHBondContact O-N 3.41Å
113	G	85.3	Confident	88	Confident	48 Å²	48	54.1 Å²	54.1	50%	0.495	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	27.2	179.9	0	0	0	0	0	114.3	N84 L109 L110 M111	N84-G113 PolarHBondContact ND2-O 2.96Å; L109-G113 PolarHBondContact O-N 3.49Å; L110-G113 PolarHBondContact O-N 3.02Å; L110-G113 VanDerWaalsContact O-N 3.11Å; M111-G113 VanDerWaalsContact C-N 3.25Å; M111-G113 PolarHBondContact O-N 3.28Å
114	A	88.2	Confident	88	Confident	9 Å²	9	55.1 Å²	55.1	7%	0.074	30%	0.302	C	S	.	.			trans	-66.5	135.5	171.6	0	0	0	0	0	111.2	V83 N84 L94 L109 I116	V83-A114 HydrophobicContact CB-CB 4.46Å; V83-A114 HydrophobicContact CG2-CB 4.32Å; N84-A114 WeakPolarHBondContact OD1-CA 3.1Å; L94-A114 HydrophobicContact CB-CB 4.41Å; L94-A114 HydrophobicContact CD2-CB 4.15Å; L109-A114 HydrophobicContact CB-CB 3.98Å; L109-A114 WeakPolarHBondContact O-CB 3.48Å; L109-A114 PolarHBondContact O-N 3.38Å; A114-I116 PolarHBondContact O-N 3.45Å
115	D	87	Confident	88	Confident	70 Å²	70	48.2 Å²	48.2	37%	0.374	28%	0.278	S	S	.	.			trans	-74.4	118	177.7	-174.6	7	0	0	0	111.3	N84 L94 N117 H118	N84-D115 PolarHBondContact OD1-N 3.25Å; L94-D115 WeakPolarHBondContact CD2-O 3.21Å; D115-N117 PolarHBondContact OD1-N 3.21Å; D115-H118 HydrophobicContact CB-CB 4.27Å
116	I	85.3	Confident	87.7	Confident	19 Å²	19	48.2 Å²	48.2	10%	0.097	28%	0.278	C	S	.	.	S	Bend	trans	-75.5	-28.1	178.5	-59	158.7	0	0	0	111.3	L94 L110 A114 P126 A143 A144 L148	L94-I116 HydrophobicContact CD2-CG1 4.45Å; L110-I116 HydrophobicContact CD2-CD1 3.76Å; L110-I116 HydrophobicContact CD2-CG1 3.22Å; A114-I116 PolarHBondContact O-N 3.45Å; I116-P126 VanDerWaalsContact O-CD 3.31Å; I116-P126 WeakPolarHBondContact O-CD 3.15Å; I116-A143 HydrophobicContact CD1-CB 3.62Å; I116-A144 HydrophobicContact CG2-CB 4.29Å; I116-L148 HydrophobicContact CD1-CD2 4.27Å
117	N	82.1	Confident	87.4	Confident	107 Å²	107	49.3 Å²	49.3	57%	0.572	28%	0.283	S	S	*	.	S	Bend	trans	-93.2	-8.3	-170.8	-66.7	-46.7	0	0	0	113.2	D115 E119 K125	D115-N117 PolarHBondContact OD1-N 3.21Å; N117-E119 PolarHBondContact O-N 3.29Å; N117-K125 PolarHBondContact O-NZ 3.12Å
118	H	84.7	Confident	87.3	Confident	35 Å²	35	48 Å²	48	16%	0.162	28%	0.281	C	S	.	.			trans	-55.9	131.2	178	-164.4	77.3	0	0	0	110.1	W86 T92 H95 D115 P126	W86-H118 AromaticContact CD2-CE1 3.86Å; W86-H118 AromaticContact CD2-NE2 3.89Å; W86-H118 AromaticContact CE3-CE1 3.05Å; W86-H118 AromaticContact CE3-ND1 3.85Å; W86-H118 AromaticContact CE3-NE2 3.42Å; W86-H118 AromaticContact CZ3-CE1 3.28Å; W86-H118 WeakPolarHBondContact CZ3-CE1 3.31Å; W86-H118 AromaticContact CZ3-ND1 3.89Å; T92-H118 HydrophobicContact CG2-CB 4.23Å; T92-H118 WeakPolarHBondContact CG2-CD2 3.32Å; H95-H118 AromaticContact CE1-CD2 3.97Å; H95-H118 PolarHBondContact CE1-O 3.17Å; H95-H118 PolarHBondContact NE2-O 3.36Å; D115-H118 HydrophobicContact CB-CB 4.27Å; H118-P126 VanDerWaalsContact O-CD 3.27Å; H118-P126 WeakPolarHBondContact O-CD 3.42Å
119	E	87.2	Confident	87.1	Confident	110 Å²	110	49.6 Å²	49.6	51%	0.514	29%	0.29	S	S	.	.			trans	-110.2	134.1	177.5	58.4	-163	-158.9	0	0	109.3	N117 V124 K125	N117-E119 PolarHBondContact O-N 3.29Å; E119-V124 WeakPolarHBondContact CA-O 3.35Å; E119-K125 HydrophobicContact CB-CG 4.31Å; E119-K125 IonicContact OE2-NZ 2.88Å; E119-K125 PolarHBondContact OE2-NZ 3.16Å
120	C	86.9	Confident	87	Confident	15 Å²	15	49.6 Å²	49.6	10%	0.101	29%	0.29	C	S	.	.			trans	-70.4	174.3	171	71.2	0	0	0	0	110.5	N89 G90 S122 G123 V124	N89-C120 WeakPolarHBondContact O-CB 3.26Å; G90-C120 VanDerWaalsContact O-CA 3.3Å; G90-C120 WeakPolarHBondContact O-CA 3.38Å; G90-C120 WeakPolarHBondContact O-CB 3.49Å; C120-S122 PolarHBondContact O-N 3.46Å; C120-S122 PolarHBondContact SG-OG 2.96Å; C120-G123 WeakPolarHBondContact O-CA 3.49Å; C120-G123 PolarHBondContact O-N 3.46Å; C120-V124 PolarHBondContact N-O 3.5Å; C120-V124 PolarHBondContact SG-O 2.88Å; C120-V124 VanDerWaalsContact SG-O 3.39Å
121	I	87.8	Confident	86.8	Confident	133 Å²	133	53.8 Å²	53.8	68%	0.682	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.3	-176.1	-65.7	175.5	0	0	0	112.4	S88 N89 G123	S88-I121 WeakPolarHBondContact O-CD1 3.27Å; N89-I121 WeakPolarHBondContact O-CG1 3.33Å; N89-I121 PolarHBondContact O-N 3.23Å; I121-G123 PolarHBondContact O-N 3.44Å
122	S	85.8	Confident	86.7	Confident	96 Å²	96	60.9 Å²	60.9	67%	0.671	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	5.4	174.8	58.8	0	0	0	0	114.4	C120 V124	C120-S122 PolarHBondContact O-N 3.46Å; C120-S122 PolarHBondContact SG-OG 2.96Å; S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 2.92Å; S122-V124 WeakPolarHBondContact OG-CG2 3.48Å
123	G	87.2	Confident	86.7	Confident	44 Å²	44	60.7 Å²	60.7	45%	0.454	33%	0.332	S	S	.	.	S	Bend	trans	74.1	17.6	-178.1	0	0	0	0	0	114.3	C120 I121	C120-G123 WeakPolarHBondContact O-CA 3.49Å; C120-G123 PolarHBondContact O-N 3.46Å; I121-G123 PolarHBondContact O-N 3.44Å
124	V	89.9	Confident	86.5	Confident	41 Å²	41	62 Å²	62	25%	0.248	33%	0.334	C	S	.	.			trans	-95.6	130.6	-176.8	-178.5	0	0	0	0	108.7	H95 E119 C120 S122 D128 L129	H95-V124 PolarHBondContact NE2-O 3.33Å; E119-V124 WeakPolarHBondContact CA-O 3.35Å; C120-V124 PolarHBondContact N-O 3.5Å; C120-V124 PolarHBondContact SG-O 2.88Å; C120-V124 VanDerWaalsContact SG-O 3.39Å; S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 2.92Å; S122-V124 WeakPolarHBondContact OG-CG2 3.48Å; V124-D128 HydrophobicContact CG1-CB 3.71Å; V124-L129 HydrophobicContact CG1-CD2 3.75Å; V124-L129 HydrophobicContact CG1-CG 3.77Å
125	K	90.1	Very high	86.5	Confident	60 Å²	60	67.7 Å²	67.7	26%	0.261	36%	0.359	S	S	.	.			trans	-90.9	163.3	175.1	-61.7	-171.8	-172.8	-54.5	0	110.9	N117 E119 I127 D128 L129	N117-K125 PolarHBondContact O-NZ 3.12Å; E119-K125 HydrophobicContact CB-CG 4.31Å; E119-K125 IonicContact OE2-NZ 2.88Å; E119-K125 PolarHBondContact OE2-NZ 3.16Å; K125-I127 HydrophobicContact CB-CG2 4.05Å; K125-I127 PolarHBondContact O-N 3.4Å; K125-D128 WeakPolarHBondContact CB-OD2 3.37Å; K125-D128 PolarHBondContact N-OD2 3.28Å; K125-D128 WeakPolarHBondContact O-CB 3.37Å; K125-D128 PolarHBondContact O-N 3.28Å; K125-D128 VanDerWaalsContact O-N 3.08Å; K125-L129 PolarHBondContact O-N 3.13Å
126	P	87.3	Confident	86.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.7	176.1	-22.8	31	0	0	0	112.5	L94 H95 A98 I116 H118 L129	L94-P126 HydrophobicContact CB-CG 4.42Å; L94-P126 HydrophobicContact CD2-CB 4.13Å; L94-P126 HydrophobicContact CD2-CG 3.96Å; L94-P126 HydrophobicContact CG-CB 3.91Å; L94-P126 HydrophobicContact CG-CG 4.08Å; H95-P126 WeakPolarHBondContact NE2-CD 3.29Å; A98-P126 HydrophobicContact CB-CB 4.3Å; A98-P126 WeakPolarHBondContact CB-O 3.36Å; I116-P126 VanDerWaalsContact O-CD 3.31Å; I116-P126 WeakPolarHBondContact O-CD 3.15Å; H118-P126 VanDerWaalsContact O-CD 3.27Å; H118-P126 WeakPolarHBondContact O-CD 3.42Å; P126-L129 PolarHBondContact O-N 2.82Å
127	I	87.1	Confident	86.8	Confident	23 Å²	23	67.3 Å²	67.3	12%	0.118	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-40.4	178.2	-164.4	166.8	0	0	0	111.6	K125 L129 A130 W137 L140 L141	K125-I127 HydrophobicContact CB-CG2 4.05Å; K125-I127 PolarHBondContact O-N 3.4Å; I127-L129 VanDerWaalsContact C-N 3.27Å; I127-L129 PolarHBondContact O-N 3.32Å; I127-A130 WeakPolarHBondContact O-CA 3.32Å; I127-A130 WeakPolarHBondContact O-CB 3.32Å; I127-A130 PolarHBondContact O-N 3.48Å; I127-W137 HydrophobicContact CB-CZ3 4.38Å; I127-W137 HydrophobicContact CD1-CH2 4.26Å; I127-W137 HydrophobicContact CD1-CZ3 4.28Å; I127-W137 HydrophobicContact CG1-CD2 4.28Å; I127-W137 HydrophobicContact CG1-CE3 3.64Å; I127-W137 HydrophobicContact CG1-CH2 3.91Å; I127-W137 HydrophobicContact CG1-CZ2 4.5Å; I127-W137 HydrophobicContact CG1-CZ3 3.45Å; I127-W137 VanDerWaalsContact CG1-CZ3 3.45Å; I127-W137 WeakPolarHBondContact O-CZ3 3.32Å; I127-L140 HydrophobicContact CB-CB 4.2Å; I127-L140 HydrophobicContact CD1-CB 4.22Å; I127-L140 HydrophobicContact CG1-CB 3.92Å; I127-L141 HydrophobicContact CD1-CB 4.18Å; I127-L141 HydrophobicContact CD1-CD1 4.21Å
128	D	88	Confident	87	Confident	65 Å²	65	67.8 Å²	67.8	35%	0.348	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-64.7	-32.7	-179.7	-57.8	-40.9	0	0	0	112.2	V124 K125 A130 I131	V124-D128 HydrophobicContact CG1-CB 3.71Å; K125-D128 WeakPolarHBondContact CB-OD2 3.37Å; K125-D128 PolarHBondContact N-OD2 3.28Å; K125-D128 WeakPolarHBondContact O-CB 3.37Å; K125-D128 PolarHBondContact O-N 3.28Å; K125-D128 VanDerWaalsContact O-N 3.08Å; D128-A130 PolarHBondContact O-N 3.32Å; D128-I131 HydrophobicContact CB-CD1 4.42Å; D128-I131 VanDerWaalsContact O-CD1 3.3Å; D128-I131 WeakPolarHBondContact O-CD1 3.11Å; D128-I131 VanDerWaalsContact O-CG1 3.25Å; D128-I131 WeakPolarHBondContact O-CG1 3.47Å; D128-I131 PolarHBondContact O-N 3.19Å
129	L	87.5	Confident	87.1	Confident	53 Å²	53	67 Å²	67	28%	0.277	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-70.8	-15.8	174.2	-64.8	176.7	0	0	0	113.1	H95 K99 V124 K125 P126 I127	H95-L129 HydrophobicContact CB-CD1 3.76Å; H95-L129 WeakPolarHBondContact O-CD1 3.41Å; K99-L129 HydrophobicContact CB-CB 4.29Å; K99-L129 HydrophobicContact CB-CD1 4.35Å; V124-L129 HydrophobicContact CG1-CD2 3.75Å; V124-L129 HydrophobicContact CG1-CG 3.77Å; K125-L129 PolarHBondContact O-N 3.13Å; P126-L129 PolarHBondContact O-N 2.82Å; I127-L129 VanDerWaalsContact C-N 3.27Å; I127-L129 PolarHBondContact O-N 3.32Å
130	A	88.3	Confident	87.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-96	0	179.8	0	0	0	0	0	113.9	A98 I127 D128 Y132 N133 T136 W137 L140	A98-A130 HydrophobicContact CB-CB 4.45Å; I127-A130 WeakPolarHBondContact O-CA 3.32Å; I127-A130 WeakPolarHBondContact O-CB 3.32Å; I127-A130 PolarHBondContact O-N 3.48Å; D128-A130 PolarHBondContact O-N 3.32Å; A130-Y132 PolarHBondContact O-N 3.06Å; A130-Y132 VanDerWaalsContact O-N 3.12Å; A130-N133 CarbonylContact O-C 3.56Å; A130-N133 WeakPolarHBondContact O-CA 3.21Å; A130-N133 WeakPolarHBondContact O-CB 3.5Å; A130-N133 PolarHBondContact O-N 3.16Å; A130-T136 HydrophobicContact CB-CG2 3.88Å; A130-W137 HydrophobicContact CB-CB 4.26Å; A130-W137 HydrophobicContact CB-CE3 4.44Å; A130-W137 WeakPolarHBondContact O-CB 3.28Å; A130-L140 HydrophobicContact CB-CD1 3.79Å
131	I	85.1	Confident	87	Confident	96 Å²	96	64.2 Å²	64.2	49%	0.492	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.5	-174.3	-69	167.8	0	0	0	112.7	D128 N133 W137	D128-I131 HydrophobicContact CB-CD1 4.42Å; D128-I131 VanDerWaalsContact O-CD1 3.3Å; D128-I131 WeakPolarHBondContact O-CD1 3.11Å; D128-I131 VanDerWaalsContact O-CG1 3.25Å; D128-I131 WeakPolarHBondContact O-CG1 3.47Å; D128-I131 PolarHBondContact O-N 3.19Å; I131-N133 PolarHBondContact O-N 2.91Å; I131-W137 HydrophobicContact CB-CE3 4.39Å; I131-W137 HydrophobicContact CB-CZ3 4.37Å; I131-W137 HydrophobicContact CD1-CZ3 4.32Å; I131-W137 HydrophobicContact CG1-CE3 3.79Å; I131-W137 HydrophobicContact CG1-CH2 4.07Å; I131-W137 HydrophobicContact CG1-CZ3 3.32Å
132	Y	83.5	Confident	86.8	Confident	216 Å²	216	61.8 Å²	61.8	85%	0.847	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.3	-180	-57.4	-70.6	0	0	0	114	A130	A130-Y132 PolarHBondContact O-N 3.06Å; A130-Y132 VanDerWaalsContact O-N 3.12Å
133	N	86.2	Confident	86.6	Confident	34 Å²	34	57.4 Å²	57.4	18%	0.182	29%	0.291	C	S	.	.			trans	-121.8	97.5	-172.3	-68	-46.5	0	0	0	111.2	N101 A130 I131 E135 T136 W137	N101-N133 HydrophobicContact CB-CB 4.16Å; N101-N133 WeakPolarHBondContact OD1-CB 3.3Å; A130-N133 CarbonylContact O-C 3.56Å; A130-N133 WeakPolarHBondContact O-CA 3.21Å; A130-N133 WeakPolarHBondContact O-CB 3.5Å; A130-N133 PolarHBondContact O-N 3.16Å; I131-N133 PolarHBondContact O-N 2.91Å; N133-E135 VanDerWaalsContact C-N 3.34Å; N133-E135 PolarHBondContact O-N 2.9Å; N133-T136 PolarHBondContact O-N 3.04Å; N133-W137 WeakPolarHBondContact O-CB 2.99Å; N133-W137 PolarHBondContact O-N 3.31Å
134	S	81.2	Confident	86.2	Confident	77 Å²	77	57.7 Å²	57.7	54%	0.538	29%	0.289	S	S	.	.	H	α-helix	trans	-54.7	-42.2	-172.1	-170	0	0	0	0	114.2	K138	S134-K138 VanDerWaalsContact O-CD 3.28Å; S134-K138 WeakPolarHBondContact O-CD 3.39Å; S134-K138 WeakPolarHBondContact O-CG 3.45Å; S134-K138 PolarHBondContact O-N 3.37Å; S134-K138 WeakPolarHBondContact OG-CE 3.35Å; S134-K138 PolarHBondContact OG-NZ 3.37Å
135	E	88.4	Confident	85.6	Confident	128 Å²	128	61.3 Å²	61.3	60%	0.598	31%	0.307	S	S	*	.	H	α-helix	trans	-75.4	-49.2	-176.4	-63.1	-168.4	159.8	0	0	112.8	T103 N133 K138 V139	T103-E135 HydrophobicContact CG2-CB 4.5Å; N133-E135 VanDerWaalsContact C-N 3.34Å; N133-E135 PolarHBondContact O-N 2.9Å; E135-K138 PolarHBondContact O-N 2.93Å; E135-V139 WeakPolarHBondContact O-CG2 3.41Å; E135-V139 PolarHBondContact O-N 3.16Å; E135-V139 VanDerWaalsContact O-N 3.15Å
136	T	88.5	Confident	84.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-40	-179.1	-65.3	0	0	0	0	111.4	A98 N101 T103 V106 A130 N133 K138 V139 L140	A98-T136 HydrophobicContact CB-CG2 4.37Å; N101-T136 WeakPolarHBondContact OD1-CB 3.47Å; N101-T136 PolarHBondContact OD1-OG1 3.04Å; T103-T136 PolarHBondContact OG1-OG1 3.24Å; T103-T136 VanDerWaalsContact OG1-OG1 3.12Å; V106-T136 HydrophobicContact CG1-CG2 4.48Å; V106-T136 HydrophobicContact CG2-CG2 3.92Å; A130-T136 HydrophobicContact CB-CG2 3.88Å; N133-T136 PolarHBondContact O-N 3.04Å; T136-K138 VanDerWaalsContact C-N 3.35Å; T136-K138 PolarHBondContact O-N 3.32Å; T136-V139 PolarHBondContact O-N 3.31Å; T136-L140 HydrophobicContact CG2-CD1 3.93Å; T136-L140 PolarHBondContact O-N 3.39Å
137	W	89.2	Confident	83.7	Confident	81 Å²	81	66.2 Å²	66.2	31%	0.307	35%	0.35	S	S	.	.	H	α-helix	trans	-55.7	-48.1	173.2	174.6	-96.9	0	0	0	111.7	I127 A130 I131 N133 V139 L140 L141	I127-W137 HydrophobicContact CB-CZ3 4.38Å; I127-W137 HydrophobicContact CD1-CH2 4.26Å; I127-W137 HydrophobicContact CD1-CZ3 4.28Å; I127-W137 HydrophobicContact CG1-CD2 4.28Å; I127-W137 HydrophobicContact CG1-CE3 3.64Å; I127-W137 HydrophobicContact CG1-CH2 3.91Å; I127-W137 HydrophobicContact CG1-CZ2 4.5Å; I127-W137 HydrophobicContact CG1-CZ3 3.45Å; I127-W137 VanDerWaalsContact CG1-CZ3 3.45Å; I127-W137 WeakPolarHBondContact O-CZ3 3.32Å; A130-W137 HydrophobicContact CB-CB 4.26Å; A130-W137 HydrophobicContact CB-CE3 4.44Å; A130-W137 WeakPolarHBondContact O-CB 3.28Å; I131-W137 HydrophobicContact CB-CE3 4.39Å; I131-W137 HydrophobicContact CB-CZ3 4.37Å; I131-W137 HydrophobicContact CD1-CZ3 4.32Å; I131-W137 HydrophobicContact CG1-CE3 3.79Å; I131-W137 HydrophobicContact CG1-CH2 4.07Å; I131-W137 HydrophobicContact CG1-CZ3 3.32Å; N133-W137 WeakPolarHBondContact O-CB 2.99Å; N133-W137 PolarHBondContact O-N 3.31Å; W137-V139 VanDerWaalsContact C-N 3.34Å; W137-V139 PolarHBondContact O-N 3.42Å; W137-L140 PolarHBondContact O-N 3.45Å; W137-L141 VanDerWaalsContact O-CB 3.28Å; W137-L141 WeakPolarHBondContact O-CB 3.47Å; W137-L141 PolarHBondContact O-N 3.32Å
138	K	87.7	Confident	82.4	Confident	117 Å²	117	69.4 Å²	69.4	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-42.4	178.7	-74.7	168.4	-171.6	175.1	0	112.3	S134 E135 T136 L141 N142	S134-K138 VanDerWaalsContact O-CD 3.28Å; S134-K138 WeakPolarHBondContact O-CD 3.39Å; S134-K138 WeakPolarHBondContact O-CG 3.45Å; S134-K138 PolarHBondContact O-N 3.37Å; S134-K138 WeakPolarHBondContact OG-CE 3.35Å; S134-K138 PolarHBondContact OG-NZ 3.37Å; E135-K138 PolarHBondContact O-N 2.93Å; T136-K138 VanDerWaalsContact C-N 3.35Å; T136-K138 PolarHBondContact O-N 3.32Å; K138-L141 PolarHBondContact O-N 3.05Å; K138-N142 WeakPolarHBondContact O-CB 3.28Å; K138-N142 PolarHBondContact O-N 3.36Å; K138-N142 PolarHBondContact O-OD1 2.98Å
139	V	86.7	Confident	81	Confident	19 Å²	19	67.9 Å²	67.9	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-45	178.3	171.9	0	0	0	0	111.1	T103 V106 K107 L110 E135 T136 W137 A143	T103-V139 HydrophobicContact CG2-CG2 3.77Å; V106-V139 HydrophobicContact CG1-CG1 4.17Å; K107-V139 VanDerWaalsContact CE-CG2 3.44Å; K107-V139 HydrophobicContact CG-CG1 3.66Å; K107-V139 HydrophobicContact CG-CG2 4.41Å; L110-V139 HydrophobicContact CD1-CG1 4.11Å; E135-V139 WeakPolarHBondContact O-CG2 3.41Å; E135-V139 PolarHBondContact O-N 3.16Å; E135-V139 VanDerWaalsContact O-N 3.15Å; T136-V139 PolarHBondContact O-N 3.31Å; W137-V139 VanDerWaalsContact C-N 3.34Å; W137-V139 PolarHBondContact O-N 3.42Å; V139-A143 VanDerWaalsContact O-CB 3.32Å; V139-A143 WeakPolarHBondContact O-CB 3.46Å; V139-A143 PolarHBondContact O-N 3.04Å
140	L	85.6	Confident	79.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-67.9	-39.4	178.5	-72.2	167.9	0	0	0	111.9	L94 A98 V106 L110 I127 A130 T136 W137 A143 A144	L94-L140 HydrophobicContact CD1-CD2 4.38Å; L94-L140 HydrophobicContact CD2-CD2 4.49Å; A98-L140 HydrophobicContact CB-CD1 3.8Å; V106-L140 HydrophobicContact CG1-CD2 3.75Å; V106-L140 HydrophobicContact CG1-CG 3.96Å; L110-L140 HydrophobicContact CD1-CD2 4.24Å; L110-L140 HydrophobicContact CD2-CD2 4.43Å; I127-L140 HydrophobicContact CB-CB 4.2Å; I127-L140 HydrophobicContact CD1-CB 4.22Å; I127-L140 HydrophobicContact CG1-CB 3.92Å; A130-L140 HydrophobicContact CB-CD1 3.79Å; T136-L140 HydrophobicContact CG2-CD1 3.93Å; T136-L140 PolarHBondContact O-N 3.39Å; W137-L140 PolarHBondContact O-N 3.45Å; L140-A143 PolarHBondContact O-N 3.44Å; L140-A144 VanDerWaalsContact O-CB 3.32Å; L140-A144 WeakPolarHBondContact O-CB 3.42Å; L140-A144 PolarHBondContact O-N 2.95Å
141	L	85.6	Confident	77.5	Confident	65 Å²	65	77.2 Å²	77.2	34%	0.34	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-46.6	176.2	-175.8	64.9	0	0	0	111.4	I127 W137 K138 A143 A144 N145	I127-L141 HydrophobicContact CD1-CB 4.18Å; I127-L141 HydrophobicContact CD1-CD1 4.21Å; W137-L141 VanDerWaalsContact O-CB 3.28Å; W137-L141 WeakPolarHBondContact O-CB 3.47Å; W137-L141 PolarHBondContact O-N 3.32Å; K138-L141 PolarHBondContact O-N 3.05Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.49Å; L141-A144 PolarHBondContact O-N 3.35Å; L141-N145 VanDerWaalsContact O-CG 3.28Å; L141-N145 PolarHBondContact O-N 3.07Å; L141-N145 PolarHBondContact O-ND2 3.49Å
142	N	84.4	Confident	75.7	Confident	82 Å²	82	80 Å²	80	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-44.8	175.9	-69.6	-7.2	0	0	0	110.9	K138 A144 N145 G146 D147	K138-N142 WeakPolarHBondContact O-CB 3.28Å; K138-N142 PolarHBondContact O-N 3.36Å; K138-N142 PolarHBondContact O-OD1 2.98Å; N142-A144 VanDerWaalsContact C-N 3.34Å; N142-A144 PolarHBondContact O-N 3.41Å; N142-N145 PolarHBondContact O-N 3.13Å; N142-G146 PolarHBondContact O-N 3.5Å; N142-D147 CarbonylContact C-O 3.58Å; N142-D147 HydrophobicContact CB-CB 4.23Å; N142-D147 CarbonylContact O-C 3.51Å; N142-D147 WeakPolarHBondContact O-CA 3.25Å; N142-D147 WeakPolarHBondContact O-CB 3.16Å; N142-D147 PolarHBondContact O-N 2.95Å
143	A	81.6	Confident	73.8	Confident	5 Å²	5	78.1 Å²	78.1	4%	0.041	41%	0.411	C	S	.	.	H	α-helix	trans	-63.2	-38.8	178.1	0	0	0	0	0	112.5	L110 I116 V139 L140 L141 N145 G146 L148	L110-A143 HydrophobicContact CD1-CB 3.73Å; I116-A143 HydrophobicContact CD1-CB 3.62Å; V139-A143 VanDerWaalsContact O-CB 3.32Å; V139-A143 WeakPolarHBondContact O-CB 3.46Å; V139-A143 PolarHBondContact O-N 3.04Å; L140-A143 PolarHBondContact O-N 3.44Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.49Å; A143-N145 VanDerWaalsContact C-N 3.31Å; A143-N145 PolarHBondContact O-N 3.17Å; A143-G146 PolarHBondContact O-N 2.91Å; A143-G146 VanDerWaalsContact O-N 3.13Å; A143-L148 HydrophobicContact CB-CD2 4.21Å
144	A	78.2	Confident	71.6	Confident	50 Å²	50	80.6 Å²	80.6	41%	0.413	42%	0.424	S	S	.	.	H	α-helix	trans	-65.7	-33.1	175.6	0	0	0	0	0	112.5	I116 L140 L141 N142 G146	I116-A144 HydrophobicContact CG2-CB 4.29Å; L140-A144 VanDerWaalsContact O-CB 3.32Å; L140-A144 WeakPolarHBondContact O-CB 3.42Å; L140-A144 PolarHBondContact O-N 2.95Å; L141-A144 PolarHBondContact O-N 3.35Å; N142-A144 VanDerWaalsContact C-N 3.34Å; N142-A144 PolarHBondContact O-N 3.41Å; A144-G146 PolarHBondContact O-N 3.21Å
145	N	76.9	Confident	69.8	Low	117 Å²	117	79.9 Å²	79.9	63%	0.626	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	2	174.2	-67.3	-25.5	0	0	0	113.5	L141 N142 A143	L141-N145 VanDerWaalsContact O-CG 3.28Å; L141-N145 PolarHBondContact O-N 3.07Å; L141-N145 PolarHBondContact O-ND2 3.49Å; N142-N145 PolarHBondContact O-N 3.13Å; A143-N145 VanDerWaalsContact C-N 3.31Å; A143-N145 PolarHBondContact O-N 3.17Å
146	G	70.2	Confident	67.8	Low	57 Å²	57	82.5 Å²	82.5	59%	0.588	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	-6.3	-177.9	0	0	0	0	0	114.5	N142 A143 A144 L148	N142-G146 PolarHBondContact O-N 3.5Å; A143-G146 PolarHBondContact O-N 2.91Å; A143-G146 VanDerWaalsContact O-N 3.13Å; A144-G146 PolarHBondContact O-N 3.21Å; G146-L148 PolarHBondContact O-N 3.23Å
147	D	66.8	Low	65.4	Low	106 Å²	106	87.8 Å²	87.8	57%	0.567	46%	0.458	S	S	*	.			trans	-80.8	63.5	170.2	-76.7	-41.3	0	0	0	110	N142	N142-D147 CarbonylContact C-O 3.58Å; N142-D147 HydrophobicContact CB-CB 4.23Å; N142-D147 CarbonylContact O-C 3.51Å; N142-D147 WeakPolarHBondContact O-CA 3.25Å; N142-D147 WeakPolarHBondContact O-CB 3.16Å; N142-D147 PolarHBondContact O-N 2.95Å
148	L	61	Low	63.4	Low	89 Å²	89	95.3 Å²	95.3	47%	0.466	49%	0.487	S	S	.	.			trans	-55.4	140.4	169.7	-78.6	159.4	0	0	0	109.2	L110 I116 A143 G146 K150	L110-L148 HydrophobicContact CB-CD2 4.3Å; I116-L148 HydrophobicContact CD1-CD2 4.27Å; A143-L148 HydrophobicContact CB-CD2 4.21Å; G146-L148 PolarHBondContact O-N 3.23Å; L148-K150 PolarHBondContact O-N 3.24Å
149	P	58	Low	61.1	Low	34 Å²	34	94.6 Å²	94.6	22%	0.221	49%	0.492	C	S	.	.			trans	-54.2	110.6	176	20.3	-30.1	0	0	0	109.3	K107 L110 M111 I151	K107-P149 HydrophobicContact CB-CG 4.39Å; K107-P149 HydrophobicContact CG-CB 4.45Å; K107-P149 HydrophobicContact CG-CG 4.41Å; L110-P149 HydrophobicContact CB-CG 4.45Å; M111-P149 HydrophobicContact CG-CG 4.06Å; P149-I151 PolarHBondContact O-N 3.45Å
150	K	53.4	Low	59.3	Low	158 Å²	158	99 Å²	99	69%	0.687	52%	0.519	S	S	*	.			trans	-59.4	136.2	-177.1	-67.1	178.9	-178.1	174.1	0	109.1	L148 E152	L148-K150 PolarHBondContact O-N 3.24Å; K150-E152 HydrophobicContact CB-CG 4.49Å; K150-E152 PolarHBondContact O-N 3.1Å
151	I	49.7	Very low	57.4	Low	91 Å²	91	104.2 Å²	104.2	47%	0.467	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-66.6	9.8	-175.5	-27.9	172.7	0	0	0	112.9	M111 P149 H153 L154 I155	M111-I151 HydrophobicContact CE-CB 4.22Å; M111-I151 HydrophobicContact CE-CG2 3.63Å; P149-I151 PolarHBondContact O-N 3.45Å; I151-H153 PolarHBondContact O-N 3.36Å; I151-L154 HydrophobicContact CG2-CB 4.07Å; I151-L154 PolarHBondContact O-N 3.22Å; I151-I155 HydrophobicContact CB-CD1 3.76Å; I151-I155 HydrophobicContact CB-CG1 4.02Å; I151-I155 HydrophobicContact CD1-CD1 3.98Å; I151-I155 HydrophobicContact CG1-CD1 4.43Å; I151-I155 HydrophobicContact CG2-CD1 3.78Å; I151-I155 HydrophobicContact CG2-CG1 3.59Å; I151-I155 PolarHBondContact O-N 2.84Å
152	E	47.3	Very low	55.6	Low	154 Å²	154	109 Å²	109	72%	0.72	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-53.9	-23.7	-169.7	-86.7	175.8	177.5	0	0	113.6	K150	K150-E152 HydrophobicContact CB-CG 4.49Å; K150-E152 PolarHBondContact O-N 3.1Å
153	H	42.7	Very low	54.2	Low	176 Å²	176	110.3 Å²	110.3	82%	0.815	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-101.5	-1	177.7	-134.8	66	0	0	0	116.8	I151	I151-H153 PolarHBondContact O-N 3.36Å
154	L	40.8	Very low	52.5	Low	87 Å²	87	114.3 Å²	114.3	46%	0.455	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.7	-9	173.5	-89.5	163.5	0	0	0	113.6	F108 M111 I151	F108-L154 HydrophobicContact CD2-CD1 4.39Å; F108-L154 HydrophobicContact CE2-CD1 4.3Å; M111-L154 HydrophobicContact CE-CB 4.36Å; M111-L154 HydrophobicContact CE-CD1 3.67Å; M111-L154 HydrophobicContact SD-CD1 4.48Å; I151-L154 HydrophobicContact CG2-CB 4.07Å; I151-L154 PolarHBondContact O-N 3.22Å
155	I	42.1	Very low	51.6	Low	61 Å²	61	119.7 Å²	119.7	31%	0.313	63%	0.626	S	S	.	*			trans	-108.5	67.9	172.3	-39.8	172.5	0	0	0	109.5	I151 T157 T159	I151-I155 HydrophobicContact CB-CD1 3.76Å; I151-I155 HydrophobicContact CB-CG1 4.02Å; I151-I155 HydrophobicContact CD1-CD1 3.98Å; I151-I155 HydrophobicContact CG1-CD1 4.43Å; I151-I155 HydrophobicContact CG2-CD1 3.78Å; I151-I155 HydrophobicContact CG2-CG1 3.59Å; I151-I155 PolarHBondContact O-N 2.84Å; I155-T157 WeakPolarHBondContact CG2-O 3.49Å; I155-T157 PolarHBondContact O-N 2.85Å; I155-T159 HydrophobicContact CB-CG2 4.43Å; I155-T159 HydrophobicContact CD1-CG2 4.15Å; I155-T159 HydrophobicContact CG2-CG2 3.74Å
156	Q	47.3	Very low	51.5	Low	184 Å²	184	122.7 Å²	122.7	86%	0.86	63%	0.634	S	S	*	*			trans	-66.9	-2.9	153.6	-83.9	-166.9	-6.3	0	0	111.5	R158	Q156-R158 PolarHBondContact O-N 2.92Å
157	T	39.1	Very low	51.5	Low	111 Å²	111	122.3 Å²	122.3	68%	0.681	63%	0.625	S	S	*	*	S	Bend	trans	-100.5	82.7	-179.8	50.5	0	0	0	0	111.9	I155 T159	I155-T157 WeakPolarHBondContact CG2-O 3.49Å; I155-T157 PolarHBondContact O-N 2.85Å; T157-T159 PolarHBondContact O-N 2.87Å
158	R	46.9	Very low	51.7	Low	238 Å²	238	121.9 Å²	121.9	90%	0.898	62%	0.622	S	S	*	*			trans	66.2	46	143.1	-157.6	-173.6	172.4	-170.8	-2	117	Q156 V160	Q156-R158 PolarHBondContact O-N 2.92Å; R158-V160 PolarHBondContact O-N 3.19Å
159	T	38.4	Very low	52.5	Low	102 Å²	102	122.1 Å²	122.1	63%	0.626	62%	0.62	S	S	*	*			trans	-81.4	114.4	154.7	78.1	0	0	0	0	107.7	I155 T157	I155-T159 HydrophobicContact CB-CG2 4.43Å; I155-T159 HydrophobicContact CD1-CG2 4.15Å; I155-T159 HydrophobicContact CG2-CG2 3.74Å; T157-T159 PolarHBondContact O-N 2.87Å
160	V	49.1	Very low	53.6	Low	113 Å²	113	130 Å²	130	69%	0.685	65%	0.646	S	S	*	*			trans	-42.7	127.6	174.4	-176.8	0	0	0	0	109	R158 L162	R158-V160 PolarHBondContact O-N 3.19Å; V160-L162 PolarHBondContact O-N 3.04Å
161	P	46.3	Very low	54.9	Low	109 Å²	109	126.9 Å²	126.9	71%	0.708	63%	0.634	S	S	*	*			trans	-52	130.1	-174.9	18.4	-30.2	0	0	0	109.7	I163	P161-I163 PolarHBondContact O-N 3.43Å
162	L	46.7	Very low	56.4	Low	165 Å²	165	126.9 Å²	126.9	86%	0.864	63%	0.634	S	S	*	*			trans	-43.2	103.4	175	-83.1	152.2	0	0	0	108.7	V160 P164	V160-L162 PolarHBondContact O-N 3.04Å; L162-P164 WeakPolarHBondContact O-CD 3.41Å
163	I	56.4	Low	58.4	Low	109 Å²	109	123.2 Å²	123.2	56%	0.559	62%	0.619	S	S	*	*			trans	-69.1	115.6	174.3	-35.4	175.7	0	0	0	104.4	P161 Q165 A167	P161-I163 PolarHBondContact O-N 3.43Å; I163-Q165 PolarHBondContact O-N 3.27Å; I163-A167 HydrophobicContact CG2-CB 3.62Å
164	P	46.2	Very low	60.3	Low	89 Å²	89	121.2 Å²	121.2	58%	0.578	61%	0.608	S	S	*	*			trans	-53.6	137.9	-175.6	-26.7	35.3	0	0	0	110.2	L162 F166 A167	L162-P164 WeakPolarHBondContact O-CD 3.41Å; P164-F166 PolarHBondContact O-N 2.95Å; P164-A167 VanDerWaalsContact O-CB 3.31Å; P164-A167 WeakPolarHBondContact O-CB 3.4Å; P164-A167 PolarHBondContact O-N 3.48Å
165	Q	58	Low	62	Low	163 Å²	163	122.6 Å²	122.6	76%	0.762	61%	0.612	S	S	*	*	H	α-helix	trans	-51.6	-29.7	-171	-66.2	-173.3	4.8	0	0	113.7	I163 A167 I168 Q169	I163-Q165 PolarHBondContact O-N 3.27Å; Q165-A167 VanDerWaalsContact C-N 3.26Å; Q165-A167 PolarHBondContact O-N 2.81Å; Q165-I168 WeakPolarHBondContact O-CB 3.42Å; Q165-I168 PolarHBondContact O-N 3.46Å; Q165-I168 VanDerWaalsContact O-N 3.13Å; Q165-Q169 PolarHBondContact O-N 2.99Å
166	F	74.8	Confident	63.9	Low	181 Å²	181	122.3 Å²	122.3	79%	0.794	62%	0.619	S	S	*	*	H	α-helix	trans	-59.3	-32.1	173.8	-63.7	-70.8	0	0	0	114	P164 Q169 R170	P164-F166 PolarHBondContact O-N 2.95Å; F166-Q169 PolarHBondContact O-N 3.44Å; F166-R170 WeakPolarHBondContact O-CB 3.37Å; F166-R170 PolarHBondContact O-N 3Å
167	A	71.1	Confident	65.6	Low	49 Å²	49	120.3 Å²	120.3	41%	0.405	61%	0.607	S	S	.	*	H	α-helix	trans	-70.4	-38.1	175.5	0	0	0	0	0	111.6	I163 P164 Q165 E171	I163-A167 HydrophobicContact CG2-CB 3.62Å; P164-A167 VanDerWaalsContact O-CB 3.31Å; P164-A167 WeakPolarHBondContact O-CB 3.4Å; P164-A167 PolarHBondContact O-N 3.48Å; Q165-A167 VanDerWaalsContact C-N 3.26Å; Q165-A167 PolarHBondContact O-N 2.81Å; A167-E171 PolarHBondContact O-N 3.25Å
168	I	70.7	Confident	67.6	Low	97 Å²	97	117.1 Å²	117.1	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-62.6	-51.6	171.5	-58.7	176.1	0	0	0	108.5	Q165 R170 E171 I172	Q165-I168 WeakPolarHBondContact O-CB 3.42Å; Q165-I168 PolarHBondContact O-N 3.46Å; Q165-I168 VanDerWaalsContact O-N 3.13Å; I168-R170 VanDerWaalsContact C-N 3.29Å; I168-R170 PolarHBondContact O-N 3.4Å; I168-E171 PolarHBondContact O-N 3.15Å; I168-I172 HydrophobicContact CG2-CD1 4.18Å; I168-I172 HydrophobicContact CG2-CG1 4.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.47Å; I168-I172 PolarHBondContact O-N 3.32Å; I168-I172 VanDerWaalsContact O-N 3.1Å
169	Q	77	Confident	68.8	Low	93 Å²	93	111.4 Å²	111.4	44%	0.435	58%	0.58	S	S	.	*	H	α-helix	trans	-54.2	-43.7	-179.5	-167.4	59.3	52.2	0	0	112.4	Q165 F166 E171 I172 D173	Q165-Q169 PolarHBondContact O-N 2.99Å; F166-Q169 PolarHBondContact O-N 3.44Å; Q169-E171 VanDerWaalsContact C-N 3.27Å; Q169-E171 PolarHBondContact O-N 3.28Å; Q169-I172 PolarHBondContact O-N 3.31Å; Q169-D173 PolarHBondContact NE2-OD1 3.43Å; Q169-D173 PolarHBondContact O-N 2.94Å
170	R	82.2	Confident	70.6	Confident	201 Å²	201	113.8 Å²	113.8	76%	0.758	58%	0.584	S	S	*	*	H	α-helix	trans	-61.8	-34.7	178.5	-162.7	179.8	-168.5	-175.2	4.1	112.8	F166 I168 K174	F166-R170 WeakPolarHBondContact O-CB 3.37Å; F166-R170 PolarHBondContact O-N 3Å; I168-R170 VanDerWaalsContact C-N 3.29Å; I168-R170 PolarHBondContact O-N 3.4Å; R170-K174 WeakPolarHBondContact O-CB 3.41Å; R170-K174 PolarHBondContact O-N 3.12Å; R170-K174 VanDerWaalsContact O-N 3.07Å
171	E	80.1	Confident	71.4	Confident	92 Å²	92	117.2 Å²	117.2	43%	0.43	59%	0.589	S	S	.	*	H	α-helix	trans	-75.3	-39.2	177.7	-163.5	59.3	-147.2	0	0	111.5	A167 I168 Q169 D173 K174 Q175	A167-E171 PolarHBondContact O-N 3.25Å; I168-E171 PolarHBondContact O-N 3.15Å; Q169-E171 VanDerWaalsContact C-N 3.27Å; Q169-E171 PolarHBondContact O-N 3.28Å; E171-D173 VanDerWaalsContact C-N 3.32Å; E171-D173 PolarHBondContact O-N 3.44Å; E171-K174 WeakPolarHBondContact O-CB 3.31Å; E171-K174 PolarHBondContact O-N 3.45Å; E171-Q175 VanDerWaalsContact O-CG 3.28Å; E171-Q175 WeakPolarHBondContact O-CG 3.2Å; E171-Q175 PolarHBondContact O-N 2.82Å
172	I	82.2	Confident	72.2	Confident	91 Å²	91	120.2 Å²	120.2	47%	0.467	59%	0.591	S	S	.	*	H	α-helix	trans	-60.7	-43.5	173.2	-11.7	174.9	0	0	0	110.5	I168 Q169 K174 Q175 A176	I168-I172 HydrophobicContact CG2-CD1 4.18Å; I168-I172 HydrophobicContact CG2-CG1 4.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.47Å; I168-I172 PolarHBondContact O-N 3.32Å; I168-I172 VanDerWaalsContact O-N 3.1Å; Q169-I172 PolarHBondContact O-N 3.31Å; I172-K174 VanDerWaalsContact C-N 3.31Å; I172-K174 PolarHBondContact O-N 3.2Å; I172-Q175 PolarHBondContact O-N 3.12Å; I172-A176 PolarHBondContact O-N 2.68Å
173	D	88.2	Confident	72.8	Confident	77 Å²	77	115.5 Å²	115.5	41%	0.412	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-36.4	177.9	-63.6	-12.2	0	0	0	111.9	Q169 E171 A176 K177	Q169-D173 PolarHBondContact NE2-OD1 3.43Å; Q169-D173 PolarHBondContact O-N 2.94Å; E171-D173 VanDerWaalsContact C-N 3.32Å; E171-D173 PolarHBondContact O-N 3.44Å; D173-A176 PolarHBondContact O-N 3.32Å; D173-K177 WeakPolarHBondContact O-CG 3.46Å; D173-K177 PolarHBondContact O-N 3.22Å; D173-K177 VanDerWaalsContact O-N 3.13Å
174	K	83.6	Confident	72.6	Confident	133 Å²	133	113.3 Å²	113.3	58%	0.578	59%	0.587	S	S	*	*	H	α-helix	trans	-67.1	-40.1	175.9	-170.5	-178.4	176.2	-167.3	0	111.4	R170 E171 I172 A178	R170-K174 WeakPolarHBondContact O-CB 3.41Å; R170-K174 PolarHBondContact O-N 3.12Å; R170-K174 VanDerWaalsContact O-N 3.07Å; E171-K174 WeakPolarHBondContact O-CB 3.31Å; E171-K174 PolarHBondContact O-N 3.45Å; I172-K174 VanDerWaalsContact C-N 3.31Å; I172-K174 PolarHBondContact O-N 3.2Å; K174-A178 WeakPolarHBondContact O-CB 3.28Å; K174-A178 PolarHBondContact O-N 2.92Å
175	Q	76.7	Confident	73	Confident	117 Å²	117	115.1 Å²	115.1	55%	0.547	60%	0.596	S	S	.	*	H	α-helix	trans	-67.9	-40.3	175.7	-66.9	-72.7	5.6	0	0	111.8	E171 I172 K177 A178 N179	E171-Q175 VanDerWaalsContact O-CG 3.28Å; E171-Q175 WeakPolarHBondContact O-CG 3.2Å; E171-Q175 PolarHBondContact O-N 2.82Å; I172-Q175 PolarHBondContact O-N 3.12Å; Q175-K177 PolarHBondContact O-N 3.07Å; Q175-A178 PolarHBondContact O-N 2.93Å; Q175-N179 PolarHBondContact O-N 2.95Å
176	A	81.8	Confident	72.9	Confident	54 Å²	54	117 Å²	117	45%	0.446	60%	0.602	S	S	.	*	H	α-helix	trans	-58.3	-49.5	175.4	0	0	0	0	0	111.2	I172 D173 A178 N179 E180	I172-A176 PolarHBondContact O-N 2.68Å; D173-A176 PolarHBondContact O-N 3.32Å; A176-A178 VanDerWaalsContact C-N 3.31Å; A176-A178 PolarHBondContact O-N 3.42Å; A176-N179 PolarHBondContact O-N 3.26Å; A176-N179 VanDerWaalsContact O-N 3.17Å; A176-E180 WeakPolarHBondContact O-CG 3.14Å; A176-E180 PolarHBondContact O-N 3.31Å
177	K	81.3	Confident	71.6	Confident	142 Å²	142	118.2 Å²	118.2	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-62.5	-34.6	176.3	-70.7	177.6	-177.2	178.6	0	113.2	D173 Q175 K181	D173-K177 WeakPolarHBondContact O-CG 3.46Å; D173-K177 PolarHBondContact O-N 3.22Å; D173-K177 VanDerWaalsContact O-N 3.13Å; Q175-K177 PolarHBondContact O-N 3.07Å; K177-K181 PolarHBondContact O-N 3.36Å
178	A	82.1	Confident	70.6	Confident	45 Å²	45	122.2 Å²	122.2	37%	0.372	63%	0.632	S	S	.	*	H	α-helix	trans	-69.8	-36.1	176.7	0	0	0	0	0	112.1	K174 Q175 A176 K182	K174-A178 WeakPolarHBondContact O-CB 3.28Å; K174-A178 PolarHBondContact O-N 2.92Å; Q175-A178 PolarHBondContact O-N 2.93Å; A176-A178 VanDerWaalsContact C-N 3.31Å; A176-A178 PolarHBondContact O-N 3.42Å; A178-K182 PolarHBondContact O-N 3.46Å
179	N	73	Confident	69.3	Low	118 Å²	118	120.9 Å²	120.9	63%	0.631	64%	0.642	S	S	*	*	H	α-helix	trans	-74	-36.9	179.4	-156.4	17.3	0	0	0	112	Q175 A176 K181 K182 G183	Q175-N179 PolarHBondContact O-N 2.95Å; A176-N179 PolarHBondContact O-N 3.26Å; A176-N179 VanDerWaalsContact O-N 3.17Å; N179-K181 VanDerWaalsContact C-N 3.29Å; N179-K181 PolarHBondContact O-N 2.99Å; N179-K182 PolarHBondContact O-N 2.91Å; N179-G183 PolarHBondContact O-N 2.78Å; N179-G183 VanDerWaalsContact O-N 3.16Å
180	E	75.1	Confident	68	Low	152 Å²	152	125.5 Å²	125.5	71%	0.71	66%	0.661	S	S	*	*	H	α-helix	trans	-58.8	-40	173.1	-73.8	-179	161	0	0	112.2	A176 K182 G183	A176-E180 WeakPolarHBondContact O-CG 3.14Å; A176-E180 PolarHBondContact O-N 3.31Å; E180-K182 VanDerWaalsContact C-N 3.25Å; E180-K182 PolarHBondContact O-N 3.13Å; E180-G183 PolarHBondContact O-N 2.92Å
181	K	66.5	Low	66.5	Low	184 Å²	184	125.1 Å²	125.1	80%	0.8	67%	0.665	S	S	*	*	H	α-helix	trans	-65.9	-25.6	175.9	-71.8	-175.2	179.5	-174.6	0	113.5	K177 N179	K177-K181 PolarHBondContact O-N 3.36Å; N179-K181 VanDerWaalsContact C-N 3.29Å; N179-K181 PolarHBondContact O-N 2.99Å
182	K	63.3	Low	65.2	Low	172 Å²	172	126.8 Å²	126.8	75%	0.748	69%	0.687	S	S	*	*	H	α-helix	trans	-86.7	-17.8	178.2	-69.3	-174.6	179.9	-178.8	0	113.4	A178 N179 E180 G184	A178-K182 PolarHBondContact O-N 3.46Å; N179-K182 PolarHBondContact O-N 2.91Å; E180-K182 VanDerWaalsContact C-N 3.25Å; E180-K182 PolarHBondContact O-N 3.13Å; K182-G184 PolarHBondContact O-N 3.31Å
183	G	58.2	Low	63.5	Low	66 Å²	66	126 Å²	126	68%	0.68	70%	0.701	S	S	*	*	H	α-helix	trans	-75.6	-17	-179.1	0	0	0	0	0	115.2	N179 E180 T185	N179-G183 PolarHBondContact O-N 2.78Å; N179-G183 VanDerWaalsContact O-N 3.16Å; E180-G183 PolarHBondContact O-N 2.92Å; G183-T185 PolarHBondContact O-N 3.4Å
184	G	53.1	Low	61.7	Low	64 Å²	64	131.2 Å²	131.2	66%	0.66	72%	0.72	S	S	*	*	S	Bend	trans	-94.6	51.9	-174.6	0	0	0	0	0	115.1	K182	K182-G184 PolarHBondContact O-N 3.31Å
185	T	53.4	Low	60.3	Low	126 Å²	126	133.9 Å²	133.9	77%	0.773	73%	0.731	S	S	*	*			trans	-160.1	66.4	168.1	7	0	0	0	0	111.9	G183	G183-T185 PolarHBondContact O-N 3.4Å
186	K	56.1	Low	59	Low	204 Å²	204	134.5 Å²	134.5	89%	0.887	75%	0.749	S	S	*	*			trans	-139.3	78.1	164.9	-71.1	-170.1	-177.9	177.3	0	110.7
187	K	47.9	Very low	57.4	Low	205 Å²	205	135.3 Å²	135.3	89%	0.891	76%	0.763	S	S	*	*			trans	-138.3	142.3	159.1	-89.6	-172.6	179.2	175	0	109.6
188	S	49.2	Very low	55.9	Low	133 Å²	133	138.9 Å²	138.9	93%	0.93	78%	0.778	S	S	*	*			trans	82.3	127.1	-175.5	83.3	0	0	0	0	114
189	G	45.1	Very low	54.1	Low	69 Å²	69	140.1 Å²	140.1	71%	0.711	80%	0.795	S	S	*	*			cis	169.5	151.1	-2.4	0	0	0	0	0	110.8
190	K	49.8	Very low	52.9	Low	190 Å²	190	143.5 Å²	143.5	83%	0.826	80%	0.804	S	S	*	*			trans	78.2	113.1	148.1	-75	176.3	176.1	169.8	0	120.5
191	K	49.8	Very low	51.4	Low	193 Å²	193	144 Å²	144	84%	0.839	80%	0.804	S	S	*	*				71.8	90.7	124.5	-70.4	-177.7	174.6	-177	0	117.4
192	S	52.4	Low	50.5	Low	128 Å²	128	144.3 Å²	144.3	90%	0.895	81%	0.806	S	S	*	*			trans	-93.3	114.7	148	50.6	0	0	0	0	109.4
193	G	47.6	Very low	49.8	Very low	74 Å²	74	149.5 Å²	149.5	76%	0.763	83%	0.828	S	S	*	*			trans	-78.8	130	-179.2	0	0	0	0	0	112.5
194	K	49.2	Very low	49.4	Very low	186 Å²	186	153.7 Å²	153.7	81%	0.809	84%	0.836	S	S	*	*				32.2	130.9	129.9	-94.6	178.2	174.3	167.6	0	120.3
195	K	53.7	Low	49.2	Very low	189 Å²	189	158.4 Å²	158.4	82%	0.822	85%	0.845	S	S	*	*			trans	81	98.3	137.2	-70.8	178.7	175.7	-175.2	0	117
196	S	49.9	Very low	49	Very low	130 Å²	130	160.2 Å²	160.2	91%	0.909	85%	0.849	S	S	*	*			trans	-107.8	127	134.2	72.9	0	0	0	0	108
197	G	47.7	Very low	48.6	Very low	72 Å²	72	157.6 Å²	157.6	74%	0.742	85%	0.847	S	S	*	*			trans	-112	160.2	178.6	0	0	0	0	0	111.2
198	K	50.3	Low	48.6	Very low	216 Å²	216	154.7 Å²	154.7	94%	0.939	84%	0.844	S	S	*	*			trans	62.1	100	152	-87.2	176.6	169	172.7	0	118.2
199	G	45.6	Very low	48.6	Very low	71 Å²	71	156.1 Å²	156.1	73%	0.732	84%	0.838	S	S	*	*				-121.2	118.5	124.3	0	0	0	0	0	107
200	K	47.5	Very low	48.8	Very low	189 Å²	189	162.4 Å²	162.4	82%	0.822	85%	0.847	S	S	*	*				45.5	128.9	70.2	-87.3	-175.3	-179.3	175.2	0	110.1
201	K	43.3	Very low	48.7	Very low	164 Å²	164	160.2 Å²	160.2	71%	0.713	85%	0.849	S	S	*	*			cis	177.7	162.1	7.2	-145.3	-178.5	-171.6	-171.4	0	105.3
202	K	46.4	Very low	48.6	Very low	190 Å²	190	157.5 Å²	157.5	83%	0.826	85%	0.849	S	S	*	*			trans	79.8	133.3	160.5	-57.4	167.8	173.8	-174	0	114.3
203	K	50.1	Low	48.3	Very low	281 Å²	281	160.2 Å²	160.2	100%	1.222	85%	0.845	S	S	*	*			cis	-127.6	0	13.9	-83.4	177.8	170.9	176.3	0	110.5

Retrieved 203 of 203 residues in 226.5 ms (Link to these results)

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