A0A060WNL8_ONCMY Loading...

Calpain small subunit 1-like

AlphaFold DB , UniProt , Accession A0A060WNL8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene capn4, Length 216 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	37.2	Very low	224 Å²	224	160.7 Å²	160.7	100%	1.103	86%	0.857	S	S	*	*				0	131.5	0	-152.2	179.1	-114.1	0	0	107.2
2	F	35.1	Very low	37.2	Very low	194 Å²	194	159.8 Å²	159.8	85%	0.851	85%	0.851	S	S	*	*			trans	85.5	73	179.5	-58.3	-78.9	0	0	0	118.5
3	L	37.5	Very low	37.1	Very low	181 Å²	181	158.7 Å²	158.7	95%	0.948	85%	0.845	S	S	*	*			trans	-119.6	95.6	151.2	-98.5	161.3	0	0	0	107.2
4	A	37.3	Very low	37.3	Very low	99 Å²	99	154.2 Å²	154.2	82%	0.818	83%	0.827	S	S	*	*			trans	-178.5	76	161.4	0	0	0	0	0	110.4
5	K	40.2	Very low	37.8	Very low	208 Å²	208	151.7 Å²	151.7	90%	0.904	82%	0.819	S	S	*	*			trans	-135.6	70.4	162.2	-97.1	-170.8	174	-177.4	0	107.6
6	R	41.3	Very low	38.7	Very low	242 Å²	242	144.4 Å²	144.4	91%	0.913	78%	0.783	S	S	*	*	S	Bend	trans	-164.1	19.5	172.3	-125	177.4	-178.9	-170.5	-1.1	120.1
7	L	39.6	Very low	40	Very low	169 Å²	169	145.6 Å²	145.6	89%	0.885	79%	0.789	S	S	*	*	S	Bend	trans	-125.6	-1.5	-174.8	-91.7	143.4	0	0	0	117.3
8	I	42.3	Very low	41.4	Very low	159 Å²	159	141 Å²	141	82%	0.815	76%	0.763	S	S	*	*	S	Bend	trans	-111.2	-12.2	-177.4	-49.4	-178.6	0	0	0	112.9	G10	I8-G10 PolarHBondContact O-N 3.43Å
9	G	29.5	Very low	43	Very low	65 Å²	65	137.9 Å²	137.9	67%	0.67	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-5.9	-177.5	0	0	0	0	0	116.1
10	G	30.5	Very low	44.3	Very low	69 Å²	69	132.3 Å²	132.3	71%	0.711	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-4.8	-166.2	0	0	0	0	0	117	I8	I8-G10 PolarHBondContact O-N 3.43Å
11	I	41.1	Very low	45.5	Very low	158 Å²	158	127.9 Å²	127.9	81%	0.81	70%	0.702	S	S	*	*	S	Bend	trans	-104.3	-12.7	-173.2	-59.6	178.5	0	0	0	112.4
12	L	37.5	Very low	47.6	Very low	150 Å²	150	122.5 Å²	122.5	79%	0.785	67%	0.674	S	S	*	*	S	Bend	trans	-102.7	-4.3	-174.2	-79.9	158.4	0	0	0	115
13	D	36	Very low	49.9	Very low	145 Å²	145	114.2 Å²	114.2	78%	0.775	64%	0.638	S	S	*	*			trans	-93.4	14.4	-175.2	-100.7	-15	0	0	0	114.6
14	V	39.6	Very low	52.1	Low	96 Å²	96	110.2 Å²	110.2	58%	0.582	62%	0.621	S	S	*	*			trans	-104.7	70.4	168	-166.4	0	0	0	0	108.3	S16	V14-S16 PolarHBondContact O-N 3.49Å
15	V	44.8	Very low	54.2	Low	117 Å²	117	106.3 Å²	106.3	71%	0.709	59%	0.587	S	S	*	*			trans	-66.9	88.2	160.8	-174.5	0	0	0	0	105.6	N17	V15-N17 PolarHBondContact O-N 3.17Å
16	S	52.8	Low	55.9	Low	35 Å²	35	97.3 Å²	97.3	25%	0.245	55%	0.55	C	S	.	*			trans	-59.2	127.5	158.6	47	0	0	0	0	106.3	V14 I18 N154 Q156	V14-S16 PolarHBondContact O-N 3.49Å; S16-I18 PolarHBondContact O-N 2.76Å; S16-N154 WeakPolarHBondContact CB-ND2 3.49Å; S16-N154 PolarHBondContact OG-ND2 2.91Å; S16-Q156 PolarHBondContact OG-OE1 3.32Å
17	N	59.4	Low	57.7	Low	165 Å²	165	92.4 Å²	92.4	88%	0.882	54%	0.542	S	S	*	.			trans	-64.5	74.7	177.5	-71.1	-27.8	0	0	0	109.2	V15	V15-N17 PolarHBondContact O-N 3.17Å
18	I	65.4	Low	59.2	Low	62 Å²	62	88.7 Å²	88.7	32%	0.318	53%	0.528	S	S	.	.			trans	-82.5	121.2	166.5	-60.8	162.9	0	0	0	104.7	S16 P20 F23 N154 L157	S16-I18 PolarHBondContact O-N 2.76Å; I18-P20 VanDerWaalsContact O-CD 3.3Å; I18-P20 WeakPolarHBondContact O-CD 3.01Å; I18-F23 HydrophobicContact CG2-CE1 4.49Å; I18-F23 HydrophobicContact CG2-CE2 4.03Å; I18-F23 HydrophobicContact CG2-CZ 3.68Å; I18-N154 WeakPolarHBondContact CD1-ND2 3.47Å; I18-N154 WeakPolarHBondContact CG1-ND2 3.48Å; I18-L157 HydrophobicContact CD1-CD1 3.5Å; I18-L157 VanDerWaalsContact CD1-CD1 3.5Å; I18-L157 HydrophobicContact CD1-CG 4.09Å; I18-L157 HydrophobicContact CG1-CD1 4.42Å
19	D	72.6	Confident	60.5	Low	82 Å²	82	82.4 Å²	82.4	44%	0.439	50%	0.498	S	S	.	.			trans	-93.1	104.7	169.4	174.6	3.1	0	0	0	107.6	G21 Q22	D19-G21 PolarHBondContact O-N 2.91Å; D19-G21 VanDerWaalsContact O-N 3.1Å; D19-G21 WeakPolarHBondContact OD1-CA 3.4Å; D19-G21 PolarHBondContact OD1-N 2.96Å; D19-Q22 HydrophobicContact CB-CG 3.94Å; D19-Q22 WeakPolarHBondContact O-CB 3.36Å; D19-Q22 PolarHBondContact O-N 2.88Å
20	P	68.9	Low	62.4	Low	26 Å²	26	82.4 Å²	82.4	17%	0.169	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-59.7	-20.6	179.2	-22.2	35.8	0	0	0	112.9	I18 Q22 F23 F191	I18-P20 VanDerWaalsContact O-CD 3.3Å; I18-P20 WeakPolarHBondContact O-CD 3.01Å; P20-Q22 PolarHBondContact O-N 2.82Å; P20-F23 PolarHBondContact O-N 2.93Å; P20-F191 HydrophobicContact CB-CD1 4.27Å; P20-F191 HydrophobicContact CB-CE1 4Å; P20-F191 HydrophobicContact CG-CE1 3.96Å; P20-F191 HydrophobicContact CG-CZ 4.43Å
21	G	70.1	Confident	64.2	Low	40 Å²	40	84.4 Å²	84.4	41%	0.412	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-63.9	-23.6	174.1	0	0	0	0	0	113.4	D19 F23	D19-G21 PolarHBondContact O-N 2.91Å; D19-G21 VanDerWaalsContact O-N 3.1Å; D19-G21 WeakPolarHBondContact OD1-CA 3.4Å; D19-G21 PolarHBondContact OD1-N 2.96Å; G21-F23 VanDerWaalsContact C-N 3.33Å
22	Q	78.6	Confident	65.4	Low	111 Å²	111	81.4 Å²	81.4	52%	0.519	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-76.9	-19.1	177.1	-63.3	-176.9	0.3	0	0	113.5	D19 P20 P152	D19-Q22 HydrophobicContact CB-CG 3.94Å; D19-Q22 WeakPolarHBondContact O-CB 3.36Å; D19-Q22 PolarHBondContact O-N 2.88Å; P20-Q22 PolarHBondContact O-N 2.82Å; Q22-P152 HydrophobicContact CB-CG 3.85Å
23	F	83.1	Confident	66.8	Low	20 Å²	20	81.1 Å²	81.1	9%	0.088	45%	0.453	C	S	.	.			trans	-74.8	135.5	176	-61.8	-22.9	0	0	0	109.9	I18 P20 G21 P25 P152 L153 C188 K192	I18-F23 HydrophobicContact CG2-CE1 4.49Å; I18-F23 HydrophobicContact CG2-CE2 4.03Å; I18-F23 HydrophobicContact CG2-CZ 3.68Å; P20-F23 PolarHBondContact O-N 2.93Å; G21-F23 VanDerWaalsContact C-N 3.33Å; F23-P25 WeakPolarHBondContact O-CD 3.23Å; F23-P152 HydrophobicContact CD1-CG 4.19Å; F23-P152 HydrophobicContact CE1-CG 4.46Å; F23-P152 WeakPolarHBondContact CE1-O 3.32Å; F23-L153 HydrophobicContact CE1-CD2 3.95Å; F23-L153 HydrophobicContact CZ-CD2 3.83Å; F23-C188 WeakPolarHBondContact CD2-SG 2.82Å; F23-K192 WeakPolarHBondContact O-CE 3.3Å; F23-K192 PolarHBondContact O-NZ 3.22Å
24	V	83.1	Confident	68.3	Low	96 Å²	96	79.1 Å²	79.1	58%	0.582	45%	0.448	S	S	*	.			trans	-115.7	74.3	175.6	-170.4	0	0	0	0	107.8	G150	V24-G150 PolarHBondContact N-O 2.99Å
25	P	81.2	Confident	69.6	Low	17 Å²	17	78.8 Å²	78.8	11%	0.11	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-64	157.3	172.9	28.8	-32.5	0	0	0	109.9	F23 D185 C188 R189 K192	F23-P25 WeakPolarHBondContact O-CD 3.23Å; P25-D185 WeakPolarHBondContact CA-OD1 3.41Å; P25-C188 HydrophobicContact CB-CB 3.98Å; P25-C188 HydrophobicContact CG-CB 4.22Å; P25-R189 HydrophobicContact CB-CG 3.69Å; P25-R189 HydrophobicContact CG-CG 4.3Å; P25-K192 HydrophobicContact CG-CD 3.78Å
26	S	77.1	Confident	70.4	Confident	20 Å²	20	76.4 Å²	76.4	14%	0.14	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-66.9	148.9	176.1	-69.4	0	0	0	0	111	F114 N118 D185 R189	S26-F114 VanDerWaalsContact CB-CZ 3.46Å; S26-N118 WeakPolarHBondContact CB-OD1 3.34Å; S26-N118 PolarHBondContact OG-OD1 2.72Å; S26-D185 PolarHBondContact N-OD1 3Å; S26-R189 WeakPolarHBondContact O-CD 3.41Å
27	D	78.5	Confident	70.9	Confident	139 Å²	139	81.1 Å²	81.1	74%	0.743	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-64	136.8	178.5	-67.4	-43.3	0	0	0	111	F114	D27-F114 WeakPolarHBondContact O-CE2 3.46Å; D27-F114 WeakPolarHBondContact O-CZ 3.46Å
28	P	70.3	Confident	71.2	Confident	91 Å²	91	74 Å²	74	59%	0.591	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-58.8	147.7	-178.4	25.4	-34.1	0	0	0	111.8
29	P	70.4	Confident	71.3	Confident	27 Å²	27	75.5 Å²	75.5	18%	0.175	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-58.9	145.5	176	24.3	-32.3	0	0	0	110.6	H110 E111 F114	P29-H110 HydrophobicContact CB-CB 4.48Å; P29-E111 HydrophobicContact CG-CG 4.43Å; P29-F114 HydrophobicContact CB-CB 4.03Å; P29-F114 HydrophobicContact CB-CG 4.32Å; P29-F114 HydrophobicContact CG-CB 4.47Å; P29-F114 HydrophobicContact CG-CG 4.43Å
30	P	69.8	Low	70.9	Confident	65 Å²	65	79 Å²	79	42%	0.422	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-63	152.6	174.5	28.2	-34.5	0	0	0	110.4
31	P	68.3	Low	70.8	Confident	110 Å²	110	83 Å²	83	71%	0.714	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-55.2	145.8	175.5	-21.2	30.5	0	0	0	111.5	R33	P31-R33 PolarHBondContact O-N 3.38Å
32	R	66.3	Low	71	Confident	95 Å²	95	82.3 Å²	82.3	36%	0.358	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-54.7	122.3	176.3	-71.1	-176.2	-178.6	-174.1	0.8	110.1	E62 D102 E111	R32-E62 IonicContact CZ-OE1 2.77Å; R32-E62 IonicContact NH1-OE1 3.51Å; R32-E62 PolarHBondContact NH1-OE1 3.16Å; R32-E62 IonicContact NH2-OE1 3.4Å; R32-E62 PolarHBondContact NH2-OE1 3.19Å; R32-D102 WeakPolarHBondContact CD-OD2 3.41Å; R32-D102 IonicContact CZ-OD1 3.95Å; R32-D102 IonicContact CZ-OD2 2.84Å; R32-D102 IonicContact NE-OD1 3.07Å; R32-D102 IonicContact NE-OD2 2.58Å; R32-D102 PolarHBondContact NE-OD2 3.43Å; R32-D102 IonicContact NH1-OD1 2.67Å; R32-D102 IonicContact NH1-OD2 3.4Å; R32-D102 PolarHBondContact NH1-OD2 2.96Å; R32-D102 IonicContact NH2-OD1 2.6Å; R32-D102 PolarHBondContact NH2-OD1 2.99Å; R32-D102 IonicContact NH2-OD2 3.69Å; R32-D102 PolarHBondContact NH2-OD2 3.24Å; R32-E111 IonicContact CZ-OE2 2.77Å; R32-E111 IonicContact NE-OE2 2.95Å; R32-E111 IonicContact NH2-OE2 2.94Å; R32-E111 PolarHBondContact NH2-OE2 3.17Å
33	R	66.6	Low	71.2	Confident	144 Å²	144	81 Å²	81	54%	0.543	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-102.2	154.3	175.2	-66.2	-177.6	-176.8	171.7	0.1	110.5	P31 L35	P31-R33 PolarHBondContact O-N 3.38Å; R33-L35 PolarHBondContact O-N 3.12Å
34	P	68.2	Low	71.1	Confident	103 Å²	103	85.9 Å²	85.9	67%	0.669	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-55.6	132.9	171.5	-23.1	33.2	0	0	0	111.3	A36 Y37 A38	P34-A36 VanDerWaalsContact C-N 3.26Å; P34-A36 PolarHBondContact O-N 2.92Å; P34-A36 VanDerWaalsContact O-N 3.17Å; P34-Y37 PolarHBondContact O-N 2.97Å; P34-A38 PolarHBondContact O-N 2.77Å
35	L	65.1	Low	70.9	Confident	90 Å²	90	88.7 Å²	88.7	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-51.5	-42.7	-174.4	-71.6	167.1	0	0	0	113	R33 Y37 A38 E39	R33-L35 PolarHBondContact O-N 3.12Å; L35-Y37 VanDerWaalsContact C-N 3.25Å; L35-Y37 PolarHBondContact O-N 2.95Å; L35-A38 PolarHBondContact O-N 3.04Å; L35-A38 VanDerWaalsContact O-N 3.11Å; L35-E39 WeakPolarHBondContact O-CG 3.49Å; L35-E39 PolarHBondContact O-N 2.57Å
36	A	62.4	Low	70.9	Confident	67 Å²	67	90.1 Å²	90.1	55%	0.554	47%	0.473	S	S	*	.	H	α-helix	trans	-60.1	-31.6	-179.4	0	0	0	0	0	113.9	P34 Q40	P34-A36 VanDerWaalsContact C-N 3.26Å; P34-A36 PolarHBondContact O-N 2.92Å; P34-A36 VanDerWaalsContact O-N 3.17Å; A36-Q40 WeakPolarHBondContact O-CG 3.37Å
37	Y	62.5	Low	71.2	Confident	134 Å²	134	95.4 Å²	95.4	53%	0.525	49%	0.49	S	S	.	.	H	α-helix	trans	-80.6	-33.8	177.6	-174.4	-90.3	0	0	0	112	P34 L35 N41	P34-Y37 PolarHBondContact O-N 2.97Å; L35-Y37 VanDerWaalsContact C-N 3.25Å; L35-Y37 PolarHBondContact O-N 2.95Å; Y37-N41 PolarHBondContact O-ND2 3.3Å
38	A	66.4	Low	71.5	Confident	14 Å²	14	95.3 Å²	95.3	12%	0.116	49%	0.486	C	S	.	.	H	α-helix	trans	-65.6	-50.5	176.4	0	0	0	0	0	110.5	P34 L35 Q40 N41 E42	P34-A38 PolarHBondContact O-N 2.77Å; L35-A38 PolarHBondContact O-N 3.04Å; L35-A38 VanDerWaalsContact O-N 3.11Å; A38-Q40 VanDerWaalsContact C-N 3.27Å; A38-Q40 PolarHBondContact O-N 3.05Å; A38-N41 PolarHBondContact O-N 2.72Å; A38-E42 WeakPolarHBondContact O-CG 3.29Å
39	E	66.9	Low	72.3	Confident	94 Å²	94	92.1 Å²	92.1	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-28.8	-175.9	-69.5	179.7	158.3	0	0	114.3	L35 N41	L35-E39 WeakPolarHBondContact O-CG 3.49Å; L35-E39 PolarHBondContact O-N 2.57Å; E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.26Å
40	Q	64.1	Low	73.1	Confident	157 Å²	157	91.3 Å²	91.3	73%	0.734	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-19.4	-179.3	-75.2	179.5	-1.9	0	0	114.1	A36 A38	A36-Q40 WeakPolarHBondContact O-CG 3.37Å; A38-Q40 VanDerWaalsContact C-N 3.27Å; A38-Q40 PolarHBondContact O-N 3.05Å
41	N	67.8	Low	73.9	Confident	109 Å²	109	94.1 Å²	94.1	58%	0.583	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	13.1	-174.2	-64.9	-68.3	0	0	0	113.4	Y37 A38 E39	Y37-N41 PolarHBondContact O-ND2 3.3Å; A38-N41 PolarHBondContact O-N 2.72Å; E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.26Å
42	E	74.1	Confident	74.7	Confident	26 Å²	26	92 Å²	92	12%	0.121	45%	0.446	C	S	.	.			trans	-80.7	138.4	-175.1	-87.8	178.7	175.7	0	0	114.1	A38 E46 R50	A38-E42 WeakPolarHBondContact O-CG 3.29Å; E42-E46 WeakPolarHBondContact CA-OE2 3.49Å; E42-E46 HydrophobicContact CB-CB 4.05Å; E42-E46 HydrophobicContact CG-CB 3.76Å; E42-R50 IonicContact OE1-CZ 3.7Å; E42-R50 IonicContact OE1-NE 3.4Å; E42-R50 PolarHBondContact OE1-NE 2.93Å; E42-R50 IonicContact OE1-NH2 3.53Å; E42-R50 PolarHBondContact OE1-NH2 3.36Å; E42-R50 WeakPolarHBondContact OE2-CD 3.27Å; E42-R50 IonicContact OE2-CZ 2.56Å; E42-R50 IonicContact OE2-NE 2.78Å; E42-R50 PolarHBondContact OE2-NE 2.94Å
43	N	82.6	Confident	75.9	Confident	84 Å²	84	87.6 Å²	87.6	45%	0.449	43%	0.43	S	S	.	.			trans	-77.6	170.4	167.8	70.5	25.1	0	0	0	111.7	E45 E46 R47	N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 3.02Å; N43-E45 PolarHBondContact OD1-N 2.87Å; N43-E46 PolarHBondContact N-OE2 2.98Å; N43-E46 PolarHBondContact O-N 3.16Å; N43-E46 WeakPolarHBondContact OD1-CB 3.26Å; N43-E46 VanDerWaalsContact OD1-CG 3.26Å; N43-E46 WeakPolarHBondContact OD1-CG 3.46Å; N43-E46 PolarHBondContact OD1-N 3.19Å; N43-R47 PolarHBondContact O-N 3.35Å
44	D	82.1	Confident	76.9	Confident	122 Å²	122	84.3 Å²	84.3	65%	0.652	42%	0.42	S	S	*	.	H	α-helix	trans	-63.7	-35.2	-175.3	-72.2	-30.3	0	0	0	113.3	R47 Q48	D44-R47 PolarHBondContact O-N 2.8Å; D44-Q48 WeakPolarHBondContact O-CG 3.37Å; D44-Q48 PolarHBondContact O-N 2.9Å
45	E	79.1	Confident	77.8	Confident	154 Å²	154	87.4 Å²	87.4	72%	0.72	43%	0.426	S	S	*	.	H	α-helix	trans	-66.1	-43.2	176.3	-68	-173.3	174.9	0	0	111.8	N43 R47 Q48 F49	N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 3.02Å; N43-E45 PolarHBondContact OD1-N 2.87Å; E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 PolarHBondContact O-N 3.48Å; E45-Q48 PolarHBondContact O-N 3.49Å; E45-F49 WeakPolarHBondContact O-CB 3.18Å; E45-F49 PolarHBondContact O-N 2.82Å
46	E	80.1	Confident	79	Confident	47 Å²	47	84.4 Å²	84.4	22%	0.22	41%	0.41	C	S	.	.	H	α-helix	trans	-62.8	-41	175.3	-77.1	179.8	145.5	0	0	111.3	E42 N43 Q48 F49 R50 K113	E42-E46 WeakPolarHBondContact CA-OE2 3.49Å; E42-E46 HydrophobicContact CB-CB 4.05Å; E42-E46 HydrophobicContact CG-CB 3.76Å; N43-E46 PolarHBondContact N-OE2 2.98Å; N43-E46 PolarHBondContact O-N 3.16Å; N43-E46 WeakPolarHBondContact OD1-CB 3.26Å; N43-E46 VanDerWaalsContact OD1-CG 3.26Å; N43-E46 WeakPolarHBondContact OD1-CG 3.46Å; N43-E46 PolarHBondContact OD1-N 3.19Å; E46-Q48 VanDerWaalsContact C-N 3.34Å; E46-Q48 PolarHBondContact O-N 2.93Å; E46-F49 PolarHBondContact O-N 3.25Å; E46-R50 VanDerWaalsContact O-CB 3.28Å; E46-R50 WeakPolarHBondContact O-CB 3.27Å; E46-R50 PolarHBondContact O-N 2.82Å; E46-K113 IonicContact OE1-NZ 2.84Å; E46-K113 PolarHBondContact OE1-NZ 3.2Å
47	R	84.3	Confident	80.2	Confident	131 Å²	131	81.3 Å²	81.3	49%	0.494	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-40.5	176.9	-165	-176.6	-61.8	-132.2	-2.5	111.9	N43 D44 E45 K51	N43-R47 PolarHBondContact O-N 3.35Å; D44-R47 PolarHBondContact O-N 2.8Å; E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 PolarHBondContact O-N 3.48Å; R47-K51 WeakPolarHBondContact O-CG 3.42Å; R47-K51 PolarHBondContact O-N 2.94Å
48	Q	84.4	Confident	81.4	Confident	138 Å²	138	76.7 Å²	76.7	65%	0.645	38%	0.378	S	S	*	.	H	α-helix	trans	-66.8	-44	174.1	-72.3	-176.6	6.2	0	0	111.4	D44 E45 E46 R50 K51 V52	D44-Q48 WeakPolarHBondContact O-CG 3.37Å; D44-Q48 PolarHBondContact O-N 2.9Å; E45-Q48 PolarHBondContact O-N 3.49Å; E46-Q48 VanDerWaalsContact C-N 3.34Å; E46-Q48 PolarHBondContact O-N 2.93Å; Q48-R50 VanDerWaalsContact C-N 3.33Å; Q48-R50 PolarHBondContact O-N 2.95Å; Q48-K51 WeakPolarHBondContact O-CB 3.49Å; Q48-K51 PolarHBondContact O-N 3.4Å; Q48-V52 PolarHBondContact O-N 3.09Å
49	F	86.5	Confident	82.3	Confident	24 Å²	24	84.3 Å²	84.3	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-63.4	-39.1	177.9	-172.4	-102	0	0	0	112.2	E45 E46 K51 V52 F53 F109 F112 K113 W116	E45-F49 WeakPolarHBondContact O-CB 3.18Å; E45-F49 PolarHBondContact O-N 2.82Å; E46-F49 PolarHBondContact O-N 3.25Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 3.17Å; F49-V52 WeakPolarHBondContact O-CB 3.26Å; F49-V52 PolarHBondContact O-N 3.2Å; F49-V52 VanDerWaalsContact O-N 3.11Å; F49-F53 PolarHBondContact O-N 3.45Å; F49-F109 HydrophobicContact CD1-CD2 4.48Å; F49-F109 AromaticContact CD1-CE2 3.58Å; F49-F109 HydrophobicContact CD1-CE2 3.58Å; F49-F109 AromaticContact CD1-CZ 3.96Å; F49-F109 HydrophobicContact CD1-CZ 3.96Å; F49-F109 HydrophobicContact CE1-CE2 4.01Å; F49-F112 AromaticContact CE1-CD1 3.9Å; F49-F112 HydrophobicContact CE1-CD1 3.9Å; F49-F112 HydrophobicContact CE1-CE1 4.28Å; F49-F112 HydrophobicContact CE2-CD1 4.41Å; F49-F112 HydrophobicContact CE2-CE1 4.02Å; F49-F112 AromaticContact CZ-CD1 3.43Å; F49-F112 HydrophobicContact CZ-CD1 3.43Å; F49-F112 VanDerWaalsContact CZ-CD1 3.43Å; F49-F112 AromaticContact CZ-CE1 3.46Å; F49-F112 HydrophobicContact CZ-CE1 3.46Å; F49-F112 VanDerWaalsContact CZ-CE1 3.46Å; F49-K113 HydrophobicContact CD1-CB 4.1Å; F49-K113 HydrophobicContact CD1-CD 4.36Å; F49-K113 HydrophobicContact CD1-CG 3.93Å; F49-K113 VanDerWaalsContact CE1-CA 3.43Å; F49-K113 HydrophobicContact CE1-CB 3.46Å; F49-K113 VanDerWaalsContact CE1-CB 3.46Å; F49-K113 HydrophobicContact CE1-CG 3.72Å; F49-K113 HydrophobicContact CZ-CB 4.16Å; F49-K113 HydrophobicContact CZ-CG 4.4Å; F49-W116 HydrophobicContact CE2-CB 3.89Å; F49-W116 AromaticContact CE2-CD1 3.27Å; F49-W116 HydrophobicContact CE2-CD2 4.23Å; F49-W116 AromaticContact CE2-CG 3.5Å; F49-W116 HydrophobicContact CE2-CG 3.5Å; F49-W116 AromaticContact CE2-NE1 3.88Å; F49-W116 HydrophobicContact CZ-CB 3.77Å; F49-W116 AromaticContact CZ-CG 3.91Å; F49-W116 HydrophobicContact CZ-CG 3.91Å
50	R	86.9	Confident	83.3	Confident	9 Å²	9	83.4 Å²	83.4	3%	0.034	42%	0.415	C	S	.	.	H	α-helix	trans	-59.6	-38.9	174.3	-177.7	173.6	-69.4	-78.8	-5	112.4	E42 E46 Q48 F53 Q54 F109	E42-R50 IonicContact OE1-CZ 3.7Å; E42-R50 IonicContact OE1-NE 3.4Å; E42-R50 PolarHBondContact OE1-NE 2.93Å; E42-R50 IonicContact OE1-NH2 3.53Å; E42-R50 PolarHBondContact OE1-NH2 3.36Å; E42-R50 WeakPolarHBondContact OE2-CD 3.27Å; E42-R50 IonicContact OE2-CZ 2.56Å; E42-R50 IonicContact OE2-NE 2.78Å; E42-R50 PolarHBondContact OE2-NE 2.94Å; E46-R50 VanDerWaalsContact O-CB 3.28Å; E46-R50 WeakPolarHBondContact O-CB 3.27Å; E46-R50 PolarHBondContact O-N 2.82Å; Q48-R50 VanDerWaalsContact C-N 3.33Å; Q48-R50 PolarHBondContact O-N 2.95Å; R50-F53 PolarHBondContact O-N 3.4Å; R50-Q54 HydrophobicContact CG-CG 4.48Å; R50-Q54 WeakPolarHBondContact O-CB 3.38Å; R50-Q54 VanDerWaalsContact O-CG 3.31Å; R50-Q54 WeakPolarHBondContact O-CG 3.37Å; R50-Q54 PolarHBondContact O-N 3.04Å; R50-F109 HydrophobicContact CB-CE2 3.88Å; R50-F109 HydrophobicContact CB-CZ 4.18Å; R50-F109 HydrophobicContact CG-CE2 4.36Å; R50-F109 VanDerWaalsContact NH2-CE1 3.32Å
51	K	87.1	Confident	84.4	Confident	125 Å²	125	78.8 Å²	78.8	54%	0.543	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-41.8	173.6	-70.1	176.8	179.9	-178	0	112.1	R47 Q48 F49 Q54 Q55	R47-K51 WeakPolarHBondContact O-CG 3.42Å; R47-K51 PolarHBondContact O-N 2.94Å; Q48-K51 WeakPolarHBondContact O-CB 3.49Å; Q48-K51 PolarHBondContact O-N 3.4Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 3.17Å; K51-Q54 PolarHBondContact O-N 3.5Å; K51-Q55 VanDerWaalsContact O-CG 3.32Å; K51-Q55 WeakPolarHBondContact O-CG 3.19Å; K51-Q55 PolarHBondContact O-N 2.87Å
52	V	86.4	Confident	85.6	Confident	65 Å²	65	75.1 Å²	75.1	39%	0.394	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-44.5	175.9	179.9	0	0	0	0	110.3	Q48 F49 Q55 L56	Q48-V52 PolarHBondContact O-N 3.09Å; F49-V52 WeakPolarHBondContact O-CB 3.26Å; F49-V52 PolarHBondContact O-N 3.2Å; F49-V52 VanDerWaalsContact O-N 3.11Å; V52-Q55 PolarHBondContact O-N 3.41Å; V52-L56 WeakPolarHBondContact O-CB 3.37Å; V52-L56 PolarHBondContact O-N 2.98Å
53	F	89.8	Confident	86.6	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.009	37%	0.368	C	S	.	.	H	α-helix	trans	-59.1	-49.5	176.3	175.9	-96.4	0	0	0	112.1	F49 R50 Q55 L56 A57 M61 V63 F109 F112	F49-F53 PolarHBondContact O-N 3.45Å; R50-F53 PolarHBondContact O-N 3.4Å; F53-Q55 VanDerWaalsContact C-N 3.31Å; F53-Q55 PolarHBondContact O-N 2.77Å; F53-L56 PolarHBondContact O-N 2.96Å; F53-A57 HydrophobicContact CD1-CB 4.44Å; F53-A57 HydrophobicContact CE1-CB 4.09Å; F53-A57 HydrophobicContact CE2-CB 4.34Å; F53-A57 HydrophobicContact CZ-CB 4.04Å; F53-A57 VanDerWaalsContact O-CB 3.29Å; F53-A57 WeakPolarHBondContact O-CB 3.17Å; F53-A57 PolarHBondContact O-N 3.05Å; F53-M61 HydrophobicContact CE1-CE 4.15Å; F53-M61 WeakPolarHBondContact CZ-O 3.45Å; F53-V63 HydrophobicContact CD2-CG2 3.84Å; F53-V63 HydrophobicContact CE2-CG2 3.6Å; F53-F109 HydrophobicContact CB-CD2 3.89Å; F53-F109 HydrophobicContact CB-CE2 4.21Å; F53-F109 HydrophobicContact CD1-CB 4.25Å; F53-F109 AromaticContact CD1-CD2 3.81Å; F53-F109 HydrophobicContact CD1-CD2 3.81Å; F53-F109 HydrophobicContact CD2-CD2 4.16Å; F53-F109 HydrophobicContact CE1-CB 3.97Å; F53-F109 HydrophobicContact CE1-CD2 4.38Å; F53-F109 HydrophobicContact CE2-CB 4.26Å; F53-F109 AromaticContact CG-CD2 3.68Å; F53-F109 HydrophobicContact CG-CD2 3.68Å; F53-F109 HydrophobicContact CG-CE2 4.47Å; F53-F109 HydrophobicContact CZ-CB 3.96Å; F53-F109 VanDerWaalsContact CZ-N 3.34Å; F53-F112 HydrophobicContact CD2-CB 4.1Å; F53-F112 AromaticContact CD2-CD1 3.67Å; F53-F112 HydrophobicContact CD2-CD1 3.67Å; F53-F112 HydrophobicContact CD2-CE1 4.47Å; F53-F112 HydrophobicContact CD2-CG 4.12Å; F53-F112 HydrophobicContact CE2-CB 4.04Å; F53-F112 HydrophobicContact CE2-CD1 4.43Å; F53-F112 HydrophobicContact CE2-CG 4.45Å
54	Q	88.9	Confident	87.3	Confident	75 Å²	75	70.8 Å²	70.8	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-40	178.9	-75.7	170.9	-15.5	0	0	112.3	R50 K51 L56 G58 M61	R50-Q54 HydrophobicContact CG-CG 4.48Å; R50-Q54 WeakPolarHBondContact O-CB 3.38Å; R50-Q54 VanDerWaalsContact O-CG 3.31Å; R50-Q54 WeakPolarHBondContact O-CG 3.37Å; R50-Q54 PolarHBondContact O-N 3.04Å; K51-Q54 PolarHBondContact O-N 3.5Å; Q54-L56 PolarHBondContact O-N 3.04Å; Q54-G58 PolarHBondContact O-N 2.72Å; Q54-M61 HydrophobicContact CG-CE 4.01Å; Q54-M61 HydrophobicContact CG-SD 4.12Å
55	Q	87.4	Confident	88	Confident	169 Å²	169	66.1 Å²	66.1	79%	0.79	33%	0.329	S	S	*	.	H	α-helix	trans	-67	-27.3	175.6	-74	179.3	0.9	0	0	113.1	K51 V52 F53	K51-Q55 VanDerWaalsContact O-CG 3.32Å; K51-Q55 WeakPolarHBondContact O-CG 3.19Å; K51-Q55 PolarHBondContact O-N 2.87Å; V52-Q55 PolarHBondContact O-N 3.41Å; F53-Q55 VanDerWaalsContact C-N 3.31Å; F53-Q55 PolarHBondContact O-N 2.77Å
56	L	88.8	Confident	88.8	Confident	27 Å²	27	62.2 Å²	62.2	14%	0.141	32%	0.316	C	S	.	.	H	α-helix	trans	-86.7	-44.3	-178.4	-177.3	63.8	0	0	0	112.6	V52 F53 Q54 V63 E67 I71 F112	V52-L56 WeakPolarHBondContact O-CB 3.37Å; V52-L56 PolarHBondContact O-N 2.98Å; F53-L56 PolarHBondContact O-N 2.96Å; Q54-L56 PolarHBondContact O-N 3.04Å; L56-V63 HydrophobicContact CD2-CG1 3.81Å; L56-V63 HydrophobicContact CD2-CG2 3.81Å; L56-V63 HydrophobicContact CG-CG1 4.26Å; L56-V63 HydrophobicContact CG-CG2 4.12Å; L56-E67 HydrophobicContact CD1-CB 3.91Å; L56-E67 HydrophobicContact CG-CB 4.15Å; L56-I71 HydrophobicContact CD1-CB 3.82Å; L56-I71 HydrophobicContact CD1-CG1 4.48Å; L56-I71 HydrophobicContact CD1-CG2 4.14Å; L56-I71 HydrophobicContact CD2-CB 4.14Å; L56-I71 HydrophobicContact CD2-CG1 4.42Å; L56-I71 HydrophobicContact CD2-CG2 3.73Å; L56-F112 HydrophobicContact CD2-CE1 4.11Å; L56-F112 HydrophobicContact CD2-CE2 3.83Å; L56-F112 HydrophobicContact CD2-CZ 3.51Å
57	A	88	Confident	89.6	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-79.8	-20.2	-175	0	0	0	0	0	113.3	F53 D59 E62 V63	F53-A57 HydrophobicContact CD1-CB 4.44Å; F53-A57 HydrophobicContact CE1-CB 4.09Å; F53-A57 HydrophobicContact CE2-CB 4.34Å; F53-A57 HydrophobicContact CZ-CB 4.04Å; F53-A57 VanDerWaalsContact O-CB 3.29Å; F53-A57 WeakPolarHBondContact O-CB 3.17Å; F53-A57 PolarHBondContact O-N 3.05Å; A57-D59 PolarHBondContact O-N 2.85Å; A57-E62 WeakPolarHBondContact CA-O 3.39Å; A57-E62 WeakPolarHBondContact CB-O 3.47Å; A57-V63 HydrophobicContact CB-CG2 4.18Å
58	G	88.4	Confident	90.1	Very high	37 Å²	37	56.1 Å²	56.1	38%	0.381	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	61.2	-139.2	179.2	0	0	0	0	0	112.9	Q54	Q54-G58 PolarHBondContact O-N 2.72Å
59	D	84.2	Confident	90.7	Very high	175 Å²	175	51.4 Å²	51.4	94%	0.936	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-76.8	-26.6	-167.9	-65	-26.3	0	0	0	114	A57	A57-D59 PolarHBondContact O-N 2.85Å
60	D	87.7	Confident	91.1	Very high	74 Å²	74	54.6 Å²	54.6	40%	0.396	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-87.1	-8.8	-177.3	67.5	17	0	0	0	113.4	E62 K106	D60-E62 PolarHBondContact O-N 3.49Å; D60-E62 PolarHBondContact OD1-N 3.38Å; D60-E62 VanDerWaalsContact OD1-O 3.06Å; D60-K106 IonicContact OD2-NZ 3.35Å; D60-K106 PolarHBondContact OD2-NZ 3.41Å
61	M	88.6	Confident	91.4	Very high	60 Å²	60	55.2 Å²	55.2	30%	0.296	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	29.5	178.6	-66.7	-72.1	-67.5	0	0	113.6	F53 Q54	F53-M61 HydrophobicContact CE1-CE 4.15Å; F53-M61 WeakPolarHBondContact CZ-O 3.45Å; Q54-M61 HydrophobicContact CG-CE 4.01Å; Q54-M61 HydrophobicContact CG-SD 4.12Å
62	E	93	Very high	91.7	Very high	33 Å²	33	49.5 Å²	49.5	15%	0.154	27%	0.268	C	S	.	.	S	Bend	trans	-132.8	151.8	169.6	-59.4	-172.2	128.1	0	0	111.4	R32 A57 D60 T104 K106 L107	R32-E62 IonicContact CZ-OE1 2.77Å; R32-E62 IonicContact NH1-OE1 3.51Å; R32-E62 PolarHBondContact NH1-OE1 3.16Å; R32-E62 IonicContact NH2-OE1 3.4Å; R32-E62 PolarHBondContact NH2-OE1 3.19Å; A57-E62 WeakPolarHBondContact CA-O 3.39Å; A57-E62 WeakPolarHBondContact CB-O 3.47Å; D60-E62 PolarHBondContact O-N 3.49Å; D60-E62 PolarHBondContact OD1-N 3.38Å; D60-E62 VanDerWaalsContact OD1-O 3.06Å; E62-T104 WeakPolarHBondContact OE1-CB 3.19Å; E62-T104 WeakPolarHBondContact OE1-CG2 3.3Å; E62-T104 PolarHBondContact OE1-OG1 3.37Å; E62-T104 PolarHBondContact OE2-OG1 2.98Å; E62-K106 HydrophobicContact CB-CB 3.57Å; E62-K106 HydrophobicContact CB-CD 3.83Å; E62-K106 HydrophobicContact CB-CG 4.38Å; E62-K106 HydrophobicContact CG-CB 4.42Å; E62-L107 CarbonylContact C-O 3.57Å; E62-L107 WeakPolarHBondContact CA-O 3.03Å
63	V	95.3	Very high	92.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-98	113.8	178.9	179.3	0	0	0	0	109.7	F53 L56 A57 E67 L68 L107 F112	F53-V63 HydrophobicContact CD2-CG2 3.84Å; F53-V63 HydrophobicContact CE2-CG2 3.6Å; L56-V63 HydrophobicContact CD2-CG1 3.81Å; L56-V63 HydrophobicContact CD2-CG2 3.81Å; L56-V63 HydrophobicContact CG-CG1 4.26Å; L56-V63 HydrophobicContact CG-CG2 4.12Å; A57-V63 HydrophobicContact CB-CG2 4.18Å; V63-E67 HydrophobicContact CG1-CB 3.96Å; V63-L68 HydrophobicContact CG1-CB 4.13Å; V63-L107 HydrophobicContact CB-CB 4.28Å; V63-L107 PolarHBondContact N-O 3.41Å; V63-L107 PolarHBondContact O-N 3.37Å; V63-F112 HydrophobicContact CB-CD2 4.2Å; V63-F112 HydrophobicContact CG1-CD2 4.09Å; V63-F112 HydrophobicContact CG1-CE2 4.2Å; V63-F112 HydrophobicContact CG2-CB 4.41Å; V63-F112 HydrophobicContact CG2-CD1 4.45Å; V63-F112 HydrophobicContact CG2-CD2 4.02Å; V63-F112 HydrophobicContact CG2-CE2 4.44Å; V63-F112 HydrophobicContact CG2-CG 4.03Å
64	S	96.2	Very high	92.2	Very high	19 Å²	19	57 Å²	57	13%	0.133	29%	0.293	C	S	.	.			trans	-75.4	163.6	174	70.2	0	0	0	0	112.8	T66 E67 L68	S64-T66 PolarHBondContact O-N 3Å; S64-E67 WeakPolarHBondContact CB-OE2 3.36Å; S64-E67 PolarHBondContact N-OE2 3.45Å; S64-E67 PolarHBondContact O-N 3.45Å; S64-E67 VanDerWaalsContact O-N 3.17Å; S64-E67 VanDerWaalsContact OG-CD 3.23Å; S64-E67 WeakPolarHBondContact OG-CG 3.47Å; S64-E67 PolarHBondContact OG-N 3.47Å; S64-E67 PolarHBondContact OG-OE2 3.21Å; S64-L68 PolarHBondContact O-N 3.45Å
65	P	96.3	Very high	92.1	Very high	23 Å²	23	56.1 Å²	56.1	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-55	-36.3	173.6	-27.5	34.9	0	0	0	113.8	M69 I89 C92 R93 V96	P65-M69 WeakPolarHBondContact O-CB 3.32Å; P65-M69 PolarHBondContact O-N 3.4Å; P65-I89 HydrophobicContact CB-CD1 4.05Å; P65-C92 HydrophobicContact CB-CB 4.41Å; P65-C92 WeakPolarHBondContact O-CB 3.41Å; P65-R93 HydrophobicContact CB-CB 4.48Å; P65-R93 HydrophobicContact CB-CG 3.75Å; P65-R93 HydrophobicContact CG-CG 3.92Å; P65-V96 HydrophobicContact CB-CG2 4.32Å; P65-V96 HydrophobicContact CG-CB 4.12Å; P65-V96 HydrophobicContact CG-CG1 4.32Å; P65-V96 HydrophobicContact CG-CG2 3.94Å
66	T	96.4	Very high	92.2	Very high	73 Å²	73	48.6 Å²	48.6	45%	0.448	26%	0.256	S	S	.	.	H	α-helix	trans	-69.1	-42.7	178.8	-54	0	0	0	0	111.5	S64 M69 N70	S64-T66 PolarHBondContact O-N 3Å; T66-M69 PolarHBondContact O-N 3Å; T66-N70 WeakPolarHBondContact O-CB 3.35Å; T66-N70 PolarHBondContact O-N 3.26Å; T66-N70 PolarHBondContact O-ND2 2.86Å
67	E	96.1	Very high	92.1	Very high	48 Å²	48	50.7 Å²	50.7	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-43.1	176.2	-74.6	150.9	166.1	0	0	111	L56 V63 S64 M69 N70 I71	L56-E67 HydrophobicContact CD1-CB 3.91Å; L56-E67 HydrophobicContact CG-CB 4.15Å; V63-E67 HydrophobicContact CG1-CB 3.96Å; S64-E67 WeakPolarHBondContact CB-OE2 3.36Å; S64-E67 PolarHBondContact N-OE2 3.45Å; S64-E67 PolarHBondContact O-N 3.45Å; S64-E67 VanDerWaalsContact O-N 3.17Å; S64-E67 VanDerWaalsContact OG-CD 3.23Å; S64-E67 WeakPolarHBondContact OG-CG 3.47Å; S64-E67 PolarHBondContact OG-N 3.47Å; S64-E67 PolarHBondContact OG-OE2 3.21Å; E67-M69 PolarHBondContact O-N 3.46Å; E67-N70 PolarHBondContact O-N 3.41Å; E67-I71 WeakPolarHBondContact O-CG2 3.34Å; E67-I71 PolarHBondContact O-N 3.27Å
68	L	96.3	Very high	92.1	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-57.1	-47.9	174	-178	63.2	0	0	0	111.5	V63 S64 N70 I71 L72 C92 M95 V96 F112 L115	V63-L68 HydrophobicContact CG1-CB 4.13Å; S64-L68 PolarHBondContact O-N 3.45Å; L68-N70 PolarHBondContact O-N 3.41Å; L68-I71 VanDerWaalsContact O-CG2 3.23Å; L68-I71 WeakPolarHBondContact O-CG2 3.36Å; L68-I71 PolarHBondContact O-N 3.41Å; L68-L72 HydrophobicContact CD1-CD1 3.77Å; L68-L72 HydrophobicContact CD1-CG 4.02Å; L68-L72 HydrophobicContact CG-CD1 3.79Å; L68-L72 HydrophobicContact CG-CG 4.39Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 VanDerWaalsContact O-CG 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 3.06Å; L68-C92 HydrophobicContact CD2-CB 4.23Å; L68-C92 HydrophobicContact CG-CB 4.46Å; L68-M95 HydrophobicContact CD2-CB 4.04Å; L68-M95 HydrophobicContact CD2-SD 4.42Å; L68-V96 HydrophobicContact CD2-CG2 3.85Å; L68-F112 HydrophobicContact CD1-CD2 4.45Å; L68-F112 HydrophobicContact CD1-CE2 3.94Å; L68-L115 HydrophobicContact CD1-CD2 3.97Å; L68-L115 HydrophobicContact CD2-CD2 3.88Å
69	M	96.4	Very high	92	Very high	40 Å²	40	60.7 Å²	60.7	20%	0.197	31%	0.314	C	S	.	.	H	α-helix	trans	-57.2	-49	176.7	-175.3	-171.9	70.1	0	0	111.5	P65 T66 E67 I71 L72 N73 F87 I89 C92	P65-M69 WeakPolarHBondContact O-CB 3.32Å; P65-M69 PolarHBondContact O-N 3.4Å; T66-M69 PolarHBondContact O-N 3Å; E67-M69 PolarHBondContact O-N 3.46Å; M69-I71 PolarHBondContact O-N 2.99Å; M69-L72 PolarHBondContact O-N 3.37Å; M69-N73 WeakPolarHBondContact O-CB 3.48Å; M69-N73 PolarHBondContact O-N 3.12Å; M69-N73 PolarHBondContact O-ND2 3.12Å; M69-F87 VanDerWaalsContact CG-O 3.26Å; M69-F87 WeakPolarHBondContact CG-O 3.49Å; M69-I89 HydrophobicContact SD-CB 3.93Å; M69-I89 HydrophobicContact SD-CD1 4.28Å; M69-C92 WeakPolarHBondContact CA-SG 3.23Å; M69-C92 HydrophobicContact CB-CB 4.17Å
70	N	94.8	Very high	92	Very high	90 Å²	90	58.5 Å²	58.5	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-44.5	-177.8	-70.8	-23.8	0	0	0	112.1	T66 E67 L68 R74	T66-N70 WeakPolarHBondContact O-CB 3.35Å; T66-N70 PolarHBondContact O-N 3.26Å; T66-N70 PolarHBondContact O-ND2 2.86Å; E67-N70 PolarHBondContact O-N 3.41Å; L68-N70 PolarHBondContact O-N 3.41Å; N70-R74 WeakPolarHBondContact O-CB 3.18Å; N70-R74 PolarHBondContact O-N 2.9Å
71	I	93.3	Very high	92	Very high	22 Å²	22	58 Å²	58	11%	0.113	31%	0.31	C	S	.	.	H	α-helix	trans	-70.1	-41.2	-179.1	-170.6	57.1	0	0	0	112	L56 E67 L68 M69 R74 I75	L56-I71 HydrophobicContact CD1-CB 3.82Å; L56-I71 HydrophobicContact CD1-CG1 4.48Å; L56-I71 HydrophobicContact CD1-CG2 4.14Å; L56-I71 HydrophobicContact CD2-CB 4.14Å; L56-I71 HydrophobicContact CD2-CG1 4.42Å; L56-I71 HydrophobicContact CD2-CG2 3.73Å; E67-I71 WeakPolarHBondContact O-CG2 3.34Å; E67-I71 PolarHBondContact O-N 3.27Å; L68-I71 VanDerWaalsContact O-CG2 3.23Å; L68-I71 WeakPolarHBondContact O-CG2 3.36Å; L68-I71 PolarHBondContact O-N 3.41Å; M69-I71 PolarHBondContact O-N 2.99Å; I71-R74 PolarHBondContact O-N 2.95Å; I71-I75 HydrophobicContact CD1-CD1 3.83Å; I71-I75 HydrophobicContact CD1-CG1 4.37Å; I71-I75 HydrophobicContact CG1-CD1 3.91Å; I71-I75 WeakPolarHBondContact O-CG1 3.37Å; I71-I75 PolarHBondContact O-N 2.81Å; I71-I75 VanDerWaalsContact O-N 3.12Å
72	L	93.8	Very high	92.1	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-48	179.6	-69.4	174.3	0	0	0	110.9	L68 M69 R74 I75 I76 F87 M95 W116 I119	L68-L72 HydrophobicContact CD1-CD1 3.77Å; L68-L72 HydrophobicContact CD1-CG 4.02Å; L68-L72 HydrophobicContact CG-CD1 3.79Å; L68-L72 HydrophobicContact CG-CG 4.39Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 VanDerWaalsContact O-CG 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 3.06Å; M69-L72 PolarHBondContact O-N 3.37Å; L72-R74 VanDerWaalsContact C-N 3.33Å; L72-R74 PolarHBondContact O-N 2.94Å; L72-I75 PolarHBondContact O-N 2.9Å; L72-I75 VanDerWaalsContact O-N 3.12Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 2.94Å; L72-F87 HydrophobicContact CB-CD2 3.38Å; L72-F87 HydrophobicContact CB-CE2 3.64Å; L72-F87 HydrophobicContact CB-CG 4.25Å; L72-F87 HydrophobicContact CD1-CD1 4.42Å; L72-F87 HydrophobicContact CD1-CD2 3.81Å; L72-F87 HydrophobicContact CD1-CE2 3.82Å; L72-F87 HydrophobicContact CD1-CG 4.08Å; L72-F87 HydrophobicContact CD1-CZ 4.25Å; L72-F87 HydrophobicContact CD2-CE2 4.25Å; L72-F87 HydrophobicContact CG-CD2 4.16Å; L72-F87 HydrophobicContact CG-CE2 4.12Å; L72-M95 HydrophobicContact CD1-SD 4.36Å; L72-W116 HydrophobicContact CD2-CZ3 3.8Å; L72-I119 HydrophobicContact CD1-CD1 4.47Å; L72-I119 HydrophobicContact CD2-CD1 3.81Å; L72-I119 HydrophobicContact CD2-CG2 4.46Å
73	N	94.7	Very high	92.1	Very high	52 Å²	52	59.3 Å²	59.3	28%	0.278	31%	0.314	S	S	.	.	H	α-helix	trans	-65.3	-35.7	178.3	-71.8	-18.8	0	0	0	112.3	M69 I75 G77 F87	M69-N73 WeakPolarHBondContact O-CB 3.48Å; M69-N73 PolarHBondContact O-N 3.12Å; M69-N73 PolarHBondContact O-ND2 3.12Å; N73-I75 VanDerWaalsContact C-N 3.26Å; N73-I75 PolarHBondContact O-N 3.25Å; N73-G77 PolarHBondContact O-N 3.26Å; N73-F87 PolarHBondContact ND2-O 2.88Å; N73-F87 PolarHBondContact OD1-N 3.44Å
74	R	91.8	Very high	92.1	Very high	171 Å²	171	61.6 Å²	61.6	65%	0.645	33%	0.328	S	S	*	.	H	α-helix	trans	-62.6	-33.8	174	-178.4	178.2	-176.9	-169.2	0.4	112.7	N70 I71 L72	N70-R74 WeakPolarHBondContact O-CB 3.18Å; N70-R74 PolarHBondContact O-N 2.9Å; I71-R74 PolarHBondContact O-N 2.95Å; L72-R74 VanDerWaalsContact C-N 3.33Å; L72-R74 PolarHBondContact O-N 2.94Å
75	I	86.9	Confident	91.9	Very high	58 Å²	58	67 Å²	67	30%	0.297	36%	0.355	S	S	.	.	H	α-helix	trans	-82.6	-43.6	-177.6	-73.4	169.5	0	0	0	110.7	I71 L72 N73 G77 K78 W116	I71-I75 HydrophobicContact CD1-CD1 3.83Å; I71-I75 HydrophobicContact CD1-CG1 4.37Å; I71-I75 HydrophobicContact CG1-CD1 3.91Å; I71-I75 WeakPolarHBondContact O-CG1 3.37Å; I71-I75 PolarHBondContact O-N 2.81Å; I71-I75 VanDerWaalsContact O-N 3.12Å; L72-I75 PolarHBondContact O-N 2.9Å; L72-I75 VanDerWaalsContact O-N 3.12Å; N73-I75 VanDerWaalsContact C-N 3.26Å; N73-I75 PolarHBondContact O-N 3.25Å; I75-G77 VanDerWaalsContact C-N 3.34Å; I75-K78 PolarHBondContact O-N 3.35Å; I75-W116 HydrophobicContact CD1-CH2 3.22Å; I75-W116 HydrophobicContact CD1-CZ2 3.74Å; I75-W116 HydrophobicContact CD1-CZ3 4.21Å
76	I	88.6	Confident	91.8	Very high	11 Å²	11	66.8 Å²	66.8	6%	0.056	36%	0.358	C	S	.	.	H	α-helix	trans	-69.4	-34	177.3	-57.7	160.8	0	0	0	111.7	L72 K78 R79 L82 T84 F87 F174	L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 2.94Å; I76-K78 PolarHBondContact O-N 3.43Å; I76-R79 WeakPolarHBondContact O-CB 3.44Å; I76-R79 PolarHBondContact O-N 2.93Å; I76-L82 HydrophobicContact CG2-CB 4.31Å; I76-L82 HydrophobicContact CG2-CD1 4.46Å; I76-T84 HydrophobicContact CB-CG2 4.45Å; I76-T84 HydrophobicContact CG2-CG2 3.37Å; I76-F87 HydrophobicContact CD1-CD2 3.52Å; I76-F87 HydrophobicContact CD1-CE2 3.14Å; I76-F87 HydrophobicContact CD1-CZ 4.13Å; I76-F87 HydrophobicContact CG1-CE2 4.39Å; I76-F174 HydrophobicContact CD1-CD1 3.62Å; I76-F174 HydrophobicContact CD1-CE1 3.72Å; I76-F174 HydrophobicContact CG1-CD1 3.95Å; I76-F174 HydrophobicContact CG1-CE1 3.81Å
77	G	86.9	Confident	91.7	Very high	71 Å²	71	63.5 Å²	63.5	73%	0.732	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-11.2	175.1	0	0	0	0	0	114.5	N73 I75	N73-G77 PolarHBondContact O-N 3.26Å; I75-G77 VanDerWaalsContact C-N 3.34Å
78	K	88.3	Confident	91.7	Very high	160 Å²	160	63.7 Å²	63.7	70%	0.696	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-3.9	173.2	-62.5	177.2	178.9	-177.5	0	113.8	I75 I76	I75-K78 PolarHBondContact O-N 3.35Å; I76-K78 PolarHBondContact O-N 3.43Å
79	R	87	Confident	91.7	Very high	87 Å²	87	66.2 Å²	66.2	33%	0.328	36%	0.357	S	S	.	.			trans	-113.3	101.7	-173.1	-66.9	-68.6	-66.2	-121.6	-0.7	109.1	I76 D81 L82	I76-R79 WeakPolarHBondContact O-CB 3.44Å; I76-R79 PolarHBondContact O-N 2.93Å; R79-D81 WeakPolarHBondContact CB-OD1 3.36Å; R79-D81 IonicContact CZ-OD1 3.53Å; R79-D81 IonicContact CZ-OD2 3.21Å; R79-D81 IonicContact NE-OD1 3.73Å; R79-D81 PolarHBondContact NE-OD1 3.35Å; R79-D81 IonicContact NE-OD2 3.46Å; R79-D81 PolarHBondContact NE-OD2 2.67Å; R79-D81 IonicContact NH2-OD1 3.18Å; R79-D81 IonicContact NH2-OD2 2.76Å; R79-D81 PolarHBondContact NH2-OD2 2.84Å; R79-L82 HydrophobicContact CB-CB 4.39Å; R79-L82 HydrophobicContact CB-CD1 3.98Å; R79-L82 HydrophobicContact CB-CG 4.15Å; R79-L82 HydrophobicContact CG-CD1 4.27Å
80	S	84.2	Confident	91.6	Very high	129 Å²	129	69.7 Å²	69.7	90%	0.902	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.8	176.6	58.3	0	0	0	0	113.4	L82	S80-L82 VanDerWaalsContact C-N 3.31Å
81	D	87	Confident	91.5	Very high	65 Å²	65	67 Å²	67	35%	0.348	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.9	178.5	60.2	-47.3	0	0	0	113.3	R79	R79-D81 WeakPolarHBondContact CB-OD1 3.36Å; R79-D81 IonicContact CZ-OD1 3.53Å; R79-D81 IonicContact CZ-OD2 3.21Å; R79-D81 IonicContact NE-OD1 3.73Å; R79-D81 PolarHBondContact NE-OD1 3.35Å; R79-D81 IonicContact NE-OD2 3.46Å; R79-D81 PolarHBondContact NE-OD2 2.67Å; R79-D81 IonicContact NH2-OD1 3.18Å; R79-D81 IonicContact NH2-OD2 2.76Å; R79-D81 PolarHBondContact NH2-OD2 2.84Å
82	L	91.4	Very high	91.7	Very high	10 Å²	10	65.9 Å²	65.9	5%	0.052	36%	0.355	C	S	.	.	S	Bend	trans	-111.1	121.4	177.7	-60.3	178.5	0	0	0	109.3	I76 R79 S80 Q123 Y126 I127 F174	I76-L82 HydrophobicContact CG2-CB 4.31Å; I76-L82 HydrophobicContact CG2-CD1 4.46Å; R79-L82 HydrophobicContact CB-CB 4.39Å; R79-L82 HydrophobicContact CB-CD1 3.98Å; R79-L82 HydrophobicContact CB-CG 4.15Å; R79-L82 HydrophobicContact CG-CD1 4.27Å; S80-L82 VanDerWaalsContact C-N 3.31Å; L82-Q123 HydrophobicContact CD1-CG 4.43Å; L82-Y126 HydrophobicContact CD2-CD1 3.75Å; L82-Y126 HydrophobicContact CD2-CE1 3.99Å; L82-I127 HydrophobicContact CD2-CD1 4.45Å; L82-I127 HydrophobicContact CD2-CG1 3.91Å; L82-F174 HydrophobicContact CB-CB 4.36Å; L82-F174 HydrophobicContact CB-CG 4.41Å; L82-F174 HydrophobicContact CD1-CD1 4.11Å; L82-F174 HydrophobicContact CD1-CD2 4.07Å; L82-F174 HydrophobicContact CD1-CE1 4.12Å; L82-F174 HydrophobicContact CD1-CE2 4.09Å; L82-F174 HydrophobicContact CD1-CG 4.08Å; L82-F174 HydrophobicContact CD1-CZ 4.11Å; L82-F174 HydrophobicContact CD2-CD2 3.94Å; L82-F174 HydrophobicContact CD2-CE2 4.37Å; L82-F174 HydrophobicContact CD2-CG 4.38Å; L82-F174 HydrophobicContact CG-CD2 4.49Å
83	K	93.5	Very high	91.7	Very high	109 Å²	109	71.6 Å²	71.6	47%	0.474	38%	0.376	S	S	.	.			trans	-85.2	136.8	167	-68.3	-172.5	-177.9	151.6	0	109.7	S134 G135 L136 D173 F174	K83-S134 WeakPolarHBondContact CD-O 3.25Å; K83-S134 WeakPolarHBondContact CE-O 3.35Å; K83-S134 PolarHBondContact NZ-O 2.87Å; K83-G135 WeakPolarHBondContact CB-O 3.2Å; K83-G135 PolarHBondContact N-O 3.41Å; K83-L136 HydrophobicContact CB-CD2 3.67Å; K83-L136 HydrophobicContact CB-CG 4.21Å; K83-L136 HydrophobicContact CD-CD1 4.17Å; K83-L136 HydrophobicContact CD-CD2 4.19Å; K83-L136 HydrophobicContact CD-CG 3.94Å; K83-D173 WeakPolarHBondContact O-CB 3.46Å; K83-F174 WeakPolarHBondContact O-CB 3.28Å; K83-F174 PolarHBondContact O-N 3.39Å
84	T	93.8	Very high	91.7	Very high	49 Å²	49	71 Å²	71	30%	0.301	38%	0.376	S	S	.	.			trans	-165.2	151.8	-179.7	179.5	0	0	0	0	108.2	I76 G86 D175	I76-T84 HydrophobicContact CB-CG2 4.45Å; I76-T84 HydrophobicContact CG2-CG2 3.37Å; T84-G86 VanDerWaalsContact C-N 3.32Å; T84-G86 WeakPolarHBondContact OG1-CA 3.44Å; T84-G86 PolarHBondContact OG1-N 3.41Å; T84-D175 WeakPolarHBondContact CB-OD1 3.39Å; T84-D175 VanDerWaalsContact OG1-CG 3.31Å; T84-D175 PolarHBondContact OG1-OD1 2.91Å
85	D	92.6	Very high	91.9	Very high	132 Å²	132	63 Å²	63	71%	0.706	35%	0.346	S	S	*	.	S	Bend	trans	-89.9	-4	164.4	66	-5.2	0	0	0	112.5
86	G	93.8	Very high	92.3	Very high	19 Å²	19	60.4 Å²	60.4	20%	0.196	33%	0.333	C	S	.	.			trans	98.1	146.5	-179.9	0	0	0	0	0	112.1	T84 S88	T84-G86 VanDerWaalsContact C-N 3.32Å; T84-G86 WeakPolarHBondContact OG1-CA 3.44Å; T84-G86 PolarHBondContact OG1-N 3.41Å; G86-S88 PolarHBondContact O-N 3.46Å; G86-S88 VanDerWaalsContact O-N 3.12Å
87	F	95.6	Very high	92.5	Very high	3 Å²	3	61.1 Å²	61.1	1%	0.013	34%	0.34	C	S	.	.			trans	-61.4	121.5	175.2	-71	-75.1	0	0	0	110.9	M69 L72 N73 I76 M95 F174 D175 I178	M69-F87 VanDerWaalsContact CG-O 3.26Å; M69-F87 WeakPolarHBondContact CG-O 3.49Å; L72-F87 HydrophobicContact CB-CD2 3.38Å; L72-F87 HydrophobicContact CB-CE2 3.64Å; L72-F87 HydrophobicContact CB-CG 4.25Å; L72-F87 HydrophobicContact CD1-CD1 4.42Å; L72-F87 HydrophobicContact CD1-CD2 3.81Å; L72-F87 HydrophobicContact CD1-CE2 3.82Å; L72-F87 HydrophobicContact CD1-CG 4.08Å; L72-F87 HydrophobicContact CD1-CZ 4.25Å; L72-F87 HydrophobicContact CD2-CE2 4.25Å; L72-F87 HydrophobicContact CG-CD2 4.16Å; L72-F87 HydrophobicContact CG-CE2 4.12Å; N73-F87 PolarHBondContact ND2-O 2.88Å; N73-F87 PolarHBondContact OD1-N 3.44Å; I76-F87 HydrophobicContact CD1-CD2 3.52Å; I76-F87 HydrophobicContact CD1-CE2 3.14Å; I76-F87 HydrophobicContact CD1-CZ 4.13Å; I76-F87 HydrophobicContact CG1-CE2 4.39Å; F87-M95 HydrophobicContact CD1-CE 3.82Å; F87-M95 HydrophobicContact CE1-CE 3.47Å; F87-M95 VanDerWaalsContact CE1-CE 3.47Å; F87-M95 HydrophobicContact CZ-CE 4.4Å; F87-F174 HydrophobicContact CE2-CE1 4.49Å; F87-F174 HydrophobicContact CZ-CE1 4.42Å; F87-D175 HydrophobicContact CD1-CB 3.6Å; F87-D175 HydrophobicContact CD2-CB 4.41Å; F87-D175 VanDerWaalsContact CE1-CA 3.45Å; F87-D175 HydrophobicContact CE1-CB 3.52Å; F87-D175 HydrophobicContact CE2-CB 4.45Å; F87-D175 HydrophobicContact CG-CB 4.04Å; F87-D175 HydrophobicContact CZ-CB 4.01Å; F87-I178 HydrophobicContact CE1-CB 4.03Å; F87-I178 HydrophobicContact CE1-CG2 4.1Å; F87-I178 HydrophobicContact CZ-CB 3.87Å; F87-I178 HydrophobicContact CZ-CG1 4.22Å; F87-I178 HydrophobicContact CZ-CG2 3.94Å
88	S	95.8	Very high	92.7	Very high	53 Å²	53	58.5 Å²	58.5	37%	0.371	31%	0.31	S	S	.	.			trans	-74	157.5	171.2	82.3	0	0	0	0	111.5	G86 E90 S91 C92	G86-S88 PolarHBondContact O-N 3.46Å; G86-S88 VanDerWaalsContact O-N 3.12Å; S88-E90 PolarHBondContact O-N 3Å; S88-E90 PolarHBondContact OG-N 2.96Å; S88-S91 PolarHBondContact O-N 3.01Å; S88-S91 PolarHBondContact OG-N 3.43Å; S88-S91 PolarHBondContact OG-OG 3.27Å; S88-C92 PolarHBondContact O-N 3.02Å
89	I	95.8	Very high	92.8	Very high	53 Å²	53	51.2 Å²	51.2	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-32.5	174.2	-171	58.2	0	0	0	112	P65 M69 C92 R93	P65-I89 HydrophobicContact CB-CD1 4.05Å; M69-I89 HydrophobicContact SD-CB 3.93Å; M69-I89 HydrophobicContact SD-CD1 4.28Å; I89-C92 PolarHBondContact O-N 3.35Å; I89-R93 WeakPolarHBondContact O-CG 3.48Å; I89-R93 PolarHBondContact O-N 3.28Å
90	E	93.6	Very high	93	Very high	114 Å²	114	47.5 Å²	47.5	53%	0.533	27%	0.265	S	S	.	.	H	α-helix	trans	-73.4	-40.3	-179	-165.4	57.4	-153.9	0	0	111.5	S88 C92 R93 S94	S88-E90 PolarHBondContact O-N 3Å; S88-E90 PolarHBondContact OG-N 2.96Å; E90-C92 VanDerWaalsContact C-N 3.3Å; E90-C92 PolarHBondContact O-N 2.87Å; E90-R93 PolarHBondContact O-N 3.47Å; E90-R93 IonicContact OE2-CZ 4Å; E90-R93 IonicContact OE2-NH1 2.96Å; E90-R93 PolarHBondContact OE2-NH1 2.74Å; E90-S94 PolarHBondContact O-N 2.97Å
91	S	93.8	Very high	93.1	Very high	32 Å²	32	45.7 Å²	45.7	22%	0.224	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-45.5	170.8	-55.2	0	0	0	0	110.4	S88 S94 M95	S88-S91 PolarHBondContact O-N 3.01Å; S88-S91 PolarHBondContact OG-N 3.43Å; S88-S91 PolarHBondContact OG-OG 3.27Å; S91-S94 PolarHBondContact O-N 3.24Å; S91-M95 VanDerWaalsContact O-CG 3.28Å; S91-M95 WeakPolarHBondContact O-CG 3.35Å; S91-M95 PolarHBondContact O-N 2.92Å
92	C	96.1	Very high	93	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-36	178.1	-67.5	0	0	0	0	113.3	P65 L68 M69 S88 I89 E90 M95 V96	P65-C92 HydrophobicContact CB-CB 4.41Å; P65-C92 WeakPolarHBondContact O-CB 3.41Å; L68-C92 HydrophobicContact CD2-CB 4.23Å; L68-C92 HydrophobicContact CG-CB 4.46Å; M69-C92 WeakPolarHBondContact CA-SG 3.23Å; M69-C92 HydrophobicContact CB-CB 4.17Å; S88-C92 PolarHBondContact O-N 3.02Å; I89-C92 PolarHBondContact O-N 3.35Å; E90-C92 VanDerWaalsContact C-N 3.3Å; E90-C92 PolarHBondContact O-N 2.87Å; C92-M95 PolarHBondContact O-N 3.17Å; C92-V96 VanDerWaalsContact O-CG2 3.32Å; C92-V96 WeakPolarHBondContact O-CG2 3.49Å; C92-V96 PolarHBondContact O-N 2.91Å
93	R	95.5	Very high	92.8	Very high	126 Å²	126	49.4 Å²	49.4	48%	0.475	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-45.7	171.9	-78.8	179.4	-172	136.2	0.7	111.3	P65 I89 E90 V96 A97	P65-R93 HydrophobicContact CB-CB 4.48Å; P65-R93 HydrophobicContact CB-CG 3.75Å; P65-R93 HydrophobicContact CG-CG 3.92Å; I89-R93 WeakPolarHBondContact O-CG 3.48Å; I89-R93 PolarHBondContact O-N 3.28Å; E90-R93 PolarHBondContact O-N 3.47Å; E90-R93 IonicContact OE2-CZ 4Å; E90-R93 IonicContact OE2-NH1 2.96Å; E90-R93 PolarHBondContact OE2-NH1 2.74Å; R93-V96 PolarHBondContact O-N 3.16Å; R93-A97 WeakPolarHBondContact O-CB 3.21Å; R93-A97 PolarHBondContact O-N 3.43Å
94	S	93.8	Very high	92.5	Very high	39 Å²	39	47.1 Å²	47.1	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-46.1	176.1	-177.5	0	0	0	0	111	E90 S91 V96 A97 V98	E90-S94 PolarHBondContact O-N 2.97Å; S91-S94 PolarHBondContact O-N 3.24Å; S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 2.94Å; S94-A97 PolarHBondContact O-N 3.18Å; S94-V98 VanDerWaalsContact O-CG1 3.3Å; S94-V98 WeakPolarHBondContact O-CG1 3.43Å; S94-V98 PolarHBondContact O-N 2.95Å; S94-V98 VanDerWaalsContact O-N 3.13Å
95	M	95.3	Very high	92.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-40.9	177.3	-70.1	176.5	-176	0	0	113	L68 L72 F87 S91 C92 V98 M99 I178 V182	L68-M95 HydrophobicContact CD2-CB 4.04Å; L68-M95 HydrophobicContact CD2-SD 4.42Å; L72-M95 HydrophobicContact CD1-SD 4.36Å; F87-M95 HydrophobicContact CD1-CE 3.82Å; F87-M95 HydrophobicContact CE1-CE 3.47Å; F87-M95 VanDerWaalsContact CE1-CE 3.47Å; F87-M95 HydrophobicContact CZ-CE 4.4Å; S91-M95 VanDerWaalsContact O-CG 3.28Å; S91-M95 WeakPolarHBondContact O-CG 3.35Å; S91-M95 PolarHBondContact O-N 2.92Å; C92-M95 PolarHBondContact O-N 3.17Å; M95-V98 WeakPolarHBondContact O-CG2 3.28Å; M95-M99 WeakPolarHBondContact O-CB 3.23Å; M95-M99 VanDerWaalsContact O-CG 3.24Å; M95-M99 WeakPolarHBondContact O-CG 3.39Å; M95-M99 PolarHBondContact O-N 3.17Å; M95-I178 HydrophobicContact CE-CB 4.46Å; M95-I178 HydrophobicContact CE-CG2 3.76Å; M95-V182 HydrophobicContact CB-CG1 4.17Å; M95-V182 HydrophobicContact CE-CG2 4.49Å; M95-V182 HydrophobicContact CG-CB 4.26Å; M95-V182 HydrophobicContact CG-CG1 3.91Å; M95-V182 HydrophobicContact CG-CG2 4.26Å
96	V	95.1	Very high	92.5	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-49.2	176.5	170	0	0	0	0	109.9	P65 L68 C92 R93 S94 V98 M99 D100 L107	P65-V96 HydrophobicContact CB-CG2 4.32Å; P65-V96 HydrophobicContact CG-CB 4.12Å; P65-V96 HydrophobicContact CG-CG1 4.32Å; P65-V96 HydrophobicContact CG-CG2 3.94Å; L68-V96 HydrophobicContact CD2-CG2 3.85Å; C92-V96 VanDerWaalsContact O-CG2 3.32Å; C92-V96 WeakPolarHBondContact O-CG2 3.49Å; C92-V96 PolarHBondContact O-N 2.91Å; R93-V96 PolarHBondContact O-N 3.16Å; S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 2.94Å; V96-V98 VanDerWaalsContact C-N 3.3Å; V96-V98 PolarHBondContact O-N 3.27Å; V96-M99 CarbonylContact O-C 3.58Å; V96-M99 PolarHBondContact O-N 2.64Å; V96-D100 WeakPolarHBondContact O-CB 3.32Å; V96-D100 PolarHBondContact O-N 2.74Å; V96-L107 HydrophobicContact CB-CD2 4.43Å; V96-L107 HydrophobicContact CB-CG 4.41Å; V96-L107 HydrophobicContact CG1-CD2 4.04Å; V96-L107 HydrophobicContact CG1-CG 4.13Å; V96-L107 HydrophobicContact CG2-CD1 4.04Å; V96-L107 HydrophobicContact CG2-CG 4.02Å
97	A	92.9	Very high	92.5	Very high	26 Å²	26	42 Å²	42	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-41	-177.5	0	0	0	0	0	112.9	R93 S94 M99 Y215	R93-A97 WeakPolarHBondContact O-CB 3.21Å; R93-A97 PolarHBondContact O-N 3.43Å; S94-A97 PolarHBondContact O-N 3.18Å; A97-M99 VanDerWaalsContact C-N 3.29Å; A97-M99 PolarHBondContact O-N 3.27Å; A97-Y215 WeakPolarHBondContact CB-O 3.43Å
98	V	91.4	Very high	92.3	Very high	16 Å²	16	42 Å²	42	10%	0.097	25%	0.245	C	C	.	.	H	α-helix	trans	-77.4	-13.5	180	-47.2	0	0	0	0	114.8	S94 M95 V96 V182 A186 S216	S94-V98 VanDerWaalsContact O-CG1 3.3Å; S94-V98 WeakPolarHBondContact O-CG1 3.43Å; S94-V98 PolarHBondContact O-N 2.95Å; S94-V98 VanDerWaalsContact O-N 3.13Å; M95-V98 WeakPolarHBondContact O-CG2 3.28Å; V96-V98 VanDerWaalsContact C-N 3.3Å; V96-V98 PolarHBondContact O-N 3.27Å; V98-V182 HydrophobicContact CG2-CG1 3.41Å; V98-V182 VanDerWaalsContact CG2-CG1 3.41Å; V98-A186 HydrophobicContact CB-CB 3.63Å; V98-A186 HydrophobicContact CG1-CB 4.41Å; V98-A186 HydrophobicContact CG2-CB 3.86Å; V98-S216 VanDerWaalsContact CG1-C 3.42Å; V98-S216 WeakPolarHBondContact CG1-OXT 3.46Å
99	M	91.9	Very high	92	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-106	-18.8	-179.7	-67.7	-57.7	-150.9	0	0	112.9	M95 V96 A97 S101 L107 E111 F114 L115 V182 R189	M95-M99 WeakPolarHBondContact O-CB 3.23Å; M95-M99 VanDerWaalsContact O-CG 3.24Å; M95-M99 WeakPolarHBondContact O-CG 3.39Å; M95-M99 PolarHBondContact O-N 3.17Å; V96-M99 CarbonylContact O-C 3.58Å; V96-M99 PolarHBondContact O-N 2.64Å; A97-M99 VanDerWaalsContact C-N 3.29Å; A97-M99 PolarHBondContact O-N 3.27Å; M99-S101 PolarHBondContact O-N 3.22Å; M99-L107 HydrophobicContact CB-CD2 3.64Å; M99-E111 WeakPolarHBondContact O-CG 3.23Å; M99-F114 HydrophobicContact CE-CD1 3.71Å; M99-F114 HydrophobicContact CE-CE1 3.68Å; M99-F114 HydrophobicContact SD-CD1 3.81Å; M99-F114 HydrophobicContact SD-CE1 3.83Å; M99-L115 HydrophobicContact CE-CB 3.93Å; M99-L115 HydrophobicContact CE-CD1 3.53Å; M99-L115 HydrophobicContact CE-CG 4.32Å; M99-L115 HydrophobicContact CG-CB 4.32Å; M99-L115 HydrophobicContact CG-CD1 4.2Å; M99-L115 HydrophobicContact CG-CD2 4.49Å; M99-V182 HydrophobicContact CE-CG1 4.29Å; M99-R189 PolarHBondContact SD-NH2 2.93Å; M99-R189 VanDerWaalsContact SD-NH2 3.41Å
100	D	90.7	Very high	91.7	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.048	23%	0.225	C	C	.	.			trans	-72.4	83	177.9	176.3	25.5	0	0	0	110.6	V96 S103 T104 G105 L107 Y215	V96-D100 WeakPolarHBondContact O-CB 3.32Å; V96-D100 PolarHBondContact O-N 2.74Å; D100-S103 VanDerWaalsContact OD1-CA 3.24Å; D100-S103 WeakPolarHBondContact OD1-CA 3.5Å; D100-S103 PolarHBondContact OD1-N 3.46Å; D100-S103 VanDerWaalsContact OD2-CA 3.28Å; D100-S103 WeakPolarHBondContact OD2-CA 3.24Å; D100-T104 PolarHBondContact OD1-N 2.92Å; D100-T104 PolarHBondContact OD2-N 3.17Å; D100-G105 VanDerWaalsContact OD2-CA 3.24Å; D100-G105 WeakPolarHBondContact OD2-CA 3.3Å; D100-G105 PolarHBondContact OD2-N 3.04Å; D100-L107 HydrophobicContact CB-CD2 4.45Å; D100-Y215 PolarHBondContact OD2-OH 3.19Å; D100-Y215 VanDerWaalsContact OD2-OH 3.05Å
101	S	85.8	Confident	91.7	Very high	92 Å²	92	34 Å²	34	64%	0.643	20%	0.201	S	C	*	.	S	Bend	trans	-77.4	-24.1	-174.1	65.7	0	0	0	0	113.1	M99 E111	M99-S101 PolarHBondContact O-N 3.22Å; S101-E111 WeakPolarHBondContact CB-OE1 2.85Å; S101-E111 PolarHBondContact N-OE1 2.78Å; S101-E111 PolarHBondContact OG-OE1 3.18Å
102	D	85.1	Confident	91.7	Very high	68 Å²	68	32.5 Å²	32.5	36%	0.364	19%	0.19	S	C	.	.	S	Bend	trans	-104.2	7.6	178.3	70.2	-26.6	0	0	0	114	R32 T104	R32-D102 WeakPolarHBondContact CD-OD2 3.41Å; R32-D102 IonicContact CZ-OD1 3.95Å; R32-D102 IonicContact CZ-OD2 2.84Å; R32-D102 IonicContact NE-OD1 3.07Å; R32-D102 IonicContact NE-OD2 2.58Å; R32-D102 PolarHBondContact NE-OD2 3.43Å; R32-D102 IonicContact NH1-OD1 2.67Å; R32-D102 IonicContact NH1-OD2 3.4Å; R32-D102 PolarHBondContact NH1-OD2 2.96Å; R32-D102 IonicContact NH2-OD1 2.6Å; R32-D102 PolarHBondContact NH2-OD1 2.99Å; R32-D102 IonicContact NH2-OD2 3.69Å; R32-D102 PolarHBondContact NH2-OD2 3.24Å; D102-T104 VanDerWaalsContact C-N 3.32Å; D102-T104 PolarHBondContact O-N 3.36Å; D102-T104 WeakPolarHBondContact OD2-CG2 3.41Å
103	S	86.3	Confident	91.4	Very high	85 Å²	85	34.8 Å²	34.8	59%	0.594	20%	0.2	S	C	*	.			trans	60.5	35.7	171.6	-55.1	0	0	0	0	113.7	D100 G105	D100-S103 VanDerWaalsContact OD1-CA 3.24Å; D100-S103 WeakPolarHBondContact OD1-CA 3.5Å; D100-S103 PolarHBondContact OD1-N 3.46Å; D100-S103 VanDerWaalsContact OD2-CA 3.28Å; D100-S103 WeakPolarHBondContact OD2-CA 3.24Å; S103-G105 VanDerWaalsContact C-N 3.28Å
104	T	88.6	Confident	91.3	Very high	60 Å²	60	30 Å²	30	37%	0.368	18%	0.183	S	C	.	.	S	Bend	trans	-80.8	-13.6	174.1	72.5	0	0	0	0	112.6	E62 D100 D102 K106	E62-T104 WeakPolarHBondContact OE1-CB 3.19Å; E62-T104 WeakPolarHBondContact OE1-CG2 3.3Å; E62-T104 PolarHBondContact OE1-OG1 3.37Å; E62-T104 PolarHBondContact OE2-OG1 2.98Å; D100-T104 PolarHBondContact OD1-N 2.92Å; D100-T104 PolarHBondContact OD2-N 3.17Å; D102-T104 VanDerWaalsContact C-N 3.32Å; D102-T104 PolarHBondContact O-N 3.36Å; D102-T104 WeakPolarHBondContact OD2-CG2 3.41Å; T104-K106 VanDerWaalsContact C-N 3.27Å; T104-K106 PolarHBondContact OG1-N 3.29Å; T104-K106 PolarHBondContact OG1-O 2.92Å; T104-K106 VanDerWaalsContact OG1-O 3.07Å
105	G	90.4	Very high	91.3	Very high	29 Å²	29	28.1 Å²	28.1	30%	0.299	17%	0.17	S	C	.	.	S	Bend	trans	81.1	4.8	-173.2	0	0	0	0	0	113.5	D100 S103	D100-G105 VanDerWaalsContact OD2-CA 3.24Å; D100-G105 WeakPolarHBondContact OD2-CA 3.3Å; D100-G105 PolarHBondContact OD2-N 3.04Å; S103-G105 VanDerWaalsContact C-N 3.28Å
106	K	94.5	Very high	91.2	Very high	63 Å²	63	29.9 Å²	29.9	27%	0.274	18%	0.176	S	C	.	.	S	Bend	trans	-144.1	166.5	180	-61.5	-176.3	-179.4	172.9	0	110.2	D60 E62 T104	D60-K106 IonicContact OD2-NZ 3.35Å; D60-K106 PolarHBondContact OD2-NZ 3.41Å; E62-K106 HydrophobicContact CB-CB 3.57Å; E62-K106 HydrophobicContact CB-CD 3.83Å; E62-K106 HydrophobicContact CB-CG 4.38Å; E62-K106 HydrophobicContact CG-CB 4.42Å; T104-K106 VanDerWaalsContact C-N 3.27Å; T104-K106 PolarHBondContact OG1-N 3.29Å; T104-K106 PolarHBondContact OG1-O 2.92Å; T104-K106 VanDerWaalsContact OG1-O 3.07Å
107	L	94.2	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-98.4	117.6	-178.3	-54.3	-179.5	0	0	0	111.5	E62 V63 V96 M99 D100 E111 F112 L115	E62-L107 CarbonylContact C-O 3.57Å; E62-L107 WeakPolarHBondContact CA-O 3.03Å; V63-L107 HydrophobicContact CB-CB 4.28Å; V63-L107 PolarHBondContact N-O 3.41Å; V63-L107 PolarHBondContact O-N 3.37Å; V96-L107 HydrophobicContact CB-CD2 4.43Å; V96-L107 HydrophobicContact CB-CG 4.41Å; V96-L107 HydrophobicContact CG1-CD2 4.04Å; V96-L107 HydrophobicContact CG1-CG 4.13Å; V96-L107 HydrophobicContact CG2-CD1 4.04Å; V96-L107 HydrophobicContact CG2-CG 4.02Å; M99-L107 HydrophobicContact CB-CD2 3.64Å; D100-L107 HydrophobicContact CB-CD2 4.45Å; L107-E111 HydrophobicContact CB-CB 4.22Å; L107-E111 HydrophobicContact CD2-CB 4.11Å; L107-F112 HydrophobicContact CB-CB 4.11Å; L107-F112 HydrophobicContact CD1-CD2 4.47Å; L107-L115 HydrophobicContact CD1-CD2 3.61Å
108	G	92.5	Very high	91.2	Very high	3 Å²	3	32 Å²	32	3%	0.031	18%	0.184	C	C	.	.			trans	-69.1	174.7	167.4	0	0	0	0	0	111.6	H110 E111 F112	G108-H110 VanDerWaalsContact C-N 3.33Å; G108-H110 PolarHBondContact O-N 3.32Å; G108-E111 PolarHBondContact N-OE2 3.45Å; G108-E111 PolarHBondContact O-N 3.49Å; G108-F112 WeakPolarHBondContact O-CB 3.41Å; G108-F112 PolarHBondContact O-N 3.38Å
109	F	89.6	Confident	91.3	Very high	15 Å²	15	31.6 Å²	31.6	7%	0.066	18%	0.181	C	C	.	.	H	α-helix	trans	-53.1	-46.3	-175.9	176.8	-105.7	0	0	0	113.8	F49 R50 F53 K113	F49-F109 HydrophobicContact CD1-CD2 4.48Å; F49-F109 AromaticContact CD1-CE2 3.58Å; F49-F109 HydrophobicContact CD1-CE2 3.58Å; F49-F109 AromaticContact CD1-CZ 3.96Å; F49-F109 HydrophobicContact CD1-CZ 3.96Å; F49-F109 HydrophobicContact CE1-CE2 4.01Å; R50-F109 HydrophobicContact CB-CE2 3.88Å; R50-F109 HydrophobicContact CB-CZ 4.18Å; R50-F109 HydrophobicContact CG-CE2 4.36Å; R50-F109 VanDerWaalsContact NH2-CE1 3.32Å; F53-F109 HydrophobicContact CB-CD2 3.89Å; F53-F109 HydrophobicContact CB-CE2 4.21Å; F53-F109 HydrophobicContact CD1-CB 4.25Å; F53-F109 AromaticContact CD1-CD2 3.81Å; F53-F109 HydrophobicContact CD1-CD2 3.81Å; F53-F109 HydrophobicContact CD2-CD2 4.16Å; F53-F109 HydrophobicContact CE1-CB 3.97Å; F53-F109 HydrophobicContact CE1-CD2 4.38Å; F53-F109 HydrophobicContact CE2-CB 4.26Å; F53-F109 AromaticContact CG-CD2 3.68Å; F53-F109 HydrophobicContact CG-CD2 3.68Å; F53-F109 HydrophobicContact CG-CE2 4.47Å; F53-F109 HydrophobicContact CZ-CB 3.96Å; F53-F109 VanDerWaalsContact CZ-N 3.34Å; F109-K113 HydrophobicContact CE1-CD 4.32Å; F109-K113 HydrophobicContact CZ-CD 4.37Å; F109-K113 WeakPolarHBondContact O-CB 3.32Å; F109-K113 PolarHBondContact O-N 3.13Å
110	H	89.1	Confident	91.4	Very high	34 Å²	34	35.5 Å²	35.5	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-70.6	-39	-176.7	-68.9	-67.1	0	0	0	112.6	P29 G108 K113 F114	P29-H110 HydrophobicContact CB-CB 4.48Å; G108-H110 VanDerWaalsContact C-N 3.33Å; G108-H110 PolarHBondContact O-N 3.32Å; H110-K113 PolarHBondContact O-N 3.42Å; H110-F114 WeakPolarHBondContact O-CB 3.25Å; H110-F114 PolarHBondContact O-N 2.97Å
111	E	92.5	Very high	91.6	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-45.3	178	-64.8	162.9	145.9	0	0	110.6	P29 R32 M99 S101 L107 G108 K113 F114 L115	P29-E111 HydrophobicContact CG-CG 4.43Å; R32-E111 IonicContact CZ-OE2 2.77Å; R32-E111 IonicContact NE-OE2 2.95Å; R32-E111 IonicContact NH2-OE2 2.94Å; R32-E111 PolarHBondContact NH2-OE2 3.17Å; M99-E111 WeakPolarHBondContact O-CG 3.23Å; S101-E111 WeakPolarHBondContact CB-OE1 2.85Å; S101-E111 PolarHBondContact N-OE1 2.78Å; S101-E111 PolarHBondContact OG-OE1 3.18Å; L107-E111 HydrophobicContact CB-CB 4.22Å; L107-E111 HydrophobicContact CD2-CB 4.11Å; G108-E111 PolarHBondContact N-OE2 3.45Å; G108-E111 PolarHBondContact O-N 3.49Å; E111-K113 PolarHBondContact O-N 3.08Å; E111-F114 WeakPolarHBondContact O-CB 3.41Å; E111-F114 PolarHBondContact O-N 3.39Å; E111-L115 WeakPolarHBondContact O-CB 3.38Å; E111-L115 PolarHBondContact O-N 2.91Å
112	F	93.6	Very high	92.1	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-42.7	174.5	-178.2	-107.3	0	0	0	111.7	F49 F53 L56 V63 L68 L107 G108 F114 L115 W116	F49-F112 AromaticContact CE1-CD1 3.9Å; F49-F112 HydrophobicContact CE1-CD1 3.9Å; F49-F112 HydrophobicContact CE1-CE1 4.28Å; F49-F112 HydrophobicContact CE2-CD1 4.41Å; F49-F112 HydrophobicContact CE2-CE1 4.02Å; F49-F112 AromaticContact CZ-CD1 3.43Å; F49-F112 HydrophobicContact CZ-CD1 3.43Å; F49-F112 VanDerWaalsContact CZ-CD1 3.43Å; F49-F112 AromaticContact CZ-CE1 3.46Å; F49-F112 HydrophobicContact CZ-CE1 3.46Å; F49-F112 VanDerWaalsContact CZ-CE1 3.46Å; F53-F112 HydrophobicContact CD2-CB 4.1Å; F53-F112 AromaticContact CD2-CD1 3.67Å; F53-F112 HydrophobicContact CD2-CD1 3.67Å; F53-F112 HydrophobicContact CD2-CE1 4.47Å; F53-F112 HydrophobicContact CD2-CG 4.12Å; F53-F112 HydrophobicContact CE2-CB 4.04Å; F53-F112 HydrophobicContact CE2-CD1 4.43Å; F53-F112 HydrophobicContact CE2-CG 4.45Å; L56-F112 HydrophobicContact CD2-CE1 4.11Å; L56-F112 HydrophobicContact CD2-CE2 3.83Å; L56-F112 HydrophobicContact CD2-CZ 3.51Å; V63-F112 HydrophobicContact CB-CD2 4.2Å; V63-F112 HydrophobicContact CG1-CD2 4.09Å; V63-F112 HydrophobicContact CG1-CE2 4.2Å; V63-F112 HydrophobicContact CG2-CB 4.41Å; V63-F112 HydrophobicContact CG2-CD1 4.45Å; V63-F112 HydrophobicContact CG2-CD2 4.02Å; V63-F112 HydrophobicContact CG2-CE2 4.44Å; V63-F112 HydrophobicContact CG2-CG 4.03Å; L68-F112 HydrophobicContact CD1-CD2 4.45Å; L68-F112 HydrophobicContact CD1-CE2 3.94Å; L107-F112 HydrophobicContact CB-CB 4.11Å; L107-F112 HydrophobicContact CD1-CD2 4.47Å; G108-F112 WeakPolarHBondContact O-CB 3.41Å; G108-F112 PolarHBondContact O-N 3.38Å; F112-F114 VanDerWaalsContact C-N 3.31Å; F112-F114 PolarHBondContact O-N 2.9Å; F112-L115 PolarHBondContact O-N 3.29Å; F112-W116 HydrophobicContact CE2-CE3 4.33Å; F112-W116 HydrophobicContact CZ-CD2 4.46Å; F112-W116 AromaticContact CZ-CE3 3.89Å; F112-W116 HydrophobicContact CZ-CE3 3.89Å; F112-W116 WeakPolarHBondContact O-CB 3.28Å; F112-W116 PolarHBondContact O-N 3.49Å
113	K	91	Very high	92.6	Very high	47 Å²	47	33.4 Å²	33.4	20%	0.204	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-43.9	175.5	-173	-179.4	176.8	-160.7	0	111.7	E46 F49 F109 H110 E111 W116 N117	E46-K113 IonicContact OE1-NZ 2.84Å; E46-K113 PolarHBondContact OE1-NZ 3.2Å; F49-K113 HydrophobicContact CD1-CB 4.1Å; F49-K113 HydrophobicContact CD1-CD 4.36Å; F49-K113 HydrophobicContact CD1-CG 3.93Å; F49-K113 VanDerWaalsContact CE1-CA 3.43Å; F49-K113 HydrophobicContact CE1-CB 3.46Å; F49-K113 VanDerWaalsContact CE1-CB 3.46Å; F49-K113 HydrophobicContact CE1-CG 3.72Å; F49-K113 HydrophobicContact CZ-CB 4.16Å; F49-K113 HydrophobicContact CZ-CG 4.4Å; F109-K113 HydrophobicContact CE1-CD 4.32Å; F109-K113 HydrophobicContact CZ-CD 4.37Å; F109-K113 WeakPolarHBondContact O-CB 3.32Å; F109-K113 PolarHBondContact O-N 3.13Å; H110-K113 PolarHBondContact O-N 3.42Å; E111-K113 PolarHBondContact O-N 3.08Å; K113-W116 PolarHBondContact O-N 3.25Å; K113-N117 WeakPolarHBondContact O-CB 3.46Å; K113-N117 VanDerWaalsContact O-CG 3.32Å; K113-N117 PolarHBondContact O-N 3.48Å; K113-N117 PolarHBondContact O-ND2 3.37Å
114	F	92.1	Very high	92.9	Very high	25 Å²	25	33.4 Å²	33.4	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-52.7	178.2	176.9	-105.2	0	0	0	111.5	S26 D27 P29 M99 H110 E111 F112 W116 N117 N118	S26-F114 VanDerWaalsContact CB-CZ 3.46Å; D27-F114 WeakPolarHBondContact O-CE2 3.46Å; D27-F114 WeakPolarHBondContact O-CZ 3.46Å; P29-F114 HydrophobicContact CB-CB 4.03Å; P29-F114 HydrophobicContact CB-CG 4.32Å; P29-F114 HydrophobicContact CG-CB 4.47Å; P29-F114 HydrophobicContact CG-CG 4.43Å; M99-F114 HydrophobicContact CE-CD1 3.71Å; M99-F114 HydrophobicContact CE-CE1 3.68Å; M99-F114 HydrophobicContact SD-CD1 3.81Å; M99-F114 HydrophobicContact SD-CE1 3.83Å; H110-F114 WeakPolarHBondContact O-CB 3.25Å; H110-F114 PolarHBondContact O-N 2.97Å; E111-F114 WeakPolarHBondContact O-CB 3.41Å; E111-F114 PolarHBondContact O-N 3.39Å; F112-F114 VanDerWaalsContact C-N 3.31Å; F112-F114 PolarHBondContact O-N 2.9Å; F114-W116 VanDerWaalsContact C-N 3.33Å; F114-W116 PolarHBondContact O-N 3.11Å; F114-N117 PolarHBondContact O-N 3.16Å; F114-N118 WeakPolarHBondContact CE1-ND2 3.27Å; F114-N118 WeakPolarHBondContact CZ-ND2 3.43Å; F114-N118 PolarHBondContact O-N 2.83Å; F114-N118 VanDerWaalsContact O-N 3.09Å
115	L	94.9	Very high	93.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-55.1	-48.7	175	176.7	61.2	0	0	0	111.5	L68 M99 L107 E111 F112 N117 N118 I119 V182	L68-L115 HydrophobicContact CD1-CD2 3.97Å; L68-L115 HydrophobicContact CD2-CD2 3.88Å; M99-L115 HydrophobicContact CE-CB 3.93Å; M99-L115 HydrophobicContact CE-CD1 3.53Å; M99-L115 HydrophobicContact CE-CG 4.32Å; M99-L115 HydrophobicContact CG-CB 4.32Å; M99-L115 HydrophobicContact CG-CD1 4.2Å; M99-L115 HydrophobicContact CG-CD2 4.49Å; L107-L115 HydrophobicContact CD1-CD2 3.61Å; E111-L115 WeakPolarHBondContact O-CB 3.38Å; E111-L115 PolarHBondContact O-N 2.91Å; F112-L115 PolarHBondContact O-N 3.29Å; L115-N117 PolarHBondContact O-N 3.15Å; L115-N118 PolarHBondContact O-N 3.09Å; L115-I119 HydrophobicContact CD1-CD1 3.85Å; L115-I119 HydrophobicContact CD1-CG1 4.13Å; L115-I119 HydrophobicContact CG-CD1 3.86Å; L115-I119 HydrophobicContact CG-CG1 4.47Å; L115-I119 WeakPolarHBondContact O-CG1 3.22Å; L115-I119 PolarHBondContact O-N 3.5Å; L115-V182 HydrophobicContact CD1-CG1 4.27Å; L115-V182 HydrophobicContact CD1-CG2 3.66Å
116	W	93.3	Very high	93.5	Very high	40 Å²	40	30.1 Å²	30.1	15%	0.152	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-43.2	-178.6	-170.3	-101.3	0	0	0	113	F49 L72 I75 F112 K113 F114 I119 K120	F49-W116 HydrophobicContact CE2-CB 3.89Å; F49-W116 AromaticContact CE2-CD1 3.27Å; F49-W116 HydrophobicContact CE2-CD2 4.23Å; F49-W116 AromaticContact CE2-CG 3.5Å; F49-W116 HydrophobicContact CE2-CG 3.5Å; F49-W116 AromaticContact CE2-NE1 3.88Å; F49-W116 HydrophobicContact CZ-CB 3.77Å; F49-W116 AromaticContact CZ-CG 3.91Å; F49-W116 HydrophobicContact CZ-CG 3.91Å; L72-W116 HydrophobicContact CD2-CZ3 3.8Å; I75-W116 HydrophobicContact CD1-CH2 3.22Å; I75-W116 HydrophobicContact CD1-CZ2 3.74Å; I75-W116 HydrophobicContact CD1-CZ3 4.21Å; F112-W116 HydrophobicContact CE2-CE3 4.33Å; F112-W116 HydrophobicContact CZ-CD2 4.46Å; F112-W116 AromaticContact CZ-CE3 3.89Å; F112-W116 HydrophobicContact CZ-CE3 3.89Å; F112-W116 WeakPolarHBondContact O-CB 3.28Å; F112-W116 PolarHBondContact O-N 3.49Å; K113-W116 PolarHBondContact O-N 3.25Å; F114-W116 VanDerWaalsContact C-N 3.33Å; F114-W116 PolarHBondContact O-N 3.11Å; W116-I119 PolarHBondContact O-N 3.14Å; W116-K120 WeakPolarHBondContact O-CG 3.46Å; W116-K120 PolarHBondContact O-N 3.36Å
117	N	92.3	Very high	93.5	Very high	64 Å²	64	30.2 Å²	30.2	34%	0.342	15%	0.149	S	C	.	.	H	α-helix	trans	-67.1	-39.3	178.8	-76.3	-21.2	0	0	0	112.3	K113 F114 L115 K120 K121	K113-N117 WeakPolarHBondContact O-CB 3.46Å; K113-N117 VanDerWaalsContact O-CG 3.32Å; K113-N117 PolarHBondContact O-N 3.48Å; K113-N117 PolarHBondContact O-ND2 3.37Å; F114-N117 PolarHBondContact O-N 3.16Å; L115-N117 PolarHBondContact O-N 3.15Å; N117-K120 PolarHBondContact O-N 2.98Å; N117-K120 WeakPolarHBondContact OD1-CE 3.48Å; N117-K120 PolarHBondContact OD1-NZ 2.84Å; N117-K121 PolarHBondContact O-N 3.28Å
118	N	94.4	Very high	93.5	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.053	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-44.4	173.9	-75	-21.9	0	0	0	111.5	S26 F114 L115 K120 K121 W122	S26-N118 WeakPolarHBondContact CB-OD1 3.34Å; S26-N118 PolarHBondContact OG-OD1 2.72Å; F114-N118 WeakPolarHBondContact CE1-ND2 3.27Å; F114-N118 WeakPolarHBondContact CZ-ND2 3.43Å; F114-N118 PolarHBondContact O-N 2.83Å; F114-N118 VanDerWaalsContact O-N 3.09Å; L115-N118 PolarHBondContact O-N 3.09Å; N118-K120 VanDerWaalsContact C-N 3.34Å; N118-K120 PolarHBondContact O-N 2.87Å; N118-K121 WeakPolarHBondContact O-CB 3.44Å; N118-K121 PolarHBondContact O-N 3.03Å; N118-K121 VanDerWaalsContact O-N 3.16Å; N118-W122 HydrophobicContact CB-CD2 4.29Å; N118-W122 HydrophobicContact CB-CE3 4.03Å; N118-W122 HydrophobicContact CB-CH2 3.74Å; N118-W122 HydrophobicContact CB-CZ2 4Å; N118-W122 HydrophobicContact CB-CZ3 3.73Å; N118-W122 WeakPolarHBondContact O-CB 3.3Å; N118-W122 VanDerWaalsContact O-CD2 3.28Å; N118-W122 VanDerWaalsContact O-CG 3.27Å; N118-W122 PolarHBondContact O-N 3.09Å
119	I	94.7	Very high	93.6	Very high	7 Å²	7	36 Å²	36	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-57.7	-46.3	176	-68.6	174.5	0	0	0	110.9	L72 L115 W116 K121 W122 Q123 I178	L72-I119 HydrophobicContact CD1-CD1 4.47Å; L72-I119 HydrophobicContact CD2-CD1 3.81Å; L72-I119 HydrophobicContact CD2-CG2 4.46Å; L115-I119 HydrophobicContact CD1-CD1 3.85Å; L115-I119 HydrophobicContact CD1-CG1 4.13Å; L115-I119 HydrophobicContact CG-CD1 3.86Å; L115-I119 HydrophobicContact CG-CG1 4.47Å; L115-I119 WeakPolarHBondContact O-CG1 3.22Å; L115-I119 PolarHBondContact O-N 3.5Å; W116-I119 PolarHBondContact O-N 3.14Å; I119-K121 PolarHBondContact O-N 3.34Å; I119-W122 PolarHBondContact O-N 3.39Å; I119-Q123 VanDerWaalsContact O-CB 3.25Å; I119-Q123 WeakPolarHBondContact O-CB 3.41Å; I119-Q123 PolarHBondContact O-N 2.86Å; I119-I178 HydrophobicContact CD1-CG2 4.19Å; I119-I178 HydrophobicContact CG1-CG2 3.82Å; I119-I178 HydrophobicContact CG2-CD1 4.31Å
120	K	92.9	Very high	93.8	Very high	90 Å²	90	36 Å²	36	39%	0.391	19%	0.187	S	C	.	.	H	α-helix	trans	-60.2	-44.8	175.7	-73.8	-174.4	-62	176.8	0	112.4	W116 N117 N118 Q123 C124	W116-K120 WeakPolarHBondContact O-CG 3.46Å; W116-K120 PolarHBondContact O-N 3.36Å; N117-K120 PolarHBondContact O-N 2.98Å; N117-K120 WeakPolarHBondContact OD1-CE 3.48Å; N117-K120 PolarHBondContact OD1-NZ 2.84Å; N118-K120 VanDerWaalsContact C-N 3.34Å; N118-K120 PolarHBondContact O-N 2.87Å; K120-Q123 PolarHBondContact O-N 2.86Å; K120-C124 PolarHBondContact O-N 2.96Å; K120-C124 VanDerWaalsContact O-N 3.11Å; K120-C124 PolarHBondContact O-SG 2.87Å; K120-C124 VanDerWaalsContact O-SG 3.38Å
121	K	95.4	Very high	93.9	Very high	94 Å²	94	38.5 Å²	38.5	41%	0.409	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-50.3	178.2	176.9	-173	172.5	-170.1	0	110.6	N117 N118 I119 Q123 C124 I125	N117-K121 PolarHBondContact O-N 3.28Å; N118-K121 WeakPolarHBondContact O-CB 3.44Å; N118-K121 PolarHBondContact O-N 3.03Å; N118-K121 VanDerWaalsContact O-N 3.16Å; I119-K121 PolarHBondContact O-N 3.34Å; K121-Q123 VanDerWaalsContact C-N 3.33Å; K121-Q123 PolarHBondContact O-N 3.08Å; K121-C124 WeakPolarHBondContact O-CB 3.31Å; K121-C124 PolarHBondContact O-N 3.26Å; K121-I125 HydrophobicContact CG-CD1 4.18Å; K121-I125 WeakPolarHBondContact O-CG1 3.26Å; K121-I125 PolarHBondContact O-N 3.35Å; K121-I125 VanDerWaalsContact O-N 3.16Å
122	W	96.6	Very high	93.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.9	-32.4	-179	-62.1	-35.2	0	0	0	112.4	N118 I119 C124 I125 Y126 F151 F177 I178 L181 V182 D185	N118-W122 HydrophobicContact CB-CD2 4.29Å; N118-W122 HydrophobicContact CB-CE3 4.03Å; N118-W122 HydrophobicContact CB-CH2 3.74Å; N118-W122 HydrophobicContact CB-CZ2 4Å; N118-W122 HydrophobicContact CB-CZ3 3.73Å; N118-W122 WeakPolarHBondContact O-CB 3.3Å; N118-W122 VanDerWaalsContact O-CD2 3.28Å; N118-W122 VanDerWaalsContact O-CG 3.27Å; N118-W122 PolarHBondContact O-N 3.09Å; I119-W122 PolarHBondContact O-N 3.39Å; W122-C124 PolarHBondContact O-N 2.93Å; W122-I125 PolarHBondContact O-N 3.49Å; W122-Y126 WeakPolarHBondContact O-CB 3.32Å; W122-Y126 PolarHBondContact O-N 3.3Å; W122-F151 HydrophobicContact CZ2-CE2 4.4Å; W122-F177 HydrophobicContact CB-CE1 3.98Å; W122-I178 HydrophobicContact CB-CD1 3.83Å; W122-I178 HydrophobicContact CE3-CD1 4.35Å; W122-L181 HydrophobicContact CB-CD1 3.87Å; W122-L181 HydrophobicContact CD2-CB 3.85Å; W122-L181 HydrophobicContact CD2-CD1 3.76Å; W122-L181 HydrophobicContact CD2-CG 4.47Å; W122-L181 HydrophobicContact CE3-CB 3.79Å; W122-L181 HydrophobicContact CE3-CD1 4.37Å; W122-L181 HydrophobicContact CG-CB 4.49Å; W122-L181 HydrophobicContact CG-CD1 3.52Å; W122-L181 HydrophobicContact CH2-CB 4.02Å; W122-L181 WeakPolarHBondContact CH2-O 3.22Å; W122-L181 HydrophobicContact CZ2-CB 4.08Å; W122-L181 HydrophobicContact CZ3-CB 3.89Å; W122-V182 HydrophobicContact CH2-CG2 4.41Å; W122-V182 HydrophobicContact CZ3-CB 4.38Å; W122-V182 HydrophobicContact CZ3-CG2 3.63Å; W122-D185 HydrophobicContact CH2-CB 3.91Å; W122-D185 HydrophobicContact CZ2-CB 4.01Å
123	Q	94.6	Very high	93.8	Very high	30 Å²	30	53.7 Å²	53.7	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-47	170.2	-177.3	-176.3	14	0	0	111.8	L82 I119 K120 K121 I125 Y126 I127 F174	L82-Q123 HydrophobicContact CD1-CG 4.43Å; I119-Q123 VanDerWaalsContact O-CB 3.25Å; I119-Q123 WeakPolarHBondContact O-CB 3.41Å; I119-Q123 PolarHBondContact O-N 2.86Å; K120-Q123 PolarHBondContact O-N 2.86Å; K121-Q123 VanDerWaalsContact C-N 3.33Å; K121-Q123 PolarHBondContact O-N 3.08Å; Q123-I125 VanDerWaalsContact C-N 3.26Å; Q123-I125 PolarHBondContact O-N 2.56Å; Q123-Y126 WeakPolarHBondContact O-CB 3.4Å; Q123-Y126 PolarHBondContact O-N 3.43Å; Q123-I127 HydrophobicContact CG-CD1 3.79Å; Q123-I127 VanDerWaalsContact O-CD1 3.28Å; Q123-I127 WeakPolarHBondContact O-CD1 3.08Å; Q123-I127 WeakPolarHBondContact O-CG1 3.42Å; Q123-I127 PolarHBondContact O-N 2.8Å; Q123-I127 VanDerWaalsContact O-N 3.08Å; Q123-F174 HydrophobicContact CB-CE2 3.99Å; Q123-F174 HydrophobicContact CB-CZ 3.96Å; Q123-F174 HydrophobicContact CG-CE2 3.95Å; Q123-F174 HydrophobicContact CG-CZ 3.95Å
124	C	94.7	Very high	93.8	Very high	86 Å²	86	52.9 Å²	52.9	58%	0.581	28%	0.278	S	S	*	.	H	α-helix	trans	-60.2	-38.5	176.2	-68.3	0	0	0	0	112.2	K120 K121 W122 S128	K120-C124 PolarHBondContact O-N 2.96Å; K120-C124 VanDerWaalsContact O-N 3.11Å; K120-C124 PolarHBondContact O-SG 2.87Å; K120-C124 VanDerWaalsContact O-SG 3.38Å; K121-C124 WeakPolarHBondContact O-CB 3.31Å; K121-C124 PolarHBondContact O-N 3.26Å; W122-C124 PolarHBondContact O-N 2.93Å; C124-S128 WeakPolarHBondContact O-CB 3.41Å; C124-S128 PolarHBondContact O-N 2.69Å; C124-S128 VanDerWaalsContact O-N 3.09Å; C124-S128 PolarHBondContact O-OG 2.86Å
125	I	96.4	Very high	93.9	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.097	28%	0.275	C	S	.	.	H	α-helix	trans	-67.9	-43.4	177.5	-68.5	165.9	0	0	0	111.1	K121 W122 Q123 I127 S128 N129 T145 A148 A149	K121-I125 HydrophobicContact CG-CD1 4.18Å; K121-I125 WeakPolarHBondContact O-CG1 3.26Å; K121-I125 PolarHBondContact O-N 3.35Å; K121-I125 VanDerWaalsContact O-N 3.16Å; W122-I125 PolarHBondContact O-N 3.49Å; Q123-I125 VanDerWaalsContact C-N 3.26Å; Q123-I125 PolarHBondContact O-N 2.56Å; I125-I127 PolarHBondContact O-N 3.05Å; I125-S128 PolarHBondContact O-N 2.98Å; I125-S128 PolarHBondContact O-OG 3.2Å; I125-S128 VanDerWaalsContact O-OG 3.09Å; I125-N129 WeakPolarHBondContact O-CB 3.05Å; I125-N129 PolarHBondContact O-N 2.81Å; I125-N129 PolarHBondContact O-ND2 2.8Å; I125-T145 HydrophobicContact CG2-CG2 3.84Å; I125-A148 WeakPolarHBondContact CD1-O 3.12Å; I125-A148 HydrophobicContact CG2-CB 3.95Å; I125-A149 HydrophobicContact CD1-CB 4.28Å
126	Y	95.2	Very high	93.9	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-55.5	-53.1	176.8	-168.6	-87.8	0	0	0	110.7	L82 W122 Q123 S128 N129 D130 G135 L136 I137 M172 D173 F174 F177	L82-Y126 HydrophobicContact CD2-CD1 3.75Å; L82-Y126 HydrophobicContact CD2-CE1 3.99Å; W122-Y126 WeakPolarHBondContact O-CB 3.32Å; W122-Y126 PolarHBondContact O-N 3.3Å; Q123-Y126 WeakPolarHBondContact O-CB 3.4Å; Q123-Y126 PolarHBondContact O-N 3.43Å; Y126-S128 VanDerWaalsContact C-N 3.31Å; Y126-S128 PolarHBondContact O-N 3.06Å; Y126-N129 PolarHBondContact O-N 3.4Å; Y126-D130 WeakPolarHBondContact O-CB 3.29Å; Y126-D130 PolarHBondContact O-N 3.02Å; Y126-G135 PolarHBondContact OH-O 3.36Å; Y126-L136 VanDerWaalsContact OH-CA 3.26Å; Y126-L136 WeakPolarHBondContact OH-CA 3.45Å; Y126-I137 HydrophobicContact CD2-CD1 4.24Å; Y126-I137 HydrophobicContact CD2-CG1 3.44Å; Y126-I137 VanDerWaalsContact CD2-CG1 3.44Å; Y126-I137 HydrophobicContact CE1-CG1 4.39Å; Y126-I137 HydrophobicContact CE2-CB 4.17Å; Y126-I137 HydrophobicContact CE2-CD1 4.42Å; Y126-I137 HydrophobicContact CE2-CG1 3.32Å; Y126-I137 HydrophobicContact CG-CD1 4.43Å; Y126-I137 HydrophobicContact CG-CG1 4.08Å; Y126-M172 PolarHBondContact OH-O 2.89Å; Y126-D173 VanDerWaalsContact OH-C 3.3Å; Y126-D173 WeakPolarHBondContact OH-CA 3.37Å; Y126-F174 AromaticContact CD1-CD2 3.99Å; Y126-F174 HydrophobicContact CD1-CD2 3.99Å; Y126-F174 HydrophobicContact CD2-CD2 4.16Å; Y126-F174 HydrophobicContact CE1-CB 4.43Å; Y126-F174 HydrophobicContact CE1-CD2 4.22Å; Y126-F174 HydrophobicContact CE2-CD2 4.35Å; Y126-F174 AromaticContact CG-CD2 3.95Å; Y126-F174 HydrophobicContact CG-CD2 3.95Å; Y126-F174 HydrophobicContact CG-CE2 4.43Å; Y126-F174 PolarHBondContact OH-N 2.89Å; Y126-F177 HydrophobicContact CD2-CB 3.95Å; Y126-F177 AromaticContact CD2-CD1 3.37Å; Y126-F177 HydrophobicContact CD2-CD1 3.37Å; Y126-F177 HydrophobicContact CD2-CD2 4.06Å; Y126-F177 AromaticContact CD2-CE1 3.73Å; Y126-F177 HydrophobicContact CD2-CE1 3.73Å; Y126-F177 HydrophobicContact CD2-CE2 4.38Å; Y126-F177 AromaticContact CD2-CG 3.53Å; Y126-F177 HydrophobicContact CD2-CG 3.53Å; Y126-F177 HydrophobicContact CD2-CZ 4.21Å; Y126-F177 HydrophobicContact CE2-CB 3.73Å; Y126-F177 HydrophobicContact CE2-CD1 4.07Å; Y126-F177 HydrophobicContact CE2-CD2 4.38Å; Y126-F177 AromaticContact CE2-CG 3.82Å; Y126-F177 HydrophobicContact CE2-CG 3.82Å; Y126-F177 HydrophobicContact CG-CD1 4.26Å; Y126-F177 HydrophobicContact CG-CE1 4.33Å
127	I	93.4	Very high	94.1	Very high	65 Å²	65	51.2 Å²	51.2	33%	0.333	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-34.3	-178	-62.1	153.9	0	0	0	112.1	L82 Q123 I125	L82-I127 HydrophobicContact CD2-CD1 4.45Å; L82-I127 HydrophobicContact CD2-CG1 3.91Å; Q123-I127 HydrophobicContact CG-CD1 3.79Å; Q123-I127 VanDerWaalsContact O-CD1 3.28Å; Q123-I127 WeakPolarHBondContact O-CD1 3.08Å; Q123-I127 WeakPolarHBondContact O-CG1 3.42Å; Q123-I127 PolarHBondContact O-N 2.8Å; Q123-I127 VanDerWaalsContact O-N 3.08Å; I125-I127 PolarHBondContact O-N 3.05Å
128	S	94.4	Very high	94.2	Very high	88 Å²	88	49 Å²	49	62%	0.615	26%	0.264	S	S	*	.	H	α-helix	trans	-78.9	-20.3	-179	68.4	0	0	0	0	113.8	C124 I125 Y126	C124-S128 WeakPolarHBondContact O-CB 3.41Å; C124-S128 PolarHBondContact O-N 2.69Å; C124-S128 VanDerWaalsContact O-N 3.09Å; C124-S128 PolarHBondContact O-OG 2.86Å; I125-S128 PolarHBondContact O-N 2.98Å; I125-S128 PolarHBondContact O-OG 3.2Å; I125-S128 VanDerWaalsContact O-OG 3.09Å; Y126-S128 VanDerWaalsContact C-N 3.31Å; Y126-S128 PolarHBondContact O-N 3.06Å
129	N	94.1	Very high	93.9	Very high	36 Å²	36	51.1 Å²	51.1	19%	0.193	28%	0.279	C	S	.	.	H	α-helix	trans	-104.1	-10.7	-179.3	-71.5	-98.9	0	0	0	113.7	I125 Y126 A131 I137 E141 T145	I125-N129 WeakPolarHBondContact O-CB 3.05Å; I125-N129 PolarHBondContact O-N 2.81Å; I125-N129 PolarHBondContact O-ND2 2.8Å; Y126-N129 PolarHBondContact O-N 3.4Å; N129-A131 PolarHBondContact O-N 3.07Å; N129-I137 HydrophobicContact CB-CD1 4.34Å; N129-E141 WeakPolarHBondContact O-CG 3.48Å; N129-T145 HydrophobicContact CB-CG2 4.3Å; N129-T145 VanDerWaalsContact CB-OG1 3.23Å; N129-T145 WeakPolarHBondContact CB-OG1 3.17Å
130	D	93.5	Very high	93.7	Very high	16 Å²	16	59.4 Å²	59.4	9%	0.086	32%	0.318	C	S	.	.			trans	-70.6	81.1	164.5	176.8	15.1	0	0	0	109.5	Y126 R133 S134 G135 I137	Y126-D130 WeakPolarHBondContact O-CB 3.29Å; Y126-D130 PolarHBondContact O-N 3.02Å; D130-R133 PolarHBondContact O-N 2.82Å; D130-R133 WeakPolarHBondContact OD1-CA 3.24Å; D130-R133 PolarHBondContact OD1-N 3.4Å; D130-R133 WeakPolarHBondContact OD2-CA 3.39Å; D130-S134 PolarHBondContact OD1-N 3.04Å; D130-S134 PolarHBondContact OD1-OG 3.41Å; D130-S134 PolarHBondContact OD2-N 3.39Å; D130-G135 WeakPolarHBondContact OD2-CA 3.18Å; D130-G135 PolarHBondContact OD2-N 3.47Å; D130-I137 HydrophobicContact CB-CD1 4.18Å
131	A	91.3	Very high	93.7	Very high	85 Å²	85	56.2 Å²	56.2	70%	0.702	30%	0.304	S	S	*	.	S	Bend	trans	-74.8	-33.5	-170.2	0	0	0	0	0	111.6	N129 R133 E141	N129-A131 PolarHBondContact O-N 3.07Å; A131-R133 VanDerWaalsContact C-N 3.3Å; A131-E141 PolarHBondContact N-OE1 3.4Å
132	D	91.8	Very high	93.5	Very high	105 Å²	105	51.8 Å²	51.8	56%	0.561	29%	0.286	S	S	*	.	S	Bend	trans	-83.9	-6.7	176.7	76.7	-5.7	0	0	0	113.4	S134	D132-S134 PolarHBondContact O-N 3.39Å; D132-S134 WeakPolarHBondContact OD1-CB 3.28Å; D132-S134 PolarHBondContact OD1-N 3.26Å; D132-S134 PolarHBondContact OD1-OG 3.39Å
133	R	91.8	Very high	93.3	Very high	220 Å²	220	54.5 Å²	54.5	83%	0.83	30%	0.303	S	S	*	.			trans	58.4	32.8	-178.5	-55.5	-177.3	-178.6	-179.3	0.3	112.1	D130 A131 G135	D130-R133 PolarHBondContact O-N 2.82Å; D130-R133 WeakPolarHBondContact OD1-CA 3.24Å; D130-R133 PolarHBondContact OD1-N 3.4Å; D130-R133 WeakPolarHBondContact OD2-CA 3.39Å; A131-R133 VanDerWaalsContact C-N 3.3Å; R133-G135 PolarHBondContact O-N 3.39Å
134	S	92.7	Very high	93.2	Very high	29 Å²	29	55.6 Å²	55.6	20%	0.203	32%	0.317	C	S	.	.	S	Bend	trans	-69.8	-15.6	176.1	63.5	0	0	0	0	112.2	K83 D130 D132 L136	K83-S134 WeakPolarHBondContact CD-O 3.25Å; K83-S134 WeakPolarHBondContact CE-O 3.35Å; K83-S134 PolarHBondContact NZ-O 2.87Å; D130-S134 PolarHBondContact OD1-N 3.04Å; D130-S134 PolarHBondContact OD1-OG 3.41Å; D130-S134 PolarHBondContact OD2-N 3.39Å; D132-S134 PolarHBondContact O-N 3.39Å; D132-S134 WeakPolarHBondContact OD1-CB 3.28Å; D132-S134 PolarHBondContact OD1-N 3.26Å; D132-S134 PolarHBondContact OD1-OG 3.39Å; S134-L136 PolarHBondContact OG-N 2.92Å; S134-L136 PolarHBondContact OG-O 3.25Å
135	G	93.4	Very high	93.2	Very high	5 Å²	5	51.5 Å²	51.5	5%	0.052	29%	0.29	C	S	.	.	S	Bend	trans	75.9	11.1	-169.7	0	0	0	0	0	112.8	K83 Y126 D130 R133	K83-G135 WeakPolarHBondContact CB-O 3.2Å; K83-G135 PolarHBondContact N-O 3.41Å; Y126-G135 PolarHBondContact OH-O 3.36Å; D130-G135 WeakPolarHBondContact OD2-CA 3.18Å; D130-G135 PolarHBondContact OD2-N 3.47Å; R133-G135 PolarHBondContact O-N 3.39Å
136	L	95.6	Very high	93.1	Very high	25 Å²	25	50.6 Å²	50.6	13%	0.131	29%	0.285	C	S	.	.	S	Bend	trans	-127.3	160.1	179.3	-61.3	170.4	0	0	0	109.5	K83 Y126 S134 N171 D173	K83-L136 HydrophobicContact CB-CD2 3.67Å; K83-L136 HydrophobicContact CB-CG 4.21Å; K83-L136 HydrophobicContact CD-CD1 4.17Å; K83-L136 HydrophobicContact CD-CD2 4.19Å; K83-L136 HydrophobicContact CD-CG 3.94Å; Y126-L136 VanDerWaalsContact OH-CA 3.26Å; Y126-L136 WeakPolarHBondContact OH-CA 3.45Å; S134-L136 PolarHBondContact OG-N 2.92Å; S134-L136 PolarHBondContact OG-O 3.25Å; L136-N171 HydrophobicContact CB-CB 4.11Å; L136-N171 HydrophobicContact CD1-CB 3.89Å; L136-N171 HydrophobicContact CG-CB 4.49Å; L136-D173 HydrophobicContact CD2-CB 3.67Å
137	I	96.6	Very high	93	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.3	167.1	-64.4	-65.6	0	0	0	108.6	Y126 N129 D130 E141 L142 T145 N171 M172	Y126-I137 HydrophobicContact CD2-CD1 4.24Å; Y126-I137 HydrophobicContact CD2-CG1 3.44Å; Y126-I137 VanDerWaalsContact CD2-CG1 3.44Å; Y126-I137 HydrophobicContact CE1-CG1 4.39Å; Y126-I137 HydrophobicContact CE2-CB 4.17Å; Y126-I137 HydrophobicContact CE2-CD1 4.42Å; Y126-I137 HydrophobicContact CE2-CG1 3.32Å; Y126-I137 HydrophobicContact CG-CD1 4.43Å; Y126-I137 HydrophobicContact CG-CG1 4.08Å; N129-I137 HydrophobicContact CB-CD1 4.34Å; D130-I137 HydrophobicContact CB-CD1 4.18Å; I137-E141 HydrophobicContact CG2-CB 4Å; I137-L142 HydrophobicContact CG2-CB 4.22Å; I137-L142 HydrophobicContact CG2-CD1 3.7Å; I137-T145 HydrophobicContact CD1-CG2 4.39Å; I137-N171 WeakPolarHBondContact O-CA 3.31Å; I137-M172 PolarHBondContact N-O 3.25Å; I137-M172 PolarHBondContact O-N 2.87Å
138	S	93.9	Very high	93	Very high	19 Å²	19	57.3 Å²	57.3	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	162.7	176.6	68.6	0	0	0	0	111.9	Q140 E141 L142	S138-Q140 PolarHBondContact O-N 3.01Å; S138-Q140 PolarHBondContact OG-N 3.41Å; S138-E141 WeakPolarHBondContact CB-OE2 3.48Å; S138-E141 PolarHBondContact N-OE2 3.09Å; S138-E141 PolarHBondContact O-N 3.43Å; S138-E141 WeakPolarHBondContact OG-CG 3.24Å; S138-E141 PolarHBondContact OG-N 3.47Å; S138-E141 PolarHBondContact OG-OE2 3.43Å; S138-L142 PolarHBondContact O-N 3.39Å
139	S	88.6	Confident	92.9	Very high	53 Å²	53	53.1 Å²	53.1	37%	0.371	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21	173.3	-67.9	0	0	0	0	113.9	G170	S139-G170 PolarHBondContact N-O 3.21Å; S139-G170 WeakPolarHBondContact OG-CA 3.3Å; S139-G170 PolarHBondContact OG-O 2.79Å
140	Q	90.1	Very high	92.8	Very high	181 Å²	181	52.1 Å²	52.1	85%	0.846	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-32.7	177	-63.3	176.9	14	0	0	112.2	S138	S138-Q140 PolarHBondContact O-N 3.01Å; S138-Q140 PolarHBondContact OG-N 3.41Å
141	E	94	Very high	92.7	Very high	23 Å²	23	51.4 Å²	51.4	11%	0.107	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-25.4	178.8	-68.2	158.6	144.8	0	0	112.2	N129 A131 I137 S138 A144 T145	N129-E141 WeakPolarHBondContact O-CG 3.48Å; A131-E141 PolarHBondContact N-OE1 3.4Å; I137-E141 HydrophobicContact CG2-CB 4Å; S138-E141 WeakPolarHBondContact CB-OE2 3.48Å; S138-E141 PolarHBondContact N-OE2 3.09Å; S138-E141 PolarHBondContact O-N 3.43Å; S138-E141 WeakPolarHBondContact OG-CG 3.24Å; S138-E141 PolarHBondContact OG-N 3.47Å; S138-E141 PolarHBondContact OG-OE2 3.43Å; E141-A144 PolarHBondContact O-N 2.82Å; E141-T145 WeakPolarHBondContact O-CB 3.41Å; E141-T145 PolarHBondContact O-N 3.41Å; E141-T145 PolarHBondContact O-OG1 3.16Å
142	L	90.9	Very high	92.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-52.9	-45.2	-175.2	-159.4	73.7	0	0	0	113.8	I137 S138 A144 T145 F146 F158 V162 M172	I137-L142 HydrophobicContact CG2-CB 4.22Å; I137-L142 HydrophobicContact CG2-CD1 3.7Å; S138-L142 PolarHBondContact O-N 3.39Å; L142-A144 PolarHBondContact O-N 3.22Å; L142-T145 PolarHBondContact O-N 2.96Å; L142-F146 HydrophobicContact CD1-CD2 3.79Å; L142-F146 HydrophobicContact CD1-CE2 3.39Å; L142-F146 HydrophobicContact CD1-CZ 4.38Å; L142-F146 HydrophobicContact CG-CD2 3.86Å; L142-F146 HydrophobicContact CG-CE2 3.85Å; L142-F146 WeakPolarHBondContact O-CD2 3.46Å; L142-F146 PolarHBondContact O-N 3.4Å; L142-F158 HydrophobicContact CD2-CD1 4.09Å; L142-F158 HydrophobicContact CG-CD1 4.39Å; L142-F158 HydrophobicContact CG-CE1 4.47Å; L142-V162 HydrophobicContact CD2-CG2 3.46Å; L142-V162 VanDerWaalsContact CD2-CG2 3.46Å; L142-M172 HydrophobicContact CD1-CE 3.82Å; L142-M172 HydrophobicContact CD1-SD 4.06Å; L142-M172 HydrophobicContact CD2-CE 4.26Å
143	P	92	Very high	92.2	Very high	56 Å²	56	45.1 Å²	45.1	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-42.6	-178.9	-23	35.7	0	0	0	113.5	T145 K147 F158	P143-T145 VanDerWaalsContact C-N 3.35Å; P143-K147 VanDerWaalsContact O-CB 3.31Å; P143-K147 WeakPolarHBondContact O-CB 3.35Å; P143-K147 PolarHBondContact O-N 3.38Å; P143-K147 VanDerWaalsContact O-N 3.08Å; P143-F158 HydrophobicContact CB-CE2 4.04Å; P143-F158 HydrophobicContact CB-CZ 3.97Å; P143-F158 HydrophobicContact CG-CE2 4.47Å; P143-F158 HydrophobicContact CG-CZ 4.5Å
144	A	93.1	Very high	92	Very high	54 Å²	54	36.4 Å²	36.4	45%	0.446	21%	0.214	S	C	.	.	H	α-helix	trans	-65.6	-41.5	176.4	0	0	0	0	0	111.1	E141 L142 K147 A148	E141-A144 PolarHBondContact O-N 2.82Å; L142-A144 PolarHBondContact O-N 3.22Å; A144-K147 PolarHBondContact O-N 2.98Å; A144-A148 WeakPolarHBondContact O-CB 3.4Å; A144-A148 PolarHBondContact O-N 2.78Å
145	T	94.6	Very high	91.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-49.3	179.4	-53.7	0	0	0	0	111.8	I125 N129 I137 E141 L142 P143 A148 A149 F177	I125-T145 HydrophobicContact CG2-CG2 3.84Å; N129-T145 HydrophobicContact CB-CG2 4.3Å; N129-T145 VanDerWaalsContact CB-OG1 3.23Å; N129-T145 WeakPolarHBondContact CB-OG1 3.17Å; I137-T145 HydrophobicContact CD1-CG2 4.39Å; E141-T145 WeakPolarHBondContact O-CB 3.41Å; E141-T145 PolarHBondContact O-N 3.41Å; E141-T145 PolarHBondContact O-OG1 3.16Å; L142-T145 PolarHBondContact O-N 2.96Å; P143-T145 VanDerWaalsContact C-N 3.35Å; T145-A148 PolarHBondContact O-N 3.13Å; T145-A149 PolarHBondContact O-N 2.86Å; T145-F177 HydrophobicContact CG2-CE2 3.48Å; T145-F177 VanDerWaalsContact CG2-CE2 3.48Å; T145-F177 HydrophobicContact CG2-CZ 3.63Å
146	F	93.7	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.4	-37	179.9	-88.4	-116	0	0	0	112.1	L142 A148 A149 G150 F151 L153 F158 F177 L181 L184	L142-F146 HydrophobicContact CD1-CD2 3.79Å; L142-F146 HydrophobicContact CD1-CE2 3.39Å; L142-F146 HydrophobicContact CD1-CZ 4.38Å; L142-F146 HydrophobicContact CG-CD2 3.86Å; L142-F146 HydrophobicContact CG-CE2 3.85Å; L142-F146 WeakPolarHBondContact O-CD2 3.46Å; L142-F146 PolarHBondContact O-N 3.4Å; F146-A148 PolarHBondContact O-N 3.37Å; F146-A149 WeakPolarHBondContact O-CB 3.43Å; F146-A149 PolarHBondContact O-N 2.97Å; F146-G150 PolarHBondContact O-N 3.47Å; F146-F151 CarbonylContact C-O 3.55Å; F146-F151 HydrophobicContact CD1-CB 4.49Å; F146-F151 CarbonylContact O-C 3.52Å; F146-F151 PolarHBondContact O-N 2.96Å; F146-L153 HydrophobicContact CD1-CD1 3.62Å; F146-L153 HydrophobicContact CD1-CG 4.25Å; F146-L153 HydrophobicContact CE1-CD1 3.98Å; F146-F158 HydrophobicContact CB-CE1 3.76Å; F146-F158 HydrophobicContact CB-CZ 4.01Å; F146-F158 HydrophobicContact CD1-CE1 4.33Å; F146-F158 HydrophobicContact CD2-CE1 4.42Å; F146-F158 AromaticContact CG-CE1 3.92Å; F146-F158 HydrophobicContact CG-CE1 3.92Å; F146-F177 HydrophobicContact CD2-CE2 4.36Å; F146-F177 HydrophobicContact CE2-CD2 4.11Å; F146-F177 AromaticContact CE2-CE2 3.92Å; F146-F177 HydrophobicContact CE2-CE2 3.92Å; F146-L181 HydrophobicContact CD1-CD2 4.08Å; F146-L181 HydrophobicContact CE1-CD2 3.81Å; F146-L181 HydrophobicContact CZ-CD2 4.08Å; F146-L184 HydrophobicContact CD1-CD2 4.01Å; F146-L184 HydrophobicContact CE1-CD2 3.9Å
147	K	92.9	Very high	91.3	Very high	152 Å²	152	46.1 Å²	46.1	66%	0.661	26%	0.259	S	S	*	.	H	α-helix	trans	-60.9	-44.5	171.8	-174	177.6	-178.4	178.2	0	111.5	P143 A144 A149 G150	P143-K147 VanDerWaalsContact O-CB 3.31Å; P143-K147 WeakPolarHBondContact O-CB 3.35Å; P143-K147 PolarHBondContact O-N 3.38Å; P143-K147 VanDerWaalsContact O-N 3.08Å; A144-K147 PolarHBondContact O-N 2.98Å; K147-A149 VanDerWaalsContact C-N 3.26Å; K147-A149 PolarHBondContact O-N 3.3Å; K147-G150 PolarHBondContact O-N 2.88Å; K147-G150 VanDerWaalsContact O-N 3.09Å
148	A	93.5	Very high	91	Very high	54 Å²	54	47.2 Å²	47.2	45%	0.446	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-30.1	175.6	0	0	0	0	0	112.7	I125 A144 T145 F146 G150	I125-A148 WeakPolarHBondContact CD1-O 3.12Å; I125-A148 HydrophobicContact CG2-CB 3.95Å; A144-A148 WeakPolarHBondContact O-CB 3.4Å; A144-A148 PolarHBondContact O-N 2.78Å; T145-A148 PolarHBondContact O-N 3.13Å; F146-A148 PolarHBondContact O-N 3.37Å; A148-G150 PolarHBondContact O-N 3.35Å
149	A	93.4	Very high	90.8	Very high	1 Å²	1	53 Å²	53	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-72.6	-13.9	173.6	0	0	0	0	0	114	I125 T145 F146 K147 F151 L181	I125-A149 HydrophobicContact CD1-CB 4.28Å; T145-A149 PolarHBondContact O-N 2.86Å; F146-A149 WeakPolarHBondContact O-CB 3.43Å; F146-A149 PolarHBondContact O-N 2.97Å; K147-A149 VanDerWaalsContact C-N 3.26Å; K147-A149 PolarHBondContact O-N 3.3Å; A149-F151 HydrophobicContact CB-CD2 3.99Å; A149-F151 HydrophobicContact CB-CE2 4.4Å; A149-L181 HydrophobicContact CB-CD1 4.07Å; A149-L181 HydrophobicContact CB-CD2 4.15Å
150	G	91.7	Very high	91	Very high	14 Å²	14	55.8 Å²	55.8	14%	0.144	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	103	11.6	-179.1	0	0	0	0	0	114.4	V24 F146 K147 A148 P152	V24-G150 PolarHBondContact N-O 2.99Å; F146-G150 PolarHBondContact O-N 3.47Å; K147-G150 PolarHBondContact O-N 2.88Å; K147-G150 VanDerWaalsContact O-N 3.09Å; A148-G150 PolarHBondContact O-N 3.35Å; G150-P152 WeakPolarHBondContact O-CD 3.48Å
151	F	91.2	Very high	91.1	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	27%	0.266	C	S	.	.			trans	-124.3	79.7	-175.1	-54.1	-72.7	0	0	0	111.3	W122 F146 A149 L153 L181 L184 D185 C188	W122-F151 HydrophobicContact CZ2-CE2 4.4Å; F146-F151 CarbonylContact C-O 3.55Å; F146-F151 HydrophobicContact CD1-CB 4.49Å; F146-F151 CarbonylContact O-C 3.52Å; F146-F151 PolarHBondContact O-N 2.96Å; A149-F151 HydrophobicContact CB-CD2 3.99Å; A149-F151 HydrophobicContact CB-CE2 4.4Å; F151-L153 VanDerWaalsContact C-N 3.27Å; F151-L153 HydrophobicContact CB-CD2 4.44Å; F151-L153 PolarHBondContact O-N 3.29Å; F151-L181 HydrophobicContact CD2-CD2 3.77Å; F151-L181 HydrophobicContact CE2-CD2 4.02Å; F151-L184 HydrophobicContact CB-CD2 3.72Å; F151-L184 HydrophobicContact CD1-CD2 3.97Å; F151-L184 HydrophobicContact CD1-CG 3.96Å; F151-L184 HydrophobicContact CD2-CD2 4.03Å; F151-L184 HydrophobicContact CE1-CG 4.28Å; F151-L184 HydrophobicContact CG-CD2 3.63Å; F151-L184 HydrophobicContact CG-CG 4.13Å; F151-D185 HydrophobicContact CZ-CB 3.82Å; F151-C188 HydrophobicContact CE1-CB 4.35Å
152	P	85.6	Confident	91	Very high	42 Å²	42	49.2 Å²	49.2	27%	0.273	27%	0.271	S	S	.	.			trans	-68.9	82	171.6	29.4	-37.5	0	0	0	111.3	Q22 F23 G150	Q22-P152 HydrophobicContact CB-CG 3.85Å; F23-P152 HydrophobicContact CD1-CG 4.19Å; F23-P152 HydrophobicContact CE1-CG 4.46Å; F23-P152 WeakPolarHBondContact CE1-O 3.32Å; G150-P152 WeakPolarHBondContact O-CD 3.48Å
153	L	87.6	Confident	91.1	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.084	31%	0.31	C	S	.	.			trans	-72.3	159.2	175.8	-55.5	-178.1	0	0	0	111.1	F23 F146 F151 L157 F158 M161 L184	F23-L153 HydrophobicContact CE1-CD2 3.95Å; F23-L153 HydrophobicContact CZ-CD2 3.83Å; F146-L153 HydrophobicContact CD1-CD1 3.62Å; F146-L153 HydrophobicContact CD1-CG 4.25Å; F146-L153 HydrophobicContact CE1-CD1 3.98Å; F151-L153 VanDerWaalsContact C-N 3.27Å; F151-L153 HydrophobicContact CB-CD2 4.44Å; F151-L153 PolarHBondContact O-N 3.29Å; L153-L157 HydrophobicContact CB-CB 4.14Å; L153-L157 HydrophobicContact CD1-CB 4.44Å; L153-L157 HydrophobicContact CD2-CD1 4.01Å; L153-F158 HydrophobicContact CB-CD1 4.29Å; L153-F158 HydrophobicContact CB-CD2 4Å; L153-F158 HydrophobicContact CB-CE1 4Å; L153-F158 HydrophobicContact CB-CE2 3.71Å; L153-F158 HydrophobicContact CB-CG 4.26Å; L153-F158 HydrophobicContact CB-CZ 3.68Å; L153-F158 HydrophobicContact CD1-CD1 4.23Å; L153-F158 HydrophobicContact CD1-CE1 4.09Å; L153-F158 HydrophobicContact CG-CE1 4.36Å; L153-F158 HydrophobicContact CG-CZ 4.35Å; L153-F158 WeakPolarHBondContact O-CE2 3.43Å; L153-M161 HydrophobicContact CD1-CE 4.38Å; L153-M161 HydrophobicContact CD1-CG 4.06Å; L153-L184 HydrophobicContact CD1-CD2 4.19Å; L153-L184 HydrophobicContact CD2-CD1 4.4Å; L153-L184 HydrophobicContact CD2-CD2 4.18Å
154	N	87.7	Confident	91.2	Very high	37 Å²	37	64.7 Å²	64.7	20%	0.198	32%	0.322	C	S	.	.			trans	-91.1	169.2	168.9	69.7	29.5	0	0	0	111.6	S16 I18 Q156 L157 F158	S16-N154 WeakPolarHBondContact CB-ND2 3.49Å; S16-N154 PolarHBondContact OG-ND2 2.91Å; I18-N154 WeakPolarHBondContact CD1-ND2 3.47Å; I18-N154 WeakPolarHBondContact CG1-ND2 3.48Å; N154-Q156 PolarHBondContact O-N 3.46Å; N154-Q156 PolarHBondContact OD1-N 3.5Å; N154-L157 PolarHBondContact O-N 2.95Å; N154-L157 VanDerWaalsContact O-N 3.16Å; N154-L157 PolarHBondContact OD1-N 3.48Å; N154-F158 VanDerWaalsContact O-CD2 3.28Å; N154-F158 WeakPolarHBondContact O-CD2 3.32Å; N154-F158 PolarHBondContact O-N 3.3Å
155	D	87.9	Confident	91.3	Very high	127 Å²	127	63.6 Å²	63.6	68%	0.679	31%	0.306	S	S	*	.	H	α-helix	trans	-56.7	-35.9	-175.8	-64	-13.6	0	0	0	113.5	F158 Q159	D155-F158 PolarHBondContact O-N 2.9Å; D155-Q159 VanDerWaalsContact O-CG 3.32Å; D155-Q159 WeakPolarHBondContact O-CG 3.26Å; D155-Q159 PolarHBondContact O-N 3.33Å
156	Q	89.4	Confident	91.3	Very high	86 Å²	86	64.7 Å²	64.7	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-45.4	179.8	-67.5	-178.1	-24.5	0	0	111.5	S16 N154 Q159 L160	S16-Q156 PolarHBondContact OG-OE1 3.32Å; N154-Q156 PolarHBondContact O-N 3.46Å; N154-Q156 PolarHBondContact OD1-N 3.5Å; Q156-Q159 PolarHBondContact O-N 3.44Å; Q156-L160 PolarHBondContact O-N 3.29Å
157	L	89.4	Confident	91.3	Very high	49 Å²	49	67.9 Å²	67.9	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-39.8	175.4	-72.4	-176.9	0	0	0	111.3	I18 L153 N154 Q159 L160 M161	I18-L157 HydrophobicContact CD1-CD1 3.5Å; I18-L157 VanDerWaalsContact CD1-CD1 3.5Å; I18-L157 HydrophobicContact CD1-CG 4.09Å; I18-L157 HydrophobicContact CG1-CD1 4.42Å; L153-L157 HydrophobicContact CB-CB 4.14Å; L153-L157 HydrophobicContact CD1-CB 4.44Å; L153-L157 HydrophobicContact CD2-CD1 4.01Å; N154-L157 PolarHBondContact O-N 2.95Å; N154-L157 VanDerWaalsContact O-N 3.16Å; N154-L157 PolarHBondContact OD1-N 3.48Å; L157-Q159 VanDerWaalsContact C-N 3.32Å; L157-Q159 PolarHBondContact O-N 2.9Å; L157-L160 HydrophobicContact CD2-CD1 4.38Å; L157-L160 PolarHBondContact O-N 2.94Å; L157-L160 VanDerWaalsContact O-N 3.16Å; L157-M161 WeakPolarHBondContact O-CG 3.45Å; L157-M161 PolarHBondContact O-N 2.89Å
158	F	89.9	Confident	91.2	Very high	23 Å²	23	69.7 Å²	69.7	10%	0.101	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-44.7	174.4	-82.3	-57.7	0	0	0	112.1	L142 P143 F146 L153 N154 D155 L160 M161 V162	L142-F158 HydrophobicContact CD2-CD1 4.09Å; L142-F158 HydrophobicContact CG-CD1 4.39Å; L142-F158 HydrophobicContact CG-CE1 4.47Å; P143-F158 HydrophobicContact CB-CE2 4.04Å; P143-F158 HydrophobicContact CB-CZ 3.97Å; P143-F158 HydrophobicContact CG-CE2 4.47Å; P143-F158 HydrophobicContact CG-CZ 4.5Å; F146-F158 HydrophobicContact CB-CE1 3.76Å; F146-F158 HydrophobicContact CB-CZ 4.01Å; F146-F158 HydrophobicContact CD1-CE1 4.33Å; F146-F158 HydrophobicContact CD2-CE1 4.42Å; F146-F158 AromaticContact CG-CE1 3.92Å; F146-F158 HydrophobicContact CG-CE1 3.92Å; L153-F158 HydrophobicContact CB-CD1 4.29Å; L153-F158 HydrophobicContact CB-CD2 4Å; L153-F158 HydrophobicContact CB-CE1 4Å; L153-F158 HydrophobicContact CB-CE2 3.71Å; L153-F158 HydrophobicContact CB-CG 4.26Å; L153-F158 HydrophobicContact CB-CZ 3.68Å; L153-F158 HydrophobicContact CD1-CD1 4.23Å; L153-F158 HydrophobicContact CD1-CE1 4.09Å; L153-F158 HydrophobicContact CG-CE1 4.36Å; L153-F158 HydrophobicContact CG-CZ 4.35Å; L153-F158 WeakPolarHBondContact O-CE2 3.43Å; N154-F158 VanDerWaalsContact O-CD2 3.28Å; N154-F158 WeakPolarHBondContact O-CD2 3.32Å; N154-F158 PolarHBondContact O-N 3.3Å; D155-F158 PolarHBondContact O-N 2.9Å; F158-L160 VanDerWaalsContact C-N 3.3Å; F158-L160 PolarHBondContact O-N 2.88Å; F158-M161 PolarHBondContact O-N 3.43Å; F158-V162 WeakPolarHBondContact O-CG2 3.37Å; F158-V162 PolarHBondContact O-N 3.09Å
159	Q	90.4	Very high	91.1	Very high	142 Å²	142	73.4 Å²	73.4	66%	0.664	35%	0.35	S	S	*	.	H	α-helix	trans	-60.6	-38.4	176.6	-74.1	176.9	3.8	0	0	112.7	D155 Q156 L157 R163	D155-Q159 VanDerWaalsContact O-CG 3.32Å; D155-Q159 WeakPolarHBondContact O-CG 3.26Å; D155-Q159 PolarHBondContact O-N 3.33Å; Q156-Q159 PolarHBondContact O-N 3.44Å; L157-Q159 VanDerWaalsContact C-N 3.32Å; L157-Q159 PolarHBondContact O-N 2.9Å; Q159-R163 VanDerWaalsContact O-CB 3.3Å; Q159-R163 WeakPolarHBondContact O-CB 3.37Å; Q159-R163 PolarHBondContact O-N 3.2Å
160	L	92.2	Very high	91.1	Very high	110 Å²	110	73.8 Å²	73.8	58%	0.576	35%	0.354	S	S	*	.	H	α-helix	trans	-67.1	-41.4	175	-67.5	177	0	0	0	112	Q156 L157 F158 R163 R164	Q156-L160 PolarHBondContact O-N 3.29Å; L157-L160 HydrophobicContact CD2-CD1 4.38Å; L157-L160 PolarHBondContact O-N 2.94Å; L157-L160 VanDerWaalsContact O-N 3.16Å; F158-L160 VanDerWaalsContact C-N 3.3Å; F158-L160 PolarHBondContact O-N 2.88Å; L160-R163 PolarHBondContact O-N 3.4Å; L160-R164 WeakPolarHBondContact O-CB 3.47Å; L160-R164 PolarHBondContact O-N 3.5Å; L160-R164 VanDerWaalsContact O-N 3.09Å
161	M	92.1	Very high	91.2	Very high	33 Å²	33	75.1 Å²	75.1	16%	0.163	36%	0.358	C	S	.	.	H	α-helix	trans	-65	-47.7	177.8	-65.8	-54.5	-171.8	0	0	111.5	L153 L157 F158 R163 R164 Y165 L184	L153-M161 HydrophobicContact CD1-CE 4.38Å; L153-M161 HydrophobicContact CD1-CG 4.06Å; L157-M161 WeakPolarHBondContact O-CG 3.45Å; L157-M161 PolarHBondContact O-N 2.89Å; F158-M161 PolarHBondContact O-N 3.43Å; M161-R163 VanDerWaalsContact C-N 3.33Å; M161-R163 PolarHBondContact O-N 3.17Å; M161-R164 PolarHBondContact O-N 3.26Å; M161-R164 VanDerWaalsContact O-N 3.17Å; M161-Y165 WeakPolarHBondContact O-CB 3.5Å; M161-Y165 WeakPolarHBondContact O-CD2 3.38Å; M161-Y165 PolarHBondContact O-N 3.06Å; M161-Y165 HydrophobicContact SD-CD2 4.12Å; M161-Y165 HydrophobicContact SD-CE2 3.83Å; M161-L184 HydrophobicContact CE-CD1 4.06Å; M161-L184 HydrophobicContact CE-CD2 4.44Å
162	V	92	Very high	91.5	Very high	33 Å²	33	75 Å²	75	20%	0.2	36%	0.358	C	S	.	.	H	α-helix	trans	-57	-48.3	175.5	172.2	0	0	0	0	110.2	L142 F158 R164 Y165 S166	L142-V162 HydrophobicContact CD2-CG2 3.46Å; L142-V162 VanDerWaalsContact CD2-CG2 3.46Å; F158-V162 WeakPolarHBondContact O-CG2 3.37Å; F158-V162 PolarHBondContact O-N 3.09Å; V162-R164 PolarHBondContact O-N 3.37Å; V162-Y165 PolarHBondContact O-N 2.87Å; V162-S166 WeakPolarHBondContact O-CA 3.38Å; V162-S166 WeakPolarHBondContact O-CB 3.47Å; V162-S166 PolarHBondContact O-N 3.49Å; V162-S166 PolarHBondContact O-OG 3.34Å
163	R	93.1	Very high	91.9	Very high	223 Å²	223	74.5 Å²	74.5	84%	0.842	35%	0.352	S	S	*	.	H	α-helix	trans	-62.4	-29.5	-179.3	-174	174.1	-179.1	176.4	1.1	113.7	Q159 L160 M161	Q159-R163 VanDerWaalsContact O-CB 3.3Å; Q159-R163 WeakPolarHBondContact O-CB 3.37Å; Q159-R163 PolarHBondContact O-N 3.2Å; L160-R163 PolarHBondContact O-N 3.4Å; M161-R163 VanDerWaalsContact C-N 3.33Å; M161-R163 PolarHBondContact O-N 3.17Å
164	R	94.2	Very high	92.3	Very high	161 Å²	161	73.9 Å²	73.9	61%	0.608	35%	0.349	S	S	*	.	H	α-helix	trans	-90.9	-33.1	-176.5	176.5	57.9	-174.5	79.5	0.5	113.3	L160 M161 V162	L160-R164 WeakPolarHBondContact O-CB 3.47Å; L160-R164 PolarHBondContact O-N 3.5Å; L160-R164 VanDerWaalsContact O-N 3.09Å; M161-R164 PolarHBondContact O-N 3.26Å; M161-R164 VanDerWaalsContact O-N 3.17Å; V162-R164 PolarHBondContact O-N 3.37Å
165	Y	94.7	Very high	92.7	Very high	30 Å²	30	72.3 Å²	72.3	12%	0.118	34%	0.341	C	S	.	.	H	α-helix	trans	-123.5	-5.3	-166.3	-64.6	-76.8	0	0	0	114.1	M161 V162 N176 C180	M161-Y165 WeakPolarHBondContact O-CB 3.5Å; M161-Y165 WeakPolarHBondContact O-CD2 3.38Å; M161-Y165 PolarHBondContact O-N 3.06Å; M161-Y165 HydrophobicContact SD-CD2 4.12Å; M161-Y165 HydrophobicContact SD-CE2 3.83Å; V162-Y165 PolarHBondContact O-N 2.87Å; Y165-N176 HydrophobicContact CD1-CB 4.43Å; Y165-N176 VanDerWaalsContact O-CB 3.27Å; Y165-N176 WeakPolarHBondContact O-CB 3.42Å; Y165-C180 HydrophobicContact CD1-CB 3.95Å; Y165-C180 HydrophobicContact CD2-CB 3.84Å; Y165-C180 HydrophobicContact CE1-CB 4Å; Y165-C180 HydrophobicContact CE2-CB 3.89Å; Y165-C180 HydrophobicContact CG-CB 3.87Å
166	S	95	Very high	93.1	Very high	23 Å²	23	68.3 Å²	68.3	16%	0.161	32%	0.319	C	S	.	.	S	Bend	trans	-107.2	159.5	177.2	-56.3	0	0	0	0	112.1	V162 N171	V162-S166 WeakPolarHBondContact O-CA 3.38Å; V162-S166 WeakPolarHBondContact O-CB 3.47Å; V162-S166 PolarHBondContact O-N 3.49Å; V162-S166 PolarHBondContact O-OG 3.34Å; S166-N171 CarbonylContact C-O 3.41Å; S166-N171 VanDerWaalsContact CA-O 3.23Å; S166-N171 WeakPolarHBondContact CA-O 3.45Å; S166-N171 VanDerWaalsContact CB-O 3.32Å; S166-N171 WeakPolarHBondContact CB-O 3.47Å
167	D	93.9	Very high	93.4	Very high	67 Å²	67	64.2 Å²	64.2	36%	0.358	30%	0.3	S	S	.	.			trans	-70.1	178.7	170.7	68.6	17.4	0	0	0	112.5	Q169 G170 N171	D167-Q169 PolarHBondContact O-N 3.22Å; D167-Q169 VanDerWaalsContact O-N 3.17Å; D167-Q169 VanDerWaalsContact OD1-C 3.28Å; D167-Q169 VanDerWaalsContact OD1-CA 3.29Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.43Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.48Å; D167-Q169 PolarHBondContact OD1-N 3.27Å; D167-Q169 PolarHBondContact OD1-OE1 3.49Å; D167-Q169 PolarHBondContact OD2-OE1 2.84Å; D167-G170 PolarHBondContact O-N 3.24Å; D167-G170 PolarHBondContact OD1-N 3.4Å; D167-N171 PolarHBondContact N-O 3.11Å; D167-N171 PolarHBondContact OD1-N 2.76Å
168	E	91.1	Very high	93.8	Very high	190 Å²	190	61.9 Å²	61.9	89%	0.888	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20	178.9	-64.3	-175.2	166.8	0	0	113.3	G170	E168-G170 VanDerWaalsContact C-N 3.33Å
169	Q	91	Very high	94	Very high	132 Å²	132	61.6 Å²	61.6	62%	0.617	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.4	176.6	-63.1	74.8	30.8	0	0	112	D167 N171	D167-Q169 PolarHBondContact O-N 3.22Å; D167-Q169 VanDerWaalsContact O-N 3.17Å; D167-Q169 VanDerWaalsContact OD1-C 3.28Å; D167-Q169 VanDerWaalsContact OD1-CA 3.29Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.43Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.48Å; D167-Q169 PolarHBondContact OD1-N 3.27Å; D167-Q169 PolarHBondContact OD1-OE1 3.49Å; D167-Q169 PolarHBondContact OD2-OE1 2.84Å; Q169-N171 WeakPolarHBondContact CB-ND2 3.48Å
170	G	92.3	Very high	94.2	Very high	9 Å²	9	54.9 Å²	54.9	9%	0.093	26%	0.26	C	S	.	.	S	Bend	trans	76.7	23.6	-179.5	0	0	0	0	0	113.5	S139 D167 E168	S139-G170 PolarHBondContact N-O 3.21Å; S139-G170 WeakPolarHBondContact OG-CA 3.3Å; S139-G170 PolarHBondContact OG-O 2.79Å; D167-G170 PolarHBondContact O-N 3.24Å; D167-G170 PolarHBondContact OD1-N 3.4Å; E168-G170 VanDerWaalsContact C-N 3.33Å
171	N	94.9	Very high	94.4	Very high	43 Å²	43	49.6 Å²	49.6	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139	174.1	-52.6	-56.3	0	0	0	110.7	L136 I137 S166 D167 Q169	L136-N171 HydrophobicContact CB-CB 4.11Å; L136-N171 HydrophobicContact CD1-CB 3.89Å; L136-N171 HydrophobicContact CG-CB 4.49Å; I137-N171 WeakPolarHBondContact O-CA 3.31Å; S166-N171 CarbonylContact C-O 3.41Å; S166-N171 VanDerWaalsContact CA-O 3.23Å; S166-N171 WeakPolarHBondContact CA-O 3.45Å; S166-N171 VanDerWaalsContact CB-O 3.32Å; S166-N171 WeakPolarHBondContact CB-O 3.47Å; D167-N171 PolarHBondContact N-O 3.11Å; D167-N171 PolarHBondContact OD1-N 2.76Å; Q169-N171 WeakPolarHBondContact CB-ND2 3.48Å
172	M	96.1	Very high	94.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.8	179	-169.7	174.4	-61.8	0	0	109.7	Y126 I137 L142 N176 F177	Y126-M172 PolarHBondContact OH-O 2.89Å; I137-M172 PolarHBondContact N-O 3.25Å; I137-M172 PolarHBondContact O-N 2.87Å; L142-M172 HydrophobicContact CD1-CE 3.82Å; L142-M172 HydrophobicContact CD1-SD 4.06Å; L142-M172 HydrophobicContact CD2-CE 4.26Å; M172-N176 HydrophobicContact CG-CB 4.16Å; M172-F177 HydrophobicContact CG-CB 4.04Å; M172-F177 HydrophobicContact SD-CB 3.92Å; M172-F177 HydrophobicContact SD-CD2 4.04Å
173	D	95.8	Very high	94.6	Very high	30 Å²	30	50.2 Å²	50.2	16%	0.16	23%	0.229	C	C	.	.			trans	-77.8	174.1	173.4	64.3	10.4	0	0	0	112	K83 Y126 L136 N176 F177	K83-D173 WeakPolarHBondContact O-CB 3.46Å; Y126-D173 VanDerWaalsContact OH-C 3.3Å; Y126-D173 WeakPolarHBondContact OH-CA 3.37Å; L136-D173 HydrophobicContact CD2-CB 3.67Å; D173-N176 WeakPolarHBondContact OD1-CB 3.24Å; D173-N176 PolarHBondContact OD1-N 3.46Å; D173-N176 PolarHBondContact OD1-ND2 2.93Å; D173-F177 VanDerWaalsContact O-CB 3.27Å; D173-F177 WeakPolarHBondContact O-CB 3.2Å; D173-F177 PolarHBondContact O-N 2.87Å
174	F	96.3	Very high	94.7	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-67.9	-41.3	-167.3	-177.7	-105.7	0	0	0	113.4	I76 L82 K83 F87 Q123 Y126 F177 I178	I76-F174 HydrophobicContact CD1-CD1 3.62Å; I76-F174 HydrophobicContact CD1-CE1 3.72Å; I76-F174 HydrophobicContact CG1-CD1 3.95Å; I76-F174 HydrophobicContact CG1-CE1 3.81Å; L82-F174 HydrophobicContact CB-CB 4.36Å; L82-F174 HydrophobicContact CB-CG 4.41Å; L82-F174 HydrophobicContact CD1-CD1 4.11Å; L82-F174 HydrophobicContact CD1-CD2 4.07Å; L82-F174 HydrophobicContact CD1-CE1 4.12Å; L82-F174 HydrophobicContact CD1-CE2 4.09Å; L82-F174 HydrophobicContact CD1-CG 4.08Å; L82-F174 HydrophobicContact CD1-CZ 4.11Å; L82-F174 HydrophobicContact CD2-CD2 3.94Å; L82-F174 HydrophobicContact CD2-CE2 4.37Å; L82-F174 HydrophobicContact CD2-CG 4.38Å; L82-F174 HydrophobicContact CG-CD2 4.49Å; K83-F174 WeakPolarHBondContact O-CB 3.28Å; K83-F174 PolarHBondContact O-N 3.39Å; F87-F174 HydrophobicContact CE2-CE1 4.49Å; F87-F174 HydrophobicContact CZ-CE1 4.42Å; Q123-F174 HydrophobicContact CB-CE2 3.99Å; Q123-F174 HydrophobicContact CB-CZ 3.96Å; Q123-F174 HydrophobicContact CG-CE2 3.95Å; Q123-F174 HydrophobicContact CG-CZ 3.95Å; Y126-F174 AromaticContact CD1-CD2 3.99Å; Y126-F174 HydrophobicContact CD1-CD2 3.99Å; Y126-F174 HydrophobicContact CD2-CD2 4.16Å; Y126-F174 HydrophobicContact CE1-CB 4.43Å; Y126-F174 HydrophobicContact CE1-CD2 4.22Å; Y126-F174 HydrophobicContact CE2-CD2 4.35Å; Y126-F174 AromaticContact CG-CD2 3.95Å; Y126-F174 HydrophobicContact CG-CD2 3.95Å; Y126-F174 HydrophobicContact CG-CE2 4.43Å; Y126-F174 PolarHBondContact OH-N 2.89Å; F174-F177 PolarHBondContact O-N 2.91Å; F174-I178 HydrophobicContact CD1-CG1 4.4Å; F174-I178 HydrophobicContact CD2-CG1 4.41Å; F174-I178 HydrophobicContact CE1-CG1 3.93Å; F174-I178 HydrophobicContact CE2-CD1 4.07Å; F174-I178 HydrophobicContact CE2-CG1 3.93Å; F174-I178 HydrophobicContact CZ-CD1 3.95Å; F174-I178 HydrophobicContact CZ-CG1 3.67Å; F174-I178 WeakPolarHBondContact O-CG1 3.46Å; F174-I178 PolarHBondContact O-N 3.4Å
175	D	95.5	Very high	94.6	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.027	17%	0.165	C	C	.	.	H	α-helix	trans	-72.1	-38.5	-178.2	60.8	-75.5	0	0	0	112	T84 F87 F177 I178 G179	T84-D175 WeakPolarHBondContact CB-OD1 3.39Å; T84-D175 VanDerWaalsContact OG1-CG 3.31Å; T84-D175 PolarHBondContact OG1-OD1 2.91Å; F87-D175 HydrophobicContact CD1-CB 3.6Å; F87-D175 HydrophobicContact CD2-CB 4.41Å; F87-D175 VanDerWaalsContact CE1-CA 3.45Å; F87-D175 HydrophobicContact CE1-CB 3.52Å; F87-D175 HydrophobicContact CE2-CB 4.45Å; F87-D175 HydrophobicContact CG-CB 4.04Å; F87-D175 HydrophobicContact CZ-CB 4.01Å; D175-F177 VanDerWaalsContact C-N 3.35Å; D175-I178 PolarHBondContact O-N 2.9Å; D175-G179 PolarHBondContact O-N 2.87Å
176	N	96	Very high	94.5	Very high	43 Å²	43	31.7 Å²	31.7	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-38.6	172.3	-75.2	-63.3	0	0	0	111.7	Y165 M172 D173 G179 C180	Y165-N176 HydrophobicContact CD1-CB 4.43Å; Y165-N176 VanDerWaalsContact O-CB 3.27Å; Y165-N176 WeakPolarHBondContact O-CB 3.42Å; M172-N176 HydrophobicContact CG-CB 4.16Å; D173-N176 WeakPolarHBondContact OD1-CB 3.24Å; D173-N176 PolarHBondContact OD1-N 3.46Å; D173-N176 PolarHBondContact OD1-ND2 2.93Å; N176-G179 PolarHBondContact O-N 3.23Å; N176-C180 VanDerWaalsContact O-CB 3.25Å; N176-C180 WeakPolarHBondContact O-CB 3.49Å; N176-C180 PolarHBondContact O-N 3.49Å
177	F	96.3	Very high	94.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-49.2	175	175.2	-102.4	0	0	0	112.4	W122 Y126 T145 F146 M172 D173 F174 D175 C180 L181	W122-F177 HydrophobicContact CB-CE1 3.98Å; Y126-F177 HydrophobicContact CD2-CB 3.95Å; Y126-F177 AromaticContact CD2-CD1 3.37Å; Y126-F177 HydrophobicContact CD2-CD1 3.37Å; Y126-F177 HydrophobicContact CD2-CD2 4.06Å; Y126-F177 AromaticContact CD2-CE1 3.73Å; Y126-F177 HydrophobicContact CD2-CE1 3.73Å; Y126-F177 HydrophobicContact CD2-CE2 4.38Å; Y126-F177 AromaticContact CD2-CG 3.53Å; Y126-F177 HydrophobicContact CD2-CG 3.53Å; Y126-F177 HydrophobicContact CD2-CZ 4.21Å; Y126-F177 HydrophobicContact CE2-CB 3.73Å; Y126-F177 HydrophobicContact CE2-CD1 4.07Å; Y126-F177 HydrophobicContact CE2-CD2 4.38Å; Y126-F177 AromaticContact CE2-CG 3.82Å; Y126-F177 HydrophobicContact CE2-CG 3.82Å; Y126-F177 HydrophobicContact CG-CD1 4.26Å; Y126-F177 HydrophobicContact CG-CE1 4.33Å; T145-F177 HydrophobicContact CG2-CE2 3.48Å; T145-F177 VanDerWaalsContact CG2-CE2 3.48Å; T145-F177 HydrophobicContact CG2-CZ 3.63Å; F146-F177 HydrophobicContact CD2-CE2 4.36Å; F146-F177 HydrophobicContact CE2-CD2 4.11Å; F146-F177 AromaticContact CE2-CE2 3.92Å; F146-F177 HydrophobicContact CE2-CE2 3.92Å; M172-F177 HydrophobicContact CG-CB 4.04Å; M172-F177 HydrophobicContact SD-CB 3.92Å; M172-F177 HydrophobicContact SD-CD2 4.04Å; D173-F177 VanDerWaalsContact O-CB 3.27Å; D173-F177 WeakPolarHBondContact O-CB 3.2Å; D173-F177 PolarHBondContact O-N 2.87Å; F174-F177 PolarHBondContact O-N 2.91Å; D175-F177 VanDerWaalsContact C-N 3.35Å; F177-C180 PolarHBondContact O-N 3.47Å; F177-L181 HydrophobicContact CD1-CD1 4.2Å; F177-L181 HydrophobicContact CD2-CD1 4.35Å; F177-L181 HydrophobicContact CE1-CD1 3.55Å; F177-L181 HydrophobicContact CE2-CD1 3.7Å; F177-L181 HydrophobicContact CE2-CG 4.29Å; F177-L181 HydrophobicContact CZ-CD1 3.27Å; F177-L181 HydrophobicContact CZ-CG 4.31Å; F177-L181 PolarHBondContact O-N 2.76Å
178	I	96.3	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-44.1	177.8	-65.6	-63.3	0	0	0	110.8	F87 M95 I119 W122 F174 D175 C180 L181 V182	F87-I178 HydrophobicContact CE1-CB 4.03Å; F87-I178 HydrophobicContact CE1-CG2 4.1Å; F87-I178 HydrophobicContact CZ-CB 3.87Å; F87-I178 HydrophobicContact CZ-CG1 4.22Å; F87-I178 HydrophobicContact CZ-CG2 3.94Å; M95-I178 HydrophobicContact CE-CB 4.46Å; M95-I178 HydrophobicContact CE-CG2 3.76Å; I119-I178 HydrophobicContact CD1-CG2 4.19Å; I119-I178 HydrophobicContact CG1-CG2 3.82Å; I119-I178 HydrophobicContact CG2-CD1 4.31Å; W122-I178 HydrophobicContact CB-CD1 3.83Å; W122-I178 HydrophobicContact CE3-CD1 4.35Å; F174-I178 HydrophobicContact CD1-CG1 4.4Å; F174-I178 HydrophobicContact CD2-CG1 4.41Å; F174-I178 HydrophobicContact CE1-CG1 3.93Å; F174-I178 HydrophobicContact CE2-CD1 4.07Å; F174-I178 HydrophobicContact CE2-CG1 3.93Å; F174-I178 HydrophobicContact CZ-CD1 3.95Å; F174-I178 HydrophobicContact CZ-CG1 3.67Å; F174-I178 WeakPolarHBondContact O-CG1 3.46Å; F174-I178 PolarHBondContact O-N 3.4Å; D175-I178 PolarHBondContact O-N 2.9Å; I178-C180 VanDerWaalsContact C-N 3.32Å; I178-C180 PolarHBondContact O-N 3.41Å; I178-L181 PolarHBondContact O-N 3.24Å; I178-V182 HydrophobicContact CG2-CG2 4.11Å; I178-V182 WeakPolarHBondContact O-CB 3.18Å; I178-V182 VanDerWaalsContact O-CG2 3.27Å; I178-V182 WeakPolarHBondContact O-CG2 3.49Å; I178-V182 PolarHBondContact O-N 2.83Å
179	G	95	Very high	94.2	Very high	16 Å²	16	23.8 Å²	23.8	17%	0.165	12%	0.12	C	C	.	.	H	α-helix	trans	-56.4	-45.4	175.7	0	0	0	0	0	112.7	D175 N176 R183	D175-G179 PolarHBondContact O-N 2.87Å; N176-G179 PolarHBondContact O-N 3.23Å; G179-R183 PolarHBondContact O-N 2.85Å; G179-R183 VanDerWaalsContact O-N 3.17Å
180	C	95.3	Very high	94.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-48.8	176.7	-177.3	0	0	0	0	111.9	Y165 N176 F177 I178 R183 L184	Y165-C180 HydrophobicContact CD1-CB 3.95Å; Y165-C180 HydrophobicContact CD2-CB 3.84Å; Y165-C180 HydrophobicContact CE1-CB 4Å; Y165-C180 HydrophobicContact CE2-CB 3.89Å; Y165-C180 HydrophobicContact CG-CB 3.87Å; N176-C180 VanDerWaalsContact O-CB 3.25Å; N176-C180 WeakPolarHBondContact O-CB 3.49Å; N176-C180 PolarHBondContact O-N 3.49Å; F177-C180 PolarHBondContact O-N 3.47Å; I178-C180 VanDerWaalsContact C-N 3.32Å; I178-C180 PolarHBondContact O-N 3.41Å; C180-R183 PolarHBondContact O-N 3Å; C180-L184 VanDerWaalsContact O-CB 3.3Å; C180-L184 WeakPolarHBondContact O-CB 3.49Å; C180-L184 PolarHBondContact O-N 3.3Å
181	L	95.9	Very high	94.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.9	-37.6	-177.6	-74.6	-177.7	0	0	0	113.2	W122 F146 A149 F151 F177 I178 R183 L184 D185	W122-L181 HydrophobicContact CB-CD1 3.87Å; W122-L181 HydrophobicContact CD2-CB 3.85Å; W122-L181 HydrophobicContact CD2-CD1 3.76Å; W122-L181 HydrophobicContact CD2-CG 4.47Å; W122-L181 HydrophobicContact CE3-CB 3.79Å; W122-L181 HydrophobicContact CE3-CD1 4.37Å; W122-L181 HydrophobicContact CG-CB 4.49Å; W122-L181 HydrophobicContact CG-CD1 3.52Å; W122-L181 HydrophobicContact CH2-CB 4.02Å; W122-L181 WeakPolarHBondContact CH2-O 3.22Å; W122-L181 HydrophobicContact CZ2-CB 4.08Å; W122-L181 HydrophobicContact CZ3-CB 3.89Å; F146-L181 HydrophobicContact CD1-CD2 4.08Å; F146-L181 HydrophobicContact CE1-CD2 3.81Å; F146-L181 HydrophobicContact CZ-CD2 4.08Å; A149-L181 HydrophobicContact CB-CD1 4.07Å; A149-L181 HydrophobicContact CB-CD2 4.15Å; F151-L181 HydrophobicContact CD2-CD2 3.77Å; F151-L181 HydrophobicContact CE2-CD2 4.02Å; F177-L181 HydrophobicContact CD1-CD1 4.2Å; F177-L181 HydrophobicContact CD2-CD1 4.35Å; F177-L181 HydrophobicContact CE1-CD1 3.55Å; F177-L181 HydrophobicContact CE2-CD1 3.7Å; F177-L181 HydrophobicContact CE2-CG 4.29Å; F177-L181 HydrophobicContact CZ-CD1 3.27Å; F177-L181 HydrophobicContact CZ-CG 4.31Å; F177-L181 PolarHBondContact O-N 2.76Å; I178-L181 PolarHBondContact O-N 3.24Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 2.94Å; L181-L184 HydrophobicContact CD2-CD2 4.42Å; L181-L184 PolarHBondContact O-N 3.41Å; L181-D185 VanDerWaalsContact O-CB 3.22Å; L181-D185 WeakPolarHBondContact O-CB 3.42Å; L181-D185 PolarHBondContact O-N 3.42Å
182	V	94.9	Very high	93.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-57.8	-47.3	173.2	169.3	0	0	0	0	110.1	M95 V98 M99 L115 W122 I178 A186	M95-V182 HydrophobicContact CB-CG1 4.17Å; M95-V182 HydrophobicContact CE-CG2 4.49Å; M95-V182 HydrophobicContact CG-CB 4.26Å; M95-V182 HydrophobicContact CG-CG1 3.91Å; M95-V182 HydrophobicContact CG-CG2 4.26Å; V98-V182 HydrophobicContact CG2-CG1 3.41Å; V98-V182 VanDerWaalsContact CG2-CG1 3.41Å; M99-V182 HydrophobicContact CE-CG1 4.29Å; L115-V182 HydrophobicContact CD1-CG1 4.27Å; L115-V182 HydrophobicContact CD1-CG2 3.66Å; W122-V182 HydrophobicContact CH2-CG2 4.41Å; W122-V182 HydrophobicContact CZ3-CB 4.38Å; W122-V182 HydrophobicContact CZ3-CG2 3.63Å; I178-V182 HydrophobicContact CG2-CG2 4.11Å; I178-V182 WeakPolarHBondContact O-CB 3.18Å; I178-V182 VanDerWaalsContact O-CG2 3.27Å; I178-V182 WeakPolarHBondContact O-CG2 3.49Å; I178-V182 PolarHBondContact O-N 2.83Å; V182-A186 WeakPolarHBondContact O-CB 3.2Å; V182-A186 PolarHBondContact O-N 2.66Å; V182-A186 VanDerWaalsContact O-N 3.13Å
183	R	93.6	Very high	93.4	Very high	76 Å²	76	28.1 Å²	28.1	29%	0.287	15%	0.147	S	C	.	.	H	α-helix	trans	-67	-45.1	179.1	-168.3	174.2	-173.6	80.8	11.4	111.8	G179 C180 L181 A186 M187 S216	G179-R183 PolarHBondContact O-N 2.85Å; G179-R183 VanDerWaalsContact O-N 3.17Å; C180-R183 PolarHBondContact O-N 3Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 2.94Å; R183-A186 PolarHBondContact O-N 3.29Å; R183-M187 VanDerWaalsContact O-CG 3.26Å; R183-M187 WeakPolarHBondContact O-CG 3.37Å; R183-M187 PolarHBondContact O-N 2.95Å; R183-S216 VanDerWaalsContact CZ-O 3.27Å; R183-S216 PolarHBondContact NH1-O 3.32Å; R183-S216 PolarHBondContact NH1-OXT 3.21Å; R183-S216 PolarHBondContact NH2-O 3.18Å
184	L	93.6	Very high	93.1	Very high	19 Å²	19	30.4 Å²	30.4	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-47.2	179.8	-178.5	59.4	0	0	0	111.7	F146 F151 L153 M161 C180 L181 A186 M187 C188	F146-L184 HydrophobicContact CD1-CD2 4.01Å; F146-L184 HydrophobicContact CE1-CD2 3.9Å; F151-L184 HydrophobicContact CB-CD2 3.72Å; F151-L184 HydrophobicContact CD1-CD2 3.97Å; F151-L184 HydrophobicContact CD1-CG 3.96Å; F151-L184 HydrophobicContact CD2-CD2 4.03Å; F151-L184 HydrophobicContact CE1-CG 4.28Å; F151-L184 HydrophobicContact CG-CD2 3.63Å; F151-L184 HydrophobicContact CG-CG 4.13Å; L153-L184 HydrophobicContact CD1-CD2 4.19Å; L153-L184 HydrophobicContact CD2-CD1 4.4Å; L153-L184 HydrophobicContact CD2-CD2 4.18Å; M161-L184 HydrophobicContact CE-CD1 4.06Å; M161-L184 HydrophobicContact CE-CD2 4.44Å; C180-L184 VanDerWaalsContact O-CB 3.3Å; C180-L184 WeakPolarHBondContact O-CB 3.49Å; C180-L184 PolarHBondContact O-N 3.3Å; L181-L184 HydrophobicContact CD2-CD2 4.42Å; L181-L184 PolarHBondContact O-N 3.41Å; L184-A186 VanDerWaalsContact C-N 3.34Å; L184-A186 PolarHBondContact O-N 3.07Å; L184-M187 PolarHBondContact O-N 3.44Å; L184-C188 PolarHBondContact O-N 3.46Å; L184-C188 PolarHBondContact O-SG 2.99Å
185	D	93.6	Very high	92.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.3	-47.2	176.2	178.1	75.1	0	0	0	111.5	P25 S26 W122 F151 L181 M187 C188 R189	P25-D185 WeakPolarHBondContact CA-OD1 3.41Å; S26-D185 PolarHBondContact N-OD1 3Å; W122-D185 HydrophobicContact CH2-CB 3.91Å; W122-D185 HydrophobicContact CZ2-CB 4.01Å; F151-D185 HydrophobicContact CZ-CB 3.82Å; L181-D185 VanDerWaalsContact O-CB 3.22Å; L181-D185 WeakPolarHBondContact O-CB 3.42Å; L181-D185 PolarHBondContact O-N 3.42Å; D185-M187 PolarHBondContact O-N 2.77Å; D185-C188 PolarHBondContact O-N 2.84Å; D185-R189 WeakPolarHBondContact O-CG 3.32Å; D185-R189 PolarHBondContact O-N 2.97Å; D185-R189 IonicContact OD2-CZ 2.93Å; D185-R189 IonicContact OD2-NE 2.76Å; D185-R189 PolarHBondContact OD2-NE 2.74Å; D185-R189 IonicContact OD2-NH2 3.55Å; D185-R189 PolarHBondContact OD2-NH2 3.39Å
186	A	91.8	Very high	92.4	Very high	6 Å²	6	39.7 Å²	39.7	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-44.6	178.2	0	0	0	0	0	112.8	V98 V182 R183 L184 C188 R189 A190	V98-A186 HydrophobicContact CB-CB 3.63Å; V98-A186 HydrophobicContact CG1-CB 4.41Å; V98-A186 HydrophobicContact CG2-CB 3.86Å; V182-A186 WeakPolarHBondContact O-CB 3.2Å; V182-A186 PolarHBondContact O-N 2.66Å; V182-A186 VanDerWaalsContact O-N 3.13Å; R183-A186 PolarHBondContact O-N 3.29Å; L184-A186 VanDerWaalsContact C-N 3.34Å; L184-A186 PolarHBondContact O-N 3.07Å; A186-C188 PolarHBondContact O-N 2.77Å; A186-R189 PolarHBondContact O-N 3.21Å; A186-A190 WeakPolarHBondContact O-CB 3.45Å; A186-A190 PolarHBondContact O-N 3.27Å
187	M	91.7	Very high	92.1	Very high	64 Å²	64	42.9 Å²	42.9	32%	0.315	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-43.3	176.8	-68.5	-62.9	98.4	0	0	111.7	R183 L184 D185 A190 F191 S216	R183-M187 VanDerWaalsContact O-CG 3.26Å; R183-M187 WeakPolarHBondContact O-CG 3.37Å; R183-M187 PolarHBondContact O-N 2.95Å; L184-M187 PolarHBondContact O-N 3.44Å; D185-M187 PolarHBondContact O-N 2.77Å; M187-A190 PolarHBondContact O-N 3.01Å; M187-F191 WeakPolarHBondContact O-CB 3.22Å; M187-F191 PolarHBondContact O-N 3.01Å; M187-S216 WeakPolarHBondContact CE-OXT 3.35Å
188	C	91.4	Very high	91.7	Very high	11 Å²	11	49 Å²	49	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-43	176.2	-68.6	0	0	0	0	112.1	F23 P25 F151 L184 D185 A186 F191 K192	F23-C188 WeakPolarHBondContact CD2-SG 2.82Å; P25-C188 HydrophobicContact CB-CB 3.98Å; P25-C188 HydrophobicContact CG-CB 4.22Å; F151-C188 HydrophobicContact CE1-CB 4.35Å; L184-C188 PolarHBondContact O-N 3.46Å; L184-C188 PolarHBondContact O-SG 2.99Å; D185-C188 PolarHBondContact O-N 2.84Å; A186-C188 PolarHBondContact O-N 2.77Å; C188-F191 PolarHBondContact O-N 3.14Å; C188-K192 WeakPolarHBondContact O-CG 3.47Å; C188-K192 PolarHBondContact O-N 2.92Å
189	R	90.5	Very high	91.3	Very high	40 Å²	40	52.9 Å²	52.9	15%	0.151	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-44.5	176.1	-73.7	-174.8	-72.6	110.5	-5.1	112.2	P25 S26 M99 D185 A186 K192 T193	P25-R189 HydrophobicContact CB-CG 3.69Å; P25-R189 HydrophobicContact CG-CG 4.3Å; S26-R189 WeakPolarHBondContact O-CD 3.41Å; M99-R189 PolarHBondContact SD-NH2 2.93Å; M99-R189 VanDerWaalsContact SD-NH2 3.41Å; D185-R189 WeakPolarHBondContact O-CG 3.32Å; D185-R189 PolarHBondContact O-N 2.97Å; D185-R189 IonicContact OD2-CZ 2.93Å; D185-R189 IonicContact OD2-NE 2.76Å; D185-R189 PolarHBondContact OD2-NE 2.74Å; D185-R189 IonicContact OD2-NH2 3.55Å; D185-R189 PolarHBondContact OD2-NH2 3.39Å; A186-R189 PolarHBondContact O-N 3.21Å; R189-K192 PolarHBondContact O-N 2.97Å; R189-T193 WeakPolarHBondContact O-CB 3.35Å; R189-T193 PolarHBondContact O-N 3.23Å; R189-T193 PolarHBondContact O-OG1 2.86Å
190	A	89.8	Confident	90.9	Very high	28 Å²	28	53.5 Å²	53.5	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-46.2	178.1	0	0	0	0	0	110.7	A186 M187 T193 L194 L212	A186-A190 WeakPolarHBondContact O-CB 3.45Å; A186-A190 PolarHBondContact O-N 3.27Å; M187-A190 PolarHBondContact O-N 3.01Å; A190-T193 PolarHBondContact O-N 3.45Å; A190-L194 WeakPolarHBondContact O-CG 3.21Å; A190-L194 PolarHBondContact O-N 2.68Å; A190-L212 HydrophobicContact CB-CD2 4.19Å
191	F	91	Very high	90.7	Very high	56 Å²	56	57.6 Å²	57.6	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-51.9	176.4	-170.8	-84.8	0	0	0	111.9	P20 M187 C188 T193 L194 D195 I202	P20-F191 HydrophobicContact CB-CD1 4.27Å; P20-F191 HydrophobicContact CB-CE1 4Å; P20-F191 HydrophobicContact CG-CE1 3.96Å; P20-F191 HydrophobicContact CG-CZ 4.43Å; M187-F191 WeakPolarHBondContact O-CB 3.22Å; M187-F191 PolarHBondContact O-N 3.01Å; C188-F191 PolarHBondContact O-N 3.14Å; F191-T193 PolarHBondContact O-N 3.44Å; F191-L194 PolarHBondContact O-N 2.87Å; F191-D195 HydrophobicContact CD1-CB 4.15Å; F191-D195 HydrophobicContact CE1-CB 3.83Å; F191-D195 WeakPolarHBondContact CE1-OD2 3.48Å; F191-D195 WeakPolarHBondContact O-CB 3.41Å; F191-D195 PolarHBondContact O-N 3.1Å; F191-I202 HydrophobicContact CD2-CD1 3.99Å; F191-I202 HydrophobicContact CD2-CG1 4.23Å; F191-I202 HydrophobicContact CD2-CG2 4.05Å; F191-I202 HydrophobicContact CE1-CG2 4.44Å; F191-I202 HydrophobicContact CE2-CB 4.43Å; F191-I202 HydrophobicContact CE2-CD1 4.21Å; F191-I202 HydrophobicContact CE2-CG1 3.93Å; F191-I202 HydrophobicContact CE2-CG2 3.8Å; F191-I202 HydrophobicContact CG-CG2 4.48Å; F191-I202 HydrophobicContact CZ-CG2 4.01Å
192	K	89.3	Confident	90.5	Very high	91 Å²	91	60.2 Å²	60.2	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-30.5	178.9	-74.1	-166.2	-179.1	-160.3	0	113.7	F23 P25 C188 R189 L194	F23-K192 WeakPolarHBondContact O-CE 3.3Å; F23-K192 PolarHBondContact O-NZ 3.22Å; P25-K192 HydrophobicContact CG-CD 3.78Å; C188-K192 WeakPolarHBondContact O-CG 3.47Å; C188-K192 PolarHBondContact O-N 2.92Å; R189-K192 PolarHBondContact O-N 2.97Å; K192-L194 VanDerWaalsContact C-N 3.31Å
193	T	87.9	Confident	90.4	Very high	100 Å²	100	70.1 Å²	70.1	61%	0.613	36%	0.357	S	S	*	.	H	α-helix	trans	-71.2	-30.5	176.8	-59.7	0	0	0	0	111.8	R189 A190 F191	R189-T193 WeakPolarHBondContact O-CB 3.35Å; R189-T193 PolarHBondContact O-N 3.23Å; R189-T193 PolarHBondContact O-OG1 2.86Å; A190-T193 PolarHBondContact O-N 3.45Å; F191-T193 PolarHBondContact O-N 3.44Å
194	L	88.8	Confident	90.3	Very high	77 Å²	77	68.7 Å²	68.7	40%	0.403	36%	0.357	S	S	.	.	H	α-helix	trans	-90.1	-32.8	-178.4	-66.7	171.1	0	0	0	112.7	A190 F191 K192 K196 I202 L212	A190-L194 WeakPolarHBondContact O-CG 3.21Å; A190-L194 PolarHBondContact O-N 2.68Å; F191-L194 PolarHBondContact O-N 2.87Å; K192-L194 VanDerWaalsContact C-N 3.31Å; L194-K196 VanDerWaalsContact C-N 3.32Å; L194-K196 PolarHBondContact O-N 3.33Å; L194-I202 HydrophobicContact CB-CB 4.35Å; L194-I202 HydrophobicContact CB-CG2 3.75Å; L194-I202 HydrophobicContact CD1-CD1 4.06Å; L194-L212 HydrophobicContact CD1-CD1 3.63Å; L194-L212 HydrophobicContact CD1-CD2 4.07Å; L194-L212 HydrophobicContact CD1-CG 4.48Å
195	D	90.7	Very high	90.4	Very high	11 Å²	11	71.6 Å²	71.6	6%	0.059	37%	0.372	C	S	.	.			trans	-81	72.2	177.3	-171.4	8.7	0	0	0	111.3	F191 D197 D198 N199 G200 I202	F191-D195 HydrophobicContact CD1-CB 4.15Å; F191-D195 HydrophobicContact CE1-CB 3.83Å; F191-D195 WeakPolarHBondContact CE1-OD2 3.48Å; F191-D195 WeakPolarHBondContact O-CB 3.41Å; F191-D195 PolarHBondContact O-N 3.1Å; D195-D197 VanDerWaalsContact C-N 3.25Å; D195-D197 PolarHBondContact O-N 2.77Å; D195-D198 PolarHBondContact O-N 2.77Å; D195-D198 PolarHBondContact OD1-N 3Å; D195-D198 VanDerWaalsContact OD1-N 3.13Å; D195-N199 PolarHBondContact OD1-N 2.67Å; D195-N199 PolarHBondContact OD2-N 2.75Å; D195-G200 VanDerWaalsContact OD2-CA 3.32Å; D195-G200 WeakPolarHBondContact OD2-CA 3.39Å; D195-G200 PolarHBondContact OD2-N 2.6Å; D195-I202 HydrophobicContact CB-CG2 3.94Å
196	K	87.5	Confident	90.3	Very high	192 Å²	192	77.3 Å²	77.3	84%	0.835	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.8	-174.3	-67.2	-178.4	-179.6	176.7	0	114	L194	L194-K196 VanDerWaalsContact C-N 3.32Å; L194-K196 PolarHBondContact O-N 3.33Å
197	D	89.5	Confident	90.3	Very high	110 Å²	110	83 Å²	83	59%	0.588	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	5.9	-179.9	60.2	-31.4	0	0	0	113.4	D195 N199	D195-D197 VanDerWaalsContact C-N 3.25Å; D195-D197 PolarHBondContact O-N 2.77Å; D197-N199 PolarHBondContact O-N 3.46Å; D197-N199 PolarHBondContact OD1-ND2 2.94Å; D197-N199 PolarHBondContact OD2-ND2 3.31Å
198	D	86.9	Confident	90.2	Very high	129 Å²	129	83.8 Å²	83.8	69%	0.69	43%	0.43	S	S	*	.			trans	52.9	39	174.3	-160.9	36.8	0	0	0	112.2	D195	D195-D198 PolarHBondContact O-N 2.77Å; D195-D198 PolarHBondContact OD1-N 3Å; D195-D198 VanDerWaalsContact OD1-N 3.13Å
199	N	88.9	Confident	90.2	Very high	81 Å²	81	89.8 Å²	89.8	43%	0.433	45%	0.451	S	S	.	.	S	Bend	trans	-98	-4	-175	78.3	22	0	0	0	112.4	D195 D197 T201	D195-N199 PolarHBondContact OD1-N 2.67Å; D195-N199 PolarHBondContact OD2-N 2.75Å; D197-N199 PolarHBondContact O-N 3.46Å; D197-N199 PolarHBondContact OD1-ND2 2.94Å; D197-N199 PolarHBondContact OD2-ND2 3.31Å; N199-T201 WeakPolarHBondContact OD1-CA 3.42Å; N199-T201 WeakPolarHBondContact OD1-CB 3.16Å; N199-T201 PolarHBondContact OD1-N 3.01Å; N199-T201 PolarHBondContact OD1-O 3.49Å; N199-T201 PolarHBondContact OD1-OG1 2.99Å
200	G	87.2	Confident	90.2	Very high	29 Å²	29	92 Å²	92	30%	0.299	47%	0.466	S	S	.	.	S	Bend	trans	79.9	15.5	-179.6	0	0	0	0	0	114.4	D195	D195-G200 VanDerWaalsContact OD2-CA 3.32Å; D195-G200 WeakPolarHBondContact OD2-CA 3.39Å; D195-G200 PolarHBondContact OD2-N 2.6Å
201	T	89.6	Confident	90	Very high	88 Å²	88	96.1 Å²	96.1	54%	0.54	48%	0.48	S	S	.	.			trans	-139.1	143.3	178.6	70.8	0	0	0	0	112	N199	N199-T201 WeakPolarHBondContact OD1-CA 3.42Å; N199-T201 WeakPolarHBondContact OD1-CB 3.16Å; N199-T201 PolarHBondContact OD1-N 3.01Å; N199-T201 PolarHBondContact OD1-O 3.49Å; N199-T201 PolarHBondContact OD1-OG1 2.99Å
202	I	92.3	Very high	89.8	Confident	55 Å²	55	95.4 Å²	95.4	28%	0.282	48%	0.479	S	S	.	.			trans	-121.1	140.9	175.6	61.2	170.4	0	0	0	110.3	F191 L194 D195 V204	F191-I202 HydrophobicContact CD2-CD1 3.99Å; F191-I202 HydrophobicContact CD2-CG1 4.23Å; F191-I202 HydrophobicContact CD2-CG2 4.05Å; F191-I202 HydrophobicContact CE1-CG2 4.44Å; F191-I202 HydrophobicContact CE2-CB 4.43Å; F191-I202 HydrophobicContact CE2-CD1 4.21Å; F191-I202 HydrophobicContact CE2-CG1 3.93Å; F191-I202 HydrophobicContact CE2-CG2 3.8Å; F191-I202 HydrophobicContact CG-CG2 4.48Å; F191-I202 HydrophobicContact CZ-CG2 4.01Å; L194-I202 HydrophobicContact CB-CB 4.35Å; L194-I202 HydrophobicContact CB-CG2 3.75Å; L194-I202 HydrophobicContact CD1-CD1 4.06Å; D195-I202 HydrophobicContact CB-CG2 3.94Å; I202-V204 HydrophobicContact CD1-CG1 4.17Å
203	K	92.1	Very high	89.8	Confident	210 Å²	210	93.4 Å²	93.4	91%	0.913	47%	0.474	S	S	*	.			trans	-106.2	115.6	172.4	-173.1	-179.7	-179.1	-179.2	0	109.2
204	V	92.9	Very high	89.7	Confident	46 Å²	46	95.9 Å²	95.9	28%	0.279	48%	0.481	S	S	.	.			trans	-125.9	148.7	179.8	-64.2	0	0	0	0	111	I202 E208 W209 L212	I202-V204 HydrophobicContact CD1-CG1 4.17Å; V204-E208 VanDerWaalsContact CA-OE2 3.3Å; V204-E208 WeakPolarHBondContact CA-OE2 3.41Å; V204-E208 HydrophobicContact CB-CB 3.96Å; V204-E208 HydrophobicContact CG1-CB 4.3Å; V204-W209 HydrophobicContact CG2-CB 4.2Å; V204-W209 HydrophobicContact CG2-CE3 4.18Å; V204-L212 HydrophobicContact CG1-CD1 4.09Å
205	N	94	Very high	88.8	Confident	79 Å²	79	97.6 Å²	97.6	42%	0.422	48%	0.483	S	S	.	.			trans	-86.5	174.9	168.2	71.8	53.2	0	0	0	111.1	Q207 E208 W209	N205-Q207 VanDerWaalsContact C-N 3.31Å; N205-Q207 PolarHBondContact O-N 2.81Å; N205-Q207 WeakPolarHBondContact OD1-CA 3.48Å; N205-Q207 WeakPolarHBondContact OD1-CB 3.32Å; N205-Q207 PolarHBondContact OD1-N 3.36Å; N205-E208 VanDerWaalsContact CG-OE2 3.28Å; N205-E208 PolarHBondContact N-OE2 3.06Å; N205-E208 PolarHBondContact ND2-OE1 3.36Å; N205-E208 PolarHBondContact ND2-OE2 3.4Å; N205-E208 PolarHBondContact O-N 3.05Å; N205-E208 PolarHBondContact OD1-N 3.23Å; N205-W209 WeakPolarHBondContact O-CB 3.37Å; N205-W209 PolarHBondContact O-N 3.13Å
206	I	93.4	Very high	87.3	Confident	121 Å²	121	98.4 Å²	98.4	62%	0.621	49%	0.489	S	S	*	.	H	α-helix	trans	-62.3	-35.8	-177	-173.4	58	0	0	0	113.2	L210	I206-L210 HydrophobicContact CD1-CD1 4.36Å; I206-L210 HydrophobicContact CD1-CG 4.23Å; I206-L210 HydrophobicContact CG1-CD1 4.13Å; I206-L210 HydrophobicContact CG1-CG 4.44Å; I206-L210 WeakPolarHBondContact O-CB 3.48Å; I206-L210 VanDerWaalsContact O-CG 3.22Å; I206-L210 WeakPolarHBondContact O-CG 3.28Å; I206-L210 PolarHBondContact O-N 3.27Å
207	Q	91.1	Very high	87.3	Confident	126 Å²	126	93.8 Å²	93.8	59%	0.589	47%	0.472	S	S	*	.	H	α-helix	trans	-68.8	-47.1	179.6	178.6	-178.8	-19.1	0	0	110.5	N205 W209 L210 Q211	N205-Q207 VanDerWaalsContact C-N 3.31Å; N205-Q207 PolarHBondContact O-N 2.81Å; N205-Q207 WeakPolarHBondContact OD1-CA 3.48Å; N205-Q207 WeakPolarHBondContact OD1-CB 3.32Å; N205-Q207 PolarHBondContact OD1-N 3.36Å; Q207-W209 VanDerWaalsContact C-N 3.33Å; Q207-W209 PolarHBondContact O-N 3.32Å; Q207-L210 PolarHBondContact O-N 2.95Å; Q207-Q211 WeakPolarHBondContact O-CG 3.32Å; Q207-Q211 PolarHBondContact O-N 2.58Å
208	E	89.9	Confident	87.1	Confident	80 Å²	80	92.9 Å²	92.9	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-60.4	-43.6	175.7	-69.5	164.4	163	0	0	111	V204 N205 L210 Q211 L212	V204-E208 VanDerWaalsContact CA-OE2 3.3Å; V204-E208 WeakPolarHBondContact CA-OE2 3.41Å; V204-E208 HydrophobicContact CB-CB 3.96Å; V204-E208 HydrophobicContact CG1-CB 4.3Å; N205-E208 VanDerWaalsContact CG-OE2 3.28Å; N205-E208 PolarHBondContact N-OE2 3.06Å; N205-E208 PolarHBondContact ND2-OE1 3.36Å; N205-E208 PolarHBondContact ND2-OE2 3.4Å; N205-E208 PolarHBondContact O-N 3.05Å; N205-E208 PolarHBondContact OD1-N 3.23Å; E208-L210 PolarHBondContact O-N 2.7Å; E208-Q211 PolarHBondContact O-N 3.11Å; E208-L212 WeakPolarHBondContact O-CB 3.41Å; E208-L212 VanDerWaalsContact O-CG 3.26Å; E208-L212 WeakPolarHBondContact O-CG 3.43Å; E208-L212 PolarHBondContact O-N 3.37Å
209	W	90.8	Very high	87.2	Confident	136 Å²	136	90.9 Å²	90.9	52%	0.515	45%	0.454	S	S	.	.	H	α-helix	trans	-59.9	-45.3	176.3	177.8	-105.9	0	0	0	112.7	V204 N205 Q207 L212 T213	V204-W209 HydrophobicContact CG2-CB 4.2Å; V204-W209 HydrophobicContact CG2-CE3 4.18Å; N205-W209 WeakPolarHBondContact O-CB 3.37Å; N205-W209 PolarHBondContact O-N 3.13Å; Q207-W209 VanDerWaalsContact C-N 3.33Å; Q207-W209 PolarHBondContact O-N 3.32Å; W209-L212 PolarHBondContact O-N 3.4Å; W209-T213 HydrophobicContact CD2-CG2 3.96Å; W209-T213 HydrophobicContact CE3-CG2 4.1Å; W209-T213 HydrophobicContact CH2-CG2 3.81Å; W209-T213 HydrophobicContact CZ2-CG2 3.64Å; W209-T213 HydrophobicContact CZ3-CG2 4.03Å; W209-T213 WeakPolarHBondContact O-CB 3.4Å; W209-T213 WeakPolarHBondContact O-CG2 3.48Å; W209-T213 PolarHBondContact O-N 3.33Å; W209-T213 VanDerWaalsContact O-N 3.14Å; W209-T213 PolarHBondContact O-OG1 3Å
210	L	91.3	Very high	87	Confident	88 Å²	88	91.5 Å²	91.5	46%	0.461	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-39.5	178.1	-71.2	172.8	0	0	0	111.5	I206 Q207 E208 L212 T213 M214	I206-L210 HydrophobicContact CD1-CD1 4.36Å; I206-L210 HydrophobicContact CD1-CG 4.23Å; I206-L210 HydrophobicContact CG1-CD1 4.13Å; I206-L210 HydrophobicContact CG1-CG 4.44Å; I206-L210 WeakPolarHBondContact O-CB 3.48Å; I206-L210 VanDerWaalsContact O-CG 3.22Å; I206-L210 WeakPolarHBondContact O-CG 3.28Å; I206-L210 PolarHBondContact O-N 3.27Å; Q207-L210 PolarHBondContact O-N 2.95Å; E208-L210 PolarHBondContact O-N 2.7Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 3.22Å; L210-T213 PolarHBondContact O-N 3.17Å; L210-M214 HydrophobicContact CD2-CG 4.29Å; L210-M214 VanDerWaalsContact O-CB 3.23Å; L210-M214 WeakPolarHBondContact O-CB 3.19Å; L210-M214 WeakPolarHBondContact O-CG 3.26Å; L210-M214 PolarHBondContact O-N 3.19Å
211	Q	85.4	Confident	87	Confident	114 Å²	114	95.4 Å²	95.4	53%	0.533	46%	0.464	S	S	.	.	H	α-helix	trans	-61.1	-43.1	174.8	-73.9	174.8	-28.9	0	0	111.8	Q207 E208 T213 S216	Q207-Q211 WeakPolarHBondContact O-CG 3.32Å; Q207-Q211 PolarHBondContact O-N 2.58Å; E208-Q211 PolarHBondContact O-N 3.11Å; Q211-T213 VanDerWaalsContact C-N 3.33Å; Q211-T213 PolarHBondContact O-N 3.22Å; Q211-S216 PolarHBondContact O-OG 3.01Å
212	L	86.9	Confident	86.9	Confident	41 Å²	41	95.9 Å²	95.9	22%	0.215	46%	0.459	C	S	.	.	H	α-helix	trans	-73	-16.8	-179.4	-71.7	168.9	0	0	0	115.1	A190 L194 V204 E208 W209 L210 S216	A190-L212 HydrophobicContact CB-CD2 4.19Å; L194-L212 HydrophobicContact CD1-CD1 3.63Å; L194-L212 HydrophobicContact CD1-CD2 4.07Å; L194-L212 HydrophobicContact CD1-CG 4.48Å; V204-L212 HydrophobicContact CG1-CD1 4.09Å; E208-L212 WeakPolarHBondContact O-CB 3.41Å; E208-L212 VanDerWaalsContact O-CG 3.26Å; E208-L212 WeakPolarHBondContact O-CG 3.43Å; E208-L212 PolarHBondContact O-N 3.37Å; W209-L212 PolarHBondContact O-N 3.4Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 3.22Å; L212-S216 WeakPolarHBondContact CA-OG 3.37Å; L212-S216 WeakPolarHBondContact O-CB 3.45Å; L212-S216 PolarHBondContact O-OG 3.46Å
213	T	88.8	Confident	86.5	Confident	48 Å²	48	98.8 Å²	98.8	29%	0.294	47%	0.472	S	S	.	.	H	α-helix	trans	-118.1	-24.2	-172.3	54.7	0	0	0	0	114.1	W209 L210 Q211	W209-T213 HydrophobicContact CD2-CG2 3.96Å; W209-T213 HydrophobicContact CE3-CG2 4.1Å; W209-T213 HydrophobicContact CH2-CG2 3.81Å; W209-T213 HydrophobicContact CZ2-CG2 3.64Å; W209-T213 HydrophobicContact CZ3-CG2 4.03Å; W209-T213 WeakPolarHBondContact O-CB 3.4Å; W209-T213 WeakPolarHBondContact O-CG2 3.48Å; W209-T213 PolarHBondContact O-N 3.33Å; W209-T213 VanDerWaalsContact O-N 3.14Å; W209-T213 PolarHBondContact O-OG1 3Å; L210-T213 PolarHBondContact O-N 3.17Å; Q211-T213 VanDerWaalsContact C-N 3.33Å; Q211-T213 PolarHBondContact O-N 3.22Å
214	M	85.1	Confident	86.1	Confident	152 Å²	152	90.2 Å²	90.2	75%	0.749	44%	0.438	S	S	*	.	H	α-helix	trans	-98.6	-27.9	-177.5	-63.9	-64.3	-60.3	0	0	113.6	L210	L210-M214 HydrophobicContact CD2-CG 4.29Å; L210-M214 VanDerWaalsContact O-CB 3.23Å; L210-M214 WeakPolarHBondContact O-CB 3.19Å; L210-M214 WeakPolarHBondContact O-CG 3.26Å; L210-M214 PolarHBondContact O-N 3.19Å
215	Y	69.7	Low	85.5	Confident	113 Å²	113	93.9 Å²	93.9	44%	0.443	45%	0.452	S	S	.	.			trans	-111.1	5.8	-179.3	-157.8	-98	0	0	0	112	A97 D100	A97-Y215 WeakPolarHBondContact CB-O 3.43Å; D100-Y215 PolarHBondContact OD2-OH 3.19Å; D100-Y215 VanDerWaalsContact OD2-OH 3.05Å
216	S	59.3	Low	84.7	Confident	29 Å²	29	95.3 Å²	95.3	20%	0.203	45%	0.454	C	S	.	.			trans	-121.7	0	-177.8	-30.4	0	0	0	0	112.8	V98 R183 M187 Q211 L212	V98-S216 VanDerWaalsContact CG1-C 3.42Å; V98-S216 WeakPolarHBondContact CG1-OXT 3.46Å; R183-S216 VanDerWaalsContact CZ-O 3.27Å; R183-S216 PolarHBondContact NH1-O 3.32Å; R183-S216 PolarHBondContact NH1-OXT 3.21Å; R183-S216 PolarHBondContact NH2-O 3.18Å; M187-S216 WeakPolarHBondContact CE-OXT 3.35Å; Q211-S216 PolarHBondContact O-OG 3.01Å; L212-S216 WeakPolarHBondContact CA-OG 3.37Å; L212-S216 WeakPolarHBondContact O-CB 3.45Å; L212-S216 PolarHBondContact O-OG 3.46Å

Retrieved 216 of 216 residues in 109.5 ms (Link to these results)

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