A0A3Q0KEZ9_SCHMA Loading...

GINS complex subunit 4

AlphaFold DB , UniProt , Accession A0A3Q0KEZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 226 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	31.2	Very low	45 Å²	45	102 Å²	102	22%	0.222	49%	0.489	C	S	.	.				0	88.1	0	-162.5	155.8	-173.4	0	0	110.1	Y3 N67 F203 Q205 L207	M1-Y3 HydrophobicContact CB-CE2 4.35Å; M1-Y3 HydrophobicContact CE-CD1 4.34Å; M1-Y3 HydrophobicContact CE-CE1 3.19Å; M1-Y3 WeakPolarHBondContact CE-OH 3.34Å; M1-Y3 HydrophobicContact CG-CD1 4.07Å; M1-Y3 HydrophobicContact CG-CD2 4.24Å; M1-Y3 HydrophobicContact CG-CE1 3.51Å; M1-Y3 HydrophobicContact CG-CE2 3.67Å; M1-Y3 HydrophobicContact CG-CG 4.47Å; M1-Y3 HydrophobicContact SD-CE1 3.83Å; M1-Y3 HydrophobicContact SD-CE2 4.27Å; M1-Y3 PolarHBondContact SD-OH 3.46Å; M1-N67 PolarHBondContact O-OD1 2.84Å; M1-F203 CarbonylContact C-O 3.57Å; M1-F203 VanDerWaalsContact CA-O 3.24Å; M1-F203 WeakPolarHBondContact CA-O 3.17Å; M1-F203 PolarHBondContact N-O 3.45Å; M1-Q205 HydrophobicContact CE-CB 3.55Å; M1-Q205 HydrophobicContact CE-CG 3.48Å; M1-Q205 VanDerWaalsContact CE-CG 3.48Å; M1-Q205 HydrophobicContact CG-CB 3.74Å; M1-Q205 HydrophobicContact SD-CB 3.83Å; M1-Q205 HydrophobicContact SD-CG 4.34Å; M1-Q205 PolarHBondContact SD-OE1 3.4Å; M1-L207 HydrophobicContact CE-CD2 4.32Å
2	I	35.8	Very low	31.8	Very low	24 Å²	24	97 Å²	97	12%	0.123	47%	0.466	C	S	.	.	B	Isolated β-bridge	trans	-86.2	126	162.2	-58.9	-176.4	0	0	0	108.5	N67 L70 A71 V202 F203	I2-N67 VanDerWaalsContact CA-OD1 3.3Å; I2-N67 WeakPolarHBondContact CA-OD1 3.31Å; I2-L70 HydrophobicContact CD1-CB 4.24Å; I2-L70 HydrophobicContact CG1-CB 3.79Å; I2-A71 HydrophobicContact CD1-CB 4.1Å; I2-V202 HydrophobicContact CD1-CB 3.81Å; I2-V202 HydrophobicContact CD1-CG1 3.77Å; I2-V202 HydrophobicContact CD1-CG2 3.84Å; I2-V202 HydrophobicContact CG1-CB 4.48Å; I2-F203 PolarHBondContact N-O 3.42Å
3	Y	32.8	Very low	31.5	Very low	36 Å²	36	92.3 Å²	92.3	14%	0.141	45%	0.453	C	S	.	.			trans	-102.8	105.7	178.6	-59	-76.5	0	0	0	109.4	M1 Y5 K63 N67 L207	M1-Y3 HydrophobicContact CB-CE2 4.35Å; M1-Y3 HydrophobicContact CE-CD1 4.34Å; M1-Y3 HydrophobicContact CE-CE1 3.19Å; M1-Y3 WeakPolarHBondContact CE-OH 3.34Å; M1-Y3 HydrophobicContact CG-CD1 4.07Å; M1-Y3 HydrophobicContact CG-CD2 4.24Å; M1-Y3 HydrophobicContact CG-CE1 3.51Å; M1-Y3 HydrophobicContact CG-CE2 3.67Å; M1-Y3 HydrophobicContact CG-CG 4.47Å; M1-Y3 HydrophobicContact SD-CE1 3.83Å; M1-Y3 HydrophobicContact SD-CE2 4.27Å; M1-Y3 PolarHBondContact SD-OH 3.46Å; Y3-Y5 PolarHBondContact O-N 3.13Å; Y3-K63 HydrophobicContact CD2-CB 4.34Å; Y3-K63 HydrophobicContact CD2-CD 4.15Å; Y3-K63 HydrophobicContact CD2-CG 3.21Å; Y3-K63 HydrophobicContact CE2-CB 4.39Å; Y3-K63 HydrophobicContact CE2-CG 3.58Å; Y3-K63 HydrophobicContact CG-CD 4.18Å; Y3-K63 HydrophobicContact CG-CG 3.73Å; Y3-N67 WeakPolarHBondContact CB-OD1 3.44Å; Y3-N67 WeakPolarHBondContact CD2-OD1 3.31Å; Y3-N67 PolarHBondContact N-OD1 2.85Å; Y3-N67 PolarHBondContact O-ND2 3.44Å; Y3-N67 VanDerWaalsContact O-ND2 3.09Å; Y3-L207 HydrophobicContact CD1-CD1 3.14Å; Y3-L207 HydrophobicContact CD1-CD2 4.11Å; Y3-L207 HydrophobicContact CD1-CG 3.33Å; Y3-L207 HydrophobicContact CE1-CD1 3.32Å; Y3-L207 HydrophobicContact CE1-CD2 3.57Å; Y3-L207 HydrophobicContact CE1-CG 3.34Å; Y3-L207 HydrophobicContact CG-CD1 3.98Å
4	Y	30.6	Very low	31.5	Very low	217 Å²	217	90.4 Å²	90.4	85%	0.851	45%	0.445	S	S	*	.			trans	-67.5	117.3	169.6	-91	-86	0	0	0	110.1
5	Y	29.1	Very low	31.6	Very low	97 Å²	97	94.7 Å²	94.7	38%	0.38	46%	0.46	S	S	.	.			trans	-138	121.1	159.9	-101.6	-103.3	0	0	0	107.6	Y3 Y7 K208	Y3-Y5 PolarHBondContact O-N 3.13Å; Y5-Y7 VanDerWaalsContact C-N 3.31Å; Y5-Y7 HydrophobicContact CD1-CD2 4.47Å; Y5-Y7 HydrophobicContact CD1-CE2 4.32Å; Y5-Y7 HydrophobicContact CG-CE2 4.46Å; Y5-Y7 PolarHBondContact O-N 3.4Å; Y5-Y7 VanDerWaalsContact O-N 3.1Å; Y5-K208 HydrophobicContact CE2-CD 4.4Å; Y5-K208 WeakPolarHBondContact OH-CE 3.43Å; Y5-K208 PolarHBondContact OH-NZ 2.86Å; Y5-K208 VanDerWaalsContact OH-NZ 3.1Å
6	R	27.2	Very low	31.4	Very low	249 Å²	249	94.1 Å²	94.1	94%	0.94	48%	0.475	S	S	*	.			trans	-72.5	92.9	158.5	-163.4	178.1	-163.3	-177.5	4.5	105.7	S8	R6-S8 PolarHBondContact O-N 3.06Å
7	Y	30.7	Very low	31.3	Very low	83 Å²	83	98.2 Å²	98.2	33%	0.325	50%	0.498	S	S	.	.			trans	-76.9	101.4	176	-111.4	-74.1	0	0	0	108.1	Y5 R60	Y5-Y7 VanDerWaalsContact C-N 3.31Å; Y5-Y7 HydrophobicContact CD1-CD2 4.47Å; Y5-Y7 HydrophobicContact CD1-CE2 4.32Å; Y5-Y7 HydrophobicContact CG-CE2 4.46Å; Y5-Y7 PolarHBondContact O-N 3.4Å; Y5-Y7 VanDerWaalsContact O-N 3.1Å; Y7-R60 VanDerWaalsContact CD1-NH2 3.27Å; Y7-R60 VanDerWaalsContact CE1-NH1 3.34Å; Y7-R60 VanDerWaalsContact OH-CZ 3.28Å; Y7-R60 PolarHBondContact OH-NE 3.26Å; Y7-R60 PolarHBondContact OH-NH1 3.19Å
8	S	27.5	Very low	31.2	Very low	105 Å²	105	100.8 Å²	100.8	73%	0.734	51%	0.508	S	S	*	.			trans	-66.8	130.8	151	-77	0	0	0	0	106.7	R6 P10	R6-S8 PolarHBondContact O-N 3.06Å; S8-P10 WeakPolarHBondContact O-CD 3.39Å
9	N	30.3	Very low	31.4	Very low	105 Å²	105	101.9 Å²	101.9	56%	0.561	53%	0.525	S	S	*	.			trans	-95.3	101.5	-173	-146.3	17	0	0	0	108.6
10	P	30.4	Very low	31.4	Very low	59 Å²	59	104.4 Å²	104.4	38%	0.383	54%	0.54	S	S	.	.			trans	-84.5	142.3	159.1	35.1	-30.7	0	0	0	108.3	S8 I12	S8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-I12 WeakPolarHBondContact O-CG1 3.37Å; P10-I12 PolarHBondContact O-N 2.73Å
11	S	29.6	Very low	31.1	Very low	102 Å²	102	106.9 Å²	106.9	71%	0.713	55%	0.554	S	S	*	*			trans	-50.7	128.2	174.8	-170	0	0	0	0	110.5
12	I	37.8	Very low	30.7	Very low	42 Å²	42	111.9 Å²	111.9	22%	0.215	58%	0.582	C	S	.	*			trans	-111.7	114.3	-179.5	-56.3	179.5	0	0	0	109	P10 L52 L84	P10-I12 WeakPolarHBondContact O-CG1 3.37Å; P10-I12 PolarHBondContact O-N 2.73Å; I12-L52 HydrophobicContact CG2-CB 4.15Å; I12-L52 HydrophobicContact CG2-CD2 4.47Å; I12-L84 HydrophobicContact CG2-CD1 4.26Å
13	A	28.1	Very low	30.6	Very low	36 Å²	36	118.8 Å²	118.8	30%	0.298	62%	0.619	S	S	.	*			trans	-100.2	132.1	165.9	0	0	0	0	0	110.3	E49	A13-E49 HydrophobicContact CB-CG 4.17Å; A13-E49 VanDerWaalsContact CB-OE1 3.3Å; A13-E49 WeakPolarHBondContact CB-OE1 3.36Å
14	L	31.3	Very low	30.5	Very low	65 Å²	65	125 Å²	125	34%	0.34	65%	0.653	S	S	.	*			trans	-93	104.9	172.6	-155.7	99.4	0	0	0	108.4	A16 L52 L57 L84	L14-A16 PolarHBondContact O-N 3.2Å; L14-L52 WeakPolarHBondContact CD1-O 3.16Å; L14-L57 HydrophobicContact CD1-CD2 4.32Å; L14-L84 HydrophobicContact CB-CD2 4.02Å
15	K	32.7	Very low	30.6	Very low	156 Å²	156	117.4 Å²	117.4	68%	0.678	64%	0.64	S	S	*	*			trans	-79.8	118.1	166.4	-86.3	-179	179.3	167.7	0	109.1	L17 L51	K15-L17 PolarHBondContact O-N 3.32Å; K15-L51 HydrophobicContact CB-CD2 4Å
16	A	28.5	Very low	30.7	Very low	84 Å²	84	119 Å²	119	69%	0.694	66%	0.661	S	S	*	*			trans	-61.3	107.9	174	0	0	0	0	0	110.2	L14 H18	L14-A16 PolarHBondContact O-N 3.2Å; A16-H18 VanDerWaalsContact C-N 3.32Å; A16-H18 PolarHBondContact O-N 3.02Å
17	L	29.8	Very low	31.2	Very low	165 Å²	165	113.7 Å²	113.7	86%	0.864	66%	0.656	S	S	*	*			trans	-77.5	86.5	169.1	-80.8	168.1	0	0	0	109.4	K15	K15-L17 PolarHBondContact O-N 3.32Å
18	H	30.6	Very low	31.6	Very low	145 Å²	145	113.3 Å²	113.3	67%	0.671	68%	0.677	S	S	*	*			trans	-107.5	102.5	150.1	-73.7	107.7	0	0	0	107.7	A16	A16-H18 VanDerWaalsContact C-N 3.32Å; A16-H18 PolarHBondContact O-N 3.02Å
19	S	34.7	Very low	32.3	Very low	121 Å²	121	114.1 Å²	114.1	85%	0.846	68%	0.68	S	S	*	*			trans	-145.8	134.3	150.6	-150.2	0	0	0	0	111.2
20	N	30.2	Very low	32.8	Very low	152 Å²	152	117.5 Å²	117.5	81%	0.813	70%	0.697	S	S	*	*			trans	-57.2	133.3	-164.2	-81.6	-41	0	0	0	115	N22	N20-N22 PolarHBondContact O-N 2.9Å
21	N	26.7	Very low	33.6	Very low	156 Å²	156	118.8 Å²	118.8	83%	0.834	71%	0.713	S	S	*	*			trans	-78.8	106.5	147	-97	-18.9	0	0	0	108.2
22	N	30.5	Very low	34.2	Very low	151 Å²	151	120.2 Å²	120.2	81%	0.807	72%	0.719	S	S	*	*			trans	-176.6	97.5	149.2	-88.2	-22.2	0	0	0	109.5	N20	N20-N22 PolarHBondContact O-N 2.9Å
23	N	33.9	Very low	34.6	Very low	168 Å²	168	125 Å²	125	90%	0.898	75%	0.745	S	S	*	*				-160.5	137.4	123.6	-130.7	-2.9	0	0	0	112.9
24	I	30.2	Very low	35.3	Very low	167 Å²	167	129.9 Å²	129.9	86%	0.856	77%	0.766	S	S	*	*			trans	-95.4	138.5	179	-71.1	162.7	0	0	0	107.7
25	G	33.5	Very low	36	Very low	57 Å²	57	133.8 Å²	133.8	59%	0.588	79%	0.787	S	S	*	*			trans	144.7	98.3	158.4	0	0	0	0	0	117
26	T	31.1	Very low	36.7	Very low	132 Å²	132	135.6 Å²	135.6	81%	0.81	80%	0.798	S	S	*	*				37.2	124.4	128.2	68.6	0	0	0	0	117.9
27	T	38.2	Very low	37.2	Very low	136 Å²	136	137.8 Å²	137.8	83%	0.834	80%	0.797	S	S	*	*				-175.8	141.2	50.6	44.2	0	0	0	0	111.1
28	G	39	Very low	37.7	Very low	76 Å²	76	137.7 Å²	137.7	78%	0.784	80%	0.795	S	S	*	*			trans	98.4	130.4	145.9	0	0	0	0	0	118.6
29	P	41.1	Very low	37.7	Very low	121 Å²	121	134.1 Å²	134.1	79%	0.786	80%	0.798	S	S	*	*			trans	-100	136.8	171.4	35.8	-26.4	0	0	0	111.7
30	L	41.3	Very low	37.5	Very low	176 Å²	176	136.2 Å²	136.2	92%	0.921	80%	0.799	S	S	*	*			trans	176.2	99.9	159.6	-92.1	141.2	0	0	0	106.2
31	A	47.6	Very low	37.5	Very low	87 Å²	87	133.7 Å²	133.7	72%	0.719	79%	0.794	S	S	*	*				118.9	141.8	81	0	0	0	0	0	106.8
32	P	41.4	Very low	38	Very low	131 Å²	131	134.8 Å²	134.8	85%	0.851	80%	0.8	S	S	*	*			trans	-78.2	138.9	-164.3	-3.5	21.2	0	0	0	112
33	D	47.2	Very low	38.4	Very low	142 Å²	142	135.4 Å²	135.4	76%	0.759	80%	0.798	S	S	*	*			trans	-85	154.4	-178.8	-150.3	-6.7	0	0	0	112.5	D35	D33-D35 VanDerWaalsContact C-N 3.26Å; D33-D35 PolarHBondContact O-N 3.1Å
34	L	42.1	Very low	38.3	Very low	140 Å²	140	135.9 Å²	135.9	73%	0.733	80%	0.795	S	S	*	*	S	Bend	trans	-79.1	34.2	-158.7	-128	83.8	0	0	0	115.1	E36	L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 3.21Å
35	D	46.2	Very low	38.3	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	6.8	-177.8	-70.8	-26.3	0	0	0	113.8	D33 I37	D33-D35 VanDerWaalsContact C-N 3.26Å; D33-D35 PolarHBondContact O-N 3.1Å; D35-I37 PolarHBondContact O-N 3.19Å
36	E	46.8	Very low	38.2	Very low	194 Å²	194	140.7 Å²	140.7	91%	0.907	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	9	175.2	-146.4	175.8	-161.2	0	0	113.3	L34	L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 3.21Å
37	I	38.8	Very low	38.5	Very low	130 Å²	130	139.5 Å²	139.5	67%	0.667	80%	0.8	S	S	*	*	S	Bend	trans	-140.9	73.3	-177.3	-51.6	178	0	0	0	110.8	D35	D35-I37 PolarHBondContact O-N 3.19Å
38	I	41.6	Very low	38.5	Very low	162 Å²	162	140.3 Å²	140.3	83%	0.831	80%	0.8	S	S	*	*			trans	178.3	127.2	139.5	-86.8	146.3	0	0	0	108.3
39	G	29.8	Very low	39	Very low	70 Å²	70	141.3 Å²	141.3	72%	0.722	78%	0.784	S	S	*	*			trans	-77.2	-177.4	-179.4	0	0	0	0	0	115.3
40	D	29.8	Very low	39.8	Very low	165 Å²	165	140.9 Å²	140.9	88%	0.882	77%	0.772	S	S	*	*			trans	96.1	80	169.6	-149.6	30.4	0	0	0	115.7
41	S	31.8	Very low	40.9	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	76%	0.758	S	S	*	*			trans	163.9	92.8	131.2	44.4	0	0	0	0	109.8
42	D	36.6	Very low	42.5	Very low	178 Å²	178	135 Å²	135	95%	0.952	73%	0.728	S	S	*	*			trans	-105.9	112.9	159.7	-89.2	-21.4	0	0	0	108.5
43	E	38.6	Very low	44.8	Very low	164 Å²	164	132 Å²	132	77%	0.766	71%	0.707	S	S	*	*			trans	-66.3	154.2	-168.9	-60.9	-174.2	150.9	0	0	113.5
44	E	31.8	Very low	46.9	Very low	179 Å²	179	127.4 Å²	127.4	84%	0.836	69%	0.687	S	S	*	*	S	Bend	trans	-50.2	131.3	173.3	-54.9	177.2	156	0	0	113.2	Q46	E44-Q46 PolarHBondContact O-N 3.05Å; E44-Q46 VanDerWaalsContact O-N 3.08Å
45	N	31.1	Very low	49.3	Very low	165 Å²	165	124.2 Å²	124.2	88%	0.882	68%	0.68	S	S	*	*			trans	35.2	63.2	144.9	-75.6	-40.8	0	0	0	117.1	S47	N45-S47 PolarHBondContact O-N 3.06Å
46	Q	31.1	Very low	51.6	Low	160 Å²	160	121.8 Å²	121.8	75%	0.748	66%	0.664	S	S	*	*			trans	-78.9	103.9	153.3	-82.2	176.3	19.4	0	0	107.8	E44 D48	E44-Q46 PolarHBondContact O-N 3.05Å; E44-Q46 VanDerWaalsContact O-N 3.08Å; Q46-D48 PolarHBondContact O-N 3.4Å
47	S	36.1	Very low	53.8	Low	106 Å²	106	112.5 Å²	112.5	74%	0.741	62%	0.621	S	S	*	*			trans	-49.9	110	158.9	51.5	0	0	0	0	107.6	N45 E49	N45-S47 PolarHBondContact O-N 3.06Å; S47-E49 PolarHBondContact O-N 2.94Å
48	D	39.4	Very low	56.6	Low	153 Å²	153	108 Å²	108	82%	0.818	60%	0.598	S	S	*	*			trans	-56.5	87.7	174.9	-78.9	-35.5	0	0	0	109.3	Q46 E50	Q46-D48 PolarHBondContact O-N 3.4Å; D48-E50 VanDerWaalsContact C-N 3.31Å; D48-E50 PolarHBondContact O-N 3.27Å
49	E	49.4	Very low	59.1	Low	98 Å²	98	108 Å²	108	46%	0.458	59%	0.592	S	S	.	*			trans	-72.9	91.7	173.3	-155.6	172.2	-142.6	0	0	105.6	A13 S47 L51	A13-E49 HydrophobicContact CB-CG 4.17Å; A13-E49 VanDerWaalsContact CB-OE1 3.3Å; A13-E49 WeakPolarHBondContact CB-OE1 3.36Å; S47-E49 PolarHBondContact O-N 2.94Å; E49-L51 PolarHBondContact O-N 2.8Å
50	E	56.9	Low	62.2	Low	112 Å²	112	105.7 Å²	105.7	52%	0.523	56%	0.561	S	S	.	*			trans	-53.8	99.7	-175.9	-170.3	179.1	-174.7	0	0	109.8	D48 L52	D48-E50 VanDerWaalsContact C-N 3.31Å; D48-E50 PolarHBondContact O-N 3.27Å; E50-L52 PolarHBondContact O-N 3.47Å
51	L	65.6	Low	65.4	Low	120 Å²	120	97.9 Å²	97.9	63%	0.628	52%	0.519	S	S	*	.			trans	-65.7	94.7	179.3	-87.5	160.5	0	0	0	109.5	K15 E49 T53	K15-L51 HydrophobicContact CB-CD2 4Å; E49-L51 PolarHBondContact O-N 2.8Å; L51-T53 PolarHBondContact O-N 3.49Å
52	L	79.6	Confident	68.5	Low	19 Å²	19	96.2 Å²	96.2	10%	0.099	50%	0.498	C	S	.	.			trans	-79.6	117.4	-179.7	-166.6	70.9	0	0	0	110.5	I12 L14 E50 E56 L57	I12-L52 HydrophobicContact CG2-CB 4.15Å; I12-L52 HydrophobicContact CG2-CD2 4.47Å; L14-L52 WeakPolarHBondContact CD1-O 3.16Å; E50-L52 PolarHBondContact O-N 3.47Å; L52-E56 HydrophobicContact CD1-CB 3.58Å; L52-E56 HydrophobicContact CG-CB 4.21Å; L52-L57 HydrophobicContact CD2-CB 3.79Å; L52-L57 HydrophobicContact CD2-CD1 3.83Å; L52-L57 HydrophobicContact CD2-CG 4.4Å; L52-L57 HydrophobicContact CG-CB 4.13Å
53	T	91	Very high	71.3	Confident	68 Å²	68	89.2 Å²	89.2	42%	0.417	46%	0.459	S	S	.	.			trans	-71.1	156	173.5	64.9	0	0	0	0	111.4	L51 A55 E56 L57	L51-T53 PolarHBondContact O-N 3.49Å; T53-A55 PolarHBondContact O-N 2.96Å; T53-E56 WeakPolarHBondContact CB-OE2 3.3Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.42Å; T53-E56 PolarHBondContact N-OE2 2.91Å; T53-E56 PolarHBondContact O-N 3.3Å; T53-E56 VanDerWaalsContact O-N 3.07Å; T53-E56 WeakPolarHBondContact OG1-CB 3.49Å; T53-E56 VanDerWaalsContact OG1-CG 3.23Å; T53-E56 WeakPolarHBondContact OG1-CG 3.34Å; T53-E56 PolarHBondContact OG1-N 2.95Å; T53-E56 PolarHBondContact OG1-OE2 3.38Å; T53-L57 WeakPolarHBondContact O-CB 3.37Å; T53-L57 PolarHBondContact O-N 3.07Å
54	S	90.5	Very high	74	Confident	46 Å²	46	81.9 Å²	81.9	32%	0.322	43%	0.426	S	S	.	.	H	α-helix	trans	-55.9	-35	175.8	-58.6	0	0	0	0	112.8	L58 E88	S54-L58 WeakPolarHBondContact O-CG 3.44Å; S54-L58 PolarHBondContact O-N 3.26Å; S54-E88 WeakPolarHBondContact CB-OE1 3.38Å; S54-E88 WeakPolarHBondContact CB-OE2 3.45Å; S54-E88 VanDerWaalsContact OG-CD 3.31Å; S54-E88 PolarHBondContact OG-OE1 2.96Å; S54-E88 PolarHBondContact OG-OE2 3.43Å
55	A	92.2	Very high	77.1	Confident	73 Å²	73	75.2 Å²	75.2	60%	0.603	39%	0.393	S	S	*	.	H	α-helix	trans	-67.3	-42.5	177.1	0	0	0	0	0	112.2	T53 K59	T53-A55 PolarHBondContact O-N 2.96Å; A55-K59 WeakPolarHBondContact O-CB 3.43Å; A55-K59 PolarHBondContact O-N 3.14Å
56	E	94.3	Very high	80.3	Confident	95 Å²	95	70.6 Å²	70.6	44%	0.444	37%	0.366	S	S	.	.	H	α-helix	trans	-69.7	-38.7	176.8	-70.8	159.8	158.3	0	0	111.9	L52 T53 K59 R60	L52-E56 HydrophobicContact CD1-CB 3.58Å; L52-E56 HydrophobicContact CG-CB 4.21Å; T53-E56 WeakPolarHBondContact CB-OE2 3.3Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.42Å; T53-E56 PolarHBondContact N-OE2 2.91Å; T53-E56 PolarHBondContact O-N 3.3Å; T53-E56 VanDerWaalsContact O-N 3.07Å; T53-E56 WeakPolarHBondContact OG1-CB 3.49Å; T53-E56 VanDerWaalsContact OG1-CG 3.23Å; T53-E56 WeakPolarHBondContact OG1-CG 3.34Å; T53-E56 PolarHBondContact OG1-N 2.95Å; T53-E56 PolarHBondContact OG1-OE2 3.38Å; E56-K59 PolarHBondContact O-N 3.32Å; E56-R60 WeakPolarHBondContact O-CB 3.41Å; E56-R60 PolarHBondContact O-N 3.46Å
57	L	94.8	Very high	83.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-55.5	-53.2	172.9	173	61.4	0	0	0	111	L14 L52 T53 K59 R60 F61 L81 L84 I85 E88	L14-L57 HydrophobicContact CD1-CD2 4.32Å; L52-L57 HydrophobicContact CD2-CB 3.79Å; L52-L57 HydrophobicContact CD2-CD1 3.83Å; L52-L57 HydrophobicContact CD2-CG 4.4Å; L52-L57 HydrophobicContact CG-CB 4.13Å; T53-L57 WeakPolarHBondContact O-CB 3.37Å; T53-L57 PolarHBondContact O-N 3.07Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 2.97Å; L57-R60 PolarHBondContact O-N 2.6Å; L57-F61 PolarHBondContact O-N 3.01Å; L57-L81 HydrophobicContact CD1-CD1 3.4Å; L57-L81 VanDerWaalsContact CD1-CD1 3.4Å; L57-L81 HydrophobicContact CD1-CG 4.18Å; L57-L84 HydrophobicContact CD1-CB 3.82Å; L57-L84 HydrophobicContact CD1-CD1 4.24Å; L57-L84 HydrophobicContact CD2-CB 3.89Å; L57-I85 HydrophobicContact CD1-CD1 4.01Å; L57-I85 HydrophobicContact CD1-CG1 4.11Å; L57-I85 HydrophobicContact CD2-CD1 4.24Å; L57-I85 HydrophobicContact CG-CD1 3.67Å; L57-I85 HydrophobicContact CG-CG1 4.25Å; L57-E88 HydrophobicContact CD2-CB 4.35Å
58	L	95.6	Very high	86.3	Confident	34 Å²	34	58.8 Å²	58.8	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-44.5	177	-71.9	174.1	0	0	0	111.3	S54 R60 F61 Y62 I85 I116	S54-L58 WeakPolarHBondContact O-CG 3.44Å; S54-L58 PolarHBondContact O-N 3.26Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 3.28Å; L58-F61 WeakPolarHBondContact O-CA 3.37Å; L58-F61 WeakPolarHBondContact O-CB 3.38Å; L58-F61 PolarHBondContact O-N 2.93Å; L58-F61 VanDerWaalsContact O-N 3.07Å; L58-Y62 HydrophobicContact CB-CD2 4.46Å; L58-Y62 HydrophobicContact CB-CE2 4.2Å; L58-Y62 WeakPolarHBondContact O-CD2 3.47Å; L58-Y62 PolarHBondContact O-N 3.39Å; L58-I85 HydrophobicContact CD2-CD1 3.76Å; L58-I116 HydrophobicContact CD1-CD1 4.06Å; L58-I116 HydrophobicContact CD2-CD1 3.73Å; L58-I116 HydrophobicContact CD2-CG1 3.85Å; L58-I116 HydrophobicContact CD2-CG2 3.9Å
59	K	95.1	Very high	89	Confident	163 Å²	163	56.9 Å²	56.9	71%	0.709	28%	0.284	S	S	*	.	H	α-helix	trans	-58.8	-43.1	177.8	-173.5	179.2	-179.3	-178.6	0	112	A55 E56 L57 F61 K63	A55-K59 WeakPolarHBondContact O-CB 3.43Å; A55-K59 PolarHBondContact O-N 3.14Å; E56-K59 PolarHBondContact O-N 3.32Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 2.97Å; K59-F61 VanDerWaalsContact C-N 3.32Å; K59-K63 PolarHBondContact O-N 3.44Å; K59-K63 VanDerWaalsContact O-N 3.15Å
60	R	94.5	Very high	91.3	Very high	21 Å²	21	55.4 Å²	55.4	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-38.8	174.8	-173.4	172.2	173	172.5	-6	111.1	Y7 E56 L57 L58 K63 I64 L81	Y7-R60 VanDerWaalsContact CD1-NH2 3.27Å; Y7-R60 VanDerWaalsContact CE1-NH1 3.34Å; Y7-R60 VanDerWaalsContact OH-CZ 3.28Å; Y7-R60 PolarHBondContact OH-NE 3.26Å; Y7-R60 PolarHBondContact OH-NH1 3.19Å; E56-R60 WeakPolarHBondContact O-CB 3.41Å; E56-R60 PolarHBondContact O-N 3.46Å; L57-R60 PolarHBondContact O-N 2.6Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 3.28Å; R60-K63 VanDerWaalsContact O-CB 3.31Å; R60-K63 WeakPolarHBondContact O-CB 3.49Å; R60-K63 PolarHBondContact O-N 2.98Å; R60-I64 PolarHBondContact O-N 3.47Å; R60-L81 HydrophobicContact CG-CD1 4.21Å; R60-L81 HydrophobicContact CG-CD2 4.01Å
61	F	96.8	Very high	93.1	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-47.3	176.5	-170.8	-122.2	0	0	0	113.2	L57 L58 K59 K63 I64 W65 L81 L82 I85 I119 M120 Y123	L57-F61 PolarHBondContact O-N 3.01Å; L58-F61 WeakPolarHBondContact O-CA 3.37Å; L58-F61 WeakPolarHBondContact O-CB 3.38Å; L58-F61 PolarHBondContact O-N 2.93Å; L58-F61 VanDerWaalsContact O-N 3.07Å; K59-F61 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 2.99Å; F61-I64 HydrophobicContact CD2-CD1 3.81Å; F61-I64 HydrophobicContact CD2-CG1 3.94Å; F61-I64 HydrophobicContact CE2-CD1 4.06Å; F61-I64 HydrophobicContact CE2-CG1 4.44Å; F61-I64 WeakPolarHBondContact O-CG1 3.41Å; F61-I64 PolarHBondContact O-N 3Å; F61-W65 WeakPolarHBondContact O-CB 3.44Å; F61-W65 PolarHBondContact O-N 3.04Å; F61-L81 HydrophobicContact CD2-CD2 4.25Å; F61-L82 HydrophobicContact CE2-CD1 3.84Å; F61-L82 HydrophobicContact CZ-CD1 4.02Å; F61-I85 HydrophobicContact CB-CD1 3.46Å; F61-I85 VanDerWaalsContact CB-CD1 3.46Å; F61-I85 HydrophobicContact CB-CG1 3.83Å; F61-I85 HydrophobicContact CD1-CD1 3.99Å; F61-I85 HydrophobicContact CD1-CG1 4.12Å; F61-I85 HydrophobicContact CD1-CG2 4.02Å; F61-I85 HydrophobicContact CD2-CD1 4.4Å; F61-I85 HydrophobicContact CD2-CG1 3.86Å; F61-I85 HydrophobicContact CE1-CG2 3.95Å; F61-I85 HydrophobicContact CE2-CG1 4.47Å; F61-I85 HydrophobicContact CG-CD1 3.71Å; F61-I85 HydrophobicContact CG-CG1 3.67Å; F61-I85 HydrophobicContact CG-CG2 4.4Å; F61-I85 HydrophobicContact CZ-CG2 4.31Å; F61-I119 HydrophobicContact CD1-CG2 4.02Å; F61-I119 HydrophobicContact CE1-CB 4.24Å; F61-I119 HydrophobicContact CE1-CG2 3.66Å; F61-I119 HydrophobicContact CZ-CG2 4.48Å; F61-M120 HydrophobicContact CE1-CB 3.99Å; F61-M120 HydrophobicContact CZ-CB 3.9Å; F61-M120 HydrophobicContact CZ-CG 4.09Å; F61-Y123 HydrophobicContact CE2-CD1 4.23Å; F61-Y123 HydrophobicContact CZ-CD1 4.48Å
62	Y	96.5	Very high	94.5	Very high	65 Å²	65	46.5 Å²	46.5	26%	0.255	24%	0.238	S	C	.	.	H	α-helix	trans	-53.8	-41.7	173.2	-78.3	-70.7	0	0	0	111.8	L58 W65 Q66 I119	L58-Y62 HydrophobicContact CB-CD2 4.46Å; L58-Y62 HydrophobicContact CB-CE2 4.2Å; L58-Y62 WeakPolarHBondContact O-CD2 3.47Å; L58-Y62 PolarHBondContact O-N 3.39Å; Y62-W65 HydrophobicContact CD1-CE3 4.18Å; Y62-W65 HydrophobicContact CD1-CZ3 4.26Å; Y62-W65 PolarHBondContact O-N 3.46Å; Y62-Q66 WeakPolarHBondContact O-CB 3.5Å; Y62-Q66 WeakPolarHBondContact O-CG 3.49Å; Y62-Q66 PolarHBondContact O-N 3.22Å; Y62-I119 HydrophobicContact CD1-CD1 3.9Å; Y62-I119 HydrophobicContact CE1-CD1 3.07Å; Y62-I119 HydrophobicContact CE1-CG1 4.12Å; Y62-I119 VanDerWaalsContact CZ-CD1 3.49Å; Y62-I119 WeakPolarHBondContact OH-CD1 3.36Å
63	K	95.2	Very high	95.3	Very high	31 Å²	31	47.9 Å²	47.9	14%	0.135	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-48.5	179.8	-165.9	-174.9	178.1	178	0	112.1	Y3 K59 R60 F61 W65 Q66 N67 L207	Y3-K63 HydrophobicContact CD2-CB 4.34Å; Y3-K63 HydrophobicContact CD2-CD 4.15Å; Y3-K63 HydrophobicContact CD2-CG 3.21Å; Y3-K63 HydrophobicContact CE2-CB 4.39Å; Y3-K63 HydrophobicContact CE2-CG 3.58Å; Y3-K63 HydrophobicContact CG-CD 4.18Å; Y3-K63 HydrophobicContact CG-CG 3.73Å; K59-K63 PolarHBondContact O-N 3.44Å; K59-K63 VanDerWaalsContact O-N 3.15Å; R60-K63 VanDerWaalsContact O-CB 3.31Å; R60-K63 WeakPolarHBondContact O-CB 3.49Å; R60-K63 PolarHBondContact O-N 2.98Å; F61-K63 PolarHBondContact O-N 2.99Å; K63-W65 VanDerWaalsContact C-N 3.32Å; K63-W65 PolarHBondContact O-N 2.94Å; K63-Q66 PolarHBondContact O-N 2.95Å; K63-N67 WeakPolarHBondContact O-CB 3.35Å; K63-N67 VanDerWaalsContact O-CG 3.25Å; K63-N67 PolarHBondContact O-N 3.41Å; K63-L207 HydrophobicContact CD-CD1 4.48Å
64	I	96.3	Very high	95.6	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-36.1	179.6	65.6	155.1	0	0	0	111.5	R60 F61 N67 E68 H78 L81 Y123	R60-I64 PolarHBondContact O-N 3.47Å; F61-I64 HydrophobicContact CD2-CD1 3.81Å; F61-I64 HydrophobicContact CD2-CG1 3.94Å; F61-I64 HydrophobicContact CE2-CD1 4.06Å; F61-I64 HydrophobicContact CE2-CG1 4.44Å; F61-I64 WeakPolarHBondContact O-CG1 3.41Å; F61-I64 PolarHBondContact O-N 3Å; I64-N67 PolarHBondContact O-N 3.4Å; I64-E68 WeakPolarHBondContact O-CB 3.41Å; I64-E68 PolarHBondContact O-N 2.66Å; I64-H78 HydrophobicContact CD1-CB 3.82Å; I64-L81 HydrophobicContact CD1-CD2 3.6Å; I64-L81 HydrophobicContact CG1-CD2 4.03Å; I64-L81 HydrophobicContact CG2-CD2 4.39Å; I64-Y123 HydrophobicContact CD1-CE1 4.28Å; I64-Y123 HydrophobicContact CD1-CE2 4.16Å
65	W	97.8	Very high	95.9	Very high	39 Å²	39	45.2 Å²	45.2	15%	0.148	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-47.3	175.9	163.8	63.6	0	0	0	111.8	F61 Y62 K63 N67 E68 K69 I119 D122 Y123	F61-W65 WeakPolarHBondContact O-CB 3.44Å; F61-W65 PolarHBondContact O-N 3.04Å; Y62-W65 HydrophobicContact CD1-CE3 4.18Å; Y62-W65 HydrophobicContact CD1-CZ3 4.26Å; Y62-W65 PolarHBondContact O-N 3.46Å; K63-W65 VanDerWaalsContact C-N 3.32Å; K63-W65 PolarHBondContact O-N 2.94Å; W65-N67 VanDerWaalsContact C-N 3.34Å; W65-N67 PolarHBondContact O-N 3.38Å; W65-E68 PolarHBondContact O-N 3.32Å; W65-K69 WeakPolarHBondContact O-CB 3.3Å; W65-K69 PolarHBondContact O-N 3.02Å; W65-I119 HydrophobicContact CB-CG2 3.93Å; W65-I119 HydrophobicContact CD2-CG2 3.65Å; W65-I119 HydrophobicContact CE3-CG2 3.9Å; W65-I119 HydrophobicContact CG-CG2 3.66Å; W65-D122 PolarHBondContact NE1-OD2 3.49Å; W65-Y123 HydrophobicContact CB-CD2 4.46Å
66	Q	97.1	Very high	96.1	Very high	68 Å²	68	44 Å²	44	32%	0.318	21%	0.212	S	C	.	.	H	α-helix	trans	-63.4	-40.6	177	-73.8	178.9	-36.1	0	0	112.3	Y62 K63 K69 L70	Y62-Q66 WeakPolarHBondContact O-CB 3.5Å; Y62-Q66 WeakPolarHBondContact O-CG 3.49Å; Y62-Q66 PolarHBondContact O-N 3.22Å; K63-Q66 PolarHBondContact O-N 2.95Å; Q66-K69 PolarHBondContact O-N 3.39Å; Q66-L70 WeakPolarHBondContact O-CG 3.49Å; Q66-L70 PolarHBondContact O-N 3.2Å
67	N	96.4	Very high	96.2	Very high	17 Å²	17	40 Å²	40	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-51.3	175.4	-79.7	-4.9	0	0	0	111.5	M1 I2 Y3 K63 I64 W65 K69 L70 A71 L75	M1-N67 PolarHBondContact O-OD1 2.84Å; I2-N67 VanDerWaalsContact CA-OD1 3.3Å; I2-N67 WeakPolarHBondContact CA-OD1 3.31Å; Y3-N67 WeakPolarHBondContact CB-OD1 3.44Å; Y3-N67 WeakPolarHBondContact CD2-OD1 3.31Å; Y3-N67 PolarHBondContact N-OD1 2.85Å; Y3-N67 PolarHBondContact O-ND2 3.44Å; Y3-N67 VanDerWaalsContact O-ND2 3.09Å; K63-N67 WeakPolarHBondContact O-CB 3.35Å; K63-N67 VanDerWaalsContact O-CG 3.25Å; K63-N67 PolarHBondContact O-N 3.41Å; I64-N67 PolarHBondContact O-N 3.4Å; W65-N67 VanDerWaalsContact C-N 3.34Å; W65-N67 PolarHBondContact O-N 3.38Å; N67-K69 VanDerWaalsContact C-N 3.27Å; N67-K69 PolarHBondContact O-N 3.4Å; N67-L70 PolarHBondContact O-N 2.93Å; N67-L70 VanDerWaalsContact O-N 3.14Å; N67-A71 WeakPolarHBondContact O-CB 3.3Å; N67-A71 PolarHBondContact O-N 3.48Å; N67-L75 HydrophobicContact CB-CD1 3.66Å
68	E	97.4	Very high	96.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-41.1	-179.1	-167.6	70.2	-112	0	0	111	I64 W65 L70 L75 Y123 I126 R127 K130	I64-E68 WeakPolarHBondContact O-CB 3.41Å; I64-E68 PolarHBondContact O-N 2.66Å; W65-E68 PolarHBondContact O-N 3.32Å; E68-L70 PolarHBondContact O-N 2.87Å; E68-L75 PolarHBondContact OE1-N 3.43Å; E68-Y123 HydrophobicContact CB-CD2 3.89Å; E68-Y123 HydrophobicContact CB-CE2 3.75Å; E68-Y123 HydrophobicContact CG-CD2 4.02Å; E68-Y123 HydrophobicContact CG-CE2 3.8Å; E68-I126 HydrophobicContact CG-CG2 3.89Å; E68-R127 HydrophobicContact CG-CG 3.58Å; E68-R127 IonicContact OE2-CZ 2.66Å; E68-R127 IonicContact OE2-NH1 3.46Å; E68-R127 PolarHBondContact OE2-NH1 3.31Å; E68-K130 VanDerWaalsContact O-CE 3.27Å; E68-K130 WeakPolarHBondContact O-CE 3.33Å; E68-K130 PolarHBondContact O-NZ 3.23Å; E68-K130 IonicContact OE1-NZ 3.6Å; E68-K130 PolarHBondContact OE1-NZ 3.24Å
69	K	96.4	Very high	96	Very high	112 Å²	112	43.3 Å²	43.3	49%	0.487	22%	0.216	S	C	.	.	H	α-helix	trans	-60.4	-30.5	178.6	-169	164.7	-171.2	153.7	0	113.8	W65 Q66 N67 D122 I126	W65-K69 WeakPolarHBondContact O-CB 3.3Å; W65-K69 PolarHBondContact O-N 3.02Å; Q66-K69 PolarHBondContact O-N 3.39Å; N67-K69 VanDerWaalsContact C-N 3.27Å; N67-K69 PolarHBondContact O-N 3.4Å; K69-D122 IonicContact NZ-OD2 3.74Å; K69-D122 PolarHBondContact NZ-OD2 2.91Å; K69-I126 HydrophobicContact CB-CD1 3.84Å; K69-I126 HydrophobicContact CD-CD1 4.12Å; K69-I126 HydrophobicContact CG-CD1 3.88Å
70	L	96	Very high	95.9	Very high	68 Å²	68	40.6 Å²	40.6	36%	0.356	21%	0.209	S	C	.	.	H	α-helix	trans	-106.5	-22.2	-171.6	-65.3	174.6	0	0	0	113.7	I2 Q66 N67 E68 V202	I2-L70 HydrophobicContact CD1-CB 4.24Å; I2-L70 HydrophobicContact CG1-CB 3.79Å; Q66-L70 WeakPolarHBondContact O-CG 3.49Å; Q66-L70 PolarHBondContact O-N 3.2Å; N67-L70 PolarHBondContact O-N 2.93Å; N67-L70 VanDerWaalsContact O-N 3.14Å; E68-L70 PolarHBondContact O-N 2.87Å; L70-V202 WeakPolarHBondContact O-CG1 3.33Å
71	A	96.2	Very high	95.9	Very high	8 Å²	8	40 Å²	40	7%	0.066	21%	0.208	C	C	.	.			trans	-68.4	133.3	177.3	0	0	0	0	0	111	I2 N67 V73 L75 K130	I2-A71 HydrophobicContact CD1-CB 4.1Å; N67-A71 WeakPolarHBondContact O-CB 3.3Å; N67-A71 PolarHBondContact O-N 3.48Å; A71-V73 PolarHBondContact O-N 3.05Å; A71-L75 HydrophobicContact CB-CD1 3.92Å; A71-L75 HydrophobicContact CB-CD2 3.71Å; A71-L75 HydrophobicContact CB-CG 3.82Å; A71-K130 VanDerWaalsContact O-CE 3.24Å; A71-K130 WeakPolarHBondContact O-CE 3.5Å; A71-K130 PolarHBondContact O-NZ 3.15Å
72	P	95.3	Very high	95.8	Very high	36 Å²	36	41.3 Å²	41.3	23%	0.234	22%	0.215	C	C	.	.	S	Bend	trans	-72.5	-20.7	175.7	30	-34.9	0	0	0	112.6	N197	P72-N197 WeakPolarHBondContact CB-O 3.36Å; P72-N197 WeakPolarHBondContact CG-O 3.4Å
73	V	95.8	Very high	95.7	Very high	49 Å²	49	40.3 Å²	40.3	30%	0.297	22%	0.224	S	C	.	.	S	Bend	trans	-103.6	158.3	178.7	-62.1	0	0	0	0	110.8	A71 L75 K130 P196	A71-V73 PolarHBondContact O-N 3.05Å; V73-L75 HydrophobicContact CG2-CD2 4.25Å; V73-K130 PolarHBondContact O-NZ 3.08Å; V73-P196 HydrophobicContact CG1-CB 3.92Å; V73-P196 HydrophobicContact CG1-CG 3.9Å
74	L	97.3	Very high	95.7	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.068	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-70.6	127.7	170.8	-175.8	69.1	0	0	0	108.9	R127 K130 I131 I138 H152 L153	L74-R127 HydrophobicContact CD1-CB 4.16Å; L74-R127 HydrophobicContact CD1-CG 4.12Å; L74-K130 HydrophobicContact CB-CD 4.46Å; L74-K130 HydrophobicContact CD1-CB 4.14Å; L74-K130 HydrophobicContact CD1-CD 4.15Å; L74-I131 HydrophobicContact CD1-CG1 4.39Å; L74-I131 HydrophobicContact CD2-CD1 4.32Å; L74-I131 HydrophobicContact CD2-CG1 3.84Å; L74-I138 HydrophobicContact CB-CD1 4.18Å; L74-I138 HydrophobicContact CD2-CD1 3.98Å; L74-I138 HydrophobicContact CD2-CG1 4.42Å; L74-I138 HydrophobicContact CD2-CG2 3.88Å; L74-H152 HydrophobicContact CD2-CB 4.47Å; L74-L153 HydrophobicContact CD2-CD2 3.66Å; L74-L153 HydrophobicContact CD2-CG 4.35Å
75	L	96.8	Very high	95.8	Very high	45 Å²	45	39.9 Å²	39.9	24%	0.236	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-86.6	168.1	178.3	-57.1	179.6	0	0	0	111.4	N67 E68 A71 V73 A77 R127	N67-L75 HydrophobicContact CB-CD1 3.66Å; E68-L75 PolarHBondContact OE1-N 3.43Å; A71-L75 HydrophobicContact CB-CD1 3.92Å; A71-L75 HydrophobicContact CB-CD2 3.71Å; A71-L75 HydrophobicContact CB-CG 3.82Å; V73-L75 HydrophobicContact CG2-CD2 4.25Å; L75-A77 PolarHBondContact O-N 2.93Å; L75-R127 PolarHBondContact O-NH1 3.39Å
76	T	96.5	Very high	95.7	Very high	48 Å²	48	41.5 Å²	41.5	29%	0.294	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-48.4	138	172.9	-52.2	0	0	0	0	111.9	H78 P151	T76-H78 PolarHBondContact O-CD2 3.39Å; T76-P151 WeakPolarHBondContact CG2-O 3.4Å
77	A	95.7	Very high	95.7	Very high	11 Å²	11	40.7 Å²	40.7	9%	0.091	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-70.5	141.6	175.5	0	0	0	0	0	111	L75 P151 T154	L75-A77 PolarHBondContact O-N 2.93Å; A77-P151 PolarHBondContact N-O 3.38Å; A77-T154 HydrophobicContact CB-CG2 3.99Å
78	H	94.6	Very high	95.6	Very high	44 Å²	44	41.6 Å²	41.6	20%	0.204	24%	0.241	C	C	.	.			trans	-122	55.9	177.9	-65.5	-63.5	0	0	0	110.8	I64 T76 D80 L81 L82	I64-H78 HydrophobicContact CD1-CB 3.82Å; T76-H78 PolarHBondContact O-CD2 3.39Å; H78-D80 VanDerWaalsContact C-N 3.3Å; H78-D80 PolarHBondContact O-N 2.93Å; H78-L81 HydrophobicContact CB-CB 4.07Å; H78-L81 PolarHBondContact O-N 2.97Å; H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 PolarHBondContact O-N 3.3Å
79	S	92.9	Very high	95.6	Very high	58 Å²	58	41.7 Å²	41.7	41%	0.406	24%	0.242	S	C	.	.	H	α-helix	trans	-54	-45.3	-178.1	49.2	0	0	0	0	112.6	L81 L82 G83	S79-L81 PolarHBondContact O-N 3.48Å; S79-L82 WeakPolarHBondContact O-CB 3.21Å; S79-L82 PolarHBondContact O-N 3.07Å; S79-G83 PolarHBondContact O-N 3.46Å
80	D	92.3	Very high	95.6	Very high	106 Å²	106	40.4 Å²	40.4	57%	0.567	24%	0.24	S	C	*	.	H	α-helix	trans	-66.9	-44.6	-175	-51	-22.1	0	0	0	110.4	H78 L82 G83 L84	H78-D80 VanDerWaalsContact C-N 3.3Å; H78-D80 PolarHBondContact O-N 2.93Å; D80-L82 VanDerWaalsContact C-N 3.27Å; D80-L82 PolarHBondContact O-N 3.45Å; D80-G83 PolarHBondContact O-N 2.99Å; D80-L84 WeakPolarHBondContact O-CG 3.35Å; D80-L84 PolarHBondContact O-N 3.28Å
81	L	93.6	Very high	95.7	Very high	10 Å²	10	41 Å²	41	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-40	175.2	-165.8	75.8	0	0	0	111.2	L57 R60 F61 I64 H78 S79 L84 I85	L57-L81 HydrophobicContact CD1-CD1 3.4Å; L57-L81 VanDerWaalsContact CD1-CD1 3.4Å; L57-L81 HydrophobicContact CD1-CG 4.18Å; R60-L81 HydrophobicContact CG-CD1 4.21Å; R60-L81 HydrophobicContact CG-CD2 4.01Å; F61-L81 HydrophobicContact CD2-CD2 4.25Å; I64-L81 HydrophobicContact CD1-CD2 3.6Å; I64-L81 HydrophobicContact CG1-CD2 4.03Å; I64-L81 HydrophobicContact CG2-CD2 4.39Å; H78-L81 HydrophobicContact CB-CB 4.07Å; H78-L81 PolarHBondContact O-N 2.97Å; S79-L81 PolarHBondContact O-N 3.48Å; L81-L84 PolarHBondContact O-N 2.93Å; L81-I85 VanDerWaalsContact O-CG1 3.22Å; L81-I85 WeakPolarHBondContact O-CG1 3.4Å; L81-I85 PolarHBondContact O-N 3.31Å
82	L	94.6	Very high	95.6	Very high	27 Å²	27	41.8 Å²	41.8	14%	0.141	24%	0.244	C	C	.	.	H	α-helix	trans	-66	-39.8	178.9	-163.7	62.7	0	0	0	111.7	F61 H78 S79 D80 I85 Q86 M120 Y123 M124	F61-L82 HydrophobicContact CE2-CD1 3.84Å; F61-L82 HydrophobicContact CZ-CD1 4.02Å; H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 PolarHBondContact O-N 3.3Å; S79-L82 WeakPolarHBondContact O-CB 3.21Å; S79-L82 PolarHBondContact O-N 3.07Å; D80-L82 VanDerWaalsContact C-N 3.27Å; D80-L82 PolarHBondContact O-N 3.45Å; L82-I85 PolarHBondContact O-N 2.76Å; L82-Q86 WeakPolarHBondContact O-CB 3.22Å; L82-Q86 PolarHBondContact O-N 3.35Å; L82-M120 HydrophobicContact CD1-CE 4.12Å; L82-M120 HydrophobicContact CD1-CG 3.72Å; L82-M120 HydrophobicContact CD1-SD 4.18Å; L82-M120 HydrophobicContact CG-CE 4.26Å; L82-Y123 HydrophobicContact CD1-CD1 4.24Å; L82-Y123 HydrophobicContact CD1-CE1 4.44Å; L82-M124 HydrophobicContact CD1-CE 4.09Å; L82-M124 HydrophobicContact CD2-CE 3.37Å; L82-M124 HydrophobicContact CG-CE 3.93Å
83	G	95.3	Very high	95.7	Very high	44 Å²	44	42.7 Å²	42.7	45%	0.454	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-45.1	172.5	0	0	0	0	0	112.4	S79 D80 Q86 A87	S79-G83 PolarHBondContact O-N 3.46Å; D80-G83 PolarHBondContact O-N 2.99Å; G83-Q86 PolarHBondContact O-N 3.35Å; G83-A87 PolarHBondContact O-N 3.4Å
84	L	95.9	Very high	95.8	Very high	34 Å²	34	42.6 Å²	42.6	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-62.3	-42.9	176	-68.1	176.2	0	0	0	112.1	I12 L14 L57 D80 L81 Q86 A87 E88	I12-L84 HydrophobicContact CG2-CD1 4.26Å; L14-L84 HydrophobicContact CB-CD2 4.02Å; L57-L84 HydrophobicContact CD1-CB 3.82Å; L57-L84 HydrophobicContact CD1-CD1 4.24Å; L57-L84 HydrophobicContact CD2-CB 3.89Å; D80-L84 WeakPolarHBondContact O-CG 3.35Å; D80-L84 PolarHBondContact O-N 3.28Å; L81-L84 PolarHBondContact O-N 2.93Å; L84-Q86 VanDerWaalsContact C-N 3.35Å; L84-A87 PolarHBondContact O-N 3.25Å; L84-E88 PolarHBondContact O-N 2.87Å
85	I	97	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-41.7	176.4	-68.9	-74.3	0	0	0	111.2	L57 L58 F61 L81 L82 A87 E88 V89 I116 M120	L57-I85 HydrophobicContact CD1-CD1 4.01Å; L57-I85 HydrophobicContact CD1-CG1 4.11Å; L57-I85 HydrophobicContact CD2-CD1 4.24Å; L57-I85 HydrophobicContact CG-CD1 3.67Å; L57-I85 HydrophobicContact CG-CG1 4.25Å; L58-I85 HydrophobicContact CD2-CD1 3.76Å; F61-I85 HydrophobicContact CB-CD1 3.46Å; F61-I85 VanDerWaalsContact CB-CD1 3.46Å; F61-I85 HydrophobicContact CB-CG1 3.83Å; F61-I85 HydrophobicContact CD1-CD1 3.99Å; F61-I85 HydrophobicContact CD1-CG1 4.12Å; F61-I85 HydrophobicContact CD1-CG2 4.02Å; F61-I85 HydrophobicContact CD2-CD1 4.4Å; F61-I85 HydrophobicContact CD2-CG1 3.86Å; F61-I85 HydrophobicContact CE1-CG2 3.95Å; F61-I85 HydrophobicContact CE2-CG1 4.47Å; F61-I85 HydrophobicContact CG-CD1 3.71Å; F61-I85 HydrophobicContact CG-CG1 3.67Å; F61-I85 HydrophobicContact CG-CG2 4.4Å; F61-I85 HydrophobicContact CZ-CG2 4.31Å; L81-I85 VanDerWaalsContact O-CG1 3.22Å; L81-I85 WeakPolarHBondContact O-CG1 3.4Å; L81-I85 PolarHBondContact O-N 3.31Å; L82-I85 PolarHBondContact O-N 2.76Å; I85-A87 VanDerWaalsContact C-N 3.3Å; I85-A87 PolarHBondContact O-N 3.15Å; I85-E88 PolarHBondContact O-N 2.96Å; I85-V89 HydrophobicContact CG2-CG2 4.48Å; I85-V89 VanDerWaalsContact O-CG2 3.31Å; I85-V89 WeakPolarHBondContact O-CG2 3.46Å; I85-V89 PolarHBondContact O-N 3.32Å; I85-I116 HydrophobicContact CG2-CG2 3.82Å; I85-M120 HydrophobicContact CG2-SD 4.21Å
86	Q	97.1	Very high	95.6	Very high	72 Å²	72	42.6 Å²	42.6	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-62.5	-39.8	176.4	-175.5	60.7	68.8	0	0	111.6	L82 G83 L84 V89 N90 M120	L82-Q86 WeakPolarHBondContact O-CB 3.22Å; L82-Q86 PolarHBondContact O-N 3.35Å; G83-Q86 PolarHBondContact O-N 3.35Å; L84-Q86 VanDerWaalsContact C-N 3.35Å; Q86-V89 PolarHBondContact O-N 3.19Å; Q86-N90 PolarHBondContact NE2-OD1 2.95Å; Q86-N90 WeakPolarHBondContact O-CB 3.42Å; Q86-N90 PolarHBondContact O-N 2.97Å; Q86-N90 PolarHBondContact O-ND2 3.41Å; Q86-N90 PolarHBondContact O-OD1 2.93Å; Q86-M120 HydrophobicContact CB-CE 4.23Å
87	A	96.3	Very high	95.6	Very high	52 Å²	52	46.9 Å²	46.9	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-45.3	175	0	0	0	0	0	111.9	G83 L84 I85 V89 N90 Q91	G83-A87 PolarHBondContact O-N 3.4Å; L84-A87 PolarHBondContact O-N 3.25Å; I85-A87 VanDerWaalsContact C-N 3.3Å; I85-A87 PolarHBondContact O-N 3.15Å; A87-V89 VanDerWaalsContact C-N 3.34Å; A87-V89 PolarHBondContact O-N 3.41Å; A87-N90 PolarHBondContact O-N 2.98Å; A87-Q91 WeakPolarHBondContact O-CB 3.42Å; A87-Q91 PolarHBondContact O-N 3.34Å
88	E	94.9	Very high	95.6	Very high	36 Å²	36	52 Å²	52	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-43.1	176.3	-177.8	66	-159	0	0	111.7	S54 L57 L84 I85 Q91 L92	S54-E88 WeakPolarHBondContact CB-OE1 3.38Å; S54-E88 WeakPolarHBondContact CB-OE2 3.45Å; S54-E88 VanDerWaalsContact OG-CD 3.31Å; S54-E88 PolarHBondContact OG-OE1 2.96Å; S54-E88 PolarHBondContact OG-OE2 3.43Å; L57-E88 HydrophobicContact CD2-CB 4.35Å; L84-E88 PolarHBondContact O-N 2.87Å; I85-E88 PolarHBondContact O-N 2.96Å; E88-Q91 PolarHBondContact O-N 3Å; E88-L92 WeakPolarHBondContact O-CB 3.41Å; E88-L92 PolarHBondContact O-N 3.48Å
89	V	97.1	Very high	95.7	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-46.1	175.5	169.9	0	0	0	0	111.2	I85 Q86 A87 Q91 L92 E93 V113 I116	I85-V89 HydrophobicContact CG2-CG2 4.48Å; I85-V89 VanDerWaalsContact O-CG2 3.31Å; I85-V89 WeakPolarHBondContact O-CG2 3.46Å; I85-V89 PolarHBondContact O-N 3.32Å; Q86-V89 PolarHBondContact O-N 3.19Å; A87-V89 VanDerWaalsContact C-N 3.34Å; A87-V89 PolarHBondContact O-N 3.41Å; V89-Q91 VanDerWaalsContact C-N 3.34Å; V89-Q91 PolarHBondContact O-N 3.45Å; V89-L92 PolarHBondContact O-N 3.5Å; V89-E93 WeakPolarHBondContact O-CB 3.33Å; V89-E93 PolarHBondContact O-N 3.09Å; V89-V113 HydrophobicContact CG1-CG1 4.15Å; V89-I116 HydrophobicContact CG2-CB 3.82Å; V89-I116 HydrophobicContact CG2-CG2 3.33Å
90	N	97.4	Very high	95.8	Very high	86 Å²	86	53.2 Å²	53.2	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-42.2	180	-68.7	-14.5	0	0	0	111.6	Q86 A87 E93 A94	Q86-N90 PolarHBondContact NE2-OD1 2.95Å; Q86-N90 WeakPolarHBondContact O-CB 3.42Å; Q86-N90 PolarHBondContact O-N 2.97Å; Q86-N90 PolarHBondContact O-ND2 3.41Å; Q86-N90 PolarHBondContact O-OD1 2.93Å; A87-N90 PolarHBondContact O-N 2.98Å; N90-E93 PolarHBondContact O-N 3.22Å; N90-A94 PolarHBondContact O-N 3.36Å
91	Q	96.2	Very high	95.6	Very high	80 Å²	80	53 Å²	53	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-48.7	177.4	178.9	59.4	22.3	0	0	111.2	A87 E88 V89 E93 A94 E95	A87-Q91 WeakPolarHBondContact O-CB 3.42Å; A87-Q91 PolarHBondContact O-N 3.34Å; E88-Q91 PolarHBondContact O-N 3Å; V89-Q91 VanDerWaalsContact C-N 3.34Å; V89-Q91 PolarHBondContact O-N 3.45Å; Q91-E93 PolarHBondContact O-N 2.94Å; Q91-A94 PolarHBondContact O-N 3.02Å; Q91-A94 VanDerWaalsContact O-N 3.14Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.39Å; Q91-E95 PolarHBondContact NE2-OE1 2.87Å; Q91-E95 WeakPolarHBondContact O-CG 3.43Å; Q91-E95 PolarHBondContact O-N 3.43Å
92	L	95.6	Very high	95.4	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.126	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-34.8	179.2	-169.7	62.8	0	0	0	112	E88 V89 A96 K109 Q112 V113 I116	E88-L92 WeakPolarHBondContact O-CB 3.41Å; E88-L92 PolarHBondContact O-N 3.48Å; V89-L92 PolarHBondContact O-N 3.5Å; L92-A96 WeakPolarHBondContact O-CB 3.38Å; L92-A96 PolarHBondContact O-N 3.07Å; L92-K109 HydrophobicContact CD1-CB 4.14Å; L92-K109 HydrophobicContact CD1-CD 4.08Å; L92-K109 HydrophobicContact CD1-CG 3.81Å; L92-K109 HydrophobicContact CG-CB 4.37Å; L92-Q112 HydrophobicContact CD2-CB 3.75Å; L92-V113 HydrophobicContact CB-CG2 3.83Å; L92-V113 HydrophobicContact CD2-CG2 3.83Å; L92-V113 HydrophobicContact CG-CG2 3.74Å; L92-I116 HydrophobicContact CD2-CD1 4.26Å
93	E	96.7	Very high	95.4	Very high	56 Å²	56	56.9 Å²	56.9	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-68.7	-41.3	174.9	-164	-176	146.1	0	0	112.2	V89 N90 Q91 A96 K97 V113 R117	V89-E93 WeakPolarHBondContact O-CB 3.33Å; V89-E93 PolarHBondContact O-N 3.09Å; N90-E93 PolarHBondContact O-N 3.22Å; Q91-E93 PolarHBondContact O-N 2.94Å; E93-A96 PolarHBondContact O-N 3.28Å; E93-K97 WeakPolarHBondContact O-CG 3.47Å; E93-K97 PolarHBondContact O-N 3Å; E93-K97 WeakPolarHBondContact OE1-CE 3.34Å; E93-K97 IonicContact OE1-NZ 2.73Å; E93-K97 PolarHBondContact OE1-NZ 2.72Å; E93-V113 HydrophobicContact CB-CG1 4.38Å; E93-V113 HydrophobicContact CB-CG2 4.08Å; E93-V113 HydrophobicContact CG-CG1 4.44Å; E93-R117 IonicContact OE2-NH2 2.77Å; E93-R117 PolarHBondContact OE2-NH2 3.42Å
94	A	97.2	Very high	95.5	Very high	47 Å²	47	60.5 Å²	60.5	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-46.8	175.2	0	0	0	0	0	111.4	N90 Q91 A96 K97 T98	N90-A94 PolarHBondContact O-N 3.36Å; Q91-A94 PolarHBondContact O-N 3.02Å; Q91-A94 VanDerWaalsContact O-N 3.14Å; A94-A96 VanDerWaalsContact C-N 3.26Å; A94-A96 PolarHBondContact O-N 2.91Å; A94-K97 WeakPolarHBondContact O-CB 3.23Å; A94-K97 PolarHBondContact O-N 3.26Å; A94-T98 PolarHBondContact O-N 3.29Å
95	E	95.7	Very high	95.5	Very high	57 Å²	57	64.9 Å²	64.9	27%	0.266	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-32.7	176.4	-70.2	174.6	-162.8	0	0	113	Q91 K97 T98 K109	Q91-E95 WeakPolarHBondContact CG-OE1 3.39Å; Q91-E95 PolarHBondContact NE2-OE1 2.87Å; Q91-E95 WeakPolarHBondContact O-CG 3.43Å; Q91-E95 PolarHBondContact O-N 3.43Å; E95-K97 VanDerWaalsContact C-N 3.29Å; E95-T98 PolarHBondContact O-OG1 2.93Å; E95-K109 HydrophobicContact CB-CD 4.09Å; E95-K109 IonicContact OE2-NZ 2.95Å; E95-K109 PolarHBondContact OE2-NZ 2.93Å
96	A	95.4	Very high	95.5	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.008	38%	0.376	C	S	.	.	H	α-helix	trans	-68.5	-30.2	174.6	0	0	0	0	0	112.3	L92 E93 A94 K109 R110	L92-A96 WeakPolarHBondContact O-CB 3.38Å; L92-A96 PolarHBondContact O-N 3.07Å; E93-A96 PolarHBondContact O-N 3.28Å; A94-A96 VanDerWaalsContact C-N 3.26Å; A94-A96 PolarHBondContact O-N 2.91Å; A96-K109 HydrophobicContact CB-CB 3.74Å; A96-K109 HydrophobicContact CB-CD 4.47Å; A96-R110 HydrophobicContact CB-CG 3.93Å; A96-R110 PolarHBondContact O-NH2 3.12Å; A96-R110 VanDerWaalsContact O-NH2 3.1Å
97	K	95.7	Very high	95.5	Very high	137 Å²	137	65.8 Å²	65.8	60%	0.596	38%	0.38	S	S	*	.	H	α-helix	trans	-77.8	-26.9	179.2	-71.3	169.4	-175.8	166	0	112.9	E93 A94 E95 L99	E93-K97 WeakPolarHBondContact O-CG 3.47Å; E93-K97 PolarHBondContact O-N 3Å; E93-K97 WeakPolarHBondContact OE1-CE 3.34Å; E93-K97 IonicContact OE1-NZ 2.73Å; E93-K97 PolarHBondContact OE1-NZ 2.72Å; A94-K97 WeakPolarHBondContact O-CB 3.23Å; A94-K97 PolarHBondContact O-N 3.26Å; E95-K97 VanDerWaalsContact C-N 3.29Å; K97-L99 VanDerWaalsContact C-N 3.26Å; K97-L99 PolarHBondContact O-N 3.17Å
98	T	96.8	Very high	95.5	Very high	118 Å²	118	67.6 Å²	67.6	72%	0.724	38%	0.382	S	S	*	.	S	Bend	trans	-75.9	-14.3	177.3	56.3	0	0	0	0	113.5	A94 E95	A94-T98 PolarHBondContact O-N 3.29Å; E95-T98 PolarHBondContact O-OG1 2.93Å
99	L	95.8	Very high	95.6	Very high	41 Å²	41	67.7 Å²	67.7	22%	0.215	38%	0.381	C	S	.	.	S	Bend	trans	-87.6	149.5	179.6	-67.8	169.2	0	0	0	111.6	K97 K105 A106 K109	K97-L99 VanDerWaalsContact C-N 3.26Å; K97-L99 PolarHBondContact O-N 3.17Å; L99-K105 HydrophobicContact CD1-CB 4.18Å; L99-K105 HydrophobicContact CD1-CD 4.14Å; L99-K105 HydrophobicContact CD1-CG 3.96Å; L99-A106 HydrophobicContact CB-CB 3.59Å; L99-A106 HydrophobicContact CD1-CB 3.94Å; L99-A106 HydrophobicContact CG-CB 4.43Å; L99-K109 HydrophobicContact CD1-CD 4.13Å
100	P	94.3	Very high	95.5	Very high	87 Å²	87	72.3 Å²	72.3	57%	0.565	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-56.5	150	-178.5	-24.9	34	0	0	0	113.9	G102 D103	P100-G102 PolarHBondContact O-N 2.93Å; P100-D103 HydrophobicContact CB-CB 4.36Å; P100-D103 WeakPolarHBondContact O-CB 3.36Å; P100-D103 PolarHBondContact O-N 2.87Å; P100-D103 VanDerWaalsContact O-N 3.13Å
101	A	88.1	Confident	95.5	Very high	102 Å²	102	73 Å²	73	84%	0.843	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	134.3	171.1	0	0	0	0	0	110.3	D103	A101-D103 VanDerWaalsContact C-N 3.28Å; A101-D103 PolarHBondContact O-N 3.45Å
102	G	90	Very high	95.6	Very high	63 Å²	63	72.3 Å²	72.3	65%	0.649	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-11.3	-175.5	0	0	0	0	0	115	P100 L104 Q107	P100-G102 PolarHBondContact O-N 2.93Å; G102-L104 PolarHBondContact O-N 3.32Å; G102-Q107 PolarHBondContact O-NE2 2.84Å
103	D	95.3	Very high	95.7	Very high	56 Å²	56	71.3 Å²	71.3	30%	0.299	39%	0.393	S	S	.	.			trans	-61.7	130.7	177.6	-178.3	-79.8	0	0	0	111.8	P100 A101 K105 A106 Q107	P100-D103 HydrophobicContact CB-CB 4.36Å; P100-D103 WeakPolarHBondContact O-CB 3.36Å; P100-D103 PolarHBondContact O-N 2.87Å; P100-D103 VanDerWaalsContact O-N 3.13Å; A101-D103 VanDerWaalsContact C-N 3.28Å; A101-D103 PolarHBondContact O-N 3.45Å; D103-K105 PolarHBondContact O-N 2.8Å; D103-K105 VanDerWaalsContact OD1-CA 3.3Å; D103-K105 WeakPolarHBondContact OD1-CA 3.39Å; D103-K105 WeakPolarHBondContact OD1-CB 2.98Å; D103-K105 PolarHBondContact OD1-N 3.01Å; D103-A106 HydrophobicContact CB-CB 4.01Å; D103-A106 WeakPolarHBondContact O-CB 3.3Å; D103-A106 PolarHBondContact O-N 3Å; D103-A106 PolarHBondContact OD1-N 3.36Å; D103-Q107 WeakPolarHBondContact O-CG 3.22Å; D103-Q107 PolarHBondContact O-N 2.89Å
104	L	97	Very high	95.7	Very high	119 Å²	119	73.8 Å²	73.8	62%	0.623	41%	0.405	S	S	*	.	H	α-helix	trans	-65.7	-37.6	-177.1	178.8	61.9	0	0	0	112.3	G102 A106 Q107 I108	G102-L104 PolarHBondContact O-N 3.32Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3Å; L104-Q107 WeakPolarHBondContact O-CB 3.31Å; L104-Q107 PolarHBondContact O-N 2.91Å; L104-I108 HydrophobicContact CD1-CD1 4.35Å; L104-I108 HydrophobicContact CD1-CG1 4.42Å; L104-I108 HydrophobicContact CG-CD1 4.04Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 PolarHBondContact O-N 3.46Å
105	K	96.3	Very high	95.8	Very high	127 Å²	127	77.6 Å²	77.6	55%	0.552	41%	0.409	S	S	*	.	H	α-helix	trans	-64.9	-38.7	176.8	-176.2	-176.7	-179.8	-179.6	0	110.1	L99 D103 I108 K109	L99-K105 HydrophobicContact CD1-CB 4.18Å; L99-K105 HydrophobicContact CD1-CD 4.14Å; L99-K105 HydrophobicContact CD1-CG 3.96Å; D103-K105 PolarHBondContact O-N 2.8Å; D103-K105 VanDerWaalsContact OD1-CA 3.3Å; D103-K105 WeakPolarHBondContact OD1-CA 3.39Å; D103-K105 WeakPolarHBondContact OD1-CB 2.98Å; D103-K105 PolarHBondContact OD1-N 3.01Å; K105-I108 PolarHBondContact O-N 3.15Å; K105-K109 WeakPolarHBondContact O-CG 3.3Å; K105-K109 PolarHBondContact O-N 3.36Å
106	A	96.5	Very high	95.9	Very high	0 Å²	0	75 Å²	75	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-44.4	173.4	0	0	0	0	0	111.6	L99 D103 L104 K109 R110	L99-A106 HydrophobicContact CB-CB 3.59Å; L99-A106 HydrophobicContact CD1-CB 3.94Å; L99-A106 HydrophobicContact CG-CB 4.43Å; D103-A106 HydrophobicContact CB-CB 4.01Å; D103-A106 WeakPolarHBondContact O-CB 3.3Å; D103-A106 PolarHBondContact O-N 3Å; D103-A106 PolarHBondContact OD1-N 3.36Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3Å; A106-K109 PolarHBondContact O-N 3.49Å; A106-R110 WeakPolarHBondContact O-CG 3.44Å; A106-R110 PolarHBondContact O-N 3.35Å
107	Q	96.7	Very high	96	Very high	91 Å²	91	78.5 Å²	78.5	43%	0.425	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-45.4	176.7	-67.9	177.8	61.2	0	0	111.9	G102 D103 L104 K109 R110 I111	G102-Q107 PolarHBondContact O-NE2 2.84Å; D103-Q107 WeakPolarHBondContact O-CG 3.22Å; D103-Q107 PolarHBondContact O-N 2.89Å; L104-Q107 WeakPolarHBondContact O-CB 3.31Å; L104-Q107 PolarHBondContact O-N 2.91Å; Q107-K109 PolarHBondContact O-N 3.27Å; Q107-R110 PolarHBondContact O-N 3.18Å; Q107-I111 WeakPolarHBondContact O-CG1 3.4Å; Q107-I111 PolarHBondContact O-N 3.16Å
108	I	97	Very high	96.1	Very high	90 Å²	90	77.6 Å²	77.6	46%	0.462	41%	0.406	S	S	.	.	H	α-helix	trans	-59.9	-45.4	177.2	-68.9	166.7	0	0	0	110.8	L104 K105 R110 I111 Q112	L104-I108 HydrophobicContact CD1-CD1 4.35Å; L104-I108 HydrophobicContact CD1-CG1 4.42Å; L104-I108 HydrophobicContact CG-CD1 4.04Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 PolarHBondContact O-N 3.46Å; K105-I108 PolarHBondContact O-N 3.15Å; I108-R110 PolarHBondContact O-N 3.35Å; I108-I111 PolarHBondContact O-N 3.35Å; I108-Q112 WeakPolarHBondContact O-CG 3.44Å; I108-Q112 PolarHBondContact O-N 3.39Å
109	K	96.7	Very high	96.2	Very high	37 Å²	37	72.4 Å²	72.4	16%	0.161	37%	0.374	C	S	.	.	H	α-helix	trans	-60.4	-44.3	177.3	-73.5	-177	172.8	-77.9	0	111.9	L92 E95 A96 L99 K105 A106 Q107 I111 Q112 V113	L92-K109 HydrophobicContact CD1-CB 4.14Å; L92-K109 HydrophobicContact CD1-CD 4.08Å; L92-K109 HydrophobicContact CD1-CG 3.81Å; L92-K109 HydrophobicContact CG-CB 4.37Å; E95-K109 HydrophobicContact CB-CD 4.09Å; E95-K109 IonicContact OE2-NZ 2.95Å; E95-K109 PolarHBondContact OE2-NZ 2.93Å; A96-K109 HydrophobicContact CB-CB 3.74Å; A96-K109 HydrophobicContact CB-CD 4.47Å; L99-K109 HydrophobicContact CD1-CD 4.13Å; K105-K109 WeakPolarHBondContact O-CG 3.3Å; K105-K109 PolarHBondContact O-N 3.36Å; A106-K109 PolarHBondContact O-N 3.49Å; Q107-K109 PolarHBondContact O-N 3.27Å; K109-I111 PolarHBondContact O-N 2.97Å; K109-Q112 PolarHBondContact O-N 2.7Å; K109-V113 WeakPolarHBondContact O-CG2 3.39Å; K109-V113 PolarHBondContact O-N 3.5Å
110	R	96	Very high	96.3	Very high	99 Å²	99	71.2 Å²	71.2	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-44.3	175.7	-69.5	177.6	-172.1	107.9	4.9	112.1	A96 A106 Q107 I108 Q112 V113 E114	A96-R110 HydrophobicContact CB-CG 3.93Å; A96-R110 PolarHBondContact O-NH2 3.12Å; A96-R110 VanDerWaalsContact O-NH2 3.1Å; A106-R110 WeakPolarHBondContact O-CG 3.44Å; A106-R110 PolarHBondContact O-N 3.35Å; Q107-R110 PolarHBondContact O-N 3.18Å; I108-R110 PolarHBondContact O-N 3.35Å; R110-Q112 VanDerWaalsContact C-N 3.29Å; R110-Q112 PolarHBondContact O-N 3.36Å; R110-V113 WeakPolarHBondContact O-CB 3.44Å; R110-V113 PolarHBondContact O-N 2.9Å; R110-E114 WeakPolarHBondContact O-CG 3.4Å; R110-E114 PolarHBondContact O-N 2.83Å
111	I	97.3	Very high	96.4	Very high	102 Å²	102	69.6 Å²	69.6	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-60.2	-41.8	176.3	-68.7	165.8	0	0	0	110.9	Q107 I108 K109 E114 R115	Q107-I111 WeakPolarHBondContact O-CG1 3.4Å; Q107-I111 PolarHBondContact O-N 3.16Å; I108-I111 PolarHBondContact O-N 3.35Å; K109-I111 PolarHBondContact O-N 2.97Å; I111-E114 PolarHBondContact O-N 3.01Å; I111-R115 VanDerWaalsContact O-CG 3.31Å; I111-R115 WeakPolarHBondContact O-CG 3.39Å; I111-R115 PolarHBondContact O-N 3.5Å
112	Q	96.5	Very high	96.9	Very high	65 Å²	65	66.1 Å²	66.1	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-65.6	-42.4	177.5	-68.1	-64.4	-6	0	0	112.2	L92 I108 K109 R110 E114 R115 I116	L92-Q112 HydrophobicContact CD2-CB 3.75Å; I108-Q112 WeakPolarHBondContact O-CG 3.44Å; I108-Q112 PolarHBondContact O-N 3.39Å; K109-Q112 PolarHBondContact O-N 2.7Å; R110-Q112 VanDerWaalsContact C-N 3.29Å; R110-Q112 PolarHBondContact O-N 3.36Å; Q112-E114 VanDerWaalsContact C-N 3.33Å; Q112-E114 PolarHBondContact O-N 3.37Å; Q112-R115 PolarHBondContact O-N 3.44Å; Q112-I116 VanDerWaalsContact O-CG1 3.3Å; Q112-I116 WeakPolarHBondContact O-CG1 3.43Å; Q112-I116 PolarHBondContact O-N 2.72Å
113	V	97.8	Very high	97.3	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-54	-50	172.8	163.7	0	0	0	0	110.9	V89 L92 E93 K109 R110 R115 I116 R117	V89-V113 HydrophobicContact CG1-CG1 4.15Å; L92-V113 HydrophobicContact CB-CG2 3.83Å; L92-V113 HydrophobicContact CD2-CG2 3.83Å; L92-V113 HydrophobicContact CG-CG2 3.74Å; E93-V113 HydrophobicContact CB-CG1 4.38Å; E93-V113 HydrophobicContact CB-CG2 4.08Å; E93-V113 HydrophobicContact CG-CG1 4.44Å; K109-V113 WeakPolarHBondContact O-CG2 3.39Å; K109-V113 PolarHBondContact O-N 3.5Å; R110-V113 WeakPolarHBondContact O-CB 3.44Å; R110-V113 PolarHBondContact O-N 2.9Å; V113-R115 VanDerWaalsContact C-N 3.33Å; V113-R115 PolarHBondContact O-N 2.81Å; V113-I116 PolarHBondContact O-N 3.41Å; V113-R117 VanDerWaalsContact O-CB 3.3Å; V113-R117 WeakPolarHBondContact O-CB 3.33Å; V113-R117 PolarHBondContact O-N 3.13Å
114	E	98.2	Very high	97.5	Very high	108 Å²	108	64 Å²	64	51%	0.505	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-39.9	179.1	-66	-46.9	135.1	0	0	112.6	R110 I111 Q112 R117 F118	R110-E114 WeakPolarHBondContact O-CG 3.4Å; R110-E114 PolarHBondContact O-N 2.83Å; I111-E114 PolarHBondContact O-N 3.01Å; Q112-E114 VanDerWaalsContact C-N 3.33Å; Q112-E114 PolarHBondContact O-N 3.37Å; E114-R117 IonicContact OE1-CZ 2.6Å; E114-R117 IonicContact OE1-NH1 2.85Å; E114-R117 PolarHBondContact OE1-NH1 3.42Å; E114-R117 IonicContact OE2-NH1 3.83Å; E114-R117 PolarHBondContact OE2-NH1 3.19Å; E114-F118 WeakPolarHBondContact O-CB 3.31Å; E114-F118 PolarHBondContact O-N 3Å
115	R	98.1	Very high	97.5	Very high	126 Å²	126	65.2 Å²	65.2	48%	0.475	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-49.2	178	-72.8	173.2	64.8	-169.7	1.2	111.8	I111 Q112 V113 R117 F118 I119	I111-R115 VanDerWaalsContact O-CG 3.31Å; I111-R115 WeakPolarHBondContact O-CG 3.39Å; I111-R115 PolarHBondContact O-N 3.5Å; Q112-R115 PolarHBondContact O-N 3.44Å; V113-R115 VanDerWaalsContact C-N 3.33Å; V113-R115 PolarHBondContact O-N 2.81Å; R115-R117 VanDerWaalsContact C-N 3.34Å; R115-F118 PolarHBondContact O-N 2.86Å; R115-I119 WeakPolarHBondContact O-CD1 3.29Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 3.33Å; R115-I119 VanDerWaalsContact O-N 3.15Å
116	I	97.8	Very high	97.6	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-44.1	-179.3	-59.3	161.8	0	0	0	109.7	L58 I85 V89 L92 Q112 V113 F118 I119 M120	L58-I116 HydrophobicContact CD1-CD1 4.06Å; L58-I116 HydrophobicContact CD2-CD1 3.73Å; L58-I116 HydrophobicContact CD2-CG1 3.85Å; L58-I116 HydrophobicContact CD2-CG2 3.9Å; I85-I116 HydrophobicContact CG2-CG2 3.82Å; V89-I116 HydrophobicContact CG2-CB 3.82Å; V89-I116 HydrophobicContact CG2-CG2 3.33Å; L92-I116 HydrophobicContact CD2-CD1 4.26Å; Q112-I116 VanDerWaalsContact O-CG1 3.3Å; Q112-I116 WeakPolarHBondContact O-CG1 3.43Å; Q112-I116 PolarHBondContact O-N 2.72Å; V113-I116 PolarHBondContact O-N 3.41Å; I116-F118 VanDerWaalsContact C-N 3.35Å; I116-F118 PolarHBondContact O-N 2.71Å; I116-I119 PolarHBondContact O-N 3.34Å; I116-M120 WeakPolarHBondContact O-CB 3.44Å; I116-M120 PolarHBondContact O-N 2.84Å
117	R	97.7	Very high	97.7	Very high	74 Å²	74	60.5 Å²	60.5	28%	0.279	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-44.8	176	-168.2	-177.4	-62.6	117.5	-5.9	111.6	E93 V113 E114 R115 I119 M120 V121	E93-R117 IonicContact OE2-NH2 2.77Å; E93-R117 PolarHBondContact OE2-NH2 3.42Å; V113-R117 VanDerWaalsContact O-CB 3.3Å; V113-R117 WeakPolarHBondContact O-CB 3.33Å; V113-R117 PolarHBondContact O-N 3.13Å; E114-R117 IonicContact OE1-CZ 2.6Å; E114-R117 IonicContact OE1-NH1 2.85Å; E114-R117 PolarHBondContact OE1-NH1 3.42Å; E114-R117 IonicContact OE2-NH1 3.83Å; E114-R117 PolarHBondContact OE2-NH1 3.19Å; R115-R117 VanDerWaalsContact C-N 3.34Å; R117-I119 VanDerWaalsContact C-N 3.34Å; R117-I119 PolarHBondContact O-N 2.77Å; R117-M120 PolarHBondContact O-N 3.3Å; R117-V121 HydrophobicContact CG-CG2 4.4Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 3.46Å
118	F	98.4	Very high	97.8	Very high	118 Å²	118	58.5 Å²	58.5	52%	0.518	26%	0.263	S	S	.	.	H	α-helix	trans	-55.6	-49	176.5	167.7	-96.6	0	0	0	111.8	E114 R115 I116 M120 V121 D122	E114-F118 WeakPolarHBondContact O-CB 3.31Å; E114-F118 PolarHBondContact O-N 3Å; R115-F118 PolarHBondContact O-N 2.86Å; I116-F118 VanDerWaalsContact C-N 3.35Å; I116-F118 PolarHBondContact O-N 2.71Å; F118-M120 VanDerWaalsContact C-N 3.28Å; F118-M120 PolarHBondContact O-N 3.41Å; F118-V121 PolarHBondContact O-N 3.13Å; F118-D122 WeakPolarHBondContact O-CB 3.32Å; F118-D122 PolarHBondContact O-N 2.8Å
119	I	98.1	Very high	97.9	Very high	8 Å²	8	61.6 Å²	61.6	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-41.1	179.6	-64	149.1	0	0	0	110.7	F61 Y62 W65 R115 I116 R117 D122 Y123	F61-I119 HydrophobicContact CD1-CG2 4.02Å; F61-I119 HydrophobicContact CE1-CB 4.24Å; F61-I119 HydrophobicContact CE1-CG2 3.66Å; F61-I119 HydrophobicContact CZ-CG2 4.48Å; Y62-I119 HydrophobicContact CD1-CD1 3.9Å; Y62-I119 HydrophobicContact CE1-CD1 3.07Å; Y62-I119 HydrophobicContact CE1-CG1 4.12Å; Y62-I119 VanDerWaalsContact CZ-CD1 3.49Å; Y62-I119 WeakPolarHBondContact OH-CD1 3.36Å; W65-I119 HydrophobicContact CB-CG2 3.93Å; W65-I119 HydrophobicContact CD2-CG2 3.65Å; W65-I119 HydrophobicContact CE3-CG2 3.9Å; W65-I119 HydrophobicContact CG-CG2 3.66Å; R115-I119 WeakPolarHBondContact O-CD1 3.29Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 3.33Å; R115-I119 VanDerWaalsContact O-N 3.15Å; I116-I119 PolarHBondContact O-N 3.34Å; R117-I119 VanDerWaalsContact C-N 3.34Å; R117-I119 PolarHBondContact O-N 2.77Å; I119-D122 PolarHBondContact O-N 3.32Å; I119-Y123 WeakPolarHBondContact O-CB 3.38Å; I119-Y123 PolarHBondContact O-N 2.91Å
120	M	97.8	Very high	97.9	Very high	17 Å²	17	60.9 Å²	60.9	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-46.9	179.2	-174.1	175	152	0	0	112.6	F61 L82 I85 Q86 I116 R117 F118 Y123 M124	F61-M120 HydrophobicContact CE1-CB 3.99Å; F61-M120 HydrophobicContact CZ-CB 3.9Å; F61-M120 HydrophobicContact CZ-CG 4.09Å; L82-M120 HydrophobicContact CD1-CE 4.12Å; L82-M120 HydrophobicContact CD1-CG 3.72Å; L82-M120 HydrophobicContact CD1-SD 4.18Å; L82-M120 HydrophobicContact CG-CE 4.26Å; I85-M120 HydrophobicContact CG2-SD 4.21Å; Q86-M120 HydrophobicContact CB-CE 4.23Å; I116-M120 WeakPolarHBondContact O-CB 3.44Å; I116-M120 PolarHBondContact O-N 2.84Å; R117-M120 PolarHBondContact O-N 3.3Å; F118-M120 VanDerWaalsContact C-N 3.28Å; F118-M120 PolarHBondContact O-N 3.41Å; M120-Y123 PolarHBondContact O-N 3.01Å; M120-M124 HydrophobicContact CE-CE 3.53Å; M120-M124 HydrophobicContact CG-CE 4.38Å; M120-M124 WeakPolarHBondContact O-CG 3.47Å; M120-M124 PolarHBondContact O-N 3.07Å; M120-M124 VanDerWaalsContact O-N 3.09Å
121	V	97.9	Very high	98.1	Very high	53 Å²	53	56.1 Å²	56.1	32%	0.321	25%	0.252	S	S	.	.	H	α-helix	trans	-69	-36.1	177	-169.2	0	0	0	0	111	R117 F118 M124 R125	R117-V121 HydrophobicContact CG-CG2 4.4Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 3.46Å; F118-V121 PolarHBondContact O-N 3.13Å; V121-M124 PolarHBondContact O-N 3.34Å; V121-R125 HydrophobicContact CG1-CG 4.44Å; V121-R125 WeakPolarHBondContact O-CB 3.37Å; V121-R125 WeakPolarHBondContact O-CG 3.48Å; V121-R125 PolarHBondContact O-N 3.06Å
122	D	98.6	Very high	98	Very high	29 Å²	29	55.3 Å²	55.3	16%	0.155	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-45.4	174.6	-164.9	51.6	0	0	0	111.6	W65 K69 F118 I119 M124 R125 I126	W65-D122 PolarHBondContact NE1-OD2 3.49Å; K69-D122 IonicContact NZ-OD2 3.74Å; K69-D122 PolarHBondContact NZ-OD2 2.91Å; F118-D122 WeakPolarHBondContact O-CB 3.32Å; F118-D122 PolarHBondContact O-N 2.8Å; I119-D122 PolarHBondContact O-N 3.32Å; D122-M124 PolarHBondContact O-N 3.26Å; D122-R125 PolarHBondContact O-N 3.26Å; D122-I126 WeakPolarHBondContact O-CD1 3.45Å; D122-I126 VanDerWaalsContact O-CG1 3.22Å; D122-I126 WeakPolarHBondContact O-CG1 3.15Å; D122-I126 PolarHBondContact O-N 2.87Å
123	Y	98.3	Very high	98	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-56.1	-51.2	174.9	172.4	-111.7	0	0	0	111.9	F61 I64 W65 E68 L82 I119 M120 R125 I126 R127	F61-Y123 HydrophobicContact CE2-CD1 4.23Å; F61-Y123 HydrophobicContact CZ-CD1 4.48Å; I64-Y123 HydrophobicContact CD1-CE1 4.28Å; I64-Y123 HydrophobicContact CD1-CE2 4.16Å; W65-Y123 HydrophobicContact CB-CD2 4.46Å; E68-Y123 HydrophobicContact CB-CD2 3.89Å; E68-Y123 HydrophobicContact CB-CE2 3.75Å; E68-Y123 HydrophobicContact CG-CD2 4.02Å; E68-Y123 HydrophobicContact CG-CE2 3.8Å; L82-Y123 HydrophobicContact CD1-CD1 4.24Å; L82-Y123 HydrophobicContact CD1-CE1 4.44Å; I119-Y123 WeakPolarHBondContact O-CB 3.38Å; I119-Y123 PolarHBondContact O-N 2.91Å; M120-Y123 PolarHBondContact O-N 3.01Å; Y123-R125 PolarHBondContact O-N 3.39Å; Y123-I126 PolarHBondContact O-N 2.84Å; Y123-R127 HydrophobicContact CE2-CG 4.21Å; Y123-R127 WeakPolarHBondContact O-CG 3.31Å; Y123-R127 PolarHBondContact O-N 3.34Å; Y123-R127 VanDerWaalsContact O-N 3.11Å; Y123-R127 WeakPolarHBondContact OH-CD 3.43Å
124	M	98	Very high	98	Very high	70 Å²	70	61.3 Å²	61.3	35%	0.345	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-44.1	177.8	-70.6	175.5	168.7	0	0	112	L82 M120 V121 D122 I126 R127 M128	L82-M124 HydrophobicContact CD1-CE 4.09Å; L82-M124 HydrophobicContact CD2-CE 3.37Å; L82-M124 HydrophobicContact CG-CE 3.93Å; M120-M124 HydrophobicContact CE-CE 3.53Å; M120-M124 HydrophobicContact CG-CE 4.38Å; M120-M124 WeakPolarHBondContact O-CG 3.47Å; M120-M124 PolarHBondContact O-N 3.07Å; M120-M124 VanDerWaalsContact O-N 3.09Å; V121-M124 PolarHBondContact O-N 3.34Å; D122-M124 PolarHBondContact O-N 3.26Å; M124-I126 VanDerWaalsContact C-N 3.34Å; M124-I126 PolarHBondContact O-N 3.44Å; M124-R127 PolarHBondContact O-N 3.07Å; M124-M128 WeakPolarHBondContact O-CG 3.43Å; M124-M128 PolarHBondContact O-N 2.98Å
125	R	98.5	Very high	97.9	Very high	144 Å²	144	56.6 Å²	56.6	54%	0.543	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-41.2	178.1	-81.3	-171.8	-84	-118.6	2.3	112.5	V121 D122 Y123 R127 M128 K129	V121-R125 HydrophobicContact CG1-CG 4.44Å; V121-R125 WeakPolarHBondContact O-CB 3.37Å; V121-R125 WeakPolarHBondContact O-CG 3.48Å; V121-R125 PolarHBondContact O-N 3.06Å; D122-R125 PolarHBondContact O-N 3.26Å; Y123-R125 PolarHBondContact O-N 3.39Å; R125-R127 VanDerWaalsContact C-N 3.35Å; R125-M128 PolarHBondContact O-N 3.48Å; R125-K129 WeakPolarHBondContact O-CB 3.38Å; R125-K129 PolarHBondContact O-N 2.98Å
126	I	98.5	Very high	97.7	Very high	28 Å²	28	51.5 Å²	51.5	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-47.3	176.4	-69.6	161	0	0	0	110	E68 K69 D122 Y123 M124 K129 K130	E68-I126 HydrophobicContact CG-CG2 3.89Å; K69-I126 HydrophobicContact CB-CD1 3.84Å; K69-I126 HydrophobicContact CD-CD1 4.12Å; K69-I126 HydrophobicContact CG-CD1 3.88Å; D122-I126 WeakPolarHBondContact O-CD1 3.45Å; D122-I126 VanDerWaalsContact O-CG1 3.22Å; D122-I126 WeakPolarHBondContact O-CG1 3.15Å; D122-I126 PolarHBondContact O-N 2.87Å; Y123-I126 PolarHBondContact O-N 2.84Å; M124-I126 VanDerWaalsContact C-N 3.34Å; M124-I126 PolarHBondContact O-N 3.44Å; I126-K129 PolarHBondContact O-N 3.48Å; I126-K130 PolarHBondContact O-N 3.26Å; I126-K130 VanDerWaalsContact O-N 3.11Å
127	R	98.4	Very high	97.6	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-47.1	178.9	-69.7	-178.5	58.5	82.4	1.3	112.2	E68 L74 L75 Y123 M124 R125 K129 K130 I131 H152 E157	E68-R127 HydrophobicContact CG-CG 3.58Å; E68-R127 IonicContact OE2-CZ 2.66Å; E68-R127 IonicContact OE2-NH1 3.46Å; E68-R127 PolarHBondContact OE2-NH1 3.31Å; L74-R127 HydrophobicContact CD1-CB 4.16Å; L74-R127 HydrophobicContact CD1-CG 4.12Å; L75-R127 PolarHBondContact O-NH1 3.39Å; Y123-R127 HydrophobicContact CE2-CG 4.21Å; Y123-R127 WeakPolarHBondContact O-CG 3.31Å; Y123-R127 PolarHBondContact O-N 3.34Å; Y123-R127 VanDerWaalsContact O-N 3.11Å; Y123-R127 WeakPolarHBondContact OH-CD 3.43Å; M124-R127 PolarHBondContact O-N 3.07Å; R125-R127 VanDerWaalsContact C-N 3.35Å; R127-K129 VanDerWaalsContact C-N 3.3Å; R127-K129 PolarHBondContact O-N 3.01Å; R127-K130 WeakPolarHBondContact O-CB 3.14Å; R127-K130 PolarHBondContact O-N 3.11Å; R127-K130 VanDerWaalsContact O-N 3.07Å; R127-I131 WeakPolarHBondContact O-CG1 3.48Å; R127-I131 PolarHBondContact O-N 3.11Å; R127-H152 PolarHBondContact NH2-O 3.37Å; R127-E157 IonicContact CZ-OE1 3.33Å; R127-E157 IonicContact CZ-OE2 3.15Å; R127-E157 IonicContact NE-OE1 3.92Å; R127-E157 PolarHBondContact NE-OE1 3.3Å; R127-E157 IonicContact NE-OE2 3.78Å; R127-E157 IonicContact NH2-OE1 2.72Å; R127-E157 PolarHBondContact NH2-OE1 2.74Å; R127-E157 IonicContact NH2-OE2 2.71Å; R127-E157 PolarHBondContact NH2-OE2 2.69Å
128	M	98.5	Very high	97.6	Very high	49 Å²	49	49.1 Å²	49.1	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-55	-46.3	175.3	-74.3	-57.7	100.5	0	0	111.9	M124 R125 K130 I131 E132 E157 F160	M124-M128 WeakPolarHBondContact O-CG 3.43Å; M124-M128 PolarHBondContact O-N 2.98Å; R125-M128 PolarHBondContact O-N 3.48Å; M128-K130 VanDerWaalsContact C-N 3.29Å; M128-K130 PolarHBondContact O-N 2.99Å; M128-I131 HydrophobicContact CE-CD1 3.45Å; M128-I131 VanDerWaalsContact CE-CD1 3.45Å; M128-I131 PolarHBondContact O-N 3.43Å; M128-I131 VanDerWaalsContact O-N 3.13Å; M128-E132 WeakPolarHBondContact O-CG 3.41Å; M128-E132 PolarHBondContact O-N 3.44Å; M128-E157 HydrophobicContact CE-CB 4.21Å; M128-E157 HydrophobicContact CE-CG 3.55Å; M128-F160 HydrophobicContact SD-CD1 3.71Å; M128-F160 HydrophobicContact SD-CE1 3.83Å; M128-F160 HydrophobicContact SD-CG 4.19Å; M128-F160 HydrophobicContact SD-CZ 4.38Å
129	K	98.2	Very high	97.5	Very high	154 Å²	154	44 Å²	44	67%	0.67	20%	0.198	S	C	*	.	H	α-helix	trans	-61.3	-36.7	178.3	-173.7	176	-179.1	178.2	0	112.8	R125 I126 R127 R133	R125-K129 WeakPolarHBondContact O-CB 3.38Å; R125-K129 PolarHBondContact O-N 2.98Å; I126-K129 PolarHBondContact O-N 3.48Å; R127-K129 VanDerWaalsContact C-N 3.3Å; R127-K129 PolarHBondContact O-N 3.01Å; K129-R133 WeakPolarHBondContact O-CB 3.45Å; K129-R133 PolarHBondContact O-N 3.4Å
130	K	98.3	Very high	97.3	Very high	22 Å²	22	45.7 Å²	45.7	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-42	174.4	-70.6	-177.5	-178.4	-178.2	0	111.5	E68 A71 V73 L74 I126 R127 M128 R133 F134	E68-K130 VanDerWaalsContact O-CE 3.27Å; E68-K130 WeakPolarHBondContact O-CE 3.33Å; E68-K130 PolarHBondContact O-NZ 3.23Å; E68-K130 IonicContact OE1-NZ 3.6Å; E68-K130 PolarHBondContact OE1-NZ 3.24Å; A71-K130 VanDerWaalsContact O-CE 3.24Å; A71-K130 WeakPolarHBondContact O-CE 3.5Å; A71-K130 PolarHBondContact O-NZ 3.15Å; V73-K130 PolarHBondContact O-NZ 3.08Å; L74-K130 HydrophobicContact CB-CD 4.46Å; L74-K130 HydrophobicContact CD1-CB 4.14Å; L74-K130 HydrophobicContact CD1-CD 4.15Å; I126-K130 PolarHBondContact O-N 3.26Å; I126-K130 VanDerWaalsContact O-N 3.11Å; R127-K130 WeakPolarHBondContact O-CB 3.14Å; R127-K130 PolarHBondContact O-N 3.11Å; R127-K130 VanDerWaalsContact O-N 3.07Å; M128-K130 VanDerWaalsContact C-N 3.29Å; M128-K130 PolarHBondContact O-N 2.99Å; K130-R133 PolarHBondContact O-N 3.24Å; K130-F134 WeakPolarHBondContact O-CD2 3.49Å; K130-F134 PolarHBondContact O-N 3.24Å
131	I	98.4	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-48.6	177.9	-70	161.6	0	0	0	110.9	L74 R127 M128 R133 F134 A135 I138 L153 E157 F160 A161	L74-I131 HydrophobicContact CD1-CG1 4.39Å; L74-I131 HydrophobicContact CD2-CD1 4.32Å; L74-I131 HydrophobicContact CD2-CG1 3.84Å; R127-I131 WeakPolarHBondContact O-CG1 3.48Å; R127-I131 PolarHBondContact O-N 3.11Å; M128-I131 HydrophobicContact CE-CD1 3.45Å; M128-I131 VanDerWaalsContact CE-CD1 3.45Å; M128-I131 PolarHBondContact O-N 3.43Å; M128-I131 VanDerWaalsContact O-N 3.13Å; I131-R133 VanDerWaalsContact C-N 3.28Å; I131-R133 PolarHBondContact O-N 2.71Å; I131-F134 CarbonylContact O-C 3.56Å; I131-F134 PolarHBondContact O-N 2.97Å; I131-A135 WeakPolarHBondContact O-CA 3.44Å; I131-A135 VanDerWaalsContact O-CB 3.3Å; I131-A135 WeakPolarHBondContact O-CB 3.46Å; I131-A135 PolarHBondContact O-N 3.01Å; I131-I138 HydrophobicContact CG1-CD1 4.28Å; I131-L153 HydrophobicContact CD1-CD2 3.5Å; I131-L153 VanDerWaalsContact CD1-CD2 3.5Å; I131-L153 HydrophobicContact CG1-CD2 3.77Å; I131-E157 HydrophobicContact CD1-CB 3.9Å; I131-E157 HydrophobicContact CD1-CG 4.12Å; I131-F160 HydrophobicContact CG2-CD1 3.95Å; I131-F160 HydrophobicContact CG2-CE1 4.1Å; I131-A161 HydrophobicContact CG2-CB 3.64Å
132	E	97.1	Very high	97	Very high	85 Å²	85	47 Å²	47	40%	0.397	22%	0.215	S	C	.	.	H	α-helix	trans	-59.1	-41.3	176.6	-71.4	176.1	174.3	0	0	111.9	M128 F160 Y164	M128-E132 WeakPolarHBondContact O-CG 3.41Å; M128-E132 PolarHBondContact O-N 3.44Å; E132-F160 HydrophobicContact CG-CE1 3.94Å; E132-F160 HydrophobicContact CG-CZ 3.94Å; E132-Y164 HydrophobicContact CB-CE1 4.19Å; E132-Y164 HydrophobicContact CB-CE2 4.46Å; E132-Y164 HydrophobicContact CG-CD2 4.37Å; E132-Y164 HydrophobicContact CG-CE1 4.45Å; E132-Y164 HydrophobicContact CG-CE2 4.06Å; E132-Y164 WeakPolarHBondContact O-CE1 3.23Å
133	R	96.5	Very high	96.8	Very high	177 Å²	177	52.7 Å²	52.7	67%	0.668	23%	0.234	S	C	*	.	H	α-helix	trans	-70.4	-33.3	-176.8	-171	174.3	-177.9	-179.1	1.5	113.4	K129 K130 I131	K129-R133 WeakPolarHBondContact O-CB 3.45Å; K129-R133 PolarHBondContact O-N 3.4Å; K130-R133 PolarHBondContact O-N 3.24Å; I131-R133 VanDerWaalsContact C-N 3.28Å; I131-R133 PolarHBondContact O-N 2.71Å
134	F	96.7	Very high	96.7	Very high	16 Å²	16	56.9 Å²	56.9	7%	0.07	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	32.2	-171.3	-51.7	-62.1	0	0	0	112.1	K130 I131 E136 H137 I138 F194 P196	K130-F134 WeakPolarHBondContact O-CD2 3.49Å; K130-F134 PolarHBondContact O-N 3.24Å; I131-F134 CarbonylContact O-C 3.56Å; I131-F134 PolarHBondContact O-N 2.97Å; F134-E136 PolarHBondContact O-N 2.98Å; F134-H137 HydrophobicContact CB-CB 4.46Å; F134-H137 PolarHBondContact O-N 3.43Å; F134-I138 HydrophobicContact CB-CD1 3.81Å; F134-I138 HydrophobicContact CB-CG1 4.13Å; F134-I138 WeakPolarHBondContact O-CG1 3.39Å; F134-I138 PolarHBondContact O-N 2.9Å; F134-F194 HydrophobicContact CD1-CB 4.06Å; F134-F194 WeakPolarHBondContact CD1-O 3.13Å; F134-F194 HydrophobicContact CE1-CB 4.5Å; F134-P196 HydrophobicContact CD1-CB 4.47Å; F134-P196 HydrophobicContact CD2-CB 4.17Å; F134-P196 HydrophobicContact CE1-CB 4.2Å; F134-P196 HydrophobicContact CE2-CB 3.88Å; F134-P196 HydrophobicContact CG-CB 4.45Å; F134-P196 HydrophobicContact CZ-CB 3.88Å
135	A	95.6	Very high	96.5	Very high	9 Å²	9	57 Å²	57	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-54.5	-52.6	-168.4	0	0	0	0	0	113.6	I131 H137 I138 L139 Y164	I131-A135 WeakPolarHBondContact O-CA 3.44Å; I131-A135 VanDerWaalsContact O-CB 3.3Å; I131-A135 WeakPolarHBondContact O-CB 3.46Å; I131-A135 PolarHBondContact O-N 3.01Å; A135-H137 VanDerWaalsContact C-N 3.34Å; A135-H137 PolarHBondContact O-N 3.35Å; A135-I138 PolarHBondContact O-N 3.47Å; A135-L139 WeakPolarHBondContact O-CB 3.45Å; A135-L139 VanDerWaalsContact O-CG 3.25Å; A135-L139 WeakPolarHBondContact O-CG 3.33Å; A135-L139 PolarHBondContact O-N 3.11Å; A135-Y164 HydrophobicContact CB-CD1 3.95Å; A135-Y164 HydrophobicContact CB-CE1 4.32Å
136	E	94.9	Very high	96.3	Very high	20 Å²	20	54.9 Å²	54.9	9%	0.093	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-40.7	-179.4	-65	-64.7	166.5	0	0	112.1	F134 A140 S165 R169 L192 T193	F134-E136 PolarHBondContact O-N 2.98Å; E136-A140 WeakPolarHBondContact O-CB 3.44Å; E136-A140 PolarHBondContact O-N 2.87Å; E136-S165 WeakPolarHBondContact OE1-CB 3.35Å; E136-S165 PolarHBondContact OE1-OG 2.77Å; E136-R169 IonicContact OE1-NH2 2.74Å; E136-R169 PolarHBondContact OE1-NH2 3.46Å; E136-R169 IonicContact OE2-NH2 2.82Å; E136-L192 HydrophobicContact CG-CB 4.31Å; E136-T193 HydrophobicContact CB-CG2 4.22Å; E136-T193 WeakPolarHBondContact CB-OG1 3.28Å
137	H	95.7	Very high	95.9	Very high	24 Å²	24	58.7 Å²	58.7	11%	0.111	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-49.8	177.8	168.5	64.6	0	0	0	111.3	F134 A135 L139 A140 E141 T193 F194 H195 P196	F134-H137 HydrophobicContact CB-CB 4.46Å; F134-H137 PolarHBondContact O-N 3.43Å; A135-H137 VanDerWaalsContact C-N 3.34Å; A135-H137 PolarHBondContact O-N 3.35Å; H137-L139 VanDerWaalsContact C-N 3.34Å; H137-L139 PolarHBondContact O-N 3.42Å; H137-A140 WeakPolarHBondContact O-CB 3.5Å; H137-A140 PolarHBondContact O-N 2.92Å; H137-A140 VanDerWaalsContact O-N 3.14Å; H137-E141 IonicContact CE1-OE1 3.05Å; H137-E141 PolarHBondContact CE1-OE1 3.3Å; H137-E141 IonicContact NE2-OE1 3.22Å; H137-E141 PolarHBondContact NE2-OE1 2.96Å; H137-E141 IonicContact NE2-OE2 3.67Å; H137-E141 PolarHBondContact O-N 3.28Å; H137-T193 HydrophobicContact CB-CG2 3.64Å; H137-F194 WeakPolarHBondContact CB-O 3.42Å; H137-H195 AromaticContact CE1-ND1 3.83Å; H137-H195 AromaticContact CG-ND1 3.64Å; H137-H195 AromaticContact ND1-CE1 3.75Å; H137-H195 AromaticContact ND1-ND1 3.16Å; H137-H195 PolarHBondContact ND1-ND1 3.22Å; H137-H195 VanDerWaalsContact ND1-ND1 3.16Å; H137-P196 WeakPolarHBondContact CD2-CD 3.39Å; H137-P196 WeakPolarHBondContact NE2-CD 3.43Å; H137-P196 WeakPolarHBondContact NE2-CG 3.39Å
138	I	96.5	Very high	95.7	Very high	4 Å²	4	66 Å²	66	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-40.3	-179.5	-66.4	162.4	0	0	0	110.5	L74 I131 F134 A135 A140 E141 E142 L153	L74-I138 HydrophobicContact CB-CD1 4.18Å; L74-I138 HydrophobicContact CD2-CD1 3.98Å; L74-I138 HydrophobicContact CD2-CG1 4.42Å; L74-I138 HydrophobicContact CD2-CG2 3.88Å; I131-I138 HydrophobicContact CG1-CD1 4.28Å; F134-I138 HydrophobicContact CB-CD1 3.81Å; F134-I138 HydrophobicContact CB-CG1 4.13Å; F134-I138 WeakPolarHBondContact O-CG1 3.39Å; F134-I138 PolarHBondContact O-N 2.9Å; A135-I138 PolarHBondContact O-N 3.47Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 3.46Å; I138-E141 PolarHBondContact O-N 3.02Å; I138-E142 WeakPolarHBondContact O-CB 3.37Å; I138-E142 PolarHBondContact O-N 3.5Å; I138-L153 HydrophobicContact CG2-CD1 3.69Å; I138-L153 HydrophobicContact CG2-CD2 3.98Å; I138-L153 HydrophobicContact CG2-CG 3.91Å
139	L	96.2	Very high	95.3	Very high	11 Å²	11	68.1 Å²	68.1	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-33.9	174.9	-74.2	171.7	0	0	0	112.3	A135 H137 R143 Y158 A161	A135-L139 WeakPolarHBondContact O-CB 3.45Å; A135-L139 VanDerWaalsContact O-CG 3.25Å; A135-L139 WeakPolarHBondContact O-CG 3.33Å; A135-L139 PolarHBondContact O-N 3.11Å; H137-L139 VanDerWaalsContact C-N 3.34Å; H137-L139 PolarHBondContact O-N 3.42Å; L139-R143 WeakPolarHBondContact O-CB 3.3Å; L139-R143 VanDerWaalsContact O-CG 3.23Å; L139-R143 WeakPolarHBondContact O-CG 3.11Å; L139-R143 PolarHBondContact O-N 3.1Å; L139-R143 VanDerWaalsContact O-N 3.15Å; L139-R143 PolarHBondContact O-NE 2.7Å; L139-Y158 HydrophobicContact CD2-CD2 4.03Å; L139-Y158 HydrophobicContact CD2-CE2 3.8Å; L139-A161 HydrophobicContact CD1-CB 4.4Å; L139-A161 HydrophobicContact CD2-CB 3.89Å; L139-A161 HydrophobicContact CG-CB 4.11Å
140	A	94.4	Very high	95.1	Very high	43 Å²	43	63.1 Å²	63.1	36%	0.355	32%	0.323	S	S	.	.	H	α-helix	trans	-67.9	-47.4	173.1	0	0	0	0	0	111.2	E136 H137 I138 E142 R143 S144	E136-A140 WeakPolarHBondContact O-CB 3.44Å; E136-A140 PolarHBondContact O-N 2.87Å; H137-A140 WeakPolarHBondContact O-CB 3.5Å; H137-A140 PolarHBondContact O-N 2.92Å; H137-A140 VanDerWaalsContact O-N 3.14Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 3.46Å; A140-E142 PolarHBondContact O-N 3.33Å; A140-R143 PolarHBondContact O-N 2.54Å; A140-S144 PolarHBondContact O-N 2.91Å; A140-S144 PolarHBondContact O-OG 3.36Å
141	E	94.4	Very high	94.9	Very high	73 Å²	73	64.4 Å²	64.4	34%	0.341	33%	0.333	S	S	.	.	H	α-helix	trans	-57.1	-49.3	175.8	-74.3	-170.7	152.9	0	0	111.4	H137 I138 R143 S144 R145	H137-E141 IonicContact CE1-OE1 3.05Å; H137-E141 PolarHBondContact CE1-OE1 3.3Å; H137-E141 IonicContact NE2-OE1 3.22Å; H137-E141 PolarHBondContact NE2-OE1 2.96Å; H137-E141 IonicContact NE2-OE2 3.67Å; H137-E141 PolarHBondContact O-N 3.28Å; I138-E141 PolarHBondContact O-N 3.02Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 2.94Å; E141-S144 WeakPolarHBondContact CA-OG 3.34Å; E141-S144 CarbonylContact O-C 3.52Å; E141-S144 PolarHBondContact O-N 3.49Å; E141-S144 PolarHBondContact O-OG 3.26Å; E141-R145 PolarHBondContact O-N 3.01Å
142	E	95.8	Very high	94.8	Very high	24 Å²	24	66.7 Å²	66.7	11%	0.112	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-31.7	-179.2	-167.8	61.2	-143	0	0	112.4	I138 A140 R145 H152 L153 Y158	I138-E142 WeakPolarHBondContact O-CB 3.37Å; I138-E142 PolarHBondContact O-N 3.5Å; A140-E142 PolarHBondContact O-N 3.33Å; E142-R145 IonicContact OE1-CZ 2.71Å; E142-R145 IonicContact OE1-NE 3.55Å; E142-R145 PolarHBondContact OE1-NE 2.96Å; E142-R145 IonicContact OE1-NH2 3.6Å; E142-R145 PolarHBondContact OE1-NH2 3.04Å; E142-R145 IonicContact OE2-NE 3.41Å; E142-H152 PolarHBondContact OE2-N 2.92Å; E142-H152 IonicContact OE2-ND1 2.81Å; E142-L153 HydrophobicContact CB-CD1 4.32Å; E142-L153 HydrophobicContact CG-CD1 4.24Å; E142-Y158 HydrophobicContact CG-CD2 4.03Å; E142-Y158 HydrophobicContact CG-CE2 4.21Å
143	R	94.3	Very high	94.8	Very high	149 Å²	149	63 Å²	63	56%	0.562	33%	0.327	S	S	*	.	H	α-helix	trans	-70.2	-34.5	172.5	-79.5	179.9	-71.8	-177.6	-1.2	112.8	L139 A140 E141	L139-R143 WeakPolarHBondContact O-CB 3.3Å; L139-R143 VanDerWaalsContact O-CG 3.23Å; L139-R143 WeakPolarHBondContact O-CG 3.11Å; L139-R143 PolarHBondContact O-N 3.1Å; L139-R143 VanDerWaalsContact O-N 3.15Å; L139-R143 PolarHBondContact O-NE 2.7Å; A140-R143 PolarHBondContact O-N 2.54Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 2.94Å
144	S	95	Very high	94.8	Very high	92 Å²	92	55.6 Å²	55.6	64%	0.643	30%	0.301	S	S	*	.	H	α-helix	trans	-87.2	-9.5	-179.8	65.7	0	0	0	0	114.1	A140 E141	A140-S144 PolarHBondContact O-N 2.91Å; A140-S144 PolarHBondContact O-OG 3.36Å; E141-S144 WeakPolarHBondContact CA-OG 3.34Å; E141-S144 CarbonylContact O-C 3.52Å; E141-S144 PolarHBondContact O-N 3.49Å; E141-S144 PolarHBondContact O-OG 3.26Å
145	R	94.5	Very high	94.8	Very high	71 Å²	71	60 Å²	60	27%	0.268	33%	0.329	S	S	.	.			trans	-60.6	136.6	-177.3	-178	-178.6	58.7	101.7	-2.5	111.2	E141 E142 E149	E141-R145 PolarHBondContact O-N 3.01Å; E142-R145 IonicContact OE1-CZ 2.71Å; E142-R145 IonicContact OE1-NE 3.55Å; E142-R145 PolarHBondContact OE1-NE 2.96Å; E142-R145 IonicContact OE1-NH2 3.6Å; E142-R145 PolarHBondContact OE1-NH2 3.04Å; E142-R145 IonicContact OE2-NE 3.41Å; R145-E149 HydrophobicContact CG-CB 3.9Å; R145-E149 PolarHBondContact NH1-O 3.29Å
146	N	94.5	Very high	94.9	Very high	100 Å²	100	65.7 Å²	65.7	54%	0.535	35%	0.354	S	S	.	.			trans	-69.6	141.6	171	-66.6	-51.1	0	0	0	110.6	N148 E149	N146-N148 PolarHBondContact O-N 2.91Å; N146-E149 HydrophobicContact CB-CG 4.14Å; N146-E149 PolarHBondContact ND2-OE1 2.93Å; N146-E149 PolarHBondContact O-N 3.49Å
147	S	90.9	Very high	95.1	Very high	109 Å²	109	65.6 Å²	65.6	76%	0.762	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.6	179.4	56.9	0	0	0	0	114.4
148	N	92.8	Very high	95.2	Very high	154 Å²	154	68.2 Å²	68.2	82%	0.824	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.2	-178.8	-59.1	-14.6	0	0	0	113.3	N146	N146-N148 PolarHBondContact O-N 2.91Å
149	E	91.5	Very high	95.2	Very high	94 Å²	94	73.1 Å²	73.1	44%	0.439	39%	0.389	S	S	.	.	S	Bend	trans	-87.5	147.8	177.1	-70.2	165.9	-164.5	0	0	110	R145 N146	R145-E149 HydrophobicContact CG-CB 3.9Å; R145-E149 PolarHBondContact NH1-O 3.29Å; N146-E149 HydrophobicContact CB-CG 4.14Å; N146-E149 PolarHBondContact ND2-OE1 2.93Å; N146-E149 PolarHBondContact O-N 3.49Å
150	S	92.9	Very high	95.3	Very high	49 Å²	49	76 Å²	76	34%	0.343	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-67.2	140.3	175.9	-58.9	0	0	0	0	111.2
151	P	95.4	Very high	95.5	Very high	49 Å²	49	74 Å²	74	32%	0.318	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-67	144.8	-178.5	28.2	-34.9	0	0	0	112.2	T76 A77 L153	T76-P151 WeakPolarHBondContact CG2-O 3.4Å; A77-P151 PolarHBondContact N-O 3.38Å; P151-L153 VanDerWaalsContact C-N 3.34Å
152	H	95.5	Very high	95.6	Very high	47 Å²	47	75.7 Å²	75.7	22%	0.218	39%	0.391	C	S	.	.	S	Bend	trans	-79.6	-23.7	172.9	-66	94.1	0	0	0	111.9	L74 R127 E142	L74-H152 HydrophobicContact CD2-CB 4.47Å; R127-H152 PolarHBondContact NH2-O 3.37Å; E142-H152 PolarHBondContact OE2-N 2.92Å; E142-H152 IonicContact OE2-ND1 2.81Å
153	L	97.6	Very high	95.8	Very high	8 Å²	8	78 Å²	78	4%	0.042	41%	0.409	C	S	.	.	S	Bend	trans	-118.2	143.1	-176.1	-66.3	168.6	0	0	0	111	L74 I131 I138 E142 P151 E157 Y158	L74-L153 HydrophobicContact CD2-CD2 3.66Å; L74-L153 HydrophobicContact CD2-CG 4.35Å; I131-L153 HydrophobicContact CD1-CD2 3.5Å; I131-L153 VanDerWaalsContact CD1-CD2 3.5Å; I131-L153 HydrophobicContact CG1-CD2 3.77Å; I138-L153 HydrophobicContact CG2-CD1 3.69Å; I138-L153 HydrophobicContact CG2-CD2 3.98Å; I138-L153 HydrophobicContact CG2-CG 3.91Å; E142-L153 HydrophobicContact CB-CD1 4.32Å; E142-L153 HydrophobicContact CG-CD1 4.24Å; P151-L153 VanDerWaalsContact C-N 3.34Å; L153-E157 WeakPolarHBondContact CA-OE2 3.14Å; L153-E157 HydrophobicContact CB-CB 4.15Å; L153-E157 HydrophobicContact CD2-CB 3.74Å; L153-Y158 HydrophobicContact CD1-CD2 3.97Å
154	T	96.7	Very high	95.9	Very high	21 Å²	21	74.5 Å²	74.5	13%	0.129	40%	0.397	C	S	.	.			trans	-69.2	168	158.2	84.3	0	0	0	0	110.2	A77 E156 E157 Y158	A77-T154 HydrophobicContact CB-CG2 3.99Å; T154-E156 VanDerWaalsContact C-N 3.28Å; T154-E156 VanDerWaalsContact CB-OE2 3.3Å; T154-E156 WeakPolarHBondContact CB-OE2 3.33Å; T154-E156 PolarHBondContact O-N 2.8Å; T154-E156 PolarHBondContact OG1-N 2.82Å; T154-E156 PolarHBondContact OG1-OE2 3.04Å; T154-E157 HydrophobicContact CG2-CG 4.26Å; T154-E157 PolarHBondContact N-OE2 2.77Å; T154-E157 PolarHBondContact O-N 3.35Å; T154-E157 WeakPolarHBondContact OG1-CG 3.3Å; T154-E157 PolarHBondContact OG1-N 3.2Å; T154-Y158 WeakPolarHBondContact O-CB 3.27Å; T154-Y158 PolarHBondContact O-N 2.88Å
155	V	96.1	Very high	95.9	Very high	108 Å²	108	70.5 Å²	70.5	66%	0.655	37%	0.369	S	S	*	.	H	α-helix	trans	-58.8	-43.9	176.6	178.1	0	0	0	0	110.7	Y158 L159	V155-Y158 PolarHBondContact O-N 3.22Å; V155-L159 HydrophobicContact CG1-CD1 4.31Å; V155-L159 VanDerWaalsContact O-CG 3.31Å; V155-L159 WeakPolarHBondContact O-CG 3.5Å; V155-L159 PolarHBondContact O-N 3.39Å
156	E	97.3	Very high	95.9	Very high	130 Å²	130	71.1 Å²	71.1	61%	0.607	38%	0.378	S	S	*	.	H	α-helix	trans	-65.1	-42.7	178.7	-55.9	75	-164.9	0	0	111.3	T154 Y158 L159 F160	T154-E156 VanDerWaalsContact C-N 3.28Å; T154-E156 VanDerWaalsContact CB-OE2 3.3Å; T154-E156 WeakPolarHBondContact CB-OE2 3.33Å; T154-E156 PolarHBondContact O-N 2.8Å; T154-E156 PolarHBondContact OG1-N 2.82Å; T154-E156 PolarHBondContact OG1-OE2 3.04Å; E156-Y158 VanDerWaalsContact C-N 3.33Å; E156-Y158 PolarHBondContact O-N 2.9Å; E156-L159 PolarHBondContact O-N 2.72Å; E156-F160 WeakPolarHBondContact O-CB 3.24Å; E156-F160 PolarHBondContact O-N 3.44Å
157	E	98.3	Very high	96	Very high	17 Å²	17	69.5 Å²	69.5	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-39.3	176.8	-65.4	-177.1	141.7	0	0	111.6	R127 M128 I131 L153 T154 F160 A161	R127-E157 IonicContact CZ-OE1 3.33Å; R127-E157 IonicContact CZ-OE2 3.15Å; R127-E157 IonicContact NE-OE1 3.92Å; R127-E157 PolarHBondContact NE-OE1 3.3Å; R127-E157 IonicContact NE-OE2 3.78Å; R127-E157 IonicContact NH2-OE1 2.72Å; R127-E157 PolarHBondContact NH2-OE1 2.74Å; R127-E157 IonicContact NH2-OE2 2.71Å; R127-E157 PolarHBondContact NH2-OE2 2.69Å; M128-E157 HydrophobicContact CE-CB 4.21Å; M128-E157 HydrophobicContact CE-CG 3.55Å; I131-E157 HydrophobicContact CD1-CB 3.9Å; I131-E157 HydrophobicContact CD1-CG 4.12Å; L153-E157 WeakPolarHBondContact CA-OE2 3.14Å; L153-E157 HydrophobicContact CB-CB 4.15Å; L153-E157 HydrophobicContact CD2-CB 3.74Å; T154-E157 HydrophobicContact CG2-CG 4.26Å; T154-E157 PolarHBondContact N-OE2 2.77Å; T154-E157 PolarHBondContact O-N 3.35Å; T154-E157 WeakPolarHBondContact OG1-CG 3.3Å; T154-E157 PolarHBondContact OG1-N 3.2Å; E157-F160 PolarHBondContact O-N 3.33Å; E157-A161 WeakPolarHBondContact O-CB 3.35Å; E157-A161 PolarHBondContact O-N 2.99Å
158	Y	98	Very high	96.2	Very high	79 Å²	79	67.5 Å²	67.5	31%	0.31	35%	0.354	S	S	.	.	H	α-helix	trans	-64.2	-45.7	175.4	-179.3	-92.5	0	0	0	112.1	L139 E142 L153 T154 V155 E156 F160 A161 K162	L139-Y158 HydrophobicContact CD2-CD2 4.03Å; L139-Y158 HydrophobicContact CD2-CE2 3.8Å; E142-Y158 HydrophobicContact CG-CD2 4.03Å; E142-Y158 HydrophobicContact CG-CE2 4.21Å; L153-Y158 HydrophobicContact CD1-CD2 3.97Å; T154-Y158 WeakPolarHBondContact O-CB 3.27Å; T154-Y158 PolarHBondContact O-N 2.88Å; V155-Y158 PolarHBondContact O-N 3.22Å; E156-Y158 VanDerWaalsContact C-N 3.33Å; E156-Y158 PolarHBondContact O-N 2.9Å; Y158-F160 VanDerWaalsContact C-N 3.32Å; Y158-F160 PolarHBondContact O-N 2.88Å; Y158-A161 PolarHBondContact O-N 3.14Å; Y158-K162 WeakPolarHBondContact O-CB 3.4Å; Y158-K162 PolarHBondContact O-N 3.36Å
159	L	98.1	Very high	96.1	Very high	108 Å²	108	63.6 Å²	63.6	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-61.2	-43.4	176.1	-69.8	173.8	0	0	0	111.3	V155 E156 S163	V155-L159 HydrophobicContact CG1-CD1 4.31Å; V155-L159 VanDerWaalsContact O-CG 3.31Å; V155-L159 WeakPolarHBondContact O-CG 3.5Å; V155-L159 PolarHBondContact O-N 3.39Å; E156-L159 PolarHBondContact O-N 2.72Å; L159-S163 WeakPolarHBondContact O-CB 3.4Å; L159-S163 PolarHBondContact O-N 3.32Å
160	F	98.4	Very high	96.3	Very high	72 Å²	72	65.4 Å²	65.4	32%	0.316	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-51.8	174.7	172.5	-98.1	0	0	0	111.6	M128 I131 E132 E156 E157 Y158 K162 S163 Y164	M128-F160 HydrophobicContact SD-CD1 3.71Å; M128-F160 HydrophobicContact SD-CE1 3.83Å; M128-F160 HydrophobicContact SD-CG 4.19Å; M128-F160 HydrophobicContact SD-CZ 4.38Å; I131-F160 HydrophobicContact CG2-CD1 3.95Å; I131-F160 HydrophobicContact CG2-CE1 4.1Å; E132-F160 HydrophobicContact CG-CE1 3.94Å; E132-F160 HydrophobicContact CG-CZ 3.94Å; E156-F160 WeakPolarHBondContact O-CB 3.24Å; E156-F160 PolarHBondContact O-N 3.44Å; E157-F160 PolarHBondContact O-N 3.33Å; Y158-F160 VanDerWaalsContact C-N 3.32Å; Y158-F160 PolarHBondContact O-N 2.88Å; F160-K162 VanDerWaalsContact C-N 3.29Å; F160-K162 PolarHBondContact O-N 3.09Å; F160-S163 PolarHBondContact O-N 3.45Å; F160-S163 VanDerWaalsContact O-N 3.15Å; F160-Y164 HydrophobicContact CZ-CD2 4.36Å; F160-Y164 VanDerWaalsContact O-CB 3.29Å; F160-Y164 WeakPolarHBondContact O-CB 3.24Å; F160-Y164 PolarHBondContact O-N 3.14Å
161	A	97.7	Very high	96.4	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-56.1	-44.4	-179.1	0	0	0	0	0	111.7	I131 L139 E157 Y158 Y164 S165	I131-A161 HydrophobicContact CG2-CB 3.64Å; L139-A161 HydrophobicContact CD1-CB 4.4Å; L139-A161 HydrophobicContact CD2-CB 3.89Å; L139-A161 HydrophobicContact CG-CB 4.11Å; E157-A161 WeakPolarHBondContact O-CB 3.35Å; E157-A161 PolarHBondContact O-N 2.99Å; Y158-A161 PolarHBondContact O-N 3.14Å; A161-Y164 PolarHBondContact O-N 2.72Å; A161-S165 WeakPolarHBondContact O-CB 3.1Å; A161-S165 PolarHBondContact O-N 2.65Å
162	K	97.4	Very high	96.3	Very high	109 Å²	109	69.6 Å²	69.6	47%	0.474	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-46.3	177.2	-173.6	176.6	-178.7	178	0	112.1	Y158 F160 Y164 N166	Y158-K162 WeakPolarHBondContact O-CB 3.4Å; Y158-K162 PolarHBondContact O-N 3.36Å; F160-K162 VanDerWaalsContact C-N 3.29Å; F160-K162 PolarHBondContact O-N 3.09Å; K162-Y164 VanDerWaalsContact C-N 3.33Å; K162-Y164 PolarHBondContact O-N 3.13Å; K162-N166 WeakPolarHBondContact O-CB 3.5Å; K162-N166 VanDerWaalsContact O-CG 3.26Å; K162-N166 PolarHBondContact O-N 3.31Å; K162-N166 VanDerWaalsContact O-N 3.1Å; K162-N166 PolarHBondContact O-ND2 3.33Å
163	S	98.1	Very high	96.2	Very high	73 Å²	73	72.9 Å²	72.9	51%	0.51	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-41.8	177.7	-171	0	0	0	0	111.6	L159 F160 S167	L159-S163 WeakPolarHBondContact O-CB 3.4Å; L159-S163 PolarHBondContact O-N 3.32Å; F160-S163 PolarHBondContact O-N 3.45Å; F160-S163 VanDerWaalsContact O-N 3.15Å; S163-S167 WeakPolarHBondContact O-CB 3.48Å; S163-S167 PolarHBondContact O-N 2.72Å; S163-S167 PolarHBondContact O-OG 3.47Å
164	Y	97.2	Very high	96.1	Very high	74 Å²	74	76 Å²	76	29%	0.29	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-53.2	179.3	178.9	-97.4	0	0	0	111.5	E132 A135 F160 A161 K162 N166 S167 I168	E132-Y164 HydrophobicContact CB-CE1 4.19Å; E132-Y164 HydrophobicContact CB-CE2 4.46Å; E132-Y164 HydrophobicContact CG-CD2 4.37Å; E132-Y164 HydrophobicContact CG-CE1 4.45Å; E132-Y164 HydrophobicContact CG-CE2 4.06Å; E132-Y164 WeakPolarHBondContact O-CE1 3.23Å; A135-Y164 HydrophobicContact CB-CD1 3.95Å; A135-Y164 HydrophobicContact CB-CE1 4.32Å; F160-Y164 HydrophobicContact CZ-CD2 4.36Å; F160-Y164 VanDerWaalsContact O-CB 3.29Å; F160-Y164 WeakPolarHBondContact O-CB 3.24Å; F160-Y164 PolarHBondContact O-N 3.14Å; A161-Y164 PolarHBondContact O-N 2.72Å; K162-Y164 VanDerWaalsContact C-N 3.33Å; K162-Y164 PolarHBondContact O-N 3.13Å; Y164-N166 VanDerWaalsContact C-N 3.34Å; Y164-N166 PolarHBondContact O-N 3.28Å; Y164-S167 PolarHBondContact O-N 2.91Å; Y164-S167 VanDerWaalsContact O-N 3.13Å; Y164-I168 HydrophobicContact CD1-CG1 4.41Å; Y164-I168 HydrophobicContact CE1-CG1 4Å; Y164-I168 HydrophobicContact CE2-CD1 4.39Å; Y164-I168 HydrophobicContact CE2-CG1 4.28Å; Y164-I168 WeakPolarHBondContact O-CG1 3.08Å; Y164-I168 PolarHBondContact O-N 2.81Å
165	S	95	Very high	96	Very high	9 Å²	9	77.2 Å²	77.2	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-54.9	-47.6	177.1	150.8	0	0	0	0	111.7	E136 A161 S167 I168 R169	E136-S165 WeakPolarHBondContact OE1-CB 3.35Å; E136-S165 PolarHBondContact OE1-OG 2.77Å; A161-S165 WeakPolarHBondContact O-CB 3.1Å; A161-S165 PolarHBondContact O-N 2.65Å; S165-S167 VanDerWaalsContact C-N 3.34Å; S165-S167 PolarHBondContact O-N 3.14Å; S165-I168 PolarHBondContact O-N 2.77Å; S165-R169 WeakPolarHBondContact O-CB 3.1Å; S165-R169 PolarHBondContact O-N 2.92Å
166	N	95.2	Very high	96	Very high	84 Å²	84	76.2 Å²	76.2	45%	0.449	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-42.5	177.9	-73.9	-23.5	0	0	0	112.4	K162 Y164 I168 R169 E170	K162-N166 WeakPolarHBondContact O-CB 3.5Å; K162-N166 VanDerWaalsContact O-CG 3.26Å; K162-N166 PolarHBondContact O-N 3.31Å; K162-N166 VanDerWaalsContact O-N 3.1Å; K162-N166 PolarHBondContact O-ND2 3.33Å; Y164-N166 VanDerWaalsContact C-N 3.34Å; Y164-N166 PolarHBondContact O-N 3.28Å; N166-I168 PolarHBondContact O-N 2.71Å; N166-R169 PolarHBondContact O-N 3.45Å; N166-E170 WeakPolarHBondContact O-CB 3.25Å; N166-E170 PolarHBondContact O-N 3.06Å
167	S	96.3	Very high	95.8	Very high	65 Å²	65	70.7 Å²	70.7	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-63.8	-42.2	179.9	-58	0	0	0	0	111.6	S163 Y164 S165 Y171	S163-S167 WeakPolarHBondContact O-CB 3.48Å; S163-S167 PolarHBondContact O-N 2.72Å; S163-S167 PolarHBondContact O-OG 3.47Å; Y164-S167 PolarHBondContact O-N 2.91Å; Y164-S167 VanDerWaalsContact O-N 3.13Å; S165-S167 VanDerWaalsContact C-N 3.34Å; S165-S167 PolarHBondContact O-N 3.14Å; S167-Y171 VanDerWaalsContact O-CB 3.31Å; S167-Y171 WeakPolarHBondContact O-CB 3.44Å; S167-Y171 PolarHBondContact O-N 2.99Å
168	I	93.8	Very high	95.6	Very high	68 Å²	68	73.7 Å²	73.7	35%	0.349	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-44.7	175.7	-65.3	-61.3	0	0	0	110.8	Y164 S165 N166 Y171 L172	Y164-I168 HydrophobicContact CD1-CG1 4.41Å; Y164-I168 HydrophobicContact CE1-CG1 4Å; Y164-I168 HydrophobicContact CE2-CD1 4.39Å; Y164-I168 HydrophobicContact CE2-CG1 4.28Å; Y164-I168 WeakPolarHBondContact O-CG1 3.08Å; Y164-I168 PolarHBondContact O-N 2.81Å; S165-I168 PolarHBondContact O-N 2.77Å; N166-I168 PolarHBondContact O-N 2.71Å; I168-Y171 PolarHBondContact O-N 3.37Å; I168-L172 HydrophobicContact CG2-CD1 3.98Å; I168-L172 HydrophobicContact CG2-CG 4.39Å; I168-L172 WeakPolarHBondContact O-CB 3.34Å; I168-L172 WeakPolarHBondContact O-CG 3.37Å; I168-L172 PolarHBondContact O-N 3.19Å
169	R	92.1	Very high	95.5	Very high	71 Å²	71	79.4 Å²	79.4	27%	0.268	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-45.9	178.5	-176.1	179.6	-60.4	-113.7	0.1	112.1	E136 S165 N166 L172 K173 D189	E136-R169 IonicContact OE1-NH2 2.74Å; E136-R169 PolarHBondContact OE1-NH2 3.46Å; E136-R169 IonicContact OE2-NH2 2.82Å; S165-R169 WeakPolarHBondContact O-CB 3.1Å; S165-R169 PolarHBondContact O-N 2.92Å; N166-R169 PolarHBondContact O-N 3.45Å; R169-L172 PolarHBondContact O-N 3.41Å; R169-K173 VanDerWaalsContact O-CB 3.28Å; R169-K173 WeakPolarHBondContact O-CB 3.42Å; R169-K173 PolarHBondContact O-N 3.44Å; R169-D189 IonicContact CZ-OD1 2.8Å; R169-D189 IonicContact NH1-OD1 3.17Å; R169-D189 PolarHBondContact NH1-OD1 2.89Å; R169-D189 IonicContact NH2-OD1 3.88Å; R169-D189 PolarHBondContact NH2-OD1 3.37Å
170	E	94.5	Very high	95.3	Very high	133 Å²	133	77.5 Å²	77.5	62%	0.621	38%	0.375	S	S	*	.	H	α-helix	trans	-60.7	-48.3	176.9	-175.9	174.4	-174.8	0	0	110.6	N166 L172 K173 T174	N166-E170 WeakPolarHBondContact O-CB 3.25Å; N166-E170 PolarHBondContact O-N 3.06Å; E170-L172 PolarHBondContact O-N 3.1Å; E170-K173 WeakPolarHBondContact O-CB 3.34Å; E170-K173 PolarHBondContact O-N 3.22Å; E170-K173 VanDerWaalsContact O-N 3.11Å; E170-T174 HydrophobicContact CG-CG2 4.37Å; E170-T174 WeakPolarHBondContact O-CG2 3.34Å; E170-T174 PolarHBondContact O-N 3.27Å; E170-T174 PolarHBondContact O-OG1 3.1Å; E170-T174 VanDerWaalsContact O-OG1 3.12Å
171	Y	95.3	Very high	95.2	Very high	143 Å²	143	77.6 Å²	77.6	56%	0.561	38%	0.383	S	S	*	.	H	α-helix	trans	-57.9	-47.2	178	173.2	-104.5	0	0	0	112.8	S167 I168 K173 T174 T175	S167-Y171 VanDerWaalsContact O-CB 3.31Å; S167-Y171 WeakPolarHBondContact O-CB 3.44Å; S167-Y171 PolarHBondContact O-N 2.99Å; I168-Y171 PolarHBondContact O-N 3.37Å; Y171-K173 VanDerWaalsContact C-N 3.3Å; Y171-K173 PolarHBondContact O-N 2.9Å; Y171-T174 PolarHBondContact O-OG1 3.44Å; Y171-T175 HydrophobicContact CE2-CG2 4.47Å; Y171-T175 WeakPolarHBondContact CE2-OG1 3.42Å; Y171-T175 WeakPolarHBondContact O-CB 3.01Å; Y171-T175 PolarHBondContact O-N 3.26Å; Y171-T175 PolarHBondContact O-OG1 3.19Å
172	L	93.3	Very high	95	Very high	43 Å²	43	81.8 Å²	81.8	23%	0.225	42%	0.418	C	S	.	.	H	α-helix	trans	-61.5	-42.3	176.3	-71.6	173.9	0	0	0	110.8	I168 R169 E170 I176 I177 L192	I168-L172 HydrophobicContact CG2-CD1 3.98Å; I168-L172 HydrophobicContact CG2-CG 4.39Å; I168-L172 WeakPolarHBondContact O-CB 3.34Å; I168-L172 WeakPolarHBondContact O-CG 3.37Å; I168-L172 PolarHBondContact O-N 3.19Å; R169-L172 PolarHBondContact O-N 3.41Å; E170-L172 PolarHBondContact O-N 3.1Å; L172-I176 HydrophobicContact CD2-CD1 4.13Å; L172-I176 PolarHBondContact O-N 2.97Å; L172-I177 HydrophobicContact CB-CD1 4.28Å; L172-I177 WeakPolarHBondContact O-CG1 3.35Å; L172-I177 PolarHBondContact O-N 2.89Å; L172-L192 HydrophobicContact CD1-CD2 3.7Å
173	K	93.6	Very high	94.8	Very high	115 Å²	115	82.7 Å²	82.7	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-61.1	-51.4	179.9	-170.7	176.9	-178.9	-179.4	0	112.6	R169 E170 Y171 I177 N178	R169-K173 VanDerWaalsContact O-CB 3.28Å; R169-K173 WeakPolarHBondContact O-CB 3.42Å; R169-K173 PolarHBondContact O-N 3.44Å; E170-K173 WeakPolarHBondContact O-CB 3.34Å; E170-K173 PolarHBondContact O-N 3.22Å; E170-K173 VanDerWaalsContact O-N 3.11Å; Y171-K173 VanDerWaalsContact C-N 3.3Å; Y171-K173 PolarHBondContact O-N 2.9Å; K173-I177 HydrophobicContact CB-CD1 4Å; K173-I177 HydrophobicContact CG-CD1 4.46Å; K173-N178 WeakPolarHBondContact CG-OD1 3.39Å; K173-N178 WeakPolarHBondContact O-CB 3.48Å; K173-N178 PolarHBondContact O-N 3.37Å; K173-N178 PolarHBondContact O-ND2 3.02Å; K173-N178 PolarHBondContact O-OD1 3.31Å
174	T	95.3	Very high	94.5	Very high	75 Å²	75	84.3 Å²	84.3	46%	0.46	43%	0.428	S	S	.	.	H	α-helix	trans	-70.1	-35.9	-177.4	56	0	0	0	0	112.5	E170 Y171	E170-T174 HydrophobicContact CG-CG2 4.37Å; E170-T174 WeakPolarHBondContact O-CG2 3.34Å; E170-T174 PolarHBondContact O-N 3.27Å; E170-T174 PolarHBondContact O-OG1 3.1Å; E170-T174 VanDerWaalsContact O-OG1 3.12Å; Y171-T174 PolarHBondContact O-OG1 3.44Å
175	T	96	Very high	94.3	Very high	45 Å²	45	84.8 Å²	84.8	28%	0.276	43%	0.433	S	S	.	.	H	α-helix	trans	-87.9	-39.4	-170.9	-51.5	0	0	0	0	112.5	Y171 R179	Y171-T175 HydrophobicContact CE2-CG2 4.47Å; Y171-T175 WeakPolarHBondContact CE2-OG1 3.42Å; Y171-T175 WeakPolarHBondContact O-CB 3.01Å; Y171-T175 PolarHBondContact O-N 3.26Å; Y171-T175 PolarHBondContact O-OG1 3.19Å; T175-R179 WeakPolarHBondContact O-CD 3.42Å; T175-R179 PolarHBondContact O-NE 2.96Å
176	I	94.7	Very high	93.9	Very high	88 Å²	88	88.5 Å²	88.5	45%	0.451	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-61	-170	-55.7	176.5	0	0	0	110.6	L172 N178 R179 L180	L172-I176 HydrophobicContact CD2-CD1 4.13Å; L172-I176 PolarHBondContact O-N 2.97Å; I176-N178 PolarHBondContact O-N 3.05Å; I176-R179 WeakPolarHBondContact O-CB 3.41Å; I176-R179 PolarHBondContact O-N 3.22Å; I176-L180 HydrophobicContact CG2-CD1 4.41Å; I176-L180 PolarHBondContact O-N 3.03Å
177	I	93.3	Very high	93.3	Very high	14 Å²	14	87.4 Å²	87.4	7%	0.072	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-59.5	-47	-164.6	-54.3	170.6	0	0	0	111.6	L172 K173 R179 L180 Q185 I187	L172-I177 HydrophobicContact CB-CD1 4.28Å; L172-I177 WeakPolarHBondContact O-CG1 3.35Å; L172-I177 PolarHBondContact O-N 2.89Å; K173-I177 HydrophobicContact CB-CD1 4Å; K173-I177 HydrophobicContact CG-CD1 4.46Å; I177-R179 PolarHBondContact O-N 3.15Å; I177-L180 WeakPolarHBondContact O-CB 3.44Å; I177-L180 PolarHBondContact O-N 3.21Å; I177-Q185 VanDerWaalsContact CG2-C 3.44Å; I177-Q185 VanDerWaalsContact CG2-CA 3.44Å; I177-Q185 HydrophobicContact CG2-CB 4.07Å; I177-Q185 WeakPolarHBondContact CG2-O 3.39Å; I177-Q185 WeakPolarHBondContact O-CG 3.49Å; I177-I187 HydrophobicContact CD1-CB 4.32Å; I177-I187 HydrophobicContact CD1-CD1 3.13Å; I177-I187 HydrophobicContact CD1-CG1 3.61Å; I177-I187 HydrophobicContact CG1-CD1 3.6Å; I177-I187 HydrophobicContact CG1-CG1 4.13Å
178	N	94.5	Very high	92.7	Very high	79 Å²	79	90.1 Å²	90.1	42%	0.422	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-63.4	-13.8	-178.4	-69.6	-12.6	0	0	0	113.7	K173 I176 Q185	K173-N178 WeakPolarHBondContact CG-OD1 3.39Å; K173-N178 WeakPolarHBondContact O-CB 3.48Å; K173-N178 PolarHBondContact O-N 3.37Å; K173-N178 PolarHBondContact O-ND2 3.02Å; K173-N178 PolarHBondContact O-OD1 3.31Å; I176-N178 PolarHBondContact O-N 3.05Å; N178-Q185 PolarHBondContact O-NE2 3.22Å
179	R	95.4	Very high	92	Very high	199 Å²	199	90.1 Å²	90.1	75%	0.751	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-97.1	-8.6	178.4	-55.1	-178.6	-176.7	-178.8	0.6	112.8	T175 I176 I177	T175-R179 WeakPolarHBondContact O-CD 3.42Å; T175-R179 PolarHBondContact O-NE 2.96Å; I176-R179 WeakPolarHBondContact O-CB 3.41Å; I176-R179 PolarHBondContact O-N 3.22Å; I177-R179 PolarHBondContact O-N 3.15Å
180	L	95	Very high	91.5	Very high	68 Å²	68	93.7 Å²	93.7	36%	0.356	48%	0.477	S	S	.	.	S	Bend	trans	-79.1	159.3	176.2	-63	177.4	0	0	0	110.9	I176 I177 M184 Q185	I176-L180 HydrophobicContact CG2-CD1 4.41Å; I176-L180 PolarHBondContact O-N 3.03Å; I177-L180 WeakPolarHBondContact O-CB 3.44Å; I177-L180 PolarHBondContact O-N 3.21Å; L180-M184 HydrophobicContact CB-CB 4Å; L180-M184 HydrophobicContact CD1-CB 4.22Å; L180-Q185 WeakPolarHBondContact O-CG 3.43Å; L180-Q185 PolarHBondContact O-NE2 2.82Å
181	P	96.2	Very high	90.9	Very high	75 Å²	75	93.3 Å²	93.3	49%	0.487	48%	0.475	S	S	.	.			trans	-53.6	148.4	169.9	-26.3	36.2	0	0	0	112.2	N183 M184 Q185	P181-N183 WeakPolarHBondContact CB-OD1 3.46Å; P181-N183 PolarHBondContact O-N 2.88Å; P181-M184 WeakPolarHBondContact O-CA 3.48Å; P181-M184 PolarHBondContact O-N 2.87Å; P181-Q185 WeakPolarHBondContact O-CG 3.35Å
182	A	92.2	Very high	90.2	Very high	88 Å²	88	88.2 Å²	88.2	73%	0.727	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-52.4	-34.9	-171.4	0	0	0	0	0	114.3	M184 Q185	A182-M184 PolarHBondContact O-N 3.37Å; A182-Q185 PolarHBondContact O-N 3Å
183	N	93.4	Very high	90	Very high	128 Å²	128	87.4 Å²	87.4	68%	0.684	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-72.9	-2.1	177.8	66	-57.7	0	0	0	114.5	P181	P181-N183 WeakPolarHBondContact CB-OD1 3.46Å; P181-N183 PolarHBondContact O-N 2.88Å
184	M	92.1	Very high	90	Very high	106 Å²	106	89.2 Å²	89.2	52%	0.522	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-121.7	8.2	178.4	-61.8	-180	177.4	0	0	112.5	L180 P181 A182 S186	L180-M184 HydrophobicContact CB-CB 4Å; L180-M184 HydrophobicContact CD1-CB 4.22Å; P181-M184 WeakPolarHBondContact O-CA 3.48Å; P181-M184 PolarHBondContact O-N 2.87Å; A182-M184 PolarHBondContact O-N 3.37Å; M184-S186 VanDerWaalsContact C-N 3.32Å
185	Q	92.3	Very high	90	Very high	84 Å²	84	91.5 Å²	91.5	39%	0.393	47%	0.467	S	S	.	.			trans	-87.1	1.5	-177.1	-61.6	-166.5	-9.2	0	0	114.3	I177 N178 L180 P181 A182	I177-Q185 VanDerWaalsContact CG2-C 3.44Å; I177-Q185 VanDerWaalsContact CG2-CA 3.44Å; I177-Q185 HydrophobicContact CG2-CB 4.07Å; I177-Q185 WeakPolarHBondContact CG2-O 3.39Å; I177-Q185 WeakPolarHBondContact O-CG 3.49Å; N178-Q185 PolarHBondContact O-NE2 3.22Å; L180-Q185 WeakPolarHBondContact O-CG 3.43Å; L180-Q185 PolarHBondContact O-NE2 2.82Å; P181-Q185 WeakPolarHBondContact O-CG 3.35Å; A182-Q185 PolarHBondContact O-N 3Å
186	S	87.6	Confident	89.9	Confident	88 Å²	88	90 Å²	90	62%	0.615	46%	0.459	S	S	*	.			trans	-99.7	131.6	173.3	62.8	0	0	0	0	110.2	M184	M184-S186 VanDerWaalsContact C-N 3.32Å
187	I	81.9	Confident	89.9	Confident	61 Å²	61	90.5 Å²	90.5	31%	0.313	46%	0.462	S	S	.	.			trans	-116	129.5	167.3	-70.7	-169.4	0	0	0	108.4	I177 L192	I177-I187 HydrophobicContact CD1-CB 4.32Å; I177-I187 HydrophobicContact CD1-CD1 3.13Å; I177-I187 HydrophobicContact CD1-CG1 3.61Å; I177-I187 HydrophobicContact CG1-CD1 3.6Å; I177-I187 HydrophobicContact CG1-CG1 4.13Å; I187-L192 HydrophobicContact CD1-CD2 4.4Å; I187-L192 HydrophobicContact CG2-CD1 3.57Å; I187-L192 HydrophobicContact CG2-CD2 3.89Å; I187-L192 HydrophobicContact CG2-CG 3.43Å; I187-L192 VanDerWaalsContact CG2-CG 3.43Å
188	K	84.4	Confident	89.6	Confident	122 Å²	122	94.3 Å²	94.3	53%	0.53	49%	0.488	S	S	.	.			trans	-86	151.3	172.2	-62.5	177.7	-178.3	175.8	0	110.4	E190 E191	K188-E190 VanDerWaalsContact C-N 3.25Å; K188-E190 PolarHBondContact O-N 3.48Å; K188-E191 HydrophobicContact CB-CG 4.13Å; K188-E191 PolarHBondContact N-OE2 3.03Å; K188-E191 WeakPolarHBondContact O-CB 3.41Å; K188-E191 PolarHBondContact O-N 3.15Å; K188-E191 VanDerWaalsContact O-N 3.11Å
189	D	79.3	Confident	89.3	Confident	67 Å²	67	96.8 Å²	96.8	36%	0.358	50%	0.501	S	S	.	.	H	α-helix	trans	-59.7	-39.4	179.1	-67.4	-5.6	0	0	0	111.4	R169 E191 L192 T193	R169-D189 IonicContact CZ-OD1 2.8Å; R169-D189 IonicContact NH1-OD1 3.17Å; R169-D189 PolarHBondContact NH1-OD1 2.89Å; R169-D189 IonicContact NH2-OD1 3.88Å; R169-D189 PolarHBondContact NH2-OD1 3.37Å; D189-E191 PolarHBondContact O-N 3.11Å; D189-L192 PolarHBondContact O-N 3.25Å; D189-L192 VanDerWaalsContact O-N 3.15Å; D189-T193 PolarHBondContact O-N 3.24Å; D189-T193 PolarHBondContact O-OG1 3.16Å
190	E	81.8	Confident	89.1	Confident	146 Å²	146	90 Å²	90	68%	0.682	48%	0.484	S	S	*	.	H	α-helix	trans	-58.7	-34.3	177.5	-62.4	121.8	-167	0	0	112.7	K188 L192 T193	K188-E190 VanDerWaalsContact C-N 3.25Å; K188-E190 PolarHBondContact O-N 3.48Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.33Å; E190-T193 PolarHBondContact O-N 3.23Å
191	E	80.9	Confident	88.9	Confident	126 Å²	126	97.3 Å²	97.3	59%	0.589	51%	0.508	S	S	*	.	H	α-helix	trans	-74.6	-24.2	-177.9	-64.5	168.1	164.4	0	0	112.4	K188 D189	K188-E191 HydrophobicContact CB-CG 4.13Å; K188-E191 PolarHBondContact N-OE2 3.03Å; K188-E191 WeakPolarHBondContact O-CB 3.41Å; K188-E191 PolarHBondContact O-N 3.15Å; K188-E191 VanDerWaalsContact O-N 3.11Å; D189-E191 PolarHBondContact O-N 3.11Å
192	L	81	Confident	88.7	Confident	35 Å²	35	96.6 Å²	96.6	18%	0.183	50%	0.503	C	S	.	.	H	α-helix	trans	-88.7	-9.4	173.6	-66.1	174.5	0	0	0	112.6	E136 L172 I187 D189 E190 F194	E136-L192 HydrophobicContact CG-CB 4.31Å; L172-L192 HydrophobicContact CD1-CD2 3.7Å; I187-L192 HydrophobicContact CD1-CD2 4.4Å; I187-L192 HydrophobicContact CG2-CD1 3.57Å; I187-L192 HydrophobicContact CG2-CD2 3.89Å; I187-L192 HydrophobicContact CG2-CG 3.43Å; I187-L192 VanDerWaalsContact CG2-CG 3.43Å; D189-L192 PolarHBondContact O-N 3.25Å; D189-L192 VanDerWaalsContact O-N 3.15Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.33Å; L192-F194 PolarHBondContact O-N 2.69Å
193	T	89.9	Confident	88.7	Confident	27 Å²	27	100.9 Å²	100.9	17%	0.166	51%	0.505	C	S	.	.			trans	-84.3	113.8	-169.3	-61	0	0	0	0	110.9	E136 H137 D189 E190 H195	E136-T193 HydrophobicContact CB-CG2 4.22Å; E136-T193 WeakPolarHBondContact CB-OG1 3.28Å; H137-T193 HydrophobicContact CB-CG2 3.64Å; D189-T193 PolarHBondContact O-N 3.24Å; D189-T193 PolarHBondContact O-OG1 3.16Å; E190-T193 PolarHBondContact O-N 3.23Å; T193-H195 WeakPolarHBondContact CG2-CE1 3.25Å; T193-H195 WeakPolarHBondContact CG2-NE2 3.4Å
194	F	93.6	Very high	88.5	Confident	152 Å²	152	99.2 Å²	99.2	67%	0.667	50%	0.503	S	S	*	.			trans	-88.1	134.6	163.3	-65.5	-79.8	0	0	0	109.7	F134 H137 L192	F134-F194 HydrophobicContact CD1-CB 4.06Å; F134-F194 WeakPolarHBondContact CD1-O 3.13Å; F134-F194 HydrophobicContact CE1-CB 4.5Å; H137-F194 WeakPolarHBondContact CB-O 3.42Å; L192-F194 PolarHBondContact O-N 2.69Å
195	H	94.6	Very high	88.4	Confident	123 Å²	123	99.7 Å²	99.7	57%	0.569	50%	0.503	S	S	*	.			trans	-106.5	138.1	178.4	-64.2	-77.9	0	0	0	111.5	H137 T193	H137-H195 AromaticContact CE1-ND1 3.83Å; H137-H195 AromaticContact CG-ND1 3.64Å; H137-H195 AromaticContact ND1-CE1 3.75Å; H137-H195 AromaticContact ND1-ND1 3.16Å; H137-H195 PolarHBondContact ND1-ND1 3.22Å; H137-H195 VanDerWaalsContact ND1-ND1 3.16Å; T193-H195 WeakPolarHBondContact CG2-CE1 3.25Å; T193-H195 WeakPolarHBondContact CG2-NE2 3.4Å
196	P	94.9	Very high	88.3	Confident	15 Å²	15	99 Å²	99	10%	0.097	51%	0.508	C	S	.	.			trans	-65.3	150.3	167.2	30.1	-33.6	0	0	0	109.7	V73 F134 H137 P198	V73-P196 HydrophobicContact CG1-CB 3.92Å; V73-P196 HydrophobicContact CG1-CG 3.9Å; F134-P196 HydrophobicContact CD1-CB 4.47Å; F134-P196 HydrophobicContact CD2-CB 4.17Å; F134-P196 HydrophobicContact CE1-CB 4.2Å; F134-P196 HydrophobicContact CE2-CB 3.88Å; F134-P196 HydrophobicContact CG-CB 4.45Å; F134-P196 HydrophobicContact CZ-CB 3.88Å; H137-P196 WeakPolarHBondContact CD2-CD 3.39Å; H137-P196 WeakPolarHBondContact NE2-CD 3.43Å; H137-P196 WeakPolarHBondContact NE2-CG 3.39Å; P196-P198 WeakPolarHBondContact O-CD 3.43Å
197	N	93	Very high	88.4	Confident	97 Å²	97	99.1 Å²	99.1	52%	0.519	50%	0.501	S	S	.	.			trans	-91.3	103.5	173.2	180	5.5	0	0	0	109.5	P72 N199 S200	P72-N197 WeakPolarHBondContact CB-O 3.36Å; P72-N197 WeakPolarHBondContact CG-O 3.4Å; N197-N199 PolarHBondContact O-N 3.05Å; N197-N199 WeakPolarHBondContact OD1-CA 3.46Å; N197-N199 WeakPolarHBondContact OD1-CB 3.49Å; N197-N199 PolarHBondContact OD1-N 3.26Å; N197-S200 WeakPolarHBondContact O-CB 3.16Å; N197-S200 PolarHBondContact O-N 2.96Å
198	P	88.6	Confident	88.8	Confident	94 Å²	94	102.3 Å²	102.3	61%	0.61	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.7	179.1	29.2	-35.8	0	0	0	112.7	P196 S200	P196-P198 WeakPolarHBondContact O-CD 3.43Å; P198-S200 VanDerWaalsContact C-N 3.26Å; P198-S200 PolarHBondContact O-N 3.3Å
199	N	87.6	Confident	89.2	Confident	132 Å²	132	105 Å²	105	71%	0.706	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	11.4	-180	-59.2	-27.8	0	0	0	112.7	N197	N197-N199 PolarHBondContact O-N 3.05Å; N197-N199 WeakPolarHBondContact OD1-CA 3.46Å; N197-N199 WeakPolarHBondContact OD1-CB 3.49Å; N197-N199 PolarHBondContact OD1-N 3.26Å
200	S	90.5	Very high	89.7	Confident	56 Å²	56	106.3 Å²	106.3	39%	0.392	53%	0.531	S	S	.	.			trans	-65.3	135.3	174.4	-176.3	0	0	0	0	110.6	N197 P198	N197-S200 WeakPolarHBondContact O-CB 3.16Å; N197-S200 PolarHBondContact O-N 2.96Å; P198-S200 VanDerWaalsContact C-N 3.26Å; P198-S200 PolarHBondContact O-N 3.3Å
201	Y	91	Very high	90.2	Very high	221 Å²	221	104.5 Å²	104.5	87%	0.867	53%	0.525	S	S	*	.			trans	-61.3	140.5	173.5	-66.1	-80.9	0	0	0	111.6
202	V	92.8	Very high	90.5	Very high	60 Å²	60	108.7 Å²	108.7	36%	0.364	54%	0.537	S	S	.	.			trans	-138.7	147.7	179.7	-64.2	0	0	0	0	110.3	I2 L70	I2-V202 HydrophobicContact CD1-CB 3.81Å; I2-V202 HydrophobicContact CD1-CG1 3.77Å; I2-V202 HydrophobicContact CD1-CG2 3.84Å; I2-V202 HydrophobicContact CG1-CB 4.48Å; L70-V202 WeakPolarHBondContact O-CG1 3.33Å
203	F	91.3	Very high	90.9	Very high	178 Å²	178	113 Å²	113	78%	0.781	56%	0.559	S	S	*	*			trans	-80.4	123.7	166.6	-66.5	-80.5	0	0	0	109.4	M1 I2	M1-F203 CarbonylContact C-O 3.57Å; M1-F203 VanDerWaalsContact CA-O 3.24Å; M1-F203 WeakPolarHBondContact CA-O 3.17Å; M1-F203 PolarHBondContact N-O 3.45Å; I2-F203 PolarHBondContact N-O 3.42Å
204	C	89.8	Confident	90.7	Very high	94 Å²	94	118.9 Å²	118.9	64%	0.635	59%	0.585	S	S	*	*	B	Isolated β-bridge	trans	-124.6	159.7	174.7	66.3	0	0	0	0	111.1
205	Q	90.1	Very high	90.4	Very high	115 Å²	115	117.6 Å²	117.6	54%	0.537	59%	0.59	S	S	.	*			trans	-140.7	130	167.5	173.8	180	-1.7	0	0	107.2	M1	M1-Q205 HydrophobicContact CE-CB 3.55Å; M1-Q205 HydrophobicContact CE-CG 3.48Å; M1-Q205 VanDerWaalsContact CE-CG 3.48Å; M1-Q205 HydrophobicContact CG-CB 3.74Å; M1-Q205 HydrophobicContact SD-CB 3.83Å; M1-Q205 HydrophobicContact SD-CG 4.34Å; M1-Q205 PolarHBondContact SD-OE1 3.4Å
206	S	89.9	Confident	89.7	Confident	69 Å²	69	118.4 Å²	118.4	48%	0.483	59%	0.592	S	S	.	*			trans	-75.3	134	-178.8	-159.6	0	0	0	0	111	K208 I210	S206-K208 PolarHBondContact OG-O 2.59Å; S206-I210 WeakPolarHBondContact OG-CD1 3.42Å
207	L	88.7	Confident	89	Confident	92 Å²	92	123.1 Å²	123.1	48%	0.482	62%	0.616	S	S	.	*	S	Bend	trans	-96.9	-15.8	172.5	-74.3	179	0	0	0	113.4	M1 Y3 K63	M1-L207 HydrophobicContact CE-CD2 4.32Å; Y3-L207 HydrophobicContact CD1-CD1 3.14Å; Y3-L207 HydrophobicContact CD1-CD2 4.11Å; Y3-L207 HydrophobicContact CD1-CG 3.33Å; Y3-L207 HydrophobicContact CE1-CD1 3.32Å; Y3-L207 HydrophobicContact CE1-CD2 3.57Å; Y3-L207 HydrophobicContact CE1-CG 3.34Å; Y3-L207 HydrophobicContact CG-CD1 3.98Å; K63-L207 HydrophobicContact CD-CD1 4.48Å
208	K	90.6	Very high	87.8	Confident	128 Å²	128	125.7 Å²	125.7	56%	0.557	63%	0.625	S	S	*	*	S	Bend	trans	-133.9	159.6	-177.2	-72.5	-179.3	164.8	176.2	0	108.3	Y5 S206 I210	Y5-K208 HydrophobicContact CE2-CD 4.4Å; Y5-K208 WeakPolarHBondContact OH-CE 3.43Å; Y5-K208 PolarHBondContact OH-NZ 2.86Å; Y5-K208 VanDerWaalsContact OH-NZ 3.1Å; S206-K208 PolarHBondContact OG-O 2.59Å; K208-I210 PolarHBondContact O-N 3.39Å
209	K	92.5	Very high	86.7	Confident	179 Å²	179	125.6 Å²	125.6	78%	0.778	63%	0.626	S	S	*	*			trans	-61.9	133.8	171.5	-168	-177.2	-179.3	-125.8	0	108.8	D211	K209-D211 WeakPolarHBondContact CE-OD1 3.44Å; K209-D211 IonicContact NZ-OD1 2.72Å; K209-D211 PolarHBondContact NZ-OD1 2.72Å
210	I	90.6	Very high	85.1	Confident	94 Å²	94	123.5 Å²	123.5	48%	0.482	62%	0.622	S	S	.	*			trans	-116.5	119.7	170.8	-58.8	173	0	0	0	105.1	S206 K208 Y212 I213	S206-I210 WeakPolarHBondContact OG-CD1 3.42Å; K208-I210 PolarHBondContact O-N 3.39Å; I210-Y212 WeakPolarHBondContact CG2-O 3.37Å; I210-I213 HydrophobicContact CB-CG1 4.49Å; I210-I213 HydrophobicContact CG2-CD1 4.2Å; I210-I213 HydrophobicContact CG2-CG1 3.66Å
211	D	91.4	Very high	83.4	Confident	107 Å²	107	128.2 Å²	128.2	57%	0.572	64%	0.643	S	S	*	*	S	Bend	trans	-75.3	-37.7	-172.9	-67.2	-46.7	0	0	0	112.4	K209	K209-D211 WeakPolarHBondContact CE-OD1 3.44Å; K209-D211 IonicContact NZ-OD1 2.72Å; K209-D211 PolarHBondContact NZ-OD1 2.72Å
212	Y	89.1	Confident	81.3	Confident	214 Å²	214	121 Å²	121	84%	0.839	64%	0.635	S	S	*	*			trans	-140.6	138.3	-178.3	-56.8	-78.7	0	0	0	110.7	I210	I210-Y212 WeakPolarHBondContact CG2-O 3.37Å
213	I	87.6	Confident	78.9	Confident	126 Å²	126	123.8 Å²	123.8	65%	0.646	65%	0.652	S	S	*	*			trans	-129.4	125.7	173.3	-60.6	175.9	0	0	0	107	I210 V215	I210-I213 HydrophobicContact CB-CG1 4.49Å; I210-I213 HydrophobicContact CG2-CD1 4.2Å; I210-I213 HydrophobicContact CG2-CG1 3.66Å; I213-V215 HydrophobicContact CG2-CG2 4.25Å
214	E	86.6	Confident	76.5	Confident	150 Å²	150	124.5 Å²	124.5	70%	0.701	66%	0.658	S	S	*	*			trans	-79.2	123.7	173.3	-165.7	169	-158.3	0	0	109.2	F216	E214-F216 HydrophobicContact CB-CE2 4.36Å; E214-F216 HydrophobicContact CG-CD2 4.29Å; E214-F216 HydrophobicContact CG-CE1 4.01Å; E214-F216 HydrophobicContact CG-CE2 3.69Å; E214-F216 HydrophobicContact CG-CZ 3.56Å; E214-F216 WeakPolarHBondContact OE1-CE1 3.33Å; E214-F216 WeakPolarHBondContact OE1-CZ 3.1Å; E214-F216 WeakPolarHBondContact OE2-CZ 3.23Å
215	V	86.9	Confident	74.2	Confident	126 Å²	126	125.8 Å²	125.8	76%	0.764	66%	0.664	S	S	*	*			trans	-117.6	107.8	178.5	-178.3	0	0	0	0	107.1	I213	I213-V215 HydrophobicContact CG2-CG2 4.25Å
216	F	80.2	Confident	72	Confident	140 Å²	140	131.6 Å²	131.6	61%	0.614	70%	0.698	S	S	*	*			trans	-84.8	125	174.6	-62.1	-77.7	0	0	0	109.7	E214	E214-F216 HydrophobicContact CB-CE2 4.36Å; E214-F216 HydrophobicContact CG-CD2 4.29Å; E214-F216 HydrophobicContact CG-CE1 4.01Å; E214-F216 HydrophobicContact CG-CE2 3.69Å; E214-F216 HydrophobicContact CG-CZ 3.56Å; E214-F216 WeakPolarHBondContact OE1-CE1 3.33Å; E214-F216 WeakPolarHBondContact OE1-CZ 3.1Å; E214-F216 WeakPolarHBondContact OE2-CZ 3.23Å
217	D	79.5	Confident	71.1	Confident	113 Å²	113	134.7 Å²	134.7	60%	0.604	71%	0.709	S	S	*	*			trans	-99.5	114.8	167.2	-167.2	-11.4	0	0	0	108.5	S219	D217-S219 PolarHBondContact O-N 2.64Å; D217-S219 VanDerWaalsContact OD1-CB 3.23Å; D217-S219 WeakPolarHBondContact OD1-CB 3.32Å; D217-S219 PolarHBondContact OD1-N 3.01Å; D217-S219 PolarHBondContact OD1-OG 2.98Å; D217-S219 PolarHBondContact OD2-OG 3.43Å
218	H	67.8	Low	70.2	Confident	152 Å²	152	136.9 Å²	136.9	70%	0.704	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-82.4	4.6	177.8	-70.9	-57.1	0	0	0	113	S220	H218-S220 VanDerWaalsContact C-N 3.32Å; H218-S220 PolarHBondContact O-N 3.42Å
219	S	65.4	Low	69.1	Low	92 Å²	92	137.4 Å²	137.4	64%	0.643	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-78.5	-7.3	-176	63.2	0	0	0	0	115.2	D217	D217-S219 PolarHBondContact O-N 2.64Å; D217-S219 VanDerWaalsContact OD1-CB 3.23Å; D217-S219 WeakPolarHBondContact OD1-CB 3.32Å; D217-S219 PolarHBondContact OD1-N 3.01Å; D217-S219 PolarHBondContact OD1-OG 2.98Å; D217-S219 PolarHBondContact OD2-OG 3.43Å
220	S	55.3	Low	67.7	Low	88 Å²	88	135 Å²	135	62%	0.615	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-99.9	-6.9	-173.7	41.1	0	0	0	0	116.7	H218 G222	H218-S220 VanDerWaalsContact C-N 3.32Å; H218-S220 PolarHBondContact O-N 3.42Å; S220-G222 PolarHBondContact O-N 3.19Å
221	D	53.5	Low	66.3	Low	155 Å²	155	137.6 Å²	137.6	83%	0.829	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	16.8	-178.9	-81.8	-20	0	0	0	114.7
222	G	47.7	Very low	64.6	Low	69 Å²	69	139.6 Å²	139.6	71%	0.711	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	2	-172.9	0	0	0	0	0	117.6	S220	S220-G222 PolarHBondContact O-N 3.19Å
223	T	43.1	Very low	62.8	Low	118 Å²	118	134.3 Å²	134.3	72%	0.724	75%	0.748	S	S	*	*			trans	-127.2	61.8	-177.8	-17.4	0	0	0	0	112.5	T225	T223-T225 HydrophobicContact CG2-CG2 4.24Å
224	Q	40.7	Very low	60.9	Low	193 Å²	193	134.9 Å²	134.9	90%	0.902	76%	0.756	S	S	*	*			trans	-86.9	96.9	148.1	-73.4	-171.2	42.2	0	0	107.1	N226	Q224-N226 PolarHBondContact O-N 3.39Å
225	T	41.1	Very low	58.8	Low	122 Å²	122	133.7 Å²	133.7	75%	0.748	76%	0.76	S	S	*	*			trans	-57.9	122.4	167.2	46.8	0	0	0	0	109.3	T223	T223-T225 HydrophobicContact CG2-CG2 4.24Å
226	N	44.4	Very low	56.3	Low	236 Å²	236	134.4 Å²	134.4	100%	1.262	76%	0.76	S	S	*	*			trans	-64.6	0	154.6	-74	-53.1	0	0	0	110.6	Q224	Q224-N226 PolarHBondContact O-N 3.39Å

Retrieved 226 of 226 residues in 169 ms (Link to these results)

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