A0A087YEA1_POEFO Loading...

Thioredoxin-related transmembrane protein 1

AlphaFold DB , UniProt , Accession A0A087YEA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 308 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.7	Very low	42.4	Very low	234 Å²	234	151.5 Å²	151.5	100%	1.153	83%	0.833	S	S	*	*				0	113	0	-74	147	97.2	0	0	105.6
2	D	34.8	Very low	42.4	Very low	168 Å²	168	149.2 Å²	149.2	90%	0.898	84%	0.836	S	S	*	*			trans	-170.1	117.8	141.3	-94.7	-24.5	0	0	0	110.3
3	T	43.4	Very low	42.4	Very low	138 Å²	138	142.8 Å²	142.8	85%	0.847	82%	0.824	S	S	*	*			trans	-78	148.4	171.3	45.3	0	0	0	0	110.1
4	G	38.1	Very low	42.6	Very low	82 Å²	82	144.3 Å²	144.3	85%	0.845	83%	0.825	S	S	*	*			trans	159.9	91.4	159	0	0	0	0	0	116.6
5	R	53	Low	42.3	Very low	212 Å²	212	145.5 Å²	145.5	80%	0.8	82%	0.823	S	S	*	*			trans	-72.2	155.9	165.6	-172.5	178.1	-68.2	-106.2	-1.3	110
6	W	45.3	Very low	42.5	Very low	218 Å²	218	145.8 Å²	145.8	83%	0.826	82%	0.821	S	S	*	*				161.5	121.7	126.2	-75.4	117.7	0	0	0	113.9
7	L	44.2	Very low	42.3	Very low	146 Å²	146	147.8 Å²	147.8	76%	0.764	82%	0.819	S	S	*	*			trans	51.2	128.9	131.7	-63.1	164.5	0	0	0	123.8
8	A	42.8	Very low	42.2	Very low	88 Å²	88	146.8 Å²	146.8	73%	0.727	81%	0.811	S	S	*	*				161.4	122.4	105.8	0	0	0	0	0	108.9
9	S	41	Very low	42	Very low	120 Å²	120	147.7 Å²	147.7	84%	0.839	81%	0.814	S	S	*	*				53.4	132	92.5	-133.8	0	0	0	0	112.9
10	S	41.2	Very low	41.5	Very low	88 Å²	88	144.3 Å²	144.3	62%	0.615	81%	0.814	S	S	*	*			cis	177.1	142.3	40.6	-173.7	0	0	0	0	111.4
11	M	40.2	Very low	41.3	Very low	172 Å²	172	141 Å²	141	85%	0.847	81%	0.812	S	S	*	*			trans	49.4	125.7	134.8	-58.9	177.2	76.2	0	0	125.6
12	S	42.2	Very low	41.1	Very low	124 Å²	124	135.1 Å²	135.1	87%	0.867	80%	0.801	S	S	*	*				165.4	127.6	125	-82	0	0	0	0	108.7
13	G	42.8	Very low	41.5	Very low	66 Å²	66	130.2 Å²	130.2	68%	0.68	79%	0.79	S	S	*	*			cis	103.5	106.6	41.3	0	0	0	0	0	108.6
14	I	44.2	Very low	41.5	Very low	164 Å²	164	131.7 Å²	131.7	84%	0.841	79%	0.792	S	S	*	*				148.4	134.3	104.9	-74.3	151.2	0	0	0	104.8
15	M	38.8	Very low	42.1	Very low	162 Å²	162	139.4 Å²	139.4	80%	0.798	80%	0.795	S	S	*	*				179	141.4	83.3	-156.8	158.3	168.6	0	0	111.7	F17	M15-F17 HydrophobicContact CE-CD2 4.25Å; M15-F17 HydrophobicContact CE-CE2 4.25Å
16	L	44.7	Very low	41.9	Very low	150 Å²	150	134.4 Å²	134.4	79%	0.785	79%	0.793	S	S	*	*			trans	-98.2	143.2	173.2	-111.7	128.5	0	0	0	110.5
17	F	40.4	Very low	42.3	Very low	181 Å²	181	136.6 Å²	136.6	79%	0.794	80%	0.801	S	S	*	*			trans	-170.9	100.6	151.2	-102.8	-78.5	0	0	0	107.4	M15	M15-F17 HydrophobicContact CE-CD2 4.25Å; M15-F17 HydrophobicContact CE-CE2 4.25Å
18	L	39.2	Very low	42.5	Very low	129 Å²	129	135.2 Å²	135.2	68%	0.675	80%	0.799	S	S	*	*				65.5	116.3	90.2	-73.4	178.5	0	0	0	118.2
19	L	39.6	Very low	42.6	Very low	164 Å²	164	135.5 Å²	135.5	86%	0.859	80%	0.795	S	S	*	*			trans	86.2	132.6	133	-69.9	163	0	0	0	123.5
20	G	32.1	Very low	42.8	Very low	79 Å²	79	135.8 Å²	135.8	81%	0.814	79%	0.794	S	S	*	*			trans	100	126.6	152.3	0	0	0	0	0	114.3
21	G	37	Very low	43.2	Very low	75 Å²	75	139.3 Å²	139.3	77%	0.773	80%	0.798	S	S	*	*			cis	127.4	127.6	21.3	0	0	0	0	0	108.8
22	A	37.6	Very low	43.7	Very low	111 Å²	111	138.2 Å²	138.2	92%	0.917	80%	0.795	S	S	*	*			trans	69.4	121.7	178.6	0	0	0	0	0	115.2
23	G	43.2	Very low	44	Very low	65 Å²	65	140.2 Å²	140.2	67%	0.67	80%	0.795	S	S	*	*			cis	107.9	101.4	39.1	0	0	0	0	0	107
24	L	43.6	Very low	44.4	Very low	170 Å²	170	143.4 Å²	143.4	89%	0.89	80%	0.796	S	S	*	*			trans	-175.3	106.5	152.2	-119.8	75.7	0	0	0	110.8
25	R	51.6	Low	44.7	Very low	244 Å²	244	142.2 Å²	142.2	92%	0.921	79%	0.79	S	S	*	*			trans	21.7	114.6	140.5	-63.9	170.6	148.8	-146.9	-6.9	118.1
26	S	47.3	Very low	45.4	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	79%	0.79	S	S	*	*			trans	-156.9	109.1	138.3	-162.5	0	0	0	0	110.8	T28	S26-T28 PolarHBondContact O-N 3.16Å
27	W	53.6	Low	45.5	Very low	263 Å²	263	143.1 Å²	143.1	100%	0.996	80%	0.795	S	S	*	*			trans	-67.6	109	162.3	-90	9.2	0	0	0	108.7
28	T	49	Very low	46.1	Very low	117 Å²	117	145.9 Å²	145.9	72%	0.718	80%	0.8	S	S	*	*			trans	-152.8	120.4	155	42.2	0	0	0	0	112.2	S26	S26-T28 PolarHBondContact O-N 3.16Å
29	C	44.8	Very low	46.8	Very low	95 Å²	95	144.9 Å²	144.9	64%	0.642	80%	0.804	S	S	*	*			trans	68.3	83.9	146.2	-66	0	0	0	0	120.7	F31	C29-F31 PolarHBondContact O-N 2.73Å
30	P	45.8	Very low	47.4	Very low	125 Å²	125	142.9 Å²	142.9	81%	0.812	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	31.8	153.8	38.5	-32.9	0	0	0	111.5
31	F	50.6	Low	48.6	Very low	162 Å²	162	146.8 Å²	146.8	71%	0.711	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	3.4	-172.2	-116.2	-90	0	0	0	114.2	C29	C29-F31 PolarHBondContact O-N 2.73Å
32	L	50.6	Low	49.5	Very low	150 Å²	150	148.5 Å²	148.5	79%	0.785	80%	0.803	S	S	*	*	S	Bend	trans	-112	17.2	-176.3	-108.9	159.7	0	0	0	114.4
33	L	48	Very low	50.2	Low	166 Å²	166	147.9 Å²	147.9	87%	0.869	80%	0.797	S	S	*	*	S	Bend	trans	-119.1	28	168.7	-79.8	174	0	0	0	112.2
34	L	50.3	Low	50.5	Low	132 Å²	132	150.2 Å²	150.2	69%	0.691	80%	0.803	S	S	*	*	S	Bend	trans	-125	13.9	178.4	-108.7	157.7	0	0	0	113.3
35	L	51.8	Low	51.1	Low	139 Å²	139	146.4 Å²	146.4	73%	0.728	80%	0.797	S	S	*	*	S	Bend	trans	-129.3	28.2	-176.3	-76.4	173.7	0	0	0	114.6
36	T	52	Low	51.3	Low	130 Å²	130	142.4 Å²	142.4	80%	0.798	79%	0.786	S	S	*	*	S	Bend	trans	-122.7	7.2	163.8	55.8	0	0	0	0	113.1
37	F	47.9	Very low	51.9	Low	202 Å²	202	142.1 Å²	142.1	89%	0.886	78%	0.781	S	S	*	*	S	Bend	trans	-103.2	35	178.8	-129.6	-92.4	0	0	0	112.3
38	W	53.5	Low	52.9	Low	238 Å²	238	134.7 Å²	134.7	90%	0.902	76%	0.761	S	S	*	*			trans	-141.3	61.1	179.8	-141.8	-35.3	0	0	0	112.4
39	S	52.9	Low	54.8	Low	109 Å²	109	130 Å²	130	76%	0.762	73%	0.733	S	S	*	*			trans	-174.4	63.9	150.9	56.6	0	0	0	0	110.8
40	S	53	Low	57.1	Low	121 Å²	121	126.3 Å²	126.3	85%	0.846	71%	0.707	S	S	*	*			trans	-110.4	84.9	143.2	-67.3	0	0	0	0	105.5	P42	S40-P42 VanDerWaalsContact O-CD 3.29Å; S40-P42 WeakPolarHBondContact O-CD 3.45Å
41	L	57.2	Low	59.4	Low	161 Å²	161	124.7 Å²	124.7	84%	0.843	69%	0.687	S	S	*	*			trans	-55.8	117.2	157.8	-128.1	71.5	0	0	0	104.7	A43	L41-A43 PolarHBondContact O-N 3.39Å
42	P	54.7	Low	61.5	Low	112 Å²	112	121.9 Å²	121.9	73%	0.727	68%	0.676	S	S	*	*			trans	-57.6	117.9	164.6	25.3	-29.6	0	0	0	104.8	S40 S44	S40-P42 VanDerWaalsContact O-CD 3.29Å; S40-P42 WeakPolarHBondContact O-CD 3.45Å; P42-S44 PolarHBondContact O-N 3.25Å
43	A	53.6	Low	63.7	Low	97 Å²	97	115.1 Å²	115.1	80%	0.802	64%	0.641	S	S	*	*			trans	-52.1	111.9	168	0	0	0	0	0	105.3	L41 A45	L41-A43 PolarHBondContact O-N 3.39Å; A43-A45 PolarHBondContact O-N 3.26Å
44	S	49.7	Very low	65.9	Low	114 Å²	114	109.1 Å²	109.1	80%	0.797	61%	0.611	S	S	*	*			trans	-61.9	91.7	175.6	-176.8	0	0	0	0	105.8	P42 K46	P42-S44 PolarHBondContact O-N 3.25Å; S44-K46 PolarHBondContact O-N 2.78Å
45	A	54.2	Low	67.9	Low	90 Å²	90	104.3 Å²	104.3	74%	0.744	59%	0.586	S	S	*	*			trans	-55.7	113.8	164.7	0	0	0	0	0	104.6	A43	A43-A45 PolarHBondContact O-N 3.26Å
46	K	56.6	Low	69.7	Low	161 Å²	161	100.8 Å²	100.8	70%	0.7	58%	0.584	S	S	*	*			trans	-49.6	139.6	170.4	-82.3	-176.3	174	-174.2	0	107.4	S44 D48	S44-K46 PolarHBondContact O-N 2.78Å; K46-D48 PolarHBondContact O-N 3.35Å
47	P	60.8	Low	71.6	Confident	100 Å²	100	98 Å²	98	65%	0.649	56%	0.564	S	S	*	*			trans	-50.1	136.7	170.9	22.9	-31.8	0	0	0	108.5	S49	P47-S49 PolarHBondContact O-N 3.13Å
48	D	74.9	Confident	73.7	Confident	107 Å²	107	89.9 Å²	89.9	57%	0.572	53%	0.528	S	S	*	.			trans	-67.7	105.4	-176.7	-159.2	4.9	0	0	0	108.6	K46 L50	K46-D48 PolarHBondContact O-N 3.35Å; D48-L50 PolarHBondContact O-N 3.34Å
49	S	87.5	Confident	75.5	Confident	18 Å²	18	85 Å²	85	13%	0.126	52%	0.515	C	S	.	.			trans	-65.5	-22.7	-176.3	-34.8	0	0	0	0	111.9	P47 A89 D90	P47-S49 PolarHBondContact O-N 3.13Å; S49-A89 WeakPolarHBondContact CB-O 3.4Å; S49-D90 WeakPolarHBondContact CB-OD1 3.42Å; S49-D90 PolarHBondContact OG-OD1 3.42Å
50	L	93.4	Very high	77.4	Confident	18 Å²	18	85.3 Å²	85.3	9%	0.094	50%	0.502	C	S	.	.			trans	-82.7	114.5	-178.6	-179.7	59.6	0	0	0	111.3	D48 A89 V99 K101	D48-L50 PolarHBondContact O-N 3.34Å; L50-A89 HydrophobicContact CB-CB 3.87Å; L50-A89 HydrophobicContact CD1-CB 4.16Å; L50-V99 HydrophobicContact CD1-CG1 4.04Å; L50-K101 HydrophobicContact CD1-CB 4.41Å; L50-K101 HydrophobicContact CD1-CG 4.28Å; L50-K101 HydrophobicContact CD2-CD 3.89Å; L50-K101 HydrophobicContact CD2-CG 4.33Å; L50-K101 HydrophobicContact CG-CD 4.3Å; L50-K101 HydrophobicContact CG-CG 4.23Å
51	K	94.4	Very high	79.3	Confident	91 Å²	91	79.6 Å²	79.6	40%	0.396	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	143.5	-178.7	-61.7	176.9	-176.8	177.9	0	111.4	W66 N98 V99 A100 K101	K51-W66 HydrophobicContact CB-CZ3 4.38Å; K51-W66 HydrophobicContact CD-CH2 3.78Å; K51-W66 HydrophobicContact CD-CZ3 3.74Å; K51-N98 PolarHBondContact NZ-OD1 3.21Å; K51-V99 PolarHBondContact N-O 3.23Å; K51-A100 HydrophobicContact CB-CB 4.32Å; K51-A100 CarbonylContact O-C 3.46Å; K51-A100 WeakPolarHBondContact O-CA 3.03Å; K51-K101 PolarHBondContact O-N 3.24Å
52	E	94.9	Very high	81	Confident	103 Å²	103	74.1 Å²	74.1	48%	0.481	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.4	171.6	-170.1	168.3	175.9	0	0	109.9
53	V	95.3	Very high	82.8	Confident	8 Å²	8	73.5 Å²	73.5	5%	0.048	43%	0.427	C	S	.	.			trans	-108.2	125.3	-178.4	172.5	0	0	0	0	109.6	W58 I61 A100 K101 V102 L110	V53-W58 HydrophobicContact CG1-CB 4.1Å; V53-I61 HydrophobicContact CG1-CG2 4.12Å; V53-I61 HydrophobicContact CG2-CG2 3.9Å; V53-A100 HydrophobicContact CG2-CB 3.68Å; V53-K101 PolarHBondContact N-O 3.04Å; V53-V102 HydrophobicContact CB-CG2 3.84Å; V53-V102 HydrophobicContact CG1-CG2 4.2Å; V53-L110 HydrophobicContact CG1-CD1 4.1Å
54	T	95.4	Very high	84.7	Confident	40 Å²	40	70.4 Å²	70.4	25%	0.245	41%	0.405	C	S	.	.			trans	-111.1	167.7	-179.8	69.2	0	0	0	0	111.2	G56 D57 W58	T54-G56 PolarHBondContact O-N 3.25Å; T54-G56 PolarHBondContact OG1-N 2.86Å; T54-D57 PolarHBondContact O-N 3.48Å; T54-D57 VanDerWaalsContact O-N 3.12Å; T54-W58 PolarHBondContact O-N 3.31Å; T54-W58 VanDerWaalsContact O-N 3.14Å
55	D	91.1	Very high	86.9	Confident	31 Å²	31	66.5 Å²	66.5	17%	0.166	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.5	173.3	-92.8	-44.6	0	0	0	113.6	G109 L110 K176	D55-G109 VanDerWaalsContact OD1-C 3.27Å; D55-G109 WeakPolarHBondContact OD1-CA 3.48Å; D55-G109 WeakPolarHBondContact OD2-CA 3.49Å; D55-G109 PolarHBondContact OD2-N 3.01Å; D55-L110 WeakPolarHBondContact OD1-CG 3.31Å; D55-L110 PolarHBondContact OD1-N 3.09Å; D55-K176 VanDerWaalsContact CG-CE 3.5Å; D55-K176 WeakPolarHBondContact OD1-CE 3.13Å; D55-K176 IonicContact OD1-NZ 2.7Å; D55-K176 PolarHBondContact OD1-NZ 3.39Å; D55-K176 VanDerWaalsContact OD2-CE 3.29Å; D55-K176 WeakPolarHBondContact OD2-CE 3.29Å; D55-K176 IonicContact OD2-NZ 3.94Å
56	G	90.6	Very high	88.9	Confident	66 Å²	66	63.1 Å²	63.1	68%	0.68	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-23.3	179	0	0	0	0	0	114.6	T54	T54-G56 PolarHBondContact O-N 3.25Å; T54-G56 PolarHBondContact OG1-N 2.86Å
57	D	92.5	Very high	90.8	Very high	70 Å²	70	55.5 Å²	55.5	37%	0.374	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	0.2	-171.5	-76.4	-54.5	0	0	0	113.9	T54 E59 K60	T54-D57 PolarHBondContact O-N 3.48Å; T54-D57 VanDerWaalsContact O-N 3.12Å; D57-E59 PolarHBondContact O-N 3.14Å; D57-E59 VanDerWaalsContact O-N 3.12Å; D57-K60 HydrophobicContact CB-CD 4.24Å; D57-K60 WeakPolarHBondContact O-CB 3.4Å; D57-K60 WeakPolarHBondContact O-CG 3.37Å; D57-K60 PolarHBondContact O-N 3.1Å; D57-K60 VanDerWaalsContact O-N 3.12Å; D57-K60 WeakPolarHBondContact OD1-CE 3.35Å; D57-K60 IonicContact OD1-NZ 3.87Å; D57-K60 PolarHBondContact OD1-NZ 2.99Å
58	W	91.4	Very high	92.5	Very high	33 Å²	33	50.7 Å²	50.7	13%	0.125	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59.8	-26.5	-172.4	80.7	-82	0	0	0	114	V53 T54 K60 I61 M62 L110 R113	V53-W58 HydrophobicContact CG1-CB 4.1Å; T54-W58 PolarHBondContact O-N 3.31Å; T54-W58 VanDerWaalsContact O-N 3.14Å; W58-K60 PolarHBondContact O-N 3.16Å; W58-K60 VanDerWaalsContact O-N 3.09Å; W58-I61 HydrophobicContact CB-CD1 4.31Å; W58-I61 HydrophobicContact CE3-CD1 4.04Å; W58-I61 VanDerWaalsContact O-CD1 3.22Å; W58-I61 WeakPolarHBondContact O-CD1 3.39Å; W58-I61 WeakPolarHBondContact O-CG1 3.24Å; W58-I61 PolarHBondContact O-N 2.94Å; W58-M62 HydrophobicContact CH2-CG 4.29Å; W58-M62 HydrophobicContact CH2-SD 4.31Å; W58-M62 HydrophobicContact CZ3-CG 3.87Å; W58-M62 HydrophobicContact CZ3-SD 3.67Å; W58-L110 HydrophobicContact CB-CD2 3.56Å; W58-L110 HydrophobicContact CG-CD2 3.94Å; W58-R113 VanDerWaalsContact CH2-CZ 3.5Å; W58-R113 VanDerWaalsContact CZ2-CZ 3.44Å; W58-R113 VanDerWaalsContact CZ3-NE 3.34Å
59	E	91.9	Very high	93.6	Very high	135 Å²	135	45.6 Å²	45.6	63%	0.631	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58.8	-25.8	178.5	-65.1	-176.7	178	0	0	112.6	D57 I61 M62	D57-E59 PolarHBondContact O-N 3.14Å; D57-E59 VanDerWaalsContact O-N 3.12Å; E59-I61 PolarHBondContact O-N 2.99Å; E59-M62 VanDerWaalsContact O-CB 3.25Å; E59-M62 WeakPolarHBondContact O-CB 3.25Å; E59-M62 WeakPolarHBondContact O-CG 3.37Å; E59-M62 PolarHBondContact O-N 2.92Å
60	K	92.4	Very high	94	Very high	115 Å²	115	44.8 Å²	44.8	50%	0.5	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59.8	-29.1	176	-66	170	178.6	160.9	0	112.8	D57 W58 M62 T63 W66	D57-K60 HydrophobicContact CB-CD 4.24Å; D57-K60 WeakPolarHBondContact O-CB 3.4Å; D57-K60 WeakPolarHBondContact O-CG 3.37Å; D57-K60 PolarHBondContact O-N 3.1Å; D57-K60 VanDerWaalsContact O-N 3.12Å; D57-K60 WeakPolarHBondContact OD1-CE 3.35Å; D57-K60 IonicContact OD1-NZ 3.87Å; D57-K60 PolarHBondContact OD1-NZ 2.99Å; W58-K60 PolarHBondContact O-N 3.16Å; W58-K60 VanDerWaalsContact O-N 3.09Å; K60-M62 PolarHBondContact O-N 3.39Å; K60-T63 PolarHBondContact O-N 3.48Å; K60-T63 PolarHBondContact O-OG1 3.36Å; K60-W66 HydrophobicContact CB-CZ2 4.36Å; K60-W66 PolarHBondContact O-NE1 3.14Å
61	I	93.5	Very high	94.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-73.7	-12.1	179.7	81.7	-154.5	0	0	0	112.6	V53 W58 E59 T63 W66 I68 F114 C125 F130	V53-I61 HydrophobicContact CG1-CG2 4.12Å; V53-I61 HydrophobicContact CG2-CG2 3.9Å; W58-I61 HydrophobicContact CB-CD1 4.31Å; W58-I61 HydrophobicContact CE3-CD1 4.04Å; W58-I61 VanDerWaalsContact O-CD1 3.22Å; W58-I61 WeakPolarHBondContact O-CD1 3.39Å; W58-I61 WeakPolarHBondContact O-CG1 3.24Å; W58-I61 PolarHBondContact O-N 2.94Å; E59-I61 PolarHBondContact O-N 2.99Å; I61-T63 VanDerWaalsContact C-N 3.26Å; I61-T63 PolarHBondContact O-N 3.01Å; I61-W66 HydrophobicContact CB-CD2 4.3Å; I61-W66 HydrophobicContact CB-CG 4.28Å; I61-W66 HydrophobicContact CG2-CD2 4.19Å; I61-W66 HydrophobicContact CG2-CE3 4.13Å; I61-I68 HydrophobicContact CB-CD1 3.93Å; I61-I68 HydrophobicContact CD1-CD1 3.97Å; I61-I68 HydrophobicContact CG1-CD1 4.16Å; I61-I68 HydrophobicContact CG2-CD1 4.06Å; I61-F114 HydrophobicContact CD1-CE2 4.26Å; I61-F114 HydrophobicContact CD1-CZ 3.81Å; I61-C125 PolarHBondContact O-SG 3.11Å; I61-F130 HydrophobicContact CD1-CE1 4.18Å; I61-F130 HydrophobicContact CD1-CZ 4.21Å; I61-F130 HydrophobicContact CG1-CE1 4.09Å; I61-F130 HydrophobicContact CG1-CZ 3.91Å
62	M	91.4	Very high	94.4	Very high	45 Å²	45	40.9 Å²	40.9	22%	0.222	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-76.8	-15.1	179.9	-61.5	-64.7	-66.6	0	0	112.5	W58 E59 K60 D127 G128 F130	W58-M62 HydrophobicContact CH2-CG 4.29Å; W58-M62 HydrophobicContact CH2-SD 4.31Å; W58-M62 HydrophobicContact CZ3-CG 3.87Å; W58-M62 HydrophobicContact CZ3-SD 3.67Å; E59-M62 VanDerWaalsContact O-CB 3.25Å; E59-M62 WeakPolarHBondContact O-CB 3.25Å; E59-M62 WeakPolarHBondContact O-CG 3.37Å; E59-M62 PolarHBondContact O-N 2.92Å; K60-M62 PolarHBondContact O-N 3.39Å; M62-D127 CarbonylContact O-C 3.57Å; M62-D127 VanDerWaalsContact O-C 3.28Å; M62-G128 PolarHBondContact O-N 2.79Å; M62-F130 HydrophobicContact CE-CE2 4.43Å; M62-F130 HydrophobicContact SD-CE2 3.68Å; M62-F130 HydrophobicContact SD-CZ 3.74Å
63	T	92.2	Very high	94.4	Very high	100 Å²	100	39.2 Å²	39.2	61%	0.613	23%	0.225	S	C	*	.	S	Bend	trans	-118.6	130.3	-175.9	54.4	0	0	0	0	111.1	K60 I61 W66	K60-T63 PolarHBondContact O-N 3.48Å; K60-T63 PolarHBondContact O-OG1 3.36Å; I61-T63 VanDerWaalsContact C-N 3.26Å; I61-T63 PolarHBondContact O-N 3.01Å; T63-W66 PolarHBondContact O-NE1 3.01Å
64	G	93.5	Very high	94.4	Very high	32 Å²	32	47.1 Å²	47.1	33%	0.33	25%	0.254	S	S	.	.	S	Bend	trans	80.3	-161.3	-177.6	0	0	0	0	0	112.6	K126 D127	G64-K126 WeakPolarHBondContact O-CA 3.41Å; G64-D127 PolarHBondContact N-OD1 3.49Å; G64-D127 VanDerWaalsContact N-OD1 3.16Å; G64-D127 PolarHBondContact O-N 2.97Å
65	E	95.8	Very high	94.4	Very high	31 Å²	31	45.9 Å²	45.9	15%	0.145	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.6	-177	-164.8	160.2	-179.2	0	0	110.8	I97 N98 H124 C125 K126 W151	E65-I97 HydrophobicContact CB-CG1 4.39Å; E65-I97 HydrophobicContact CG-CD1 3.89Å; E65-I97 HydrophobicContact CG-CG1 4.04Å; E65-N98 PolarHBondContact O-N 3.4Å; E65-N98 PolarHBondContact O-ND2 3.15Å; E65-N98 VanDerWaalsContact O-ND2 3.14Å; E65-H124 IonicContact OE1-CD2 3.62Å; E65-H124 IonicContact OE1-CE1 2.79Å; E65-H124 IonicContact OE1-NE2 2.73Å; E65-H124 PolarHBondContact OE1-NE2 3.38Å; E65-C125 CarbonylContact C-O 3.44Å; E65-C125 WeakPolarHBondContact CA-O 3.49Å; E65-K126 HydrophobicContact CG-CB 4.47Å; E65-K126 HydrophobicContact CG-CG 4.45Å; E65-K126 IonicContact OE2-NZ 3.54Å; E65-K126 PolarHBondContact OE2-NZ 3.24Å; E65-W151 PolarHBondContact OE1-NE1 3.29Å
66	W	96.3	Very high	94.7	Very high	20 Å²	20	48.4 Å²	48.4	8%	0.076	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.8	-175.7	-66	77	0	0	0	111.6	K51 K60 I61 T63 I68 N98 A100 H124 C125	K51-W66 HydrophobicContact CB-CZ3 4.38Å; K51-W66 HydrophobicContact CD-CH2 3.78Å; K51-W66 HydrophobicContact CD-CZ3 3.74Å; K60-W66 HydrophobicContact CB-CZ2 4.36Å; K60-W66 PolarHBondContact O-NE1 3.14Å; I61-W66 HydrophobicContact CB-CD2 4.3Å; I61-W66 HydrophobicContact CB-CG 4.28Å; I61-W66 HydrophobicContact CG2-CD2 4.19Å; I61-W66 HydrophobicContact CG2-CE3 4.13Å; T63-W66 PolarHBondContact O-NE1 3.01Å; W66-I68 HydrophobicContact CB-CD1 4.35Å; W66-I68 HydrophobicContact CB-CG1 4.16Å; W66-N98 CarbonylContact C-O 3.19Å; W66-N98 WeakPolarHBondContact CA-O 3.48Å; W66-N98 HydrophobicContact CD2-CB 3.35Å; W66-N98 HydrophobicContact CE3-CB 3.3Å; W66-N98 HydrophobicContact CG-CB 3.96Å; W66-N98 HydrophobicContact CH2-CB 3.86Å; W66-N98 HydrophobicContact CZ2-CB 3.89Å; W66-N98 HydrophobicContact CZ3-CB 3.58Å; W66-A100 HydrophobicContact CE3-CB 4.04Å; W66-A100 HydrophobicContact CZ3-CB 4.16Å; W66-H124 CarbonylContact O-C 3.28Å; W66-H124 WeakPolarHBondContact O-CA 3.46Å; W66-C125 HydrophobicContact CB-CB 4.22Å; W66-C125 PolarHBondContact N-O 2.79Å; W66-C125 PolarHBondContact O-N 3.44Å
67	M	96.9	Very high	94.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.5	165.2	-81	-77.2	-80.3	0	0	108.2	W85 F88 I97 N98 V99 A100 I122 H124 F142 F145 V146	M67-W85 HydrophobicContact CB-CH2 3.9Å; M67-W85 HydrophobicContact CB-CZ2 4.18Å; M67-W85 HydrophobicContact CE-CH2 4.05Å; M67-W85 HydrophobicContact CE-CZ3 4.29Å; M67-F88 HydrophobicContact CB-CE1 3.8Å; M67-F88 HydrophobicContact CB-CZ 4.33Å; M67-F88 HydrophobicContact CE-CE1 4.17Å; M67-F88 HydrophobicContact CE-CZ 4.32Å; M67-F88 HydrophobicContact CG-CE1 4.03Å; M67-F88 HydrophobicContact CG-CZ 4.08Å; M67-I97 HydrophobicContact CB-CD1 4.25Å; M67-I97 HydrophobicContact CG-CD1 3.47Å; M67-I97 VanDerWaalsContact CG-CD1 3.47Å; M67-I97 HydrophobicContact CG-CG1 4.45Å; M67-N98 PolarHBondContact N-O 3.41Å; M67-V99 WeakPolarHBondContact O-CA 3.22Å; M67-A100 PolarHBondContact O-N 3.12Å; M67-I122 HydrophobicContact CE-CG2 4.01Å; M67-I122 HydrophobicContact SD-CG2 4.46Å; M67-H124 HydrophobicContact SD-CB 3.8Å; M67-F142 HydrophobicContact CE-CD1 3.91Å; M67-F142 HydrophobicContact CE-CE1 4.5Å; M67-F145 HydrophobicContact CE-CD1 4.4Å; M67-F145 HydrophobicContact SD-CD1 4.38Å; M67-F145 HydrophobicContact SD-CE1 4.26Å; M67-V146 HydrophobicContact CG-CG2 4.41Å
68	I	97	Very high	95.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.8	-168.3	-51.3	163.6	0	0	0	108.8	I61 W66 F70 A100 V102 I122 Y123 C125 F130	I61-I68 HydrophobicContact CB-CD1 3.93Å; I61-I68 HydrophobicContact CD1-CD1 3.97Å; I61-I68 HydrophobicContact CG1-CD1 4.16Å; I61-I68 HydrophobicContact CG2-CD1 4.06Å; W66-I68 HydrophobicContact CB-CD1 4.35Å; W66-I68 HydrophobicContact CB-CG1 4.16Å; I68-F70 HydrophobicContact CB-CE2 4.5Å; I68-F70 HydrophobicContact CG2-CD2 4.36Å; I68-F70 HydrophobicContact CG2-CE2 3.84Å; I68-F70 HydrophobicContact CG2-CZ 4.17Å; I68-A100 WeakPolarHBondContact CA-O 3.22Å; I68-A100 HydrophobicContact CG1-CB 4.46Å; I68-V102 HydrophobicContact CG2-CG2 3.8Å; I68-I122 CarbonylContact O-C 3.59Å; I68-I122 WeakPolarHBondContact O-CA 3.38Å; I68-Y123 PolarHBondContact N-O 2.88Å; I68-Y123 PolarHBondContact O-N 2.84Å; I68-C125 HydrophobicContact CD1-CB 4.42Å; I68-F130 HydrophobicContact CD1-CE1 4.19Å
69	E	97.2	Very high	95.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.5	171.9	-177.8	-164.5	-167.7	0	0	110.3	L81 Q82 W85 A100 K101 V102 I122	E69-L81 HydrophobicContact CG-CD2 4.22Å; E69-L81 WeakPolarHBondContact OE1-CD2 3.31Å; E69-Q82 PolarHBondContact OE1-NE2 3.48Å; E69-Q82 PolarHBondContact OE2-NE2 3.23Å; E69-W85 HydrophobicContact CB-CD2 4.06Å; E69-W85 HydrophobicContact CB-CG 4.46Å; E69-W85 HydrophobicContact CB-CH2 4.34Å; E69-W85 HydrophobicContact CB-CZ2 3.68Å; E69-W85 VanDerWaalsContact OE2-CD1 3.29Å; E69-A100 PolarHBondContact N-O 3.18Å; E69-K101 CarbonylContact O-C 3.49Å; E69-K101 WeakPolarHBondContact O-CA 3.45Å; E69-V102 PolarHBondContact O-N 3.41Å; E69-I122 HydrophobicContact CG-CG1 4.43Å
70	F	97.8	Very high	95.5	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.3	165.5	-66.5	-93.2	0	0	0	109	I68 V102 V104 L110 F114 I116 L119 P120 T121 Y123	I68-F70 HydrophobicContact CB-CE2 4.5Å; I68-F70 HydrophobicContact CG2-CD2 4.36Å; I68-F70 HydrophobicContact CG2-CE2 3.84Å; I68-F70 HydrophobicContact CG2-CZ 4.17Å; F70-V102 HydrophobicContact CD1-CB 3.76Å; F70-V102 HydrophobicContact CD1-CG1 3.79Å; F70-V102 HydrophobicContact CD1-CG2 4.38Å; F70-V102 HydrophobicContact CE1-CB 3.93Å; F70-V102 HydrophobicContact CE1-CG1 3.82Å; F70-V102 HydrophobicContact CE1-CG2 4.1Å; F70-V102 HydrophobicContact CG-CB 4.43Å; F70-V102 HydrophobicContact CZ-CG2 4.46Å; F70-V104 HydrophobicContact CB-CG1 4Å; F70-V104 HydrophobicContact CD1-CG1 3.91Å; F70-V104 HydrophobicContact CG-CG1 4.46Å; F70-L110 HydrophobicContact CE1-CB 4.37Å; F70-F114 HydrophobicContact CE1-CB 4.27Å; F70-F114 HydrophobicContact CE1-CD2 4.01Å; F70-F114 HydrophobicContact CE1-CG 4.17Å; F70-F114 HydrophobicContact CE2-CB 4.45Å; F70-F114 HydrophobicContact CE2-CD1 4.17Å; F70-F114 HydrophobicContact CE2-CG 4.15Å; F70-F114 HydrophobicContact CZ-CB 3.91Å; F70-F114 AromaticContact CZ-CD1 3.88Å; F70-F114 HydrophobicContact CZ-CD1 3.88Å; F70-F114 AromaticContact CZ-CD2 3.53Å; F70-F114 HydrophobicContact CZ-CD2 3.53Å; F70-F114 HydrophobicContact CZ-CE1 4.27Å; F70-F114 AromaticContact CZ-CE2 3.97Å; F70-F114 HydrophobicContact CZ-CE2 3.97Å; F70-F114 AromaticContact CZ-CG 3.48Å; F70-F114 HydrophobicContact CZ-CG 3.48Å; F70-F114 VanDerWaalsContact CZ-CG 3.48Å; F70-F114 HydrophobicContact CZ-CZ 4.31Å; F70-I116 HydrophobicContact CB-CD1 4.1Å; F70-I116 HydrophobicContact CB-CG1 4.19Å; F70-I116 HydrophobicContact CB-CG2 4.22Å; F70-I116 HydrophobicContact CD1-CD1 3.86Å; F70-I116 HydrophobicContact CD1-CG1 3.64Å; F70-I116 HydrophobicContact CD2-CD1 3.64Å; F70-I116 HydrophobicContact CD2-CG1 4.35Å; F70-I116 HydrophobicContact CE1-CD1 4.16Å; F70-I116 HydrophobicContact CE1-CG1 4.05Å; F70-I116 HydrophobicContact CE2-CD1 3.98Å; F70-I116 HydrophobicContact CG-CD1 3.57Å; F70-I116 HydrophobicContact CG-CG1 3.8Å; F70-I116 HydrophobicContact CZ-CD1 4.22Å; F70-L119 HydrophobicContact CB-CD2 4.25Å; F70-L119 VanDerWaalsContact O-CD2 3.3Å; F70-L119 WeakPolarHBondContact O-CD2 3.21Å; F70-P120 WeakPolarHBondContact O-CA 3.12Å; F70-T121 PolarHBondContact N-O 3.28Å; F70-T121 PolarHBondContact O-N 3.32Å; F70-Y123 AromaticContact CD2-CD2 3.97Å; F70-Y123 HydrophobicContact CD2-CD2 3.97Å; F70-Y123 AromaticContact CE2-CD2 3.69Å; F70-Y123 HydrophobicContact CE2-CD2 3.69Å; F70-Y123 HydrophobicContact CE2-CE2 4.37Å
71	Y	97.5	Very high	95.7	Very high	27 Å²	27	43.8 Å²	43.8	11%	0.106	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	168.6	-175.4	82.6	-82.5	0	0	0	111.9	K101 V102 D103 V104	Y71-K101 HydrophobicContact CD1-CB 4.02Å; Y71-K101 HydrophobicContact CE1-CB 3.87Å; Y71-K101 HydrophobicContact CE1-CD 3.74Å; Y71-K101 HydrophobicContact CE1-CG 4.06Å; Y71-V102 VanDerWaalsContact CD1-O 3.25Å; Y71-V102 WeakPolarHBondContact CD1-O 3.29Å; Y71-V102 PolarHBondContact N-O 3.16Å; Y71-D103 HydrophobicContact CE1-CB 4.04Å; Y71-D103 HydrophobicContact CE2-CB 4.48Å; Y71-V104 WeakPolarHBondContact O-CG2 2.79Å; Y71-V104 PolarHBondContact O-N 3.14Å
72	A	97.1	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.			trans	-135.3	144	166.7	0	0	0	0	0	110.5	W74 C75 V104 T105 L119	A72-W74 VanDerWaalsContact C-N 3.26Å; A72-W74 HydrophobicContact CB-CD2 4.08Å; A72-W74 HydrophobicContact CB-CH2 4.33Å; A72-W74 HydrophobicContact CB-CZ2 3.69Å; A72-W74 PolarHBondContact O-N 3.31Å; A72-C75 HydrophobicContact CB-CB 4.31Å; A72-C75 WeakPolarHBondContact O-CB 3.32Å; A72-C75 PolarHBondContact O-N 3.31Å; A72-C75 VanDerWaalsContact O-N 3.08Å; A72-V104 HydrophobicContact CB-CG2 4.18Å; A72-T105 HydrophobicContact CB-CG2 3.84Å; A72-L119 HydrophobicContact CB-CD1 3.47Å; A72-L119 VanDerWaalsContact CB-CD1 3.47Å
73	P	95.8	Very high	95.8	Very high	68 Å²	68	47.1 Å²	47.1	44%	0.442	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.3	-172.7	24.5	-34	0	0	0	113.1	Q79 D103 T105	P73-Q79 PolarHBondContact O-NE2 3.04Å; P73-D103 WeakPolarHBondContact CD-OD2 3.26Å; P73-T105 HydrophobicContact CG-CG2 4.49Å
74	W	94.5	Very high	96	Very high	174 Å²	174	44 Å²	44	66%	0.659	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.9	178	50.1	-100.4	0	0	0	113.6	A72 P76 T105 L119	A72-W74 VanDerWaalsContact C-N 3.26Å; A72-W74 HydrophobicContact CB-CD2 4.08Å; A72-W74 HydrophobicContact CB-CH2 4.33Å; A72-W74 HydrophobicContact CB-CZ2 3.69Å; A72-W74 PolarHBondContact O-N 3.31Å; W74-P76 WeakPolarHBondContact O-CD 3.45Å; W74-T105 VanDerWaalsContact NE1-CG2 3.31Å; W74-L119 HydrophobicContact CH2-CD1 4.26Å; W74-L119 HydrophobicContact CZ2-CD1 4.45Å
75	C	96.4	Very high	96.1	Very high	13 Å²	13	42.5 Å²	42.5	9%	0.088	22%	0.223	C	C	.	.			trans	-85.7	116.5	-176.1	-179.6	0	0	0	0	111.3	A72 A77 C78 Q79	A72-C75 HydrophobicContact CB-CB 4.31Å; A72-C75 WeakPolarHBondContact O-CB 3.32Å; A72-C75 PolarHBondContact O-N 3.31Å; A72-C75 VanDerWaalsContact O-N 3.08Å; C75-A77 VanDerWaalsContact C-N 3.34Å; C75-A77 PolarHBondContact O-N 3.24Å; C75-C78 HydrophobicContact CB-CB 3.88Å; C75-C78 VanDerWaalsContact CB-SG 3.53Å; C75-C78 WeakPolarHBondContact O-CB 3.44Å; C75-C78 PolarHBondContact O-N 3.11Å; C75-C78 VanDerWaalsContact O-N 3.14Å; C75-C78 PolarHBondContact SG-SG 2.99Å; C75-Q79 WeakPolarHBondContact O-CG 3.3Å; C75-Q79 PolarHBondContact O-N 3.32Å; C75-Q79 VanDerWaalsContact O-N 3.12Å
76	P	96.5	Very high	96	Very high	84 Å²	84	45.9 Å²	45.9	55%	0.545	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-37.8	-177.3	-23.9	34.8	0	0	0	113.7	W74 C78 Q79 Q80	W74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-C78 VanDerWaalsContact C-N 3.31Å; P76-C78 PolarHBondContact O-N 3.09Å; P76-Q79 PolarHBondContact O-N 3.08Å; P76-Q80 PolarHBondContact O-N 3.01Å
77	A	96	Very high	95.9	Very high	47 Å²	47	49.5 Å²	49.5	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-34.1	177.7	0	0	0	0	0	112.1	C75 L81	C75-A77 VanDerWaalsContact C-N 3.34Å; C75-A77 PolarHBondContact O-N 3.24Å; A77-L81 PolarHBondContact O-N 2.71Å
78	C	96.8	Very high	95.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-44	174.2	-64.6	0	0	0	0	110.9	C75 P76 Q80 L81 Q82	C75-C78 HydrophobicContact CB-CB 3.88Å; C75-C78 VanDerWaalsContact CB-SG 3.53Å; C75-C78 WeakPolarHBondContact O-CB 3.44Å; C75-C78 PolarHBondContact O-N 3.11Å; C75-C78 VanDerWaalsContact O-N 3.14Å; C75-C78 PolarHBondContact SG-SG 2.99Å; P76-C78 VanDerWaalsContact C-N 3.31Å; P76-C78 PolarHBondContact O-N 3.09Å; C78-Q80 PolarHBondContact O-N 3.39Å; C78-L81 WeakPolarHBondContact O-CA 3.4Å; C78-L81 WeakPolarHBondContact O-CB 3.4Å; C78-L81 PolarHBondContact O-N 2.83Å; C78-Q82 WeakPolarHBondContact O-CG 3.46Å; C78-Q82 PolarHBondContact O-N 3.22Å
79	Q	95.8	Very high	95.7	Very high	116 Å²	116	49.6 Å²	49.6	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-58.3	-37.3	179.9	-67.8	171.8	7.7	0	0	112.4	P73 C75 P76	P73-Q79 PolarHBondContact O-NE2 3.04Å; C75-Q79 WeakPolarHBondContact O-CG 3.3Å; C75-Q79 PolarHBondContact O-N 3.32Å; C75-Q79 VanDerWaalsContact O-N 3.12Å; P76-Q79 PolarHBondContact O-N 3.08Å
80	Q	94.9	Very high	95.5	Very high	151 Å²	151	52.3 Å²	52.3	71%	0.706	27%	0.27	S	S	*	.	H	α-helix	trans	-68.7	-33.9	174.7	-66.7	175.4	17.2	0	0	112.8	P76 C78	P76-Q80 PolarHBondContact O-N 3.01Å; C78-Q80 PolarHBondContact O-N 3.39Å
81	L	96	Very high	95	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-75	-28.8	178.7	-177.6	56.7	0	0	0	112.6	E69 A77 C78 S83 V84 W85 P120 I122 R137 F142	E69-L81 HydrophobicContact CG-CD2 4.22Å; E69-L81 WeakPolarHBondContact OE1-CD2 3.31Å; A77-L81 PolarHBondContact O-N 2.71Å; C78-L81 WeakPolarHBondContact O-CA 3.4Å; C78-L81 WeakPolarHBondContact O-CB 3.4Å; C78-L81 PolarHBondContact O-N 2.83Å; L81-S83 VanDerWaalsContact C-N 3.3Å; L81-S83 PolarHBondContact O-N 3.29Å; L81-V84 HydrophobicContact CD1-CB 4.28Å; L81-V84 PolarHBondContact O-N 2.78Å; L81-V84 VanDerWaalsContact O-N 3.1Å; L81-W85 HydrophobicContact CG-CB 4.5Å; L81-W85 WeakPolarHBondContact O-CB 3.48Å; L81-W85 PolarHBondContact O-N 3.43Å; L81-P120 HydrophobicContact CD2-CB 3.85Å; L81-P120 HydrophobicContact CD2-CG 3.88Å; L81-I122 HydrophobicContact CD2-CD1 3.99Å; L81-R137 HydrophobicContact CD1-CB 3.92Å; L81-F142 HydrophobicContact CD1-CE2 4.03Å; L81-F142 HydrophobicContact CD1-CZ 4.06Å
82	Q	94.4	Very high	94.5	Very high	45 Å²	45	57.5 Å²	57.5	21%	0.21	29%	0.289	C	S	.	.	H	α-helix	trans	-54.1	-41	-174.7	-74.2	-58.1	-68.6	0	0	113.9	E69 C78 K86	E69-Q82 PolarHBondContact OE1-NE2 3.48Å; E69-Q82 PolarHBondContact OE2-NE2 3.23Å; C78-Q82 WeakPolarHBondContact O-CG 3.46Å; C78-Q82 PolarHBondContact O-N 3.22Å; Q82-K86 WeakPolarHBondContact O-CB 3.34Å; Q82-K86 PolarHBondContact O-N 3.48Å
83	S	93.9	Very high	93.9	Very high	73 Å²	73	63.7 Å²	63.7	51%	0.51	32%	0.318	S	S	.	.	H	α-helix	trans	-66.6	-45.6	178.8	57.8	0	0	0	0	111.7	L81 W85 K86 E87	L81-S83 VanDerWaalsContact C-N 3.3Å; L81-S83 PolarHBondContact O-N 3.29Å; S83-W85 VanDerWaalsContact C-N 3.33Å; S83-W85 PolarHBondContact O-N 3.18Å; S83-K86 PolarHBondContact O-N 3.11Å; S83-E87 WeakPolarHBondContact O-CG 3.47Å; S83-E87 PolarHBondContact O-N 3.35Å
84	V	95.6	Very high	93.5	Very high	35 Å²	35	66.9 Å²	66.9	21%	0.212	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-39.9	178.2	-179.2	0	0	0	0	110.9	L81 E87 F88 K139 F142	L81-V84 HydrophobicContact CD1-CB 4.28Å; L81-V84 PolarHBondContact O-N 2.78Å; L81-V84 VanDerWaalsContact O-N 3.1Å; V84-E87 PolarHBondContact O-N 3.25Å; V84-F88 WeakPolarHBondContact O-CB 3.49Å; V84-F88 PolarHBondContact O-N 3.05Å; V84-K139 HydrophobicContact CG1-CB 4Å; V84-K139 VanDerWaalsContact CG1-N 3.31Å; V84-F142 HydrophobicContact CG1-CD2 4.45Å; V84-F142 HydrophobicContact CG1-CE2 4.12Å
85	W	96.3	Very high	93.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-40.2	179.6	-163.4	-114.4	0	0	0	112.1	M67 E69 L81 S83 F88 A89 V99 A100 I122 F142	M67-W85 HydrophobicContact CB-CH2 3.9Å; M67-W85 HydrophobicContact CB-CZ2 4.18Å; M67-W85 HydrophobicContact CE-CH2 4.05Å; M67-W85 HydrophobicContact CE-CZ3 4.29Å; E69-W85 HydrophobicContact CB-CD2 4.06Å; E69-W85 HydrophobicContact CB-CG 4.46Å; E69-W85 HydrophobicContact CB-CH2 4.34Å; E69-W85 HydrophobicContact CB-CZ2 3.68Å; E69-W85 VanDerWaalsContact OE2-CD1 3.29Å; L81-W85 HydrophobicContact CG-CB 4.5Å; L81-W85 WeakPolarHBondContact O-CB 3.48Å; L81-W85 PolarHBondContact O-N 3.43Å; S83-W85 VanDerWaalsContact C-N 3.33Å; S83-W85 PolarHBondContact O-N 3.18Å; W85-F88 HydrophobicContact CD2-CD1 4.44Å; W85-F88 HydrophobicContact CE3-CD1 4.02Å; W85-F88 HydrophobicContact CH2-CD1 4.29Å; W85-F88 HydrophobicContact CH2-CE1 4.2Å; W85-F88 AromaticContact CZ3-CD1 3.94Å; W85-F88 HydrophobicContact CZ3-CD1 3.94Å; W85-F88 HydrophobicContact CZ3-CE1 4.18Å; W85-F88 PolarHBondContact O-N 3.23Å; W85-A89 PolarHBondContact O-N 2.99Å; W85-V99 HydrophobicContact CD2-CG1 4.18Å; W85-V99 VanDerWaalsContact CE2-CG1 3.48Å; W85-V99 HydrophobicContact CH2-CG1 4.48Å; W85-V99 HydrophobicContact CZ2-CG1 3.67Å; W85-A100 PolarHBondContact NE1-O 3.3Å; W85-I122 HydrophobicContact CH2-CD1 4.48Å; W85-I122 HydrophobicContact CH2-CG1 4.48Å; W85-I122 HydrophobicContact CH2-CG2 3.66Å; W85-I122 HydrophobicContact CZ3-CD1 3.97Å; W85-I122 HydrophobicContact CZ3-CG1 4.43Å; W85-I122 HydrophobicContact CZ3-CG2 4.1Å; W85-F142 HydrophobicContact CE3-CD2 4.2Å; W85-F142 AromaticContact CE3-CE2 3.74Å; W85-F142 HydrophobicContact CE3-CE2 3.74Å; W85-F142 AromaticContact CE3-CZ 3.91Å; W85-F142 HydrophobicContact CE3-CZ 3.91Å; W85-F142 HydrophobicContact CZ3-CD1 4.19Å; W85-F142 HydrophobicContact CZ3-CD2 4.18Å; W85-F142 AromaticContact CZ3-CE1 3.86Å; W85-F142 HydrophobicContact CZ3-CE1 3.86Å; W85-F142 AromaticContact CZ3-CE2 3.88Å; W85-F142 HydrophobicContact CZ3-CE2 3.88Å; W85-F142 HydrophobicContact CZ3-CG 4.35Å; W85-F142 AromaticContact CZ3-CZ 3.71Å; W85-F142 HydrophobicContact CZ3-CZ 3.71Å
86	K	94.3	Very high	92.7	Very high	102 Å²	102	64.4 Å²	64.4	44%	0.443	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-45.3	173.7	-173.1	172.7	-175.3	167	0	111.7	Q82 S83 F88 A89 D90	Q82-K86 WeakPolarHBondContact O-CB 3.34Å; Q82-K86 PolarHBondContact O-N 3.48Å; S83-K86 PolarHBondContact O-N 3.11Å; K86-F88 VanDerWaalsContact C-N 3.27Å; K86-F88 PolarHBondContact O-N 3.06Å; K86-A89 WeakPolarHBondContact O-CB 3.4Å; K86-A89 PolarHBondContact O-N 3.26Å; K86-D90 PolarHBondContact O-N 3.05Å; K86-D90 VanDerWaalsContact O-N 3.11Å
87	E	93	Very high	92.6	Very high	96 Å²	96	60.6 Å²	60.6	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-35.6	174.8	-73.3	-175.5	-149.8	0	0	112.5	S83 V84 K139	S83-E87 WeakPolarHBondContact O-CG 3.47Å; S83-E87 PolarHBondContact O-N 3.35Å; V84-E87 PolarHBondContact O-N 3.25Å; E87-K139 HydrophobicContact CB-CD 4.09Å; E87-K139 IonicContact OE2-NZ 3.39Å
88	F	94.9	Very high	92.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-41.2	174	170.4	-118.2	0	0	0	111.7	M67 V84 W85 K86 D90 W91 G92 M95 V99 F142 L143 V146	M67-F88 HydrophobicContact CB-CE1 3.8Å; M67-F88 HydrophobicContact CB-CZ 4.33Å; M67-F88 HydrophobicContact CE-CE1 4.17Å; M67-F88 HydrophobicContact CE-CZ 4.32Å; M67-F88 HydrophobicContact CG-CE1 4.03Å; M67-F88 HydrophobicContact CG-CZ 4.08Å; V84-F88 WeakPolarHBondContact O-CB 3.49Å; V84-F88 PolarHBondContact O-N 3.05Å; W85-F88 HydrophobicContact CD2-CD1 4.44Å; W85-F88 HydrophobicContact CE3-CD1 4.02Å; W85-F88 HydrophobicContact CH2-CD1 4.29Å; W85-F88 HydrophobicContact CH2-CE1 4.2Å; W85-F88 AromaticContact CZ3-CD1 3.94Å; W85-F88 HydrophobicContact CZ3-CD1 3.94Å; W85-F88 HydrophobicContact CZ3-CE1 4.18Å; W85-F88 PolarHBondContact O-N 3.23Å; K86-F88 VanDerWaalsContact C-N 3.27Å; K86-F88 PolarHBondContact O-N 3.06Å; F88-D90 VanDerWaalsContact C-N 3.3Å; F88-D90 PolarHBondContact O-N 3.45Å; F88-W91 PolarHBondContact O-N 3.47Å; F88-W91 VanDerWaalsContact O-N 3.12Å; F88-G92 PolarHBondContact O-N 3.32Å; F88-M95 HydrophobicContact CE2-CE 4.25Å; F88-V99 HydrophobicContact CD1-CB 4.46Å; F88-V99 HydrophobicContact CD1-CG1 3.8Å; F88-V99 HydrophobicContact CD1-CG2 3.77Å; F88-V99 HydrophobicContact CE1-CB 4.39Å; F88-V99 HydrophobicContact CE1-CG1 3.99Å; F88-V99 HydrophobicContact CE1-CG2 3.45Å; F88-V99 VanDerWaalsContact CE1-CG2 3.45Å; F88-V99 HydrophobicContact CZ-CG2 4.04Å; F88-F142 HydrophobicContact CB-CD2 4.24Å; F88-F142 HydrophobicContact CD1-CB 4.22Å; F88-F142 HydrophobicContact CD1-CD2 4.38Å; F88-F142 HydrophobicContact CD1-CG 4.43Å; F88-F142 HydrophobicContact CD2-CB 3.58Å; F88-F142 HydrophobicContact CD2-CG 4.5Å; F88-F142 HydrophobicContact CE1-CB 4.26Å; F88-F142 HydrophobicContact CE2-CB 3.63Å; F88-F142 HydrophobicContact CG-CB 3.9Å; F88-F142 HydrophobicContact CG-CD2 4.17Å; F88-F142 HydrophobicContact CG-CG 4.35Å; F88-F142 HydrophobicContact CZ-CB 3.99Å; F88-L143 HydrophobicContact CD2-CD2 3.98Å; F88-L143 HydrophobicContact CD2-CG 4.41Å; F88-L143 HydrophobicContact CE2-CD2 4.15Å; F88-V146 HydrophobicContact CZ-CG2 4.22Å
89	A	94.9	Very high	92.6	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-40.2	177	0	0	0	0	0	112.8	S49 L50 W85 K86 W91 G92 V99	S49-A89 WeakPolarHBondContact CB-O 3.4Å; L50-A89 HydrophobicContact CB-CB 3.87Å; L50-A89 HydrophobicContact CD1-CB 4.16Å; W85-A89 PolarHBondContact O-N 2.99Å; K86-A89 WeakPolarHBondContact O-CB 3.4Å; K86-A89 PolarHBondContact O-N 3.26Å; A89-W91 PolarHBondContact O-N 3.44Å; A89-G92 PolarHBondContact O-N 3.38Å; A89-G92 VanDerWaalsContact O-N 3.14Å; A89-V99 HydrophobicContact CB-CB 3.71Å; A89-V99 HydrophobicContact CB-CG1 3.8Å; A89-V99 HydrophobicContact CB-CG2 4.31Å
90	D	92.5	Very high	92.6	Very high	57 Å²	57	54.9 Å²	54.9	31%	0.305	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-27.9	177.8	-72.9	-16.3	0	0	0	113.6	S49 K86 F88	S49-D90 WeakPolarHBondContact CB-OD1 3.42Å; S49-D90 PolarHBondContact OG-OD1 3.42Å; K86-D90 PolarHBondContact O-N 3.05Å; K86-D90 VanDerWaalsContact O-N 3.11Å; F88-D90 VanDerWaalsContact C-N 3.3Å; F88-D90 PolarHBondContact O-N 3.45Å
91	W	89	Confident	92.7	Very high	136 Å²	136	49.7 Å²	49.7	52%	0.515	26%	0.26	S	S	.	.	H	α-helix	trans	-93.4	-21.4	175.7	-71	71.1	0	0	0	112.5	F88 A89 E93 D94 M95 K139 L143	F88-W91 PolarHBondContact O-N 3.47Å; F88-W91 VanDerWaalsContact O-N 3.12Å; A89-W91 PolarHBondContact O-N 3.44Å; W91-E93 VanDerWaalsContact C-N 3.3Å; W91-E93 PolarHBondContact O-N 3.03Å; W91-D94 PolarHBondContact O-N 3.41Å; W91-M95 PolarHBondContact O-N 3.47Å; W91-K139 VanDerWaalsContact NE1-NZ 3.15Å; W91-L143 HydrophobicContact CB-CD2 3.9Å
92	G	86.4	Confident	92.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-38.7	179.9	0	0	0	0	0	112.7	F88 A89 D94 M95 G96 I97	F88-G92 PolarHBondContact O-N 3.32Å; A89-G92 PolarHBondContact O-N 3.38Å; A89-G92 VanDerWaalsContact O-N 3.14Å; G92-D94 VanDerWaalsContact C-N 3.34Å; G92-D94 PolarHBondContact O-N 3.4Å; G92-M95 CarbonylContact O-C 3.46Å; G92-M95 PolarHBondContact O-N 3.1Å; G92-M95 VanDerWaalsContact O-N 3.16Å; G92-G96 PolarHBondContact O-N 3.37Å; G92-G96 VanDerWaalsContact O-N 3.1Å; G92-I97 CarbonylContact C-O 3.54Å; G92-I97 VanDerWaalsContact CA-CG2 3.46Å; G92-I97 WeakPolarHBondContact O-CG2 3.36Å; G92-I97 PolarHBondContact O-N 3.47Å; G92-I97 VanDerWaalsContact O-O 3.04Å
93	E	84.1	Confident	92.9	Very high	130 Å²	130	47.8 Å²	47.8	61%	0.607	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-42.3	178.7	-168.2	169.6	-162.8	0	0	112	W91 M95 G96	W91-E93 VanDerWaalsContact C-N 3.3Å; W91-E93 PolarHBondContact O-N 3.03Å; E93-M95 VanDerWaalsContact C-N 3.27Å; E93-M95 PolarHBondContact O-N 3Å; E93-G96 PolarHBondContact O-N 3.46Å; E93-G96 VanDerWaalsContact O-N 3.13Å
94	D	86.7	Confident	92.9	Very high	136 Å²	136	45.2 Å²	45.2	73%	0.727	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.7	177.8	-68.6	-27.8	0	0	0	112.7	W91 G92	W91-D94 PolarHBondContact O-N 3.41Å; G92-D94 VanDerWaalsContact C-N 3.34Å; G92-D94 PolarHBondContact O-N 3.4Å
95	M	86.6	Confident	92.8	Very high	74 Å²	74	46.3 Å²	46.3	37%	0.365	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.3	177.5	-63.3	-174.8	-67.6	0	0	113.3	F88 W91 G92 E93 I97 L143	F88-M95 HydrophobicContact CE2-CE 4.25Å; W91-M95 PolarHBondContact O-N 3.47Å; G92-M95 CarbonylContact O-C 3.46Å; G92-M95 PolarHBondContact O-N 3.1Å; G92-M95 VanDerWaalsContact O-N 3.16Å; E93-M95 VanDerWaalsContact C-N 3.27Å; E93-M95 PolarHBondContact O-N 3Å; M95-I97 VanDerWaalsContact C-N 3.33Å; M95-I97 HydrophobicContact CB-CG2 4.28Å; M95-I97 HydrophobicContact CE-CG2 4.21Å; M95-L143 HydrophobicContact CE-CD2 3.26Å; M95-L143 HydrophobicContact SD-CD2 4Å
96	G	89	Confident	92.7	Very high	60 Å²	60	51.9 Å²	51.9	62%	0.619	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	22.3	-176.6	0	0	0	0	0	114.4	G92 E93	G92-G96 PolarHBondContact O-N 3.37Å; G92-G96 VanDerWaalsContact O-N 3.1Å; E93-G96 PolarHBondContact O-N 3.46Å; E93-G96 VanDerWaalsContact O-N 3.13Å
97	I	94.1	Very high	92.8	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	25%	0.251	C	S	.	.			trans	-106.5	136.6	173.8	-173.9	167.7	0	0	0	111.2	E65 M67 G92 M95 V146	E65-I97 HydrophobicContact CB-CG1 4.39Å; E65-I97 HydrophobicContact CG-CD1 3.89Å; E65-I97 HydrophobicContact CG-CG1 4.04Å; M67-I97 HydrophobicContact CB-CD1 4.25Å; M67-I97 HydrophobicContact CG-CD1 3.47Å; M67-I97 VanDerWaalsContact CG-CD1 3.47Å; M67-I97 HydrophobicContact CG-CG1 4.45Å; G92-I97 CarbonylContact C-O 3.54Å; G92-I97 VanDerWaalsContact CA-CG2 3.46Å; G92-I97 WeakPolarHBondContact O-CG2 3.36Å; G92-I97 PolarHBondContact O-N 3.47Å; G92-I97 VanDerWaalsContact O-O 3.04Å; M95-I97 VanDerWaalsContact C-N 3.33Å; M95-I97 HydrophobicContact CB-CG2 4.28Å; M95-I97 HydrophobicContact CE-CG2 4.21Å; I97-V146 HydrophobicContact CB-CG1 4.39Å; I97-V146 HydrophobicContact CD1-CB 4.37Å; I97-V146 HydrophobicContact CD1-CG1 3.85Å; I97-V146 HydrophobicContact CD1-CG2 3.52Å; I97-V146 HydrophobicContact CG2-CG1 4.28Å
98	N	95.3	Very high	92.8	Very high	41 Å²	41	44.3 Å²	44.3	22%	0.219	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.3	175.5	-59.1	-74.9	0	0	0	110.3	K51 E65 W66 M67	K51-N98 PolarHBondContact NZ-OD1 3.21Å; E65-N98 PolarHBondContact O-N 3.4Å; E65-N98 PolarHBondContact O-ND2 3.15Å; E65-N98 VanDerWaalsContact O-ND2 3.14Å; W66-N98 CarbonylContact C-O 3.19Å; W66-N98 WeakPolarHBondContact CA-O 3.48Å; W66-N98 HydrophobicContact CD2-CB 3.35Å; W66-N98 HydrophobicContact CE3-CB 3.3Å; W66-N98 HydrophobicContact CG-CB 3.96Å; W66-N98 HydrophobicContact CH2-CB 3.86Å; W66-N98 HydrophobicContact CZ2-CB 3.89Å; W66-N98 HydrophobicContact CZ3-CB 3.58Å; M67-N98 PolarHBondContact N-O 3.41Å
99	V	96.5	Very high	92.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.8	175.8	-175.1	0	0	0	0	109.2	L50 K51 M67 W85 F88 A89	L50-V99 HydrophobicContact CD1-CG1 4.04Å; K51-V99 PolarHBondContact N-O 3.23Å; M67-V99 WeakPolarHBondContact O-CA 3.22Å; W85-V99 HydrophobicContact CD2-CG1 4.18Å; W85-V99 VanDerWaalsContact CE2-CG1 3.48Å; W85-V99 HydrophobicContact CH2-CG1 4.48Å; W85-V99 HydrophobicContact CZ2-CG1 3.67Å; F88-V99 HydrophobicContact CD1-CB 4.46Å; F88-V99 HydrophobicContact CD1-CG1 3.8Å; F88-V99 HydrophobicContact CD1-CG2 3.77Å; F88-V99 HydrophobicContact CE1-CB 4.39Å; F88-V99 HydrophobicContact CE1-CG1 3.99Å; F88-V99 HydrophobicContact CE1-CG2 3.45Å; F88-V99 VanDerWaalsContact CE1-CG2 3.45Å; F88-V99 HydrophobicContact CZ-CG2 4.04Å; A89-V99 HydrophobicContact CB-CB 3.71Å; A89-V99 HydrophobicContact CB-CG1 3.8Å; A89-V99 HydrophobicContact CB-CG2 4.31Å
100	A	96.6	Very high	92.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	157.1	-175.8	0	0	0	0	0	112.9	K51 V53 W66 M67 I68 E69 W85	K51-A100 HydrophobicContact CB-CB 4.32Å; K51-A100 CarbonylContact O-C 3.46Å; K51-A100 WeakPolarHBondContact O-CA 3.03Å; V53-A100 HydrophobicContact CG2-CB 3.68Å; W66-A100 HydrophobicContact CE3-CB 4.04Å; W66-A100 HydrophobicContact CZ3-CB 4.16Å; M67-A100 PolarHBondContact O-N 3.12Å; I68-A100 WeakPolarHBondContact CA-O 3.22Å; I68-A100 HydrophobicContact CG1-CB 4.46Å; E69-A100 PolarHBondContact N-O 3.18Å; W85-A100 PolarHBondContact NE1-O 3.3Å
101	K	96.4	Very high	92.8	Very high	42 Å²	42	42.3 Å²	42.3	18%	0.183	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.3	169.3	61.3	170.7	176.9	173.4	0	111	L50 K51 V53 E69 Y71	L50-K101 HydrophobicContact CD1-CB 4.41Å; L50-K101 HydrophobicContact CD1-CG 4.28Å; L50-K101 HydrophobicContact CD2-CD 3.89Å; L50-K101 HydrophobicContact CD2-CG 4.33Å; L50-K101 HydrophobicContact CG-CD 4.3Å; L50-K101 HydrophobicContact CG-CG 4.23Å; K51-K101 PolarHBondContact O-N 3.24Å; V53-K101 PolarHBondContact N-O 3.04Å; E69-K101 CarbonylContact O-C 3.49Å; E69-K101 WeakPolarHBondContact O-CA 3.45Å; Y71-K101 HydrophobicContact CD1-CB 4.02Å; Y71-K101 HydrophobicContact CE1-CB 3.87Å; Y71-K101 HydrophobicContact CE1-CD 3.74Å; Y71-K101 HydrophobicContact CE1-CG 4.06Å
102	V	97.4	Very high	92.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121.6	178.1	179	0	0	0	0	108.8	V53 I68 E69 F70 Y71 V104 Q107 L110	V53-V102 HydrophobicContact CB-CG2 3.84Å; V53-V102 HydrophobicContact CG1-CG2 4.2Å; I68-V102 HydrophobicContact CG2-CG2 3.8Å; E69-V102 PolarHBondContact O-N 3.41Å; F70-V102 HydrophobicContact CD1-CB 3.76Å; F70-V102 HydrophobicContact CD1-CG1 3.79Å; F70-V102 HydrophobicContact CD1-CG2 4.38Å; F70-V102 HydrophobicContact CE1-CB 3.93Å; F70-V102 HydrophobicContact CE1-CG1 3.82Å; F70-V102 HydrophobicContact CE1-CG2 4.1Å; F70-V102 HydrophobicContact CG-CB 4.43Å; F70-V102 HydrophobicContact CZ-CG2 4.46Å; Y71-V102 VanDerWaalsContact CD1-O 3.25Å; Y71-V102 WeakPolarHBondContact CD1-O 3.29Å; Y71-V102 PolarHBondContact N-O 3.16Å; V102-V104 PolarHBondContact O-N 3.4Å; V102-Q107 HydrophobicContact CG1-CB 4.23Å; V102-Q107 HydrophobicContact CG1-CG 4.46Å; V102-L110 HydrophobicContact CG1-CB 4.03Å; V102-L110 HydrophobicContact CG1-CD1 3.63Å; V102-L110 HydrophobicContact CG1-CG 4.49Å; V102-L110 HydrophobicContact CG2-CD1 4.18Å
103	D	96.8	Very high	93.2	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	111.2	170.9	-166.4	-34	0	0	0	110.2	Y71 P73 T105 E106 Q107	Y71-D103 HydrophobicContact CE1-CB 4.04Å; Y71-D103 HydrophobicContact CE2-CB 4.48Å; P73-D103 WeakPolarHBondContact CD-OD2 3.26Å; D103-T105 PolarHBondContact O-N 3.11Å; D103-T105 WeakPolarHBondContact OD1-CA 3.29Å; D103-T105 VanDerWaalsContact OD1-CB 3.27Å; D103-T105 WeakPolarHBondContact OD1-CB 3.44Å; D103-T105 PolarHBondContact OD1-N 3.4Å; D103-T105 PolarHBondContact OD1-OG1 3.24Å; D103-E106 HydrophobicContact CB-CB 4.43Å; D103-E106 HydrophobicContact CB-CG 4.49Å; D103-E106 PolarHBondContact O-N 3.4Å; D103-Q107 WeakPolarHBondContact O-CB 3.22Å; D103-Q107 WeakPolarHBondContact O-CG 3.41Å; D103-Q107 PolarHBondContact O-N 2.7Å
104	V	95.4	Very high	93.6	Very high	19 Å²	19	31 Å²	31	12%	0.115	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14	-179.5	-58	0	0	0	0	113.4	F70 Y71 A72 V102 I116 L119	F70-V104 HydrophobicContact CB-CG1 4Å; F70-V104 HydrophobicContact CD1-CG1 3.91Å; F70-V104 HydrophobicContact CG-CG1 4.46Å; Y71-V104 WeakPolarHBondContact O-CG2 2.79Å; Y71-V104 PolarHBondContact O-N 3.14Å; A72-V104 HydrophobicContact CB-CG2 4.18Å; V102-V104 PolarHBondContact O-N 3.4Å; V104-I116 HydrophobicContact CG1-CG2 4.29Å; V104-L119 HydrophobicContact CG1-CD2 4.16Å; V104-L119 HydrophobicContact CG2-CD1 3.82Å; V104-L119 HydrophobicContact CG2-CD2 4.06Å
105	T	92.9	Very high	93.8	Very high	58 Å²	58	28.1 Å²	28.1	36%	0.356	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-33.3	177.4	71.1	0	0	0	0	111.9	A72 P73 W74 D103	A72-T105 HydrophobicContact CB-CG2 3.84Å; P73-T105 HydrophobicContact CG-CG2 4.49Å; W74-T105 VanDerWaalsContact NE1-CG2 3.31Å; D103-T105 PolarHBondContact O-N 3.11Å; D103-T105 WeakPolarHBondContact OD1-CA 3.29Å; D103-T105 VanDerWaalsContact OD1-CB 3.27Å; D103-T105 WeakPolarHBondContact OD1-CB 3.44Å; D103-T105 PolarHBondContact OD1-N 3.4Å; D103-T105 PolarHBondContact OD1-OG1 3.24Å
106	E	94.3	Very high	94.1	Very high	118 Å²	118	25.6 Å²	25.6	55%	0.551	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-29.9	178.3	-59.9	-161.9	161.7	0	0	112.6	D103 P108	D103-E106 HydrophobicContact CB-CB 4.43Å; D103-E106 HydrophobicContact CB-CG 4.49Å; D103-E106 PolarHBondContact O-N 3.4Å; E106-P108 WeakPolarHBondContact O-CD 3.49Å
107	Q	95.8	Very high	94.3	Very high	28 Å²	28	28.4 Å²	28.4	13%	0.131	15%	0.152	C	C	.	.			trans	-111.7	70.1	-174.9	-50.9	-59.3	-36	0	0	111.9	V102 D103 G109 L110 S111	V102-Q107 HydrophobicContact CG1-CB 4.23Å; V102-Q107 HydrophobicContact CG1-CG 4.46Å; D103-Q107 WeakPolarHBondContact O-CB 3.22Å; D103-Q107 WeakPolarHBondContact O-CG 3.41Å; D103-Q107 PolarHBondContact O-N 2.7Å; Q107-G109 PolarHBondContact O-N 3.12Å; Q107-L110 HydrophobicContact CB-CB 4.18Å; Q107-L110 HydrophobicContact CB-CD1 4.1Å; Q107-L110 HydrophobicContact CB-CG 4.34Å; Q107-L110 HydrophobicContact CG-CD1 4.44Å; Q107-L110 PolarHBondContact O-N 3.12Å; Q107-S111 PolarHBondContact O-N 2.7Å; Q107-S111 VanDerWaalsContact O-N 3.12Å
108	P	93	Very high	94.3	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.065	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-25.7	-177.6	28.6	-36.1	0	0	0	112.6	E106 S111 G112 F175 M179	E106-P108 WeakPolarHBondContact O-CD 3.49Å; P108-S111 PolarHBondContact O-N 2.78Å; P108-G112 PolarHBondContact O-N 3.14Å; P108-F175 WeakPolarHBondContact O-CB 3.31Å; P108-M179 HydrophobicContact CB-CB 4.31Å; P108-M179 HydrophobicContact CB-CG 3.64Å; P108-M179 HydrophobicContact CG-CB 4.2Å; P108-M179 HydrophobicContact CG-CG 4.01Å
109	G	93.8	Very high	94.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-45.3	175.7	0	0	0	0	0	112.9	D55 Q107 G112 R113 S172	D55-G109 VanDerWaalsContact OD1-C 3.27Å; D55-G109 WeakPolarHBondContact OD1-CA 3.48Å; D55-G109 WeakPolarHBondContact OD2-CA 3.49Å; D55-G109 PolarHBondContact OD2-N 3.01Å; Q107-G109 PolarHBondContact O-N 3.12Å; G109-G112 PolarHBondContact O-N 3.28Å; G109-R113 VanDerWaalsContact O-CB 3.27Å; G109-R113 WeakPolarHBondContact O-CB 3.33Å; G109-R113 PolarHBondContact O-N 3.36Å; G109-S172 VanDerWaalsContact C-OG 3.24Å; G109-S172 VanDerWaalsContact CA-OG 3.25Å; G109-S172 WeakPolarHBondContact CA-OG 3.25Å; G109-S172 WeakPolarHBondContact O-CB 3.21Å; G109-S172 PolarHBondContact O-OG 3.39Å
110	L	94.3	Very high	94.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-41.2	175	-69.8	179.5	0	0	0	111.7	V53 D55 W58 F70 V102 Q107 G112 R113 F114	V53-L110 HydrophobicContact CG1-CD1 4.1Å; D55-L110 WeakPolarHBondContact OD1-CG 3.31Å; D55-L110 PolarHBondContact OD1-N 3.09Å; W58-L110 HydrophobicContact CB-CD2 3.56Å; W58-L110 HydrophobicContact CG-CD2 3.94Å; F70-L110 HydrophobicContact CE1-CB 4.37Å; V102-L110 HydrophobicContact CG1-CB 4.03Å; V102-L110 HydrophobicContact CG1-CD1 3.63Å; V102-L110 HydrophobicContact CG1-CG 4.49Å; V102-L110 HydrophobicContact CG2-CD1 4.18Å; Q107-L110 HydrophobicContact CB-CB 4.18Å; Q107-L110 HydrophobicContact CB-CD1 4.1Å; Q107-L110 HydrophobicContact CB-CG 4.34Å; Q107-L110 HydrophobicContact CG-CD1 4.44Å; Q107-L110 PolarHBondContact O-N 3.12Å; L110-G112 VanDerWaalsContact C-N 3.27Å; L110-G112 PolarHBondContact O-N 2.92Å; L110-R113 PolarHBondContact O-N 2.84Å; L110-F114 HydrophobicContact CD2-CE2 4.24Å; L110-F114 WeakPolarHBondContact O-CD2 3.4Å; L110-F114 PolarHBondContact O-N 2.79Å
111	S	93.6	Very high	94.4	Very high	16 Å²	16	31.6 Å²	31.6	11%	0.112	17%	0.173	C	C	.	.	H	α-helix	trans	-56	-43.6	174.1	-171.7	0	0	0	0	111.9	Q107 P108 I115 I116	Q107-S111 PolarHBondContact O-N 2.7Å; Q107-S111 VanDerWaalsContact O-N 3.12Å; P108-S111 PolarHBondContact O-N 2.78Å; S111-I115 WeakPolarHBondContact O-CA 3.26Å; S111-I115 PolarHBondContact O-N 3.14Å; S111-I115 VanDerWaalsContact O-N 3.17Å; S111-I116 PolarHBondContact O-N 3.42Å
112	G	91.8	Very high	94.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.7	-39.7	176.5	0	0	0	0	0	113.3	P108 G109 L110 F114 I115	P108-G112 PolarHBondContact O-N 3.14Å; G109-G112 PolarHBondContact O-N 3.28Å; L110-G112 VanDerWaalsContact C-N 3.27Å; L110-G112 PolarHBondContact O-N 2.92Å; G112-F114 VanDerWaalsContact C-N 3.32Å; G112-F114 PolarHBondContact O-N 3.11Å; G112-I115 PolarHBondContact O-N 3.12Å
113	R	92.7	Very high	94.4	Very high	15 Å²	15	30.9 Å²	30.9	6%	0.057	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-34.1	-178.4	-169.3	175.8	-168.2	73.3	-1.6	113.1	W58 G109 L110 P163 M168	W58-R113 VanDerWaalsContact CH2-CZ 3.5Å; W58-R113 VanDerWaalsContact CZ2-CZ 3.44Å; W58-R113 VanDerWaalsContact CZ3-NE 3.34Å; G109-R113 VanDerWaalsContact O-CB 3.27Å; G109-R113 WeakPolarHBondContact O-CB 3.33Å; G109-R113 PolarHBondContact O-N 3.36Å; L110-R113 PolarHBondContact O-N 2.84Å; R113-P163 HydrophobicContact CG-CB 3.66Å; R113-P163 WeakPolarHBondContact CG-O 3.4Å; R113-P163 PolarHBondContact NE-O 3.06Å; R113-P163 PolarHBondContact NH1-O 2.83Å; R113-P163 VanDerWaalsContact NH1-O 3.15Å; R113-P163 PolarHBondContact NH2-O 3.29Å; R113-M168 HydrophobicContact CG-CB 4.26Å; R113-M168 WeakPolarHBondContact O-CG 3.01Å
114	F	92.5	Very high	94.3	Very high	14 Å²	14	30.3 Å²	30.3	6%	0.061	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-0.2	177.7	-75	-93.2	0	0	0	113.3	I61 F70 L110 G112 I116 Y123 F130 P163	I61-F114 HydrophobicContact CD1-CE2 4.26Å; I61-F114 HydrophobicContact CD1-CZ 3.81Å; F70-F114 HydrophobicContact CE1-CB 4.27Å; F70-F114 HydrophobicContact CE1-CD2 4.01Å; F70-F114 HydrophobicContact CE1-CG 4.17Å; F70-F114 HydrophobicContact CE2-CB 4.45Å; F70-F114 HydrophobicContact CE2-CD1 4.17Å; F70-F114 HydrophobicContact CE2-CG 4.15Å; F70-F114 HydrophobicContact CZ-CB 3.91Å; F70-F114 AromaticContact CZ-CD1 3.88Å; F70-F114 HydrophobicContact CZ-CD1 3.88Å; F70-F114 AromaticContact CZ-CD2 3.53Å; F70-F114 HydrophobicContact CZ-CD2 3.53Å; F70-F114 HydrophobicContact CZ-CE1 4.27Å; F70-F114 AromaticContact CZ-CE2 3.97Å; F70-F114 HydrophobicContact CZ-CE2 3.97Å; F70-F114 AromaticContact CZ-CG 3.48Å; F70-F114 HydrophobicContact CZ-CG 3.48Å; F70-F114 VanDerWaalsContact CZ-CG 3.48Å; F70-F114 HydrophobicContact CZ-CZ 4.31Å; L110-F114 HydrophobicContact CD2-CE2 4.24Å; L110-F114 WeakPolarHBondContact O-CD2 3.4Å; L110-F114 PolarHBondContact O-N 2.79Å; G112-F114 VanDerWaalsContact C-N 3.32Å; G112-F114 PolarHBondContact O-N 3.11Å; F114-I116 VanDerWaalsContact C-N 3.31Å; F114-I116 HydrophobicContact CB-CD1 3.6Å; F114-I116 HydrophobicContact CB-CG1 3.91Å; F114-I116 PolarHBondContact O-N 2.93Å; F114-Y123 HydrophobicContact CD1-CD2 4.36Å; F114-Y123 HydrophobicContact CD1-CE2 4.43Å; F114-F130 AromaticContact CE1-CD1 3.56Å; F114-F130 HydrophobicContact CE1-CD1 3.56Å; F114-F130 AromaticContact CE1-CE1 3.48Å; F114-F130 HydrophobicContact CE1-CE1 3.48Å; F114-F130 VanDerWaalsContact CE1-CE1 3.48Å; F114-F130 HydrophobicContact CE1-CG 4.23Å; F114-F130 HydrophobicContact CE1-CZ 4.14Å; F114-F130 HydrophobicContact CZ-CD1 4.19Å; F114-F130 AromaticContact CZ-CE1 3.61Å; F114-F130 HydrophobicContact CZ-CE1 3.61Å; F114-F130 AromaticContact CZ-CZ 4Å; F114-F130 HydrophobicContact CZ-CZ 4Å; F114-P163 HydrophobicContact CD1-CB 4.44Å; F114-P163 HydrophobicContact CD1-CG 4.5Å; F114-P163 HydrophobicContact CD2-CB 4.39Å; F114-P163 HydrophobicContact CE1-CB 4Å; F114-P163 HydrophobicContact CE1-CG 3.78Å; F114-P163 HydrophobicContact CE2-CB 3.95Å; F114-P163 HydrophobicContact CE2-CG 4.48Å; F114-P163 HydrophobicContact CZ-CB 3.73Å; F114-P163 HydrophobicContact CZ-CG 3.77Å
115	I	91	Very high	94.3	Very high	75 Å²	75	29.4 Å²	29.4	39%	0.385	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	55.5	-175	-50.6	163	0	0	0	110.5	S111 G112 T117 F161 M168	S111-I115 WeakPolarHBondContact O-CA 3.26Å; S111-I115 PolarHBondContact O-N 3.14Å; S111-I115 VanDerWaalsContact O-N 3.17Å; G112-I115 PolarHBondContact O-N 3.12Å; I115-T117 HydrophobicContact CG2-CG2 4.14Å; I115-T117 PolarHBondContact O-N 2.99Å; I115-T117 VanDerWaalsContact O-N 3.09Å; I115-F161 HydrophobicContact CD1-CD1 4.25Å; I115-M168 HydrophobicContact CD1-CE 3.59Å; I115-M168 HydrophobicContact CD1-SD 3.49Å; I115-M168 WeakPolarHBondContact CD1-SD 3.49Å; I115-M168 HydrophobicContact CG1-CE 4.35Å; I115-M168 HydrophobicContact CG1-SD 3.71Å
116	I	93.9	Very high	94.4	Very high	22 Å²	22	29.3 Å²	29.3	11%	0.113	16%	0.156	C	C	.	.			trans	-71.8	108.7	179.6	-54.8	-58.6	0	0	0	109	F70 V104 S111 F114 L119 T121 Y123	F70-I116 HydrophobicContact CB-CD1 4.1Å; F70-I116 HydrophobicContact CB-CG1 4.19Å; F70-I116 HydrophobicContact CB-CG2 4.22Å; F70-I116 HydrophobicContact CD1-CD1 3.86Å; F70-I116 HydrophobicContact CD1-CG1 3.64Å; F70-I116 HydrophobicContact CD2-CD1 3.64Å; F70-I116 HydrophobicContact CD2-CG1 4.35Å; F70-I116 HydrophobicContact CE1-CD1 4.16Å; F70-I116 HydrophobicContact CE1-CG1 4.05Å; F70-I116 HydrophobicContact CE2-CD1 3.98Å; F70-I116 HydrophobicContact CG-CD1 3.57Å; F70-I116 HydrophobicContact CG-CG1 3.8Å; F70-I116 HydrophobicContact CZ-CD1 4.22Å; V104-I116 HydrophobicContact CG1-CG2 4.29Å; S111-I116 PolarHBondContact O-N 3.42Å; F114-I116 VanDerWaalsContact C-N 3.31Å; F114-I116 HydrophobicContact CB-CD1 3.6Å; F114-I116 HydrophobicContact CB-CG1 3.91Å; F114-I116 PolarHBondContact O-N 2.93Å; I116-L119 HydrophobicContact CG2-CD2 3.74Å; I116-T121 HydrophobicContact CD1-CG2 4.14Å; I116-Y123 HydrophobicContact CD1-CD2 4.48Å; I116-Y123 HydrophobicContact CD1-CE2 3.83Å
117	T	91.4	Very high	94.3	Very high	119 Å²	119	28.9 Å²	28.9	73%	0.73	16%	0.158	S	C	*	.			trans	-101.6	-20.5	-179.6	53.9	0	0	0	0	113.5	I115	I115-T117 HydrophobicContact CG2-CG2 4.14Å; I115-T117 PolarHBondContact O-N 2.99Å; I115-T117 VanDerWaalsContact O-N 3.09Å
118	S	94.8	Very high	94.1	Very high	62 Å²	62	28.6 Å²	28.6	43%	0.434	16%	0.162	S	C	.	.	S	Bend	trans	-144	154.6	-179.5	63.1	0	0	0	0	111.7	T121	S118-T121 WeakPolarHBondContact O-CB 3.46Å; S118-T121 PolarHBondContact O-OG1 2.76Å
119	L	96.6	Very high	94.1	Very high	43 Å²	43	31.9 Å²	31.9	23%	0.225	18%	0.178	C	C	.	.	S	Bend	trans	-127.9	148.2	-178.4	-61.5	172.3	0	0	0	110.8	F70 A72 W74 V104 I116	F70-L119 HydrophobicContact CB-CD2 4.25Å; F70-L119 VanDerWaalsContact O-CD2 3.3Å; F70-L119 WeakPolarHBondContact O-CD2 3.21Å; A72-L119 HydrophobicContact CB-CD1 3.47Å; A72-L119 VanDerWaalsContact CB-CD1 3.47Å; W74-L119 HydrophobicContact CH2-CD1 4.26Å; W74-L119 HydrophobicContact CZ2-CD1 4.45Å; V104-L119 HydrophobicContact CG1-CD2 4.16Å; V104-L119 HydrophobicContact CG2-CD1 3.82Å; V104-L119 HydrophobicContact CG2-CD2 4.06Å; I116-L119 HydrophobicContact CG2-CD2 3.74Å
120	P	96.4	Very high	94.1	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.019	18%	0.179	C	C	.	.	S	Bend	cis	-72	139.9	-13.9	28.6	-31.8	0	0	0	110.9	F70 L81 R137	F70-P120 WeakPolarHBondContact O-CA 3.12Å; L81-P120 HydrophobicContact CD2-CB 3.85Å; L81-P120 HydrophobicContact CD2-CG 3.88Å; P120-R137 PolarHBondContact O-NH2 3.15Å
121	T	97.1	Very high	94.1	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.2	172.4	-74.5	0	0	0	0	109.1	F70 I116 S118 Y123	F70-T121 PolarHBondContact N-O 3.28Å; F70-T121 PolarHBondContact O-N 3.32Å; I116-T121 HydrophobicContact CD1-CG2 4.14Å; S118-T121 WeakPolarHBondContact O-CB 3.46Å; S118-T121 PolarHBondContact O-OG1 2.76Å; T121-Y123 HydrophobicContact CG2-CD2 3.83Å; T121-Y123 HydrophobicContact CG2-CE2 3.38Å
122	I	97.4	Very high	94.2	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.2	-177.2	-58.6	167.7	0	0	0	108.9	M67 I68 E69 L81 W85 Y133 R137 F142	M67-I122 HydrophobicContact CE-CG2 4.01Å; M67-I122 HydrophobicContact SD-CG2 4.46Å; I68-I122 CarbonylContact O-C 3.59Å; I68-I122 WeakPolarHBondContact O-CA 3.38Å; E69-I122 HydrophobicContact CG-CG1 4.43Å; L81-I122 HydrophobicContact CD2-CD1 3.99Å; W85-I122 HydrophobicContact CH2-CD1 4.48Å; W85-I122 HydrophobicContact CH2-CG1 4.48Å; W85-I122 HydrophobicContact CH2-CG2 3.66Å; W85-I122 HydrophobicContact CZ3-CD1 3.97Å; W85-I122 HydrophobicContact CZ3-CG1 4.43Å; W85-I122 HydrophobicContact CZ3-CG2 4.1Å; I122-Y133 HydrophobicContact CB-CD1 4.29Å; I122-Y133 HydrophobicContact CD1-CD1 4.2Å; I122-Y133 HydrophobicContact CG2-CD1 4.42Å; I122-Y133 HydrophobicContact CG2-CG 4.41Å; I122-Y133 PolarHBondContact O-N 3.18Å; I122-R137 HydrophobicContact CD1-CG 4.48Å; I122-F142 HydrophobicContact CD1-CE1 3.6Å; I122-F142 HydrophobicContact CD1-CZ 3.59Å
123	Y	96.1	Very high	94.4	Very high	24 Å²	24	36.2 Å²	36.2	9%	0.094	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.7	173	-79.2	-86.9	0	0	0	110.6	I68 F70 F114 I116 T121 F130 R131 K132 V157	I68-Y123 PolarHBondContact N-O 2.88Å; I68-Y123 PolarHBondContact O-N 2.84Å; F70-Y123 AromaticContact CD2-CD2 3.97Å; F70-Y123 HydrophobicContact CD2-CD2 3.97Å; F70-Y123 AromaticContact CE2-CD2 3.69Å; F70-Y123 HydrophobicContact CE2-CD2 3.69Å; F70-Y123 HydrophobicContact CE2-CE2 4.37Å; F114-Y123 HydrophobicContact CD1-CD2 4.36Å; F114-Y123 HydrophobicContact CD1-CE2 4.43Å; I116-Y123 HydrophobicContact CD1-CD2 4.48Å; I116-Y123 HydrophobicContact CD1-CE2 3.83Å; T121-Y123 HydrophobicContact CG2-CD2 3.83Å; T121-Y123 HydrophobicContact CG2-CE2 3.38Å; Y123-F130 HydrophobicContact CD1-CB 4.33Å; Y123-R131 WeakPolarHBondContact CA-O 3.38Å; Y123-K132 HydrophobicContact CD1-CB 4.29Å; Y123-K132 HydrophobicContact CE1-CB 3.84Å; Y123-K132 HydrophobicContact CE1-CG 4.29Å; Y123-V157 HydrophobicContact CD1-CG2 4.42Å; Y123-V157 HydrophobicContact CE1-CG2 3.79Å
124	H	96.5	Very high	94.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.2	161.3	174.2	-103.9	0	0	0	108.4	E65 W66 M67 F130 R131 F145 W151	E65-H124 IonicContact OE1-CD2 3.62Å; E65-H124 IonicContact OE1-CE1 2.79Å; E65-H124 IonicContact OE1-NE2 2.73Å; E65-H124 PolarHBondContact OE1-NE2 3.38Å; W66-H124 CarbonylContact O-C 3.28Å; W66-H124 WeakPolarHBondContact O-CA 3.46Å; M67-H124 HydrophobicContact SD-CB 3.8Å; H124-F130 CarbonylContact O-C 3.56Å; H124-F130 VanDerWaalsContact O-CA 3.29Å; H124-F130 WeakPolarHBondContact O-CA 3.48Å; H124-R131 HydrophobicContact CB-CB 4.36Å; H124-R131 PolarHBondContact N-O 3.36Å; H124-R131 PolarHBondContact O-N 2.84Å; H124-F145 HydrophobicContact CB-CE1 3.83Å; H124-F145 HydrophobicContact CB-CZ 4.31Å; H124-F145 AromaticContact CG-CE1 3.97Å; H124-W151 AromaticContact CE1-CD1 3.76Å; H124-W151 AromaticContact CE1-CD2 3.58Å; H124-W151 AromaticContact CE1-CG 3.43Å; H124-W151 VanDerWaalsContact CE1-CG 3.43Å; H124-W151 AromaticContact ND1-CG 3.91Å; H124-W151 AromaticContact NE2-CD1 3.75Å; H124-W151 AromaticContact NE2-CG 3.89Å
125	C	95.3	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.6	171.7	-175.2	0	0	0	0	108.8	I61 E65 W66 I68 I129 F130	I61-C125 PolarHBondContact O-SG 3.11Å; E65-C125 CarbonylContact C-O 3.44Å; E65-C125 WeakPolarHBondContact CA-O 3.49Å; W66-C125 HydrophobicContact CB-CB 4.22Å; W66-C125 PolarHBondContact N-O 2.79Å; W66-C125 PolarHBondContact O-N 3.44Å; I68-C125 HydrophobicContact CD1-CB 4.42Å; C125-I129 WeakPolarHBondContact CA-O 3.48Å; C125-F130 HydrophobicContact CB-CD1 3.64Å; C125-F130 HydrophobicContact CB-CE1 3.54Å; C125-F130 HydrophobicContact CB-CG 4.37Å; C125-F130 HydrophobicContact CB-CZ 4.17Å; C125-F130 WeakPolarHBondContact SG-CE1 3.35Å; C125-F130 WeakPolarHBondContact SG-CZ 3.29Å
126	K	94.9	Very high	94.7	Very high	56 Å²	56	42.7 Å²	42.7	24%	0.243	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	114.5	169.3	-172.6	170.1	-173	138.4	0	109.1	G64 E65 G128 I129 W151	G64-K126 WeakPolarHBondContact O-CA 3.41Å; E65-K126 HydrophobicContact CG-CB 4.47Å; E65-K126 HydrophobicContact CG-CG 4.45Å; E65-K126 IonicContact OE2-NZ 3.54Å; E65-K126 PolarHBondContact OE2-NZ 3.24Å; K126-G128 PolarHBondContact O-N 3.49Å; K126-I129 PolarHBondContact N-O 3.35Å; K126-I129 WeakPolarHBondContact O-CB 3.11Å; K126-I129 PolarHBondContact O-N 3Å; K126-W151 HydrophobicContact CD-CH2 3.6Å; K126-W151 HydrophobicContact CD-CZ2 3.75Å; K126-W151 HydrophobicContact CD-CZ3 4.11Å
127	D	92.5	Very high	94.8	Very high	109 Å²	109	48 Å²	48	58%	0.583	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	44.2	179.6	-56.1	-50.5	0	0	0	112.7	M62 G64 I129	M62-D127 CarbonylContact O-C 3.57Å; M62-D127 VanDerWaalsContact O-C 3.28Å; G64-D127 PolarHBondContact N-OD1 3.49Å; G64-D127 VanDerWaalsContact N-OD1 3.16Å; G64-D127 PolarHBondContact O-N 2.97Å; D127-I129 VanDerWaalsContact C-N 3.29Å; D127-I129 PolarHBondContact O-N 2.94Å
128	G	90.7	Very high	95	Very high	21 Å²	21	45.3 Å²	45.3	22%	0.216	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-1	178.6	0	0	0	0	0	114.9	M62 K126 F130	M62-G128 PolarHBondContact O-N 2.79Å; K126-G128 PolarHBondContact O-N 3.49Å; G128-F130 VanDerWaalsContact O-CD2 3.24Å; G128-F130 WeakPolarHBondContact O-CD2 3.44Å; G128-F130 WeakPolarHBondContact O-CE2 3.25Å
129	I	92.6	Very high	94.9	Very high	80 Å²	80	44 Å²	44	41%	0.41	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.7	173.9	-54.1	175.4	0	0	0	109.1	C125 K126 D127 R131 P156	C125-I129 WeakPolarHBondContact CA-O 3.48Å; K126-I129 PolarHBondContact N-O 3.35Å; K126-I129 WeakPolarHBondContact O-CB 3.11Å; K126-I129 PolarHBondContact O-N 3Å; D127-I129 VanDerWaalsContact C-N 3.29Å; D127-I129 PolarHBondContact O-N 2.94Å; I129-R131 PolarHBondContact O-NH1 2.87Å; I129-P156 HydrophobicContact CG2-CB 3.54Å
130	F	94.2	Very high	94.8	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	140.4	179.9	-64	-92	0	0	0	111.3	I61 M62 I68 F114 Y123 H124 C125 G128 P156 V157 P163	I61-F130 HydrophobicContact CD1-CE1 4.18Å; I61-F130 HydrophobicContact CD1-CZ 4.21Å; I61-F130 HydrophobicContact CG1-CE1 4.09Å; I61-F130 HydrophobicContact CG1-CZ 3.91Å; M62-F130 HydrophobicContact CE-CE2 4.43Å; M62-F130 HydrophobicContact SD-CE2 3.68Å; M62-F130 HydrophobicContact SD-CZ 3.74Å; I68-F130 HydrophobicContact CD1-CE1 4.19Å; F114-F130 AromaticContact CE1-CD1 3.56Å; F114-F130 HydrophobicContact CE1-CD1 3.56Å; F114-F130 AromaticContact CE1-CE1 3.48Å; F114-F130 HydrophobicContact CE1-CE1 3.48Å; F114-F130 VanDerWaalsContact CE1-CE1 3.48Å; F114-F130 HydrophobicContact CE1-CG 4.23Å; F114-F130 HydrophobicContact CE1-CZ 4.14Å; F114-F130 HydrophobicContact CZ-CD1 4.19Å; F114-F130 AromaticContact CZ-CE1 3.61Å; F114-F130 HydrophobicContact CZ-CE1 3.61Å; F114-F130 AromaticContact CZ-CZ 4Å; F114-F130 HydrophobicContact CZ-CZ 4Å; Y123-F130 HydrophobicContact CD1-CB 4.33Å; H124-F130 CarbonylContact O-C 3.56Å; H124-F130 VanDerWaalsContact O-CA 3.29Å; H124-F130 WeakPolarHBondContact O-CA 3.48Å; C125-F130 HydrophobicContact CB-CD1 3.64Å; C125-F130 HydrophobicContact CB-CE1 3.54Å; C125-F130 HydrophobicContact CB-CG 4.37Å; C125-F130 HydrophobicContact CB-CZ 4.17Å; C125-F130 WeakPolarHBondContact SG-CE1 3.35Å; C125-F130 WeakPolarHBondContact SG-CZ 3.29Å; G128-F130 VanDerWaalsContact O-CD2 3.24Å; G128-F130 WeakPolarHBondContact O-CD2 3.44Å; G128-F130 WeakPolarHBondContact O-CE2 3.25Å; F130-P156 CarbonylContact O-C 3.57Å; F130-P156 WeakPolarHBondContact O-CA 3.45Å; F130-V157 HydrophobicContact CB-CB 4.42Å; F130-V157 HydrophobicContact CB-CG2 4.18Å; F130-V157 PolarHBondContact O-N 2.87Å; F130-P163 HydrophobicContact CD1-CG 4.44Å; F130-P163 HydrophobicContact CD2-CG 3.44Å; F130-P163 VanDerWaalsContact CD2-CG 3.44Å; F130-P163 HydrophobicContact CE1-CG 4.18Å; F130-P163 HydrophobicContact CE2-CG 3.15Å; F130-P163 HydrophobicContact CG-CG 4.09Å; F130-P163 HydrophobicContact CZ-CG 3.55Å
131	R	94.9	Very high	94.8	Very high	25 Å²	25	50 Å²	50	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.6	176.6	-67.9	172.4	-172.9	80	4	108.4	Y123 H124 I129 W151 T154 P156	Y123-R131 WeakPolarHBondContact CA-O 3.38Å; H124-R131 HydrophobicContact CB-CB 4.36Å; H124-R131 PolarHBondContact N-O 3.36Å; H124-R131 PolarHBondContact O-N 2.84Å; I129-R131 PolarHBondContact O-NH1 2.87Å; R131-W151 WeakPolarHBondContact CD-O 3.5Å; R131-W151 PolarHBondContact NE-O 2.8Å; R131-T154 HydrophobicContact CB-CG2 4.11Å; R131-P156 HydrophobicContact CG-CB 4.29Å
132	K	94.8	Very high	94.7	Very high	62 Å²	62	49.7 Å²	49.7	27%	0.27	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129	176.7	-170.8	171.3	-178.6	170.8	0	109.1	Y123 H134 T154	Y123-K132 HydrophobicContact CD1-CB 4.29Å; Y123-K132 HydrophobicContact CE1-CB 3.84Å; Y123-K132 HydrophobicContact CE1-CG 4.29Å; K132-H134 PolarHBondContact O-CD2 3.42Å; K132-T154 WeakPolarHBondContact O-CG2 3.13Å
133	Y	96.1	Very high	94.6	Very high	15 Å²	15	51.4 Å²	51.4	6%	0.059	27%	0.265	C	S	.	.			trans	-84.1	131.1	177.4	176.5	-96.9	0	0	0	110.7	I122 G135 A136 D141 F142 F145	I122-Y133 HydrophobicContact CB-CD1 4.29Å; I122-Y133 HydrophobicContact CD1-CD1 4.2Å; I122-Y133 HydrophobicContact CG2-CD1 4.42Å; I122-Y133 HydrophobicContact CG2-CG 4.41Å; I122-Y133 PolarHBondContact O-N 3.18Å; Y133-G135 WeakPolarHBondContact CE1-O 3.44Å; Y133-G135 VanDerWaalsContact CZ-CA 3.43Å; Y133-A136 PolarHBondContact OH-O 3.05Å; Y133-D141 PolarHBondContact OH-OD2 2.79Å; Y133-F142 AromaticContact CD1-CE1 3.99Å; Y133-F142 HydrophobicContact CD1-CE1 3.99Å; Y133-F142 AromaticContact CE1-CD1 3.86Å; Y133-F142 HydrophobicContact CE1-CD1 3.86Å; Y133-F142 AromaticContact CE1-CE1 3.37Å; Y133-F142 HydrophobicContact CE1-CE1 3.37Å; Y133-F142 HydrophobicContact CE1-CZ 4.42Å; Y133-F142 HydrophobicContact CE2-CD1 4.3Å; Y133-F142 AromaticContact CZ-CD1 3.66Å; Y133-F142 AromaticContact CZ-CE1 3.68Å; Y133-F142 WeakPolarHBondContact OH-CD1 3.41Å; Y133-F145 HydrophobicContact CD2-CD1 4.01Å; Y133-F145 AromaticContact CD2-CD2 3.81Å; Y133-F145 HydrophobicContact CD2-CD2 3.81Å; Y133-F145 HydrophobicContact CD2-CE1 4Å; Y133-F145 AromaticContact CD2-CE2 3.81Å; Y133-F145 HydrophobicContact CD2-CE2 3.81Å; Y133-F145 AromaticContact CD2-CG 3.91Å; Y133-F145 HydrophobicContact CD2-CG 3.91Å; Y133-F145 AromaticContact CD2-CZ 3.89Å; Y133-F145 HydrophobicContact CD2-CZ 3.89Å; Y133-F145 HydrophobicContact CE2-CB 4Å; Y133-F145 HydrophobicContact CE2-CD1 4.18Å; Y133-F145 AromaticContact CE2-CD2 3.72Å; Y133-F145 HydrophobicContact CE2-CD2 3.72Å; Y133-F145 HydrophobicContact CE2-CE2 4.2Å; Y133-F145 AromaticContact CE2-CG 3.7Å; Y133-F145 HydrophobicContact CE2-CG 3.7Å
134	H	93.9	Very high	94.5	Very high	151 Å²	151	51.2 Å²	51.2	70%	0.699	27%	0.268	S	S	*	.			trans	-120.9	5	-177.4	-72.4	-78.4	0	0	0	113.6	K132	K132-H134 PolarHBondContact O-CD2 3.42Å
135	G	93.9	Very high	94.5	Very high	35 Å²	35	51.7 Å²	51.7	36%	0.361	27%	0.27	S	S	.	.	S	Bend	trans	-77.6	-174.2	-177.4	0	0	0	0	0	114.5	Y133 D141	Y133-G135 WeakPolarHBondContact CE1-O 3.44Å; Y133-G135 VanDerWaalsContact CZ-CA 3.43Å; G135-D141 WeakPolarHBondContact CA-OD2 3.5Å
136	A	94.8	Very high	94.4	Very high	54 Å²	54	52.4 Å²	52.4	45%	0.446	27%	0.274	S	S	.	.			trans	-70.9	135.1	177	0	0	0	0	0	109.6	Y133 T138 D141	Y133-A136 PolarHBondContact OH-O 3.05Å; A136-T138 PolarHBondContact O-N 3.44Å; A136-D141 HydrophobicContact CB-CB 4.1Å; A136-D141 PolarHBondContact N-OD2 3.12Å; A136-D141 WeakPolarHBondContact O-CB 3.3Å
137	R	95.3	Very high	94.4	Very high	134 Å²	134	55.5 Å²	55.5	51%	0.506	29%	0.293	S	S	.	.	S	Bend	trans	-81.4	46.6	-177.1	-58.5	178.6	178.5	114.8	-10.1	112.2	L81 P120 I122 F142	L81-R137 HydrophobicContact CD1-CB 3.92Å; P120-R137 PolarHBondContact O-NH2 3.15Å; I122-R137 HydrophobicContact CD1-CG 4.48Å; R137-F142 HydrophobicContact CB-CZ 4.13Å
138	T	95.6	Very high	94.5	Very high	63 Å²	63	56.3 Å²	56.3	39%	0.387	29%	0.294	S	S	.	.	S	Bend	trans	-110.1	155.5	177.3	67.6	0	0	0	0	110	A136 E140 D141 F142	A136-T138 PolarHBondContact O-N 3.44Å; T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.48Å; T138-D141 PolarHBondContact O-N 3.48Å; T138-D141 PolarHBondContact OG1-N 3.21Å; T138-F142 WeakPolarHBondContact O-CD2 3.4Å; T138-F142 WeakPolarHBondContact O-CG 3.37Å; T138-F142 PolarHBondContact O-N 2.91Å; T138-F142 VanDerWaalsContact O-N 3.12Å
139	K	93.6	Very high	94.7	Very high	35 Å²	35	59.1 Å²	59.1	15%	0.152	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-44.9	-179.1	-179	-175.2	179.8	178.3	0	111.3	V84 E87 W91 D141 F142 L143	V84-K139 HydrophobicContact CG1-CB 4Å; V84-K139 VanDerWaalsContact CG1-N 3.31Å; E87-K139 HydrophobicContact CB-CD 4.09Å; E87-K139 IonicContact OE2-NZ 3.39Å; W91-K139 VanDerWaalsContact NE1-NZ 3.15Å; K139-D141 VanDerWaalsContact C-N 3.31Å; K139-D141 PolarHBondContact O-N 2.9Å; K139-F142 PolarHBondContact O-N 3.32Å; K139-L143 HydrophobicContact CG-CD1 4.13Å; K139-L143 HydrophobicContact CG-CG 4.41Å; K139-L143 VanDerWaalsContact O-CG 3.29Å; K139-L143 WeakPolarHBondContact O-CG 3.27Å; K139-L143 PolarHBondContact O-N 3.46Å
140	E	94.8	Very high	94.8	Very high	128 Å²	128	58.8 Å²	58.8	60%	0.598	30%	0.297	S	S	*	.	H	α-helix	trans	-63	-39	-177.3	-59.9	70	-149.4	0	0	111.4	T138 L143 S144	T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.48Å; E140-L143 PolarHBondContact O-N 2.9Å; E140-S144 WeakPolarHBondContact O-CB 3.47Å; E140-S144 PolarHBondContact O-N 2.72Å; E140-S144 PolarHBondContact O-OG 2.81Å
141	D	96	Very high	94.8	Very high	42 Å²	42	59.6 Å²	59.6	23%	0.225	30%	0.3	C	S	.	.	H	α-helix	trans	-70.8	-40.5	179	-159.6	58	0	0	0	110.9	Y133 G135 A136 T138 K139 L143 S144 F145	Y133-D141 PolarHBondContact OH-OD2 2.79Å; G135-D141 WeakPolarHBondContact CA-OD2 3.5Å; A136-D141 HydrophobicContact CB-CB 4.1Å; A136-D141 PolarHBondContact N-OD2 3.12Å; A136-D141 WeakPolarHBondContact O-CB 3.3Å; T138-D141 PolarHBondContact O-N 3.48Å; T138-D141 PolarHBondContact OG1-N 3.21Å; K139-D141 VanDerWaalsContact C-N 3.31Å; K139-D141 PolarHBondContact O-N 2.9Å; D141-L143 PolarHBondContact O-N 2.8Å; D141-S144 PolarHBondContact O-N 2.88Å; D141-S144 PolarHBondContact O-OG 3.15Å; D141-F145 WeakPolarHBondContact O-CB 3.32Å; D141-F145 PolarHBondContact O-N 3.16Å
142	F	95.9	Very high	94.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-45.4	173.2	-62.4	-44.5	0	0	0	112.5	M67 L81 V84 W85 F88 I122 Y133 R137 T138 K139 F145 V146	M67-F142 HydrophobicContact CE-CD1 3.91Å; M67-F142 HydrophobicContact CE-CE1 4.5Å; L81-F142 HydrophobicContact CD1-CE2 4.03Å; L81-F142 HydrophobicContact CD1-CZ 4.06Å; V84-F142 HydrophobicContact CG1-CD2 4.45Å; V84-F142 HydrophobicContact CG1-CE2 4.12Å; W85-F142 HydrophobicContact CE3-CD2 4.2Å; W85-F142 AromaticContact CE3-CE2 3.74Å; W85-F142 HydrophobicContact CE3-CE2 3.74Å; W85-F142 AromaticContact CE3-CZ 3.91Å; W85-F142 HydrophobicContact CE3-CZ 3.91Å; W85-F142 HydrophobicContact CZ3-CD1 4.19Å; W85-F142 HydrophobicContact CZ3-CD2 4.18Å; W85-F142 AromaticContact CZ3-CE1 3.86Å; W85-F142 HydrophobicContact CZ3-CE1 3.86Å; W85-F142 AromaticContact CZ3-CE2 3.88Å; W85-F142 HydrophobicContact CZ3-CE2 3.88Å; W85-F142 HydrophobicContact CZ3-CG 4.35Å; W85-F142 AromaticContact CZ3-CZ 3.71Å; W85-F142 HydrophobicContact CZ3-CZ 3.71Å; F88-F142 HydrophobicContact CB-CD2 4.24Å; F88-F142 HydrophobicContact CD1-CB 4.22Å; F88-F142 HydrophobicContact CD1-CD2 4.38Å; F88-F142 HydrophobicContact CD1-CG 4.43Å; F88-F142 HydrophobicContact CD2-CB 3.58Å; F88-F142 HydrophobicContact CD2-CG 4.5Å; F88-F142 HydrophobicContact CE1-CB 4.26Å; F88-F142 HydrophobicContact CE2-CB 3.63Å; F88-F142 HydrophobicContact CG-CB 3.9Å; F88-F142 HydrophobicContact CG-CD2 4.17Å; F88-F142 HydrophobicContact CG-CG 4.35Å; F88-F142 HydrophobicContact CZ-CB 3.99Å; I122-F142 HydrophobicContact CD1-CE1 3.6Å; I122-F142 HydrophobicContact CD1-CZ 3.59Å; Y133-F142 AromaticContact CD1-CE1 3.99Å; Y133-F142 HydrophobicContact CD1-CE1 3.99Å; Y133-F142 AromaticContact CE1-CD1 3.86Å; Y133-F142 HydrophobicContact CE1-CD1 3.86Å; Y133-F142 AromaticContact CE1-CE1 3.37Å; Y133-F142 HydrophobicContact CE1-CE1 3.37Å; Y133-F142 HydrophobicContact CE1-CZ 4.42Å; Y133-F142 HydrophobicContact CE2-CD1 4.3Å; Y133-F142 AromaticContact CZ-CD1 3.66Å; Y133-F142 AromaticContact CZ-CE1 3.68Å; Y133-F142 WeakPolarHBondContact OH-CD1 3.41Å; R137-F142 HydrophobicContact CB-CZ 4.13Å; T138-F142 WeakPolarHBondContact O-CD2 3.4Å; T138-F142 WeakPolarHBondContact O-CG 3.37Å; T138-F142 PolarHBondContact O-N 2.91Å; T138-F142 VanDerWaalsContact O-N 3.12Å; K139-F142 PolarHBondContact O-N 3.32Å; F142-F145 PolarHBondContact O-N 3.24Å; F142-V146 WeakPolarHBondContact O-CG2 3.45Å; F142-V146 PolarHBondContact O-N 2.87Å
143	L	94.1	Very high	94.7	Very high	40 Å²	40	68.7 Å²	68.7	21%	0.209	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-52.2	176.5	-69	176.2	0	0	0	110.5	F88 W91 M95 K139 E140 D141 F145 V146 D147	F88-L143 HydrophobicContact CD2-CD2 3.98Å; F88-L143 HydrophobicContact CD2-CG 4.41Å; F88-L143 HydrophobicContact CE2-CD2 4.15Å; W91-L143 HydrophobicContact CB-CD2 3.9Å; M95-L143 HydrophobicContact CE-CD2 3.26Å; M95-L143 HydrophobicContact SD-CD2 4Å; K139-L143 HydrophobicContact CG-CD1 4.13Å; K139-L143 HydrophobicContact CG-CG 4.41Å; K139-L143 VanDerWaalsContact O-CG 3.29Å; K139-L143 WeakPolarHBondContact O-CG 3.27Å; K139-L143 PolarHBondContact O-N 3.46Å; E140-L143 PolarHBondContact O-N 2.9Å; D141-L143 PolarHBondContact O-N 2.8Å; L143-F145 VanDerWaalsContact C-N 3.27Å; L143-F145 PolarHBondContact O-N 3.32Å; L143-V146 PolarHBondContact O-N 3.01Å; L143-D147 VanDerWaalsContact O-CB 3.31Å; L143-D147 WeakPolarHBondContact O-CB 3.4Å; L143-D147 PolarHBondContact O-N 3Å
144	S	94.8	Very high	94.5	Very high	21 Å²	21	69.8 Å²	69.8	15%	0.147	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-31.3	-179.6	76	0	0	0	0	112.9	E140 D141 V146 E148 K150	E140-S144 WeakPolarHBondContact O-CB 3.47Å; E140-S144 PolarHBondContact O-N 2.72Å; E140-S144 PolarHBondContact O-OG 2.81Å; D141-S144 PolarHBondContact O-N 2.88Å; D141-S144 PolarHBondContact O-OG 3.15Å; S144-V146 VanDerWaalsContact C-N 3.32Å; S144-V146 PolarHBondContact O-N 3.33Å; S144-E148 WeakPolarHBondContact O-CB 3.39Å; S144-E148 PolarHBondContact O-N 2.93Å; S144-K150 PolarHBondContact OG-NZ 3.08Å
145	F	95.7	Very high	94.5	Very high	10 Å²	10	70.7 Å²	70.7	4%	0.044	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-38.4	178	178.4	-98.6	0	0	0	112.2	M67 H124 Y133 D141 F142 L143 K150 W151	M67-F145 HydrophobicContact CE-CD1 4.4Å; M67-F145 HydrophobicContact SD-CD1 4.38Å; M67-F145 HydrophobicContact SD-CE1 4.26Å; H124-F145 HydrophobicContact CB-CE1 3.83Å; H124-F145 HydrophobicContact CB-CZ 4.31Å; H124-F145 AromaticContact CG-CE1 3.97Å; Y133-F145 HydrophobicContact CD2-CD1 4.01Å; Y133-F145 AromaticContact CD2-CD2 3.81Å; Y133-F145 HydrophobicContact CD2-CD2 3.81Å; Y133-F145 HydrophobicContact CD2-CE1 4Å; Y133-F145 AromaticContact CD2-CE2 3.81Å; Y133-F145 HydrophobicContact CD2-CE2 3.81Å; Y133-F145 AromaticContact CD2-CG 3.91Å; Y133-F145 HydrophobicContact CD2-CG 3.91Å; Y133-F145 AromaticContact CD2-CZ 3.89Å; Y133-F145 HydrophobicContact CD2-CZ 3.89Å; Y133-F145 HydrophobicContact CE2-CB 4Å; Y133-F145 HydrophobicContact CE2-CD1 4.18Å; Y133-F145 AromaticContact CE2-CD2 3.72Å; Y133-F145 HydrophobicContact CE2-CD2 3.72Å; Y133-F145 HydrophobicContact CE2-CE2 4.2Å; Y133-F145 AromaticContact CE2-CG 3.7Å; Y133-F145 HydrophobicContact CE2-CG 3.7Å; D141-F145 WeakPolarHBondContact O-CB 3.32Å; D141-F145 PolarHBondContact O-N 3.16Å; F142-F145 PolarHBondContact O-N 3.24Å; L143-F145 VanDerWaalsContact C-N 3.27Å; L143-F145 PolarHBondContact O-N 3.32Å; F145-K150 HydrophobicContact CD2-CB 3.74Å; F145-K150 HydrophobicContact CE2-CB 4.31Å; F145-K150 HydrophobicContact CG-CB 4.47Å; F145-K150 PolarHBondContact O-N 3.19Å; F145-W151 HydrophobicContact CD1-CB 4.5Å; F145-W151 HydrophobicContact CE1-CB 3.67Å; F145-W151 HydrophobicContact CE2-CB 3.98Å; F145-W151 HydrophobicContact CZ-CB 3.37Å
146	V	94.3	Very high	94.5	Very high	14 Å²	14	72.6 Å²	72.6	9%	0.085	37%	0.366	C	S	.	.	H	α-helix	trans	-80.8	-52.2	178	178.5	0	0	0	0	110.9	M67 F88 I97 F142 L143 S144 Q149	M67-V146 HydrophobicContact CG-CG2 4.41Å; F88-V146 HydrophobicContact CZ-CG2 4.22Å; I97-V146 HydrophobicContact CB-CG1 4.39Å; I97-V146 HydrophobicContact CD1-CB 4.37Å; I97-V146 HydrophobicContact CD1-CG1 3.85Å; I97-V146 HydrophobicContact CD1-CG2 3.52Å; I97-V146 HydrophobicContact CG2-CG1 4.28Å; F142-V146 WeakPolarHBondContact O-CG2 3.45Å; F142-V146 PolarHBondContact O-N 2.87Å; L143-V146 PolarHBondContact O-N 3.01Å; S144-V146 VanDerWaalsContact C-N 3.32Å; S144-V146 PolarHBondContact O-N 3.33Å; V146-Q149 PolarHBondContact O-N 3.07Å; V146-Q149 VanDerWaalsContact O-N 3.14Å
147	D	93.9	Very high	94.3	Very high	121 Å²	121	72.2 Å²	72.2	65%	0.647	36%	0.358	S	S	*	.	H	α-helix	trans	-64.3	-49.7	-174.2	-172.4	48	0	0	0	112.2	L143 Q149	L143-D147 VanDerWaalsContact O-CB 3.31Å; L143-D147 WeakPolarHBondContact O-CB 3.4Å; L143-D147 PolarHBondContact O-N 3Å; D147-Q149 PolarHBondContact O-N 3.39Å
148	E	95	Very high	93.8	Very high	126 Å²	126	68.8 Å²	68.8	59%	0.589	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	0.3	177.1	-54.8	174.3	-158.8	0	0	112.6	S144 K150	S144-E148 WeakPolarHBondContact O-CB 3.39Å; S144-E148 PolarHBondContact O-N 2.93Å; E148-K150 HydrophobicContact CB-CG 4.16Å; E148-K150 PolarHBondContact O-N 3.27Å; E148-K150 IonicContact OE1-NZ 3.39Å; E148-K150 WeakPolarHBondContact OE2-CE 3.36Å; E148-K150 IonicContact OE2-NZ 3.69Å; E148-K150 PolarHBondContact OE2-NZ 3.12Å
149	Q	94.4	Very high	93	Very high	81 Å²	81	71.1 Å²	71.1	38%	0.379	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	36.7	-179.7	-54.9	178	8.1	0	0	113.7	V146 D147 W151 K152	V146-Q149 PolarHBondContact O-N 3.07Å; V146-Q149 VanDerWaalsContact O-N 3.14Å; D147-Q149 PolarHBondContact O-N 3.39Å; Q149-W151 HydrophobicContact CB-CZ2 4.13Å; Q149-W151 HydrophobicContact CG-CZ2 4.18Å; Q149-W151 PolarHBondContact O-N 2.88Å; Q149-W151 VanDerWaalsContact O-N 3.08Å; Q149-K152 HydrophobicContact CB-CD 4.28Å; Q149-K152 HydrophobicContact CB-CG 4.41Å; Q149-K152 WeakPolarHBondContact O-CB 3.41Å; Q149-K152 PolarHBondContact O-N 3.11Å
150	K	94.8	Very high	92.2	Very high	72 Å²	72	77.8 Å²	77.8	31%	0.313	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-57.4	-25.4	178.4	-62.9	-179	-175.8	167.9	0	112.3	S144 F145 E148 K152 N153	S144-K150 PolarHBondContact OG-NZ 3.08Å; F145-K150 HydrophobicContact CD2-CB 3.74Å; F145-K150 HydrophobicContact CE2-CB 4.31Å; F145-K150 HydrophobicContact CG-CB 4.47Å; F145-K150 PolarHBondContact O-N 3.19Å; E148-K150 HydrophobicContact CB-CG 4.16Å; E148-K150 PolarHBondContact O-N 3.27Å; E148-K150 IonicContact OE1-NZ 3.39Å; E148-K150 WeakPolarHBondContact OE2-CE 3.36Å; E148-K150 IonicContact OE2-NZ 3.69Å; E148-K150 PolarHBondContact OE2-NZ 3.12Å; K150-K152 PolarHBondContact O-N 3.39Å; K150-K152 VanDerWaalsContact O-N 3.09Å; K150-N153 PolarHBondContact O-N 3.02Å
151	W	93.9	Very high	91.7	Very high	23 Å²	23	77 Å²	77	9%	0.087	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-54.6	-24	173.2	56.8	-101.6	0	0	0	113.8	E65 H124 K126 R131 F145 Q149 N153 T154	E65-W151 PolarHBondContact OE1-NE1 3.29Å; H124-W151 AromaticContact CE1-CD1 3.76Å; H124-W151 AromaticContact CE1-CD2 3.58Å; H124-W151 AromaticContact CE1-CG 3.43Å; H124-W151 VanDerWaalsContact CE1-CG 3.43Å; H124-W151 AromaticContact ND1-CG 3.91Å; H124-W151 AromaticContact NE2-CD1 3.75Å; H124-W151 AromaticContact NE2-CG 3.89Å; K126-W151 HydrophobicContact CD-CH2 3.6Å; K126-W151 HydrophobicContact CD-CZ2 3.75Å; K126-W151 HydrophobicContact CD-CZ3 4.11Å; R131-W151 WeakPolarHBondContact CD-O 3.5Å; R131-W151 PolarHBondContact NE-O 2.8Å; F145-W151 HydrophobicContact CD1-CB 4.5Å; F145-W151 HydrophobicContact CE1-CB 3.67Å; F145-W151 HydrophobicContact CE2-CB 3.98Å; F145-W151 HydrophobicContact CZ-CB 3.37Å; Q149-W151 HydrophobicContact CB-CZ2 4.13Å; Q149-W151 HydrophobicContact CG-CZ2 4.18Å; Q149-W151 PolarHBondContact O-N 2.88Å; Q149-W151 VanDerWaalsContact O-N 3.08Å; W151-N153 PolarHBondContact O-N 2.9Å; W151-T154 PolarHBondContact O-N 3.19Å; W151-T154 VanDerWaalsContact O-N 3.11Å
152	K	93.9	Very high	91	Very high	127 Å²	127	75.4 Å²	75.4	55%	0.552	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-62.6	-30.1	175.1	-72.1	-178.1	-179.2	172.3	0	113.2	Q149 K150 T154	Q149-K152 HydrophobicContact CB-CD 4.28Å; Q149-K152 HydrophobicContact CB-CG 4.41Å; Q149-K152 WeakPolarHBondContact O-CB 3.41Å; Q149-K152 PolarHBondContact O-N 3.11Å; K150-K152 PolarHBondContact O-N 3.39Å; K150-K152 VanDerWaalsContact O-N 3.09Å; K152-T154 VanDerWaalsContact C-N 3.33Å
153	N	93.9	Very high	90.4	Very high	151 Å²	151	75.5 Å²	75.5	81%	0.807	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-87.8	-7	178.6	-60.6	-31.5	0	0	0	112.2	K150 W151	K150-N153 PolarHBondContact O-N 3.02Å; W151-N153 PolarHBondContact O-N 2.9Å
154	T	93.3	Very high	89.9	Confident	38 Å²	38	77.1 Å²	77.1	23%	0.233	40%	0.401	C	S	.	.	S	Bend	trans	-89	129.1	177	-51.9	0	0	0	0	109.8	R131 K132 W151 K152	R131-T154 HydrophobicContact CB-CG2 4.11Å; K132-T154 WeakPolarHBondContact O-CG2 3.13Å; W151-T154 PolarHBondContact O-N 3.19Å; W151-T154 VanDerWaalsContact O-N 3.11Å; K152-T154 VanDerWaalsContact C-N 3.33Å
155	E	92.5	Very high	89.6	Confident	170 Å²	170	77 Å²	77	79%	0.794	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-61.5	129.2	178.7	-64.3	-177.6	178.4	0	0	110.7
156	P	93.4	Very high	89.4	Confident	75 Å²	75	85.1 Å²	85.1	49%	0.487	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-69.9	148.8	174.5	30.6	-34.1	0	0	0	110.6	I129 F130 R131 S158	I129-P156 HydrophobicContact CG2-CB 3.54Å; F130-P156 CarbonylContact O-C 3.57Å; F130-P156 WeakPolarHBondContact O-CA 3.45Å; R131-P156 HydrophobicContact CG-CB 4.29Å; P156-S158 PolarHBondContact O-N 2.87Å
157	V	90.4	Very high	89.2	Confident	46 Å²	46	87 Å²	87	28%	0.279	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-58.9	126.6	167.1	-178	0	0	0	0	107.5	Y123 F130 F161	Y123-V157 HydrophobicContact CD1-CG2 4.42Å; Y123-V157 HydrophobicContact CE1-CG2 3.79Å; F130-V157 HydrophobicContact CB-CB 4.42Å; F130-V157 HydrophobicContact CB-CG2 4.18Å; F130-V157 PolarHBondContact O-N 2.87Å; V157-F161 HydrophobicContact CG1-CB 4.21Å
158	S	85.3	Confident	89	Confident	62 Å²	62	81.3 Å²	81.3	43%	0.434	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-54.2	145.9	179	68.2	0	0	0	0	111.4	P156 W160 F161 G162	P156-S158 PolarHBondContact O-N 2.87Å; S158-W160 PolarHBondContact O-N 3.37Å; S158-W160 VanDerWaalsContact O-N 3.16Å; S158-F161 CarbonylContact O-C 3.57Å; S158-F161 PolarHBondContact O-N 2.78Å; S158-F161 VanDerWaalsContact O-N 3.08Å; S158-F161 WeakPolarHBondContact OG-CD2 3.42Å; S158-G162 PolarHBondContact O-N 2.95Å
159	S	79.6	Confident	88.8	Confident	111 Å²	111	79.7 Å²	79.7	78%	0.776	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.7	-177.9	53.6	0	0	0	0	113.8	G162	S159-G162 PolarHBondContact O-N 3.06Å
160	W	77.5	Confident	88.7	Confident	176 Å²	176	79.2 Å²	79.2	67%	0.667	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.5	177	-165.7	-91.9	0	0	0	112.7	S158 S165 L167	S158-W160 PolarHBondContact O-N 3.37Å; S158-W160 VanDerWaalsContact O-N 3.16Å; W160-S165 WeakPolarHBondContact O-CB 3.33Å; W160-S165 PolarHBondContact O-OG 2.97Å; W160-L167 VanDerWaalsContact NE1-CD1 3.33Å
161	F	82.5	Confident	88.6	Confident	111 Å²	111	79.1 Å²	79.1	49%	0.487	42%	0.417	S	S	.	.	S	Bend	trans	-94.8	5.4	174.9	-67.3	-76.9	0	0	0	112.9	I115 V157 S158 M168	I115-F161 HydrophobicContact CD1-CD1 4.25Å; V157-F161 HydrophobicContact CG1-CB 4.21Å; S158-F161 CarbonylContact O-C 3.57Å; S158-F161 PolarHBondContact O-N 2.78Å; S158-F161 VanDerWaalsContact O-N 3.08Å; S158-F161 WeakPolarHBondContact OG-CD2 3.42Å; F161-M168 HydrophobicContact CD1-CE 3.98Å; F161-M168 WeakPolarHBondContact O-CG 3.43Å
162	G	82.8	Confident	88.5	Confident	8 Å²	8	78.3 Å²	78.3	8%	0.082	42%	0.415	C	S	.	.	S	Bend	trans	-67.1	145.4	177.5	0	0	0	0	0	110.7	S158 S159 S164 S165 M168	S158-G162 PolarHBondContact O-N 2.95Å; S159-G162 PolarHBondContact O-N 3.06Å; G162-S164 PolarHBondContact O-N 3.41Å; G162-S164 VanDerWaalsContact O-N 3.11Å; G162-S165 VanDerWaalsContact O-CB 3.26Å; G162-S165 WeakPolarHBondContact O-CB 3.45Å; G162-S165 PolarHBondContact O-N 3.22Å; G162-S165 PolarHBondContact O-OG 3.34Å; G162-M168 WeakPolarHBondContact O-CB 3.49Å; G162-M168 WeakPolarHBondContact O-CG 3.48Å
163	P	82.4	Confident	88.5	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.019	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.4	-173.7	22.2	-33.2	0	0	0	112.2	R113 F114 F130 S165 M168	R113-P163 HydrophobicContact CG-CB 3.66Å; R113-P163 WeakPolarHBondContact CG-O 3.4Å; R113-P163 PolarHBondContact NE-O 3.06Å; R113-P163 PolarHBondContact NH1-O 2.83Å; R113-P163 VanDerWaalsContact NH1-O 3.15Å; R113-P163 PolarHBondContact NH2-O 3.29Å; F114-P163 HydrophobicContact CD1-CB 4.44Å; F114-P163 HydrophobicContact CD1-CG 4.5Å; F114-P163 HydrophobicContact CD2-CB 4.39Å; F114-P163 HydrophobicContact CE1-CB 4Å; F114-P163 HydrophobicContact CE1-CG 3.78Å; F114-P163 HydrophobicContact CE2-CB 3.95Å; F114-P163 HydrophobicContact CE2-CG 4.48Å; F114-P163 HydrophobicContact CZ-CB 3.73Å; F114-P163 HydrophobicContact CZ-CG 3.77Å; F130-P163 HydrophobicContact CD1-CG 4.44Å; F130-P163 HydrophobicContact CD2-CG 3.44Å; F130-P163 VanDerWaalsContact CD2-CG 3.44Å; F130-P163 HydrophobicContact CE1-CG 4.18Å; F130-P163 HydrophobicContact CE2-CG 3.15Å; F130-P163 HydrophobicContact CG-CG 4.09Å; F130-P163 HydrophobicContact CZ-CG 3.55Å; P163-S165 VanDerWaalsContact C-N 3.25Å; P163-S165 PolarHBondContact O-N 2.95Å; P163-M168 VanDerWaalsContact O-CB 3.26Å; P163-M168 WeakPolarHBondContact O-CB 3.46Å
164	S	84	Confident	88.5	Confident	73 Å²	73	72.4 Å²	72.4	51%	0.51	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-3.9	177.2	54.7	0	0	0	0	115.5	G162	G162-S164 PolarHBondContact O-N 3.41Å; G162-S164 VanDerWaalsContact O-N 3.11Å
165	S	88.8	Confident	88.5	Confident	19 Å²	19	74.4 Å²	74.4	13%	0.133	40%	0.402	C	S	.	.	S	Bend	trans	-72.7	156	-178.3	85.7	0	0	0	0	112.3	W160 G162 P163 L167 M168 N169	W160-S165 WeakPolarHBondContact O-CB 3.33Å; W160-S165 PolarHBondContact O-OG 2.97Å; G162-S165 VanDerWaalsContact O-CB 3.26Å; G162-S165 WeakPolarHBondContact O-CB 3.45Å; G162-S165 PolarHBondContact O-N 3.22Å; G162-S165 PolarHBondContact O-OG 3.34Å; P163-S165 VanDerWaalsContact C-N 3.25Å; P163-S165 PolarHBondContact O-N 2.95Å; S165-L167 PolarHBondContact O-N 3.48Å; S165-L167 PolarHBondContact OG-N 3.31Å; S165-M168 PolarHBondContact O-N 2.94Å; S165-M168 PolarHBondContact OG-N 3.5Å; S165-M168 VanDerWaalsContact OG-N 3.12Å; S165-N169 PolarHBondContact O-N 3.41Å
166	F	90.7	Very high	88.5	Confident	180 Å²	180	70.5 Å²	70.5	79%	0.789	38%	0.383	S	S	*	.	H	α-helix	trans	-56.4	-40.1	173.6	174.9	-99.5	0	0	0	111.6	N169 S170	F166-N169 PolarHBondContact O-N 3.03Å; F166-S170 PolarHBondContact O-N 3.37Å
167	L	90.2	Very high	88.5	Confident	54 Å²	54	71.4 Å²	71.4	28%	0.283	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-45	178.8	-159.2	156.8	0	0	0	110.8	W160 S165 N169 S170 M171	W160-L167 VanDerWaalsContact NE1-CD1 3.33Å; S165-L167 PolarHBondContact O-N 3.48Å; S165-L167 PolarHBondContact OG-N 3.31Å; L167-N169 VanDerWaalsContact C-N 3.33Å; L167-N169 PolarHBondContact O-N 3.41Å; L167-S170 WeakPolarHBondContact O-CB 3.45Å; L167-S170 PolarHBondContact O-N 2.83Å; L167-M171 HydrophobicContact CD2-CE 4.34Å; L167-M171 HydrophobicContact CD2-CG 3.99Å; L167-M171 PolarHBondContact O-N 2.76Å
168	M	89.6	Confident	88.7	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-70.2	-31.1	179	-71.9	-48.7	103.7	0	0	112.6	R113 I115 F161 G162 P163 S165 M171 S172	R113-M168 HydrophobicContact CG-CB 4.26Å; R113-M168 WeakPolarHBondContact O-CG 3.01Å; I115-M168 HydrophobicContact CD1-CE 3.59Å; I115-M168 HydrophobicContact CD1-SD 3.49Å; I115-M168 WeakPolarHBondContact CD1-SD 3.49Å; I115-M168 HydrophobicContact CG1-CE 4.35Å; I115-M168 HydrophobicContact CG1-SD 3.71Å; F161-M168 HydrophobicContact CD1-CE 3.98Å; F161-M168 WeakPolarHBondContact O-CG 3.43Å; G162-M168 WeakPolarHBondContact O-CB 3.49Å; G162-M168 WeakPolarHBondContact O-CG 3.48Å; P163-M168 VanDerWaalsContact O-CB 3.26Å; P163-M168 WeakPolarHBondContact O-CB 3.46Å; S165-M168 PolarHBondContact O-N 2.94Å; S165-M168 PolarHBondContact OG-N 3.5Å; S165-M168 VanDerWaalsContact OG-N 3.12Å; M168-M171 HydrophobicContact CE-CG 4.36Å; M168-M171 PolarHBondContact O-N 2.93Å; M168-S172 WeakPolarHBondContact O-CB 3.33Å; M168-S172 PolarHBondContact O-N 2.88Å
169	N	91.8	Very high	89	Confident	93 Å²	93	72.9 Å²	72.9	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-43.5	170.4	-162.4	32.3	0	0	0	111.6	S165 F166 L167 M171 S172 A173	S165-N169 PolarHBondContact O-N 3.41Å; F166-N169 PolarHBondContact O-N 3.03Å; L167-N169 VanDerWaalsContact C-N 3.33Å; L167-N169 PolarHBondContact O-N 3.41Å; N169-M171 PolarHBondContact O-N 2.89Å; N169-S172 WeakPolarHBondContact O-CB 3.29Å; N169-S172 PolarHBondContact O-N 3.12Å; N169-A173 PolarHBondContact O-N 3.28Å
170	S	92.4	Very high	89.7	Confident	70 Å²	70	73.4 Å²	73.4	49%	0.49	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-42.1	174.2	-171.2	0	0	0	0	112	F166 L167 A173 L174	F166-S170 PolarHBondContact O-N 3.37Å; L167-S170 WeakPolarHBondContact O-CB 3.45Å; L167-S170 PolarHBondContact O-N 2.83Å; S170-A173 PolarHBondContact O-N 2.96Å; S170-L174 WeakPolarHBondContact O-CB 3.39Å; S170-L174 PolarHBondContact O-N 2.96Å
171	M	91.3	Very high	90.4	Very high	71 Å²	71	68.6 Å²	68.6	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-43.2	176.1	-77.3	-63.9	-175.8	0	0	112	L167 M168 N169 A173 L174 F175	L167-M171 HydrophobicContact CD2-CE 4.34Å; L167-M171 HydrophobicContact CD2-CG 3.99Å; L167-M171 PolarHBondContact O-N 2.76Å; M168-M171 HydrophobicContact CE-CG 4.36Å; M168-M171 PolarHBondContact O-N 2.93Å; N169-M171 PolarHBondContact O-N 2.89Å; M171-A173 VanDerWaalsContact C-N 3.34Å; M171-A173 PolarHBondContact O-N 3.29Å; M171-L174 PolarHBondContact O-N 3.2Å; M171-L174 HydrophobicContact SD-CD2 4.29Å; M171-F175 WeakPolarHBondContact O-CD2 3.45Å; M171-F175 PolarHBondContact O-N 3.47Å
172	S	93.1	Very high	91	Very high	6 Å²	6	70.7 Å²	70.7	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-58	-46.3	174.5	-169.8	0	0	0	0	111.6	G109 M168 N169 L174 F175 K176	G109-S172 VanDerWaalsContact C-OG 3.24Å; G109-S172 VanDerWaalsContact CA-OG 3.25Å; G109-S172 WeakPolarHBondContact CA-OG 3.25Å; G109-S172 WeakPolarHBondContact O-CB 3.21Å; G109-S172 PolarHBondContact O-OG 3.39Å; M168-S172 WeakPolarHBondContact O-CB 3.33Å; M168-S172 PolarHBondContact O-N 2.88Å; N169-S172 WeakPolarHBondContact O-CB 3.29Å; N169-S172 PolarHBondContact O-N 3.12Å; S172-L174 PolarHBondContact O-N 3.04Å; S172-F175 PolarHBondContact O-N 3.15Å; S172-K176 WeakPolarHBondContact O-CG 3.19Å; S172-K176 PolarHBondContact O-N 2.86Å
173	A	93.8	Very high	91.5	Very high	55 Å²	55	77.6 Å²	77.6	46%	0.455	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-41.8	176.8	0	0	0	0	0	112.1	N169 S170 M171 K176 L177	N169-A173 PolarHBondContact O-N 3.28Å; S170-A173 PolarHBondContact O-N 2.96Å; M171-A173 VanDerWaalsContact C-N 3.34Å; M171-A173 PolarHBondContact O-N 3.29Å; A173-K176 PolarHBondContact O-N 3.36Å; A173-L177 VanDerWaalsContact O-CB 3.31Å; A173-L177 WeakPolarHBondContact O-CB 3.4Å; A173-L177 PolarHBondContact O-N 2.88Å
174	L	93.4	Very high	92	Very high	98 Å²	98	79.2 Å²	79.2	51%	0.513	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-44.3	177	-178.8	65.6	0	0	0	111.9	S170 M171 S172 L177 S178	S170-L174 WeakPolarHBondContact O-CB 3.39Å; S170-L174 PolarHBondContact O-N 2.96Å; M171-L174 PolarHBondContact O-N 3.2Å; M171-L174 HydrophobicContact SD-CD2 4.29Å; S172-L174 PolarHBondContact O-N 3.04Å; L174-L177 PolarHBondContact O-N 3.38Å; L174-S178 WeakPolarHBondContact O-CB 3.31Å; L174-S178 PolarHBondContact O-N 2.74Å
175	F	92.6	Very high	92.5	Very high	81 Å²	81	77.2 Å²	77.2	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-43	177.2	-89.3	-117.7	0	0	0	111.8	P108 M171 S172 L177 S178 M179	P108-F175 WeakPolarHBondContact O-CB 3.31Å; M171-F175 WeakPolarHBondContact O-CD2 3.45Å; M171-F175 PolarHBondContact O-N 3.47Å; S172-F175 PolarHBondContact O-N 3.15Å; F175-L177 VanDerWaalsContact C-N 3.34Å; F175-L177 PolarHBondContact O-N 2.94Å; F175-S178 PolarHBondContact O-N 3.03Å; F175-M179 PolarHBondContact O-N 3.41Å
176	K	93.4	Very high	92.8	Very high	88 Å²	88	78.9 Å²	78.9	38%	0.383	39%	0.393	S	S	.	.	H	α-helix	trans	-60.4	-43.9	173.9	-72.6	-177.1	-171.7	-176.7	0	111.4	D55 S172 A173 M179 F180	D55-K176 VanDerWaalsContact CG-CE 3.5Å; D55-K176 WeakPolarHBondContact OD1-CE 3.13Å; D55-K176 IonicContact OD1-NZ 2.7Å; D55-K176 PolarHBondContact OD1-NZ 3.39Å; D55-K176 VanDerWaalsContact OD2-CE 3.29Å; D55-K176 WeakPolarHBondContact OD2-CE 3.29Å; D55-K176 IonicContact OD2-NZ 3.94Å; S172-K176 WeakPolarHBondContact O-CG 3.19Å; S172-K176 PolarHBondContact O-N 2.86Å; A173-K176 PolarHBondContact O-N 3.36Å; K176-M179 PolarHBondContact O-N 3.25Å; K176-F180 WeakPolarHBondContact O-CB 3.33Å; K176-F180 PolarHBondContact O-N 2.91Å
177	L	93.9	Very high	93	Very high	93 Å²	93	77 Å²	77	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-62.6	-45.7	177.1	179.4	63	0	0	0	111.5	A173 L174 F175 M179 F180 I181	A173-L177 VanDerWaalsContact O-CB 3.31Å; A173-L177 WeakPolarHBondContact O-CB 3.4Å; A173-L177 PolarHBondContact O-N 2.88Å; L174-L177 PolarHBondContact O-N 3.38Å; F175-L177 VanDerWaalsContact C-N 3.34Å; F175-L177 PolarHBondContact O-N 2.94Å; L177-M179 PolarHBondContact O-N 2.89Å; L177-F180 WeakPolarHBondContact O-CB 3.44Å; L177-F180 PolarHBondContact O-N 2.51Å; L177-I181 HydrophobicContact CD1-CD1 4.24Å; L177-I181 HydrophobicContact CD1-CG1 4.38Å; L177-I181 HydrophobicContact CG-CD1 4.03Å; L177-I181 WeakPolarHBondContact O-CG1 3.35Å; L177-I181 PolarHBondContact O-N 2.99Å
178	S	93.4	Very high	93.2	Very high	74 Å²	74	75.4 Å²	75.4	52%	0.517	37%	0.373	S	S	.	.	H	α-helix	trans	-57.7	-48.3	176.9	177.5	0	0	0	0	111.7	L174 F175 F180 I181 R182	L174-S178 WeakPolarHBondContact O-CB 3.31Å; L174-S178 PolarHBondContact O-N 2.74Å; F175-S178 PolarHBondContact O-N 3.03Å; S178-F180 VanDerWaalsContact C-N 3.34Å; S178-F180 PolarHBondContact O-N 3.49Å; S178-I181 PolarHBondContact O-N 3.27Å; S178-R182 PolarHBondContact O-N 3.19Å
179	M	91.8	Very high	93.4	Very high	65 Å²	65	76.8 Å²	76.8	32%	0.32	38%	0.382	S	S	.	.	H	α-helix	trans	-66.4	-35.8	176.8	-76.8	-63.2	-171.9	0	0	112.7	P108 F175 K176 L177 R182 R183	P108-M179 HydrophobicContact CB-CB 4.31Å; P108-M179 HydrophobicContact CB-CG 3.64Å; P108-M179 HydrophobicContact CG-CB 4.2Å; P108-M179 HydrophobicContact CG-CG 4.01Å; F175-M179 PolarHBondContact O-N 3.41Å; K176-M179 PolarHBondContact O-N 3.25Å; L177-M179 PolarHBondContact O-N 2.89Å; M179-R182 PolarHBondContact O-N 3.25Å; M179-R183 VanDerWaalsContact O-CG 3.29Å; M179-R183 WeakPolarHBondContact O-CG 3.48Å; M179-R183 PolarHBondContact O-N 2.99Å
180	F	94.3	Very high	93.5	Very high	122 Å²	122	79.2 Å²	79.2	54%	0.535	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-47.2	174.1	175.7	-100.6	0	0	0	111.7	K176 L177 S178 R182 R183 C184	K176-F180 WeakPolarHBondContact O-CB 3.33Å; K176-F180 PolarHBondContact O-N 2.91Å; L177-F180 WeakPolarHBondContact O-CB 3.44Å; L177-F180 PolarHBondContact O-N 2.51Å; S178-F180 VanDerWaalsContact C-N 3.34Å; S178-F180 PolarHBondContact O-N 3.49Å; F180-R182 VanDerWaalsContact C-N 3.3Å; F180-R182 PolarHBondContact O-N 3.39Å; F180-R183 WeakPolarHBondContact O-CB 3.36Å; F180-R183 PolarHBondContact O-N 2.96Å; F180-R183 VanDerWaalsContact O-N 3.12Å; F180-C184 WeakPolarHBondContact CZ-SG 3.3Å; F180-C184 PolarHBondContact O-N 2.78Å; F180-C184 PolarHBondContact O-SG 3.1Å
181	I	93.5	Very high	93.5	Very high	75 Å²	75	82.5 Å²	82.5	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-58	-45.3	176.4	-67.5	165.4	0	0	0	110.3	L177 S178 R183 C184 H185 F203	L177-I181 HydrophobicContact CD1-CD1 4.24Å; L177-I181 HydrophobicContact CD1-CG1 4.38Å; L177-I181 HydrophobicContact CG-CD1 4.03Å; L177-I181 WeakPolarHBondContact O-CG1 3.35Å; L177-I181 PolarHBondContact O-N 2.99Å; S178-I181 PolarHBondContact O-N 3.27Å; I181-R183 PolarHBondContact O-N 3.47Å; I181-C184 PolarHBondContact O-N 2.82Å; I181-H185 PolarHBondContact O-N 3.29Å; I181-F203 HydrophobicContact CG2-CD1 4.44Å; I181-F203 HydrophobicContact CG2-CE1 4.03Å; I181-F203 HydrophobicContact CG2-CE2 4.48Å; I181-F203 HydrophobicContact CG2-CZ 4.04Å; I181-F203 WeakPolarHBondContact O-CZ 3.16Å
182	R	93.4	Very high	93.6	Very high	155 Å²	155	84 Å²	84	59%	0.585	41%	0.406	S	S	*	.	H	α-helix	trans	-60.1	-43.2	176.1	-174.9	178.4	177.6	-176	-0.7	112.2	S178 M179 F180 H185 N186	S178-R182 PolarHBondContact O-N 3.19Å; M179-R182 PolarHBondContact O-N 3.25Å; F180-R182 VanDerWaalsContact C-N 3.3Å; F180-R182 PolarHBondContact O-N 3.39Å; R182-H185 WeakPolarHBondContact O-CB 3.45Å; R182-H185 PolarHBondContact O-N 3.39Å; R182-N186 PolarHBondContact O-N 3.48Å; R182-N186 PolarHBondContact O-OD1 3.12Å
183	R	93.4	Very high	93.6	Very high	154 Å²	154	86.4 Å²	86.4	58%	0.581	43%	0.432	S	S	*	.	H	α-helix	trans	-62	-43.7	175.9	-72.3	172.6	-169.6	173.5	2.4	111.4	M179 F180 I181 Y187	M179-R183 VanDerWaalsContact O-CG 3.29Å; M179-R183 WeakPolarHBondContact O-CG 3.48Å; M179-R183 PolarHBondContact O-N 2.99Å; F180-R183 WeakPolarHBondContact O-CB 3.36Å; F180-R183 PolarHBondContact O-N 2.96Å; F180-R183 VanDerWaalsContact O-N 3.12Å; I181-R183 PolarHBondContact O-N 3.47Å; R183-Y187 VanDerWaalsContact O-CB 3.26Å; R183-Y187 WeakPolarHBondContact O-CB 3.02Å; R183-Y187 PolarHBondContact O-N 2.92Å
184	C	94.3	Very high	93.7	Very high	37 Å²	37	85.9 Å²	85.9	25%	0.25	42%	0.421	C	S	.	.	H	α-helix	trans	-63	-40.8	175	-69.9	0	0	0	0	112.2	F180 I181 Y187 M188 F203	F180-C184 WeakPolarHBondContact CZ-SG 3.3Å; F180-C184 PolarHBondContact O-N 2.78Å; F180-C184 PolarHBondContact O-SG 3.1Å; I181-C184 PolarHBondContact O-N 2.82Å; C184-Y187 PolarHBondContact O-N 2.9Å; C184-M188 WeakPolarHBondContact O-CG 3.48Å; C184-M188 PolarHBondContact O-N 2.81Å; C184-F203 HydrophobicContact CB-CE1 4.08Å; C184-F203 HydrophobicContact CB-CZ 3.79Å
185	H	94.6	Very high	93.8	Very high	31 Å²	31	84.2 Å²	84.2	14%	0.144	42%	0.417	C	S	.	.	H	α-helix	trans	-59.7	-54.7	177	177.2	74.2	0	0	0	110.6	I181 R182 Y187 M188 T189 S199 Y200 F203	I181-H185 PolarHBondContact O-N 3.29Å; R182-H185 WeakPolarHBondContact O-CB 3.45Å; R182-H185 PolarHBondContact O-N 3.39Å; H185-Y187 VanDerWaalsContact C-N 3.28Å; H185-Y187 PolarHBondContact O-N 3.36Å; H185-M188 PolarHBondContact O-N 3.45Å; H185-M188 VanDerWaalsContact O-N 3.12Å; H185-T189 WeakPolarHBondContact O-CG2 3.46Å; H185-T189 PolarHBondContact O-N 2.96Å; H185-T189 PolarHBondContact O-OG1 2.98Å; H185-T189 VanDerWaalsContact O-OG1 3.1Å; H185-S199 PolarHBondContact CE1-OG 3.37Å; H185-S199 PolarHBondContact ND1-OG 3.06Å; H185-Y200 AromaticContact CE1-CE1 3.52Å; H185-Y200 AromaticContact CE1-CZ 3.87Å; H185-Y200 AromaticContact ND1-CE1 3.8Å; H185-F203 HydrophobicContact CB-CE2 3.66Å; H185-F203 HydrophobicContact CB-CZ 4.04Å
186	N	93.9	Very high	93.9	Very high	54 Å²	54	83.9 Å²	83.9	29%	0.289	42%	0.421	S	S	.	.	H	α-helix	trans	-60.6	-39.8	179.5	-69.6	2.8	0	0	0	111.3	R182 M188 T189 E190	R182-N186 PolarHBondContact O-N 3.48Å; R182-N186 PolarHBondContact O-OD1 3.12Å; N186-M188 PolarHBondContact O-N 3.37Å; N186-T189 WeakPolarHBondContact CA-OG1 3.43Å; N186-T189 PolarHBondContact O-N 2.87Å; N186-T189 PolarHBondContact O-OG1 3.24Å; N186-E190 WeakPolarHBondContact O-CB 3.33Å; N186-E190 WeakPolarHBondContact O-CG 3.32Å; N186-E190 PolarHBondContact O-N 3.21Å
187	Y	95	Very high	94	Very high	139 Å²	139	88.4 Å²	88.4	55%	0.545	44%	0.436	S	S	.	.	I	π-helix	trans	-61.1	-45	175	-177.9	-93.6	0	0	0	112	R183 C184 H185 Q191 L192	R183-Y187 VanDerWaalsContact O-CB 3.26Å; R183-Y187 WeakPolarHBondContact O-CB 3.02Å; R183-Y187 PolarHBondContact O-N 2.92Å; C184-Y187 PolarHBondContact O-N 2.9Å; H185-Y187 VanDerWaalsContact C-N 3.28Å; H185-Y187 PolarHBondContact O-N 3.36Å; Y187-Q191 HydrophobicContact CD2-CB 4.06Å; Y187-Q191 HydrophobicContact CD2-CG 3.73Å; Y187-Q191 HydrophobicContact CE2-CB 3.97Å; Y187-Q191 HydrophobicContact CE2-CG 3.87Å; Y187-Q191 HydrophobicContact CG-CB 4.49Å; Y187-Q191 HydrophobicContact CG-CG 4.46Å; Y187-Q191 WeakPolarHBondContact O-CA 3.45Å; Y187-Q191 VanDerWaalsContact O-CB 3.26Å; Y187-Q191 WeakPolarHBondContact O-CB 3.27Å; Y187-Q191 PolarHBondContact O-N 3.37Å; Y187-L192 HydrophobicContact CD1-CD1 4.45Å; Y187-L192 HydrophobicContact CE1-CD1 4.16Å; Y187-L192 HydrophobicContact CE1-CG 4.19Å; Y187-L192 PolarHBondContact O-N 3.01Å
188	M	94.1	Very high	94.1	Very high	22 Å²	22	84.4 Å²	84.4	11%	0.108	42%	0.417	C	S	.	.	I	π-helix	trans	-65.3	-39.7	177.6	-74.8	-173.3	-72.8	0	0	112.7	C184 H185 N186 L192 G193 I194 I202 F203	C184-M188 WeakPolarHBondContact O-CG 3.48Å; C184-M188 PolarHBondContact O-N 2.81Å; H185-M188 PolarHBondContact O-N 3.45Å; H185-M188 VanDerWaalsContact O-N 3.12Å; N186-M188 PolarHBondContact O-N 3.37Å; M188-L192 HydrophobicContact CG-CD1 4.26Å; M188-L192 WeakPolarHBondContact O-CB 3.48Å; M188-G193 PolarHBondContact O-N 2.99Å; M188-I194 HydrophobicContact CB-CD1 4.23Å; M188-I194 HydrophobicContact CG-CD1 4.41Å; M188-I194 WeakPolarHBondContact O-CB 3.42Å; M188-I194 PolarHBondContact O-N 3.36Å; M188-I202 HydrophobicContact SD-CB 4.45Å; M188-I202 HydrophobicContact SD-CD1 3.99Å; M188-I202 HydrophobicContact SD-CG2 4.12Å; M188-F203 HydrophobicContact CE-CD1 4.47Å; M188-F203 HydrophobicContact CE-CD2 3.95Å; M188-F203 HydrophobicContact CE-CE1 3.87Å; M188-F203 HydrophobicContact CE-CE2 3.24Å; M188-F203 HydrophobicContact CE-CZ 3.21Å
189	T	93.8	Very high	94.2	Very high	30 Å²	30	80.9 Å²	80.9	18%	0.184	39%	0.392	C	S	.	.	I	π-helix	trans	-79.9	-39.8	-176.7	54.9	0	0	0	0	112.8	H185 N186 G193 I194 V196	H185-T189 WeakPolarHBondContact O-CG2 3.46Å; H185-T189 PolarHBondContact O-N 2.96Å; H185-T189 PolarHBondContact O-OG1 2.98Å; H185-T189 VanDerWaalsContact O-OG1 3.1Å; N186-T189 WeakPolarHBondContact CA-OG1 3.43Å; N186-T189 PolarHBondContact O-N 2.87Å; N186-T189 PolarHBondContact O-OG1 3.24Å; T189-G193 WeakPolarHBondContact O-CA 3.42Å; T189-I194 WeakPolarHBondContact CA-O 3.41Å; T189-V196 HydrophobicContact CG2-CG2 4.31Å
190	E	94.1	Very high	94.3	Very high	143 Å²	143	84.5 Å²	84.5	67%	0.668	40%	0.403	S	S	*	.	I	π-helix	trans	-87.9	-45.3	-176.3	-62	177.1	-177.1	0	0	112.7	N186	N186-E190 WeakPolarHBondContact O-CB 3.33Å; N186-E190 WeakPolarHBondContact O-CG 3.32Å; N186-E190 PolarHBondContact O-N 3.21Å
191	Q	92.7	Very high	94.4	Very high	139 Å²	139	82.4 Å²	82.4	65%	0.65	40%	0.401	S	S	*	.	I	π-helix	trans	-90.5	-39.3	-173.6	-59.3	-70.5	1.8	0	0	112.7	Y187	Y187-Q191 HydrophobicContact CD2-CB 4.06Å; Y187-Q191 HydrophobicContact CD2-CG 3.73Å; Y187-Q191 HydrophobicContact CE2-CB 3.97Å; Y187-Q191 HydrophobicContact CE2-CG 3.87Å; Y187-Q191 HydrophobicContact CG-CB 4.49Å; Y187-Q191 HydrophobicContact CG-CG 4.46Å; Y187-Q191 WeakPolarHBondContact O-CA 3.45Å; Y187-Q191 VanDerWaalsContact O-CB 3.26Å; Y187-Q191 WeakPolarHBondContact O-CB 3.27Å; Y187-Q191 PolarHBondContact O-N 3.37Å
192	L	92.6	Very high	94.5	Very high	102 Å²	102	82.1 Å²	82.1	53%	0.534	40%	0.399	S	S	.	.	S	Bend	trans	-90.9	-7.3	178.1	-59.4	175.6	0	0	0	112.7	Y187 M188 I194	Y187-L192 HydrophobicContact CD1-CD1 4.45Å; Y187-L192 HydrophobicContact CE1-CD1 4.16Å; Y187-L192 HydrophobicContact CE1-CG 4.19Å; Y187-L192 PolarHBondContact O-N 3.01Å; M188-L192 HydrophobicContact CG-CD1 4.26Å; M188-L192 WeakPolarHBondContact O-CB 3.48Å; L192-I194 HydrophobicContact CB-CD1 4.02Å; L192-I194 HydrophobicContact CB-CG1 3.92Å; L192-I194 HydrophobicContact CD1-CD1 4.15Å; L192-I194 PolarHBondContact O-N 3.33Å
193	G	94.6	Very high	94.6	Very high	57 Å²	57	76.8 Å²	76.8	59%	0.588	38%	0.38	S	S	*	.			trans	64.3	17.8	179.9	0	0	0	0	0	114	M188 T189	M188-G193 PolarHBondContact O-N 2.99Å; T189-G193 WeakPolarHBondContact O-CA 3.42Å
194	I	94.5	Very high	94.7	Very high	45 Å²	45	71.1 Å²	71.1	23%	0.231	37%	0.369	C	S	.	.			trans	-69.4	130.9	179.6	-59.7	174.8	0	0	0	107.5	M188 T189 L192 I202	M188-I194 HydrophobicContact CB-CD1 4.23Å; M188-I194 HydrophobicContact CG-CD1 4.41Å; M188-I194 WeakPolarHBondContact O-CB 3.42Å; M188-I194 PolarHBondContact O-N 3.36Å; T189-I194 WeakPolarHBondContact CA-O 3.41Å; L192-I194 HydrophobicContact CB-CD1 4.02Å; L192-I194 HydrophobicContact CB-CG1 3.92Å; L192-I194 HydrophobicContact CD1-CD1 4.15Å; L192-I194 PolarHBondContact O-N 3.33Å; I194-I202 HydrophobicContact CD1-CD1 4.03Å
195	P	95.7	Very high	94.9	Very high	63 Å²	63	73.6 Å²	73.6	41%	0.409	38%	0.38	S	S	.	.			trans	-61.4	150.9	176.2	27.8	-36.1	0	0	0	110.6	W197 G198 S199	P195-W197 VanDerWaalsContact C-N 3.25Å; P195-W197 HydrophobicContact CB-CG 4.5Å; P195-W197 HydrophobicContact CG-CD2 4.31Å; P195-W197 HydrophobicContact CG-CZ2 3.84Å; P195-W197 VanDerWaalsContact CG-NE1 3.34Å; P195-W197 PolarHBondContact O-N 3.48Å; P195-W197 VanDerWaalsContact O-N 3.12Å; P195-G198 WeakPolarHBondContact O-CA 3.48Å; P195-G198 PolarHBondContact O-N 2.98Å; P195-S199 PolarHBondContact O-N 2.88Å
196	V	94.5	Very high	94.9	Very high	74 Å²	74	76.3 Å²	76.3	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-49.6	-44.4	-175.4	174.9	0	0	0	0	112.4	T189 G198 S199 Y200	T189-V196 HydrophobicContact CG2-CG2 4.31Å; V196-G198 VanDerWaalsContact C-N 3.31Å; V196-G198 PolarHBondContact O-N 3.17Å; V196-S199 PolarHBondContact O-N 3.24Å; V196-S199 PolarHBondContact O-OG 3.19Å; V196-Y200 HydrophobicContact CG1-CD2 4.12Å; V196-Y200 HydrophobicContact CG1-CE2 3.32Å; V196-Y200 WeakPolarHBondContact O-CD2 3.38Å; V196-Y200 PolarHBondContact O-N 2.97Å
197	W	95.4	Very high	95	Very high	183 Å²	183	78.2 Å²	78.2	69%	0.693	41%	0.412	S	S	*	.	H	α-helix	trans	-61.4	-36.9	177.3	66.8	-97.5	0	0	0	113.1	P195 Y200 V201	P195-W197 VanDerWaalsContact C-N 3.25Å; P195-W197 HydrophobicContact CB-CG 4.5Å; P195-W197 HydrophobicContact CG-CD2 4.31Å; P195-W197 HydrophobicContact CG-CZ2 3.84Å; P195-W197 VanDerWaalsContact CG-NE1 3.34Å; P195-W197 PolarHBondContact O-N 3.48Å; P195-W197 VanDerWaalsContact O-N 3.12Å; W197-Y200 PolarHBondContact O-N 3.39Å; W197-V201 HydrophobicContact CE3-CG2 4.31Å; W197-V201 WeakPolarHBondContact O-CG2 3.3Å; W197-V201 PolarHBondContact O-N 3.19Å
198	G	95.8	Very high	95.1	Very high	9 Å²	9	76 Å²	76	9%	0.093	41%	0.409	C	S	.	.	H	α-helix	trans	-66.1	-40.6	179.4	0	0	0	0	0	111.5	P195 V196 Y200 V201 I202	P195-G198 WeakPolarHBondContact O-CA 3.48Å; P195-G198 PolarHBondContact O-N 2.98Å; V196-G198 VanDerWaalsContact C-N 3.31Å; V196-G198 PolarHBondContact O-N 3.17Å; G198-Y200 VanDerWaalsContact C-N 3.3Å; G198-Y200 PolarHBondContact O-N 3.26Å; G198-V201 PolarHBondContact O-N 2.94Å; G198-I202 WeakPolarHBondContact O-CG1 3.46Å; G198-I202 PolarHBondContact O-N 3.35Å
199	S	95.7	Very high	95.2	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-62.4	-37.2	175.2	76.5	0	0	0	0	112.4	H185 P195 V196 I202 F203	H185-S199 PolarHBondContact CE1-OG 3.37Å; H185-S199 PolarHBondContact ND1-OG 3.06Å; P195-S199 PolarHBondContact O-N 2.88Å; V196-S199 PolarHBondContact O-N 3.24Å; V196-S199 PolarHBondContact O-OG 3.19Å; S199-I202 PolarHBondContact O-N 3.09Å; S199-F203 WeakPolarHBondContact O-CD2 3.5Å; S199-F203 PolarHBondContact O-N 2.62Å
200	Y	95.3	Very high	95.3	Very high	140 Å²	140	81.9 Å²	81.9	55%	0.549	44%	0.44	S	S	.	.	H	α-helix	trans	-69	-37.5	176.2	-61.1	-37.1	0	0	0	112.5	H185 V196 W197 G198 I202 F203 G204	H185-Y200 AromaticContact CE1-CE1 3.52Å; H185-Y200 AromaticContact CE1-CZ 3.87Å; H185-Y200 AromaticContact ND1-CE1 3.8Å; V196-Y200 HydrophobicContact CG1-CD2 4.12Å; V196-Y200 HydrophobicContact CG1-CE2 3.32Å; V196-Y200 WeakPolarHBondContact O-CD2 3.38Å; V196-Y200 PolarHBondContact O-N 2.97Å; W197-Y200 PolarHBondContact O-N 3.39Å; G198-Y200 VanDerWaalsContact C-N 3.3Å; G198-Y200 PolarHBondContact O-N 3.26Å; Y200-I202 VanDerWaalsContact C-N 3.35Å; Y200-F203 PolarHBondContact O-N 3.48Å; Y200-G204 PolarHBondContact O-N 3.34Å
201	V	96.6	Very high	95.4	Very high	79 Å²	79	77.1 Å²	77.1	48%	0.479	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-44.8	173	172.9	0	0	0	0	110.5	W197 G198 G204 L205	W197-V201 HydrophobicContact CE3-CG2 4.31Å; W197-V201 WeakPolarHBondContact O-CG2 3.3Å; W197-V201 PolarHBondContact O-N 3.19Å; G198-V201 PolarHBondContact O-N 2.94Å; V201-G204 PolarHBondContact O-N 2.84Å; V201-L205 HydrophobicContact CG1-CD1 4.18Å; V201-L205 HydrophobicContact CG1-CG 4.47Å; V201-L205 WeakPolarHBondContact O-CG 3.37Å; V201-L205 PolarHBondContact O-N 2.87Å
202	I	95.4	Very high	95.7	Very high	68 Å²	68	75.5 Å²	75.5	35%	0.349	43%	0.425	S	S	.	.	H	α-helix	trans	-60.3	-49.3	177.2	-67	166.3	0	0	0	110.6	M188 I194 G198 S199 Y200 G204 L205 V206	M188-I202 HydrophobicContact SD-CB 4.45Å; M188-I202 HydrophobicContact SD-CD1 3.99Å; M188-I202 HydrophobicContact SD-CG2 4.12Å; I194-I202 HydrophobicContact CD1-CD1 4.03Å; G198-I202 WeakPolarHBondContact O-CG1 3.46Å; G198-I202 PolarHBondContact O-N 3.35Å; S199-I202 PolarHBondContact O-N 3.09Å; Y200-I202 VanDerWaalsContact C-N 3.35Å; I202-G204 VanDerWaalsContact C-N 3.32Å; I202-G204 PolarHBondContact O-N 2.9Å; I202-L205 PolarHBondContact O-N 3.2Å; I202-V206 HydrophobicContact CG2-CG2 4.4Å; I202-V206 WeakPolarHBondContact O-CG2 3.49Å; I202-V206 PolarHBondContact O-N 3.46Å
203	F	95.6	Very high	95.9	Very high	43 Å²	43	74.8 Å²	74.8	19%	0.189	43%	0.425	C	S	.	.	H	α-helix	trans	-60.2	-42.6	176.7	-75.8	-56.8	0	0	0	112.3	I181 C184 H185 M188 S199 Y200 L205 V206 T207	I181-F203 HydrophobicContact CG2-CD1 4.44Å; I181-F203 HydrophobicContact CG2-CE1 4.03Å; I181-F203 HydrophobicContact CG2-CE2 4.48Å; I181-F203 HydrophobicContact CG2-CZ 4.04Å; I181-F203 WeakPolarHBondContact O-CZ 3.16Å; C184-F203 HydrophobicContact CB-CE1 4.08Å; C184-F203 HydrophobicContact CB-CZ 3.79Å; H185-F203 HydrophobicContact CB-CE2 3.66Å; H185-F203 HydrophobicContact CB-CZ 4.04Å; M188-F203 HydrophobicContact CE-CD1 4.47Å; M188-F203 HydrophobicContact CE-CD2 3.95Å; M188-F203 HydrophobicContact CE-CE1 3.87Å; M188-F203 HydrophobicContact CE-CE2 3.24Å; M188-F203 HydrophobicContact CE-CZ 3.21Å; S199-F203 WeakPolarHBondContact O-CD2 3.5Å; S199-F203 PolarHBondContact O-N 2.62Å; Y200-F203 PolarHBondContact O-N 3.48Å; F203-L205 VanDerWaalsContact C-N 3.34Å; F203-L205 PolarHBondContact O-N 3.42Å; F203-V206 PolarHBondContact O-N 3.28Å; F203-T207 WeakPolarHBondContact O-CG2 3.29Å; F203-T207 PolarHBondContact O-N 2.8Å; F203-T207 PolarHBondContact O-OG1 3Å; F203-T207 VanDerWaalsContact O-OG1 3.06Å
204	G	95.4	Very high	95.9	Very high	35 Å²	35	77.7 Å²	77.7	36%	0.361	43%	0.426	S	S	.	.	H	α-helix	trans	-61.1	-39.9	176.9	0	0	0	0	0	113.1	Y200 V201 I202 T207 L208	Y200-G204 PolarHBondContact O-N 3.34Å; V201-G204 PolarHBondContact O-N 2.84Å; I202-G204 VanDerWaalsContact C-N 3.32Å; I202-G204 PolarHBondContact O-N 2.9Å; G204-T207 WeakPolarHBondContact CA-OG1 3.47Å; G204-T207 PolarHBondContact O-OG1 2.98Å; G204-L208 VanDerWaalsContact O-CB 3.26Å; G204-L208 WeakPolarHBondContact O-CB 3.39Å; G204-L208 PolarHBondContact O-N 3.33Å
205	L	96.9	Very high	96	Very high	90 Å²	90	77.2 Å²	77.2	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-67.3	-46.5	174.3	-69.8	174.9	0	0	0	111.2	V201 I202 F203 T207 L208 F209	V201-L205 HydrophobicContact CG1-CD1 4.18Å; V201-L205 HydrophobicContact CG1-CG 4.47Å; V201-L205 WeakPolarHBondContact O-CG 3.37Å; V201-L205 PolarHBondContact O-N 2.87Å; I202-L205 PolarHBondContact O-N 3.2Å; F203-L205 VanDerWaalsContact C-N 3.34Å; F203-L205 PolarHBondContact O-N 3.42Å; L205-T207 VanDerWaalsContact C-N 3.35Å; L205-T207 PolarHBondContact O-N 3.04Å; L205-L208 PolarHBondContact O-N 3.27Å; L205-F209 HydrophobicContact CB-CD2 4.41Å; L205-F209 HydrophobicContact CB-CE2 4.42Å; L205-F209 HydrophobicContact CD2-CE2 4.47Å; L205-F209 WeakPolarHBondContact O-CD2 3.47Å; L205-F209 PolarHBondContact O-N 3.26Å
206	V	95.8	Very high	96	Very high	88 Å²	88	79.4 Å²	79.4	53%	0.533	44%	0.44	S	S	.	.	H	α-helix	trans	-60	-44.4	179	170.8	0	0	0	0	111.2	I202 F203 F209 A210	I202-V206 HydrophobicContact CG2-CG2 4.4Å; I202-V206 WeakPolarHBondContact O-CG2 3.49Å; I202-V206 PolarHBondContact O-N 3.46Å; F203-V206 PolarHBondContact O-N 3.28Å; V206-F209 PolarHBondContact O-N 2.95Å; V206-A210 WeakPolarHBondContact O-CB 3.4Å; V206-A210 PolarHBondContact O-N 2.95Å
207	T	94.8	Very high	96.1	Very high	93 Å²	93	80.4 Å²	80.4	57%	0.571	44%	0.442	S	S	*	.	H	α-helix	trans	-66.8	-38.7	177.9	54	0	0	0	0	112	F203 G204 L205 G211	F203-T207 WeakPolarHBondContact O-CG2 3.29Å; F203-T207 PolarHBondContact O-N 2.8Å; F203-T207 PolarHBondContact O-OG1 3Å; F203-T207 VanDerWaalsContact O-OG1 3.06Å; G204-T207 WeakPolarHBondContact CA-OG1 3.47Å; G204-T207 PolarHBondContact O-OG1 2.98Å; L205-T207 VanDerWaalsContact C-N 3.35Å; L205-T207 PolarHBondContact O-N 3.04Å; T207-G211 PolarHBondContact O-N 3.41Å
208	L	97.4	Very high	96.1	Very high	94 Å²	94	77.3 Å²	77.3	49%	0.492	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-51.3	174.9	-176.6	155.1	0	0	0	111.3	G204 L205 G211 L212	G204-L208 VanDerWaalsContact O-CB 3.26Å; G204-L208 WeakPolarHBondContact O-CB 3.39Å; G204-L208 PolarHBondContact O-N 3.33Å; L205-L208 PolarHBondContact O-N 3.27Å; L208-G211 PolarHBondContact O-N 3.47Å; L208-L212 HydrophobicContact CD2-CD1 3.57Å; L208-L212 HydrophobicContact CD2-CG 4.27Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 2.86Å
209	F	97.6	Very high	96.1	Very high	130 Å²	130	80.8 Å²	80.8	57%	0.57	46%	0.458	S	S	*	.	H	α-helix	trans	-65.2	-42.2	179.2	-77.2	-67.5	0	0	0	112.3	L205 V206 G211 L212 T213	L205-F209 HydrophobicContact CB-CD2 4.41Å; L205-F209 HydrophobicContact CB-CE2 4.42Å; L205-F209 HydrophobicContact CD2-CE2 4.47Å; L205-F209 WeakPolarHBondContact O-CD2 3.47Å; L205-F209 PolarHBondContact O-N 3.26Å; V206-F209 PolarHBondContact O-N 2.95Å; F209-G211 VanDerWaalsContact C-N 3.33Å; F209-G211 PolarHBondContact O-N 2.85Å; F209-L212 PolarHBondContact O-N 2.95Å; F209-T213 WeakPolarHBondContact O-CB 3.35Å; F209-T213 VanDerWaalsContact O-CG2 3.3Å; F209-T213 WeakPolarHBondContact O-CG2 3.38Å; F209-T213 PolarHBondContact O-N 3.32Å; F209-T213 PolarHBondContact O-OG1 3.35Å
210	A	95.5	Very high	96	Very high	45 Å²	45	87.9 Å²	87.9	37%	0.372	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-41.3	175.1	0	0	0	0	0	111.6	V206 T213 L214	V206-A210 WeakPolarHBondContact O-CB 3.4Å; V206-A210 PolarHBondContact O-N 2.95Å; A210-T213 WeakPolarHBondContact CA-OG1 3.34Å; A210-T213 PolarHBondContact O-OG1 2.86Å; A210-L214 WeakPolarHBondContact O-CB 3.26Å; A210-L214 PolarHBondContact O-N 3.44Å
211	G	96.4	Very high	95.9	Very high	42 Å²	42	85.4 Å²	85.4	43%	0.433	49%	0.485	S	S	.	.	H	α-helix	trans	-64.9	-44.7	176.3	0	0	0	0	0	112.9	T207 L208 F209 G215	T207-G211 PolarHBondContact O-N 3.41Å; L208-G211 PolarHBondContact O-N 3.47Å; F209-G211 VanDerWaalsContact C-N 3.33Å; F209-G211 PolarHBondContact O-N 2.85Å; G211-G215 PolarHBondContact O-N 2.93Å
212	L	97.5	Very high	95.7	Very high	106 Å²	106	83.6 Å²	83.6	56%	0.555	48%	0.478	S	S	*	.	H	α-helix	trans	-63.3	-44.6	176.7	-72.8	178.2	0	0	0	112	L208 F209 G215 L216	L208-L212 HydrophobicContact CD2-CD1 3.57Å; L208-L212 HydrophobicContact CD2-CG 4.27Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 2.86Å; F209-L212 PolarHBondContact O-N 2.95Å; L212-G215 PolarHBondContact O-N 3.41Å; L212-L216 WeakPolarHBondContact O-CG 3.33Å; L212-L216 PolarHBondContact O-N 3.29Å
213	T	96.8	Very high	95.5	Very high	87 Å²	87	84.9 Å²	84.9	53%	0.534	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-43.2	178.9	50.7	0	0	0	0	112.1	F209 A210 L217	F209-T213 WeakPolarHBondContact O-CB 3.35Å; F209-T213 VanDerWaalsContact O-CG2 3.3Å; F209-T213 WeakPolarHBondContact O-CG2 3.38Å; F209-T213 PolarHBondContact O-N 3.32Å; F209-T213 PolarHBondContact O-OG1 3.35Å; A210-T213 WeakPolarHBondContact CA-OG1 3.34Å; A210-T213 PolarHBondContact O-OG1 2.86Å; T213-L217 VanDerWaalsContact O-CB 3.29Å; T213-L217 WeakPolarHBondContact O-CB 3.46Å; T213-L217 PolarHBondContact O-N 2.74Å
214	L	95.8	Very high	95.1	Very high	117 Å²	117	92.6 Å²	92.6	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-61.9	-42.5	172.7	-91.7	167.1	0	0	0	112	A210 L217 L218	A210-L214 WeakPolarHBondContact O-CB 3.26Å; A210-L214 PolarHBondContact O-N 3.44Å; L214-L217 PolarHBondContact O-N 3.45Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 PolarHBondContact O-N 2.59Å
215	G	96.6	Very high	95	Very high	35 Å²	35	95 Å²	95	36%	0.361	52%	0.523	S	S	.	.	H	α-helix	trans	-61.8	-47.9	178.1	0	0	0	0	0	112.5	G211 L212 L218 V219	G211-G215 PolarHBondContact O-N 2.93Å; L212-G215 PolarHBondContact O-N 3.41Å; G215-L218 PolarHBondContact O-N 3.34Å; G215-V219 WeakPolarHBondContact O-CG2 3.38Å; G215-V219 PolarHBondContact O-N 3.38Å
216	L	96	Very high	94.4	Very high	109 Å²	109	98.1 Å²	98.1	57%	0.571	53%	0.532	S	S	*	.	H	α-helix	trans	-62	-44.2	176	-71.3	175.5	0	0	0	111.7	L212 L218 V219 F220	L212-L216 WeakPolarHBondContact O-CG 3.33Å; L212-L216 PolarHBondContact O-N 3.29Å; L216-L218 VanDerWaalsContact C-N 3.29Å; L216-L218 PolarHBondContact O-N 3.12Å; L216-V219 PolarHBondContact O-N 2.93Å; L216-F220 WeakPolarHBondContact O-CD2 3.37Å; L216-F220 PolarHBondContact O-N 3.45Å
217	L	96.1	Very high	93.5	Very high	96 Å²	96	98.1 Å²	98.1	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-60.4	-39.2	176.5	-179.8	141.7	0	0	0	111.8	T213 L214 F220 I221	T213-L217 VanDerWaalsContact O-CB 3.29Å; T213-L217 WeakPolarHBondContact O-CB 3.46Å; T213-L217 PolarHBondContact O-N 2.74Å; L214-L217 PolarHBondContact O-N 3.45Å; L217-F220 PolarHBondContact O-N 3.4Å; L217-I221 HydrophobicContact CD2-CD1 3.48Å; L217-I221 VanDerWaalsContact CD2-CD1 3.48Å; L217-I221 HydrophobicContact CD2-CG1 4.43Å; L217-I221 HydrophobicContact CG-CD1 4.21Å; L217-I221 VanDerWaalsContact O-CG1 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.38Å; L217-I221 PolarHBondContact O-N 3.05Å
218	L	95.1	Very high	92	Very high	117 Å²	117	98 Å²	98	61%	0.613	54%	0.537	S	S	*	.	H	α-helix	trans	-65.3	-41.5	176.1	-145.7	175.1	0	0	0	111.4	L214 G215 L216 I221 A222	L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 PolarHBondContact O-N 2.59Å; G215-L218 PolarHBondContact O-N 3.34Å; L216-L218 VanDerWaalsContact C-N 3.29Å; L216-L218 PolarHBondContact O-N 3.12Å; L218-I221 PolarHBondContact O-N 3.46Å; L218-A222 WeakPolarHBondContact O-CB 3.34Å; L218-A222 PolarHBondContact O-N 3.34Å
219	V	95.3	Very high	90.2	Very high	83 Å²	83	104.8 Å²	104.8	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-60	-46.8	173.7	173.4	0	0	0	0	110.9	G215 L216 I221 A222 D223	G215-V219 WeakPolarHBondContact O-CG2 3.38Å; G215-V219 PolarHBondContact O-N 3.38Å; L216-V219 PolarHBondContact O-N 2.93Å; V219-I221 VanDerWaalsContact C-N 3.33Å; V219-I221 PolarHBondContact O-N 2.99Å; V219-A222 WeakPolarHBondContact O-CB 3.11Å; V219-A222 PolarHBondContact O-N 3.14Å; V219-A222 VanDerWaalsContact O-N 3.15Å; V219-D223 PolarHBondContact O-N 3.12Å
220	F	93.9	Very high	88.3	Confident	148 Å²	148	109.1 Å²	109.1	65%	0.649	57%	0.569	S	S	*	*	H	α-helix	trans	-59.9	-41.3	176.5	-81.8	-67.6	0	0	0	112.8	L216 L217 D223 Y224	L216-F220 WeakPolarHBondContact O-CD2 3.37Å; L216-F220 PolarHBondContact O-N 3.45Å; L217-F220 PolarHBondContact O-N 3.4Å; F220-D223 PolarHBondContact O-N 3.08Å; F220-Y224 WeakPolarHBondContact O-CB 3.48Å; F220-Y224 PolarHBondContact O-N 2.83Å
221	I	94.3	Very high	86.2	Confident	89 Å²	89	116 Å²	116	46%	0.456	59%	0.59	S	S	.	*	H	α-helix	trans	-65.6	-42	175.6	-68.4	170.2	0	0	0	110.5	L217 L218 V219 D223 Y224 V225	L217-I221 HydrophobicContact CD2-CD1 3.48Å; L217-I221 VanDerWaalsContact CD2-CD1 3.48Å; L217-I221 HydrophobicContact CD2-CG1 4.43Å; L217-I221 HydrophobicContact CG-CD1 4.21Å; L217-I221 VanDerWaalsContact O-CG1 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.38Å; L217-I221 PolarHBondContact O-N 3.05Å; L218-I221 PolarHBondContact O-N 3.46Å; V219-I221 VanDerWaalsContact C-N 3.33Å; V219-I221 PolarHBondContact O-N 2.99Å; I221-D223 VanDerWaalsContact C-N 3.35Å; I221-D223 PolarHBondContact O-N 3.25Å; I221-Y224 PolarHBondContact O-N 3.31Å; I221-V225 HydrophobicContact CG2-CG2 4.08Å; I221-V225 WeakPolarHBondContact O-CB 3.36Å; I221-V225 VanDerWaalsContact O-CG2 3.31Å; I221-V225 WeakPolarHBondContact O-CG2 3.26Å; I221-V225 PolarHBondContact O-N 2.89Å
222	A	91.9	Very high	84.1	Confident	41 Å²	41	119 Å²	119	34%	0.339	61%	0.605	S	S	.	*	H	α-helix	trans	-62.4	-41.8	178	0	0	0	0	0	111.7	L218 V219 Y224 V225 F226	L218-A222 WeakPolarHBondContact O-CB 3.34Å; L218-A222 PolarHBondContact O-N 3.34Å; V219-A222 WeakPolarHBondContact O-CB 3.11Å; V219-A222 PolarHBondContact O-N 3.14Å; V219-A222 VanDerWaalsContact O-N 3.15Å; A222-Y224 VanDerWaalsContact C-N 3.3Å; A222-Y224 PolarHBondContact O-N 3.46Å; A222-V225 PolarHBondContact O-N 3.49Å; A222-F226 WeakPolarHBondContact O-CA 3.42Å; A222-F226 WeakPolarHBondContact O-CB 3.37Å; A222-F226 PolarHBondContact O-N 2.87Å
223	D	89.9	Confident	81.8	Confident	95 Å²	95	116.4 Å²	116.4	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-65.1	-33	174.8	-77.6	-21.3	0	0	0	112.4	V219 F220 I221 F226 P227	V219-D223 PolarHBondContact O-N 3.12Å; F220-D223 PolarHBondContact O-N 3.08Å; I221-D223 VanDerWaalsContact C-N 3.35Å; I221-D223 PolarHBondContact O-N 3.25Å; D223-F226 CarbonylContact O-C 3.49Å; D223-P227 VanDerWaalsContact O-CA 3.31Å; D223-P227 WeakPolarHBondContact O-CA 3.26Å
224	Y	88.4	Confident	80	Confident	204 Å²	204	117 Å²	117	80%	0.8	60%	0.602	S	S	*	*	H	α-helix	trans	-73.5	-42.4	176	-172.9	-96.7	0	0	0	112.7	F220 I221 A222	F220-Y224 WeakPolarHBondContact O-CB 3.48Å; F220-Y224 PolarHBondContact O-N 2.83Å; I221-Y224 PolarHBondContact O-N 3.31Å; A222-Y224 VanDerWaalsContact C-N 3.3Å; A222-Y224 PolarHBondContact O-N 3.46Å
225	V	93	Very high	78.1	Confident	87 Å²	87	116.7 Å²	116.7	53%	0.527	60%	0.6	S	S	.	*	H	α-helix	trans	-78.4	-38.1	-177.5	175	0	0	0	0	111.6	I221 A222 P227	I221-V225 HydrophobicContact CG2-CG2 4.08Å; I221-V225 WeakPolarHBondContact O-CB 3.36Å; I221-V225 VanDerWaalsContact O-CG2 3.31Å; I221-V225 WeakPolarHBondContact O-CG2 3.26Å; I221-V225 PolarHBondContact O-N 2.89Å; A222-V225 PolarHBondContact O-N 3.49Å; V225-P227 VanDerWaalsContact C-CD 3.44Å; V225-P227 WeakPolarHBondContact O-CD 3.21Å
226	F	84.5	Confident	76.3	Confident	154 Å²	154	123.5 Å²	123.5	68%	0.675	62%	0.616	S	S	*	*	S	Bend	trans	-118.3	74	175.7	-56.3	-75.8	0	0	0	108.9	A222 D223 S228	A222-F226 WeakPolarHBondContact O-CA 3.42Å; A222-F226 WeakPolarHBondContact O-CB 3.37Å; A222-F226 PolarHBondContact O-N 2.87Å; D223-F226 CarbonylContact O-C 3.49Å; F226-S228 PolarHBondContact O-N 3.25Å
227	P	76.2	Confident	74.4	Confident	89 Å²	89	127 Å²	127	58%	0.578	62%	0.623	S	S	*	*			trans	-56.8	114.9	173.3	23.7	-31.5	0	0	0	106.6	D223 V225 R229	D223-P227 VanDerWaalsContact O-CA 3.31Å; D223-P227 WeakPolarHBondContact O-CA 3.26Å; V225-P227 VanDerWaalsContact C-CD 3.44Å; V225-P227 WeakPolarHBondContact O-CD 3.21Å; P227-R229 VanDerWaalsContact C-N 3.29Å; P227-R229 PolarHBondContact O-N 3Å
228	S	63.9	Low	72.5	Confident	90 Å²	90	128.9 Å²	128.9	63%	0.629	63%	0.629	S	S	*	*			trans	-54.3	101.3	177.7	56.9	0	0	0	0	106.8	F226 R230	F226-S228 PolarHBondContact O-N 3.25Å; S228-R230 PolarHBondContact O-N 3.05Å
229	R	60.1	Low	71.1	Confident	237 Å²	237	129.9 Å²	129.9	89%	0.894	63%	0.629	S	S	*	*			trans	-66.4	87.7	170.4	-79.3	-172.4	176.2	-133.7	2	104.5	P227 F231	P227-R229 VanDerWaalsContact C-N 3.29Å; P227-R229 PolarHBondContact O-N 3Å; R229-F231 PolarHBondContact O-N 3.06Å
230	R	57.1	Low	69.9	Low	221 Å²	221	131.6 Å²	131.6	83%	0.834	63%	0.629	S	S	*	*			trans	-58.4	94	162.5	-84.6	-174.6	-167.9	-175.6	3.7	105.8	S228 S232	S228-R230 PolarHBondContact O-N 3.05Å; R230-S232 PolarHBondContact O-N 3.43Å
231	F	51.2	Low	68.6	Low	188 Å²	188	131 Å²	131	83%	0.825	63%	0.629	S	S	*	*			trans	-66.6	80.5	162.7	-138.8	-84.3	0	0	0	106	R229 S233	R229-F231 PolarHBondContact O-N 3.06Å; F231-S233 VanDerWaalsContact C-N 3.31Å; F231-S233 PolarHBondContact O-N 2.88Å
232	S	52.6	Low	67.2	Low	105 Å²	105	129.6 Å²	129.6	73%	0.734	63%	0.627	S	S	*	*			trans	-73.2	97.9	154.1	-76.6	0	0	0	0	105	R230 P234	R230-S232 PolarHBondContact O-N 3.43Å; S232-P234 VanDerWaalsContact O-CD 3.3Å; S232-P234 WeakPolarHBondContact O-CD 3.46Å
233	S	49.9	Very low	66.3	Low	53 Å²	53	132.9 Å²	132.9	37%	0.371	64%	0.637	S	S	.	*			trans	-77.3	118.1	164.4	177.1	0	0	0	0	107.7	F231 D235	F231-S233 VanDerWaalsContact C-N 3.31Å; F231-S233 PolarHBondContact O-N 2.88Å; S233-D235 PolarHBondContact O-N 3.4Å; S233-D235 WeakPolarHBondContact OG-CB 3.39Å; S233-D235 PolarHBondContact OG-N 3.24Å
234	P	58	Low	65.6	Low	100 Å²	100	134 Å²	134	65%	0.649	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-15.2	172.7	-20.1	34.1	0	0	0	113.3	S232 Y236 Y237	S232-P234 VanDerWaalsContact O-CD 3.3Å; S232-P234 WeakPolarHBondContact O-CD 3.46Å; P234-Y236 VanDerWaalsContact C-N 3.28Å; P234-Y236 PolarHBondContact O-N 3.01Å; P234-Y237 PolarHBondContact O-N 2.94Å
235	D	56.4	Low	65	Low	110 Å²	110	130.6 Å²	130.6	59%	0.588	63%	0.63	S	S	*	*	H	α-helix	trans	-68	-20.8	-171.4	-71.7	-28.3	0	0	0	114.5	S233 K239	S233-D235 PolarHBondContact O-N 3.4Å; S233-D235 WeakPolarHBondContact OG-CB 3.39Å; S233-D235 PolarHBondContact OG-N 3.24Å; D235-K239 WeakPolarHBondContact O-CB 3.1Å; D235-K239 PolarHBondContact O-N 2.89Å
236	Y	57.7	Low	64.2	Low	177 Å²	177	130.1 Å²	130.1	69%	0.694	63%	0.631	S	S	*	*	H	α-helix	trans	-67.4	-38.3	-179.5	-175.6	-98.4	0	0	0	112.4	P234 K240	P234-Y236 VanDerWaalsContact C-N 3.28Å; P234-Y236 PolarHBondContact O-N 3.01Å; Y236-K240 PolarHBondContact O-N 3.36Å
237	Y	56.7	Low	63.8	Low	182 Å²	182	131.7 Å²	131.7	71%	0.714	63%	0.632	S	S	*	*	H	α-helix	trans	-72	-39.2	178.3	-86.8	-84.5	0	0	0	111.9	P234 K240 Q241	P234-Y237 PolarHBondContact O-N 2.94Å; Y237-K240 PolarHBondContact O-N 2.92Å; Y237-Q241 PolarHBondContact O-N 3.26Å; Y237-Q241 VanDerWaalsContact O-N 3.11Å
238	Q	57.2	Low	63.8	Low	136 Å²	136	133.1 Å²	133.1	64%	0.636	63%	0.634	S	S	*	*	H	α-helix	trans	-68.9	-37	-179.5	-164	156.8	-4.7	0	0	112	Q241 S242	Q238-Q241 PolarHBondContact O-N 3.42Å; Q238-S242 PolarHBondContact O-N 2.89Å
239	K	65.8	Low	64.2	Low	138 Å²	138	133.1 Å²	133.1	60%	0.6	63%	0.626	S	S	*	*	H	α-helix	trans	-67.1	-38.1	174.9	-166.3	172.7	-176.1	175.2	0	112.3	D235 S242 M243	D235-K239 WeakPolarHBondContact O-CB 3.1Å; D235-K239 PolarHBondContact O-N 2.89Å; K239-S242 PolarHBondContact O-N 2.86Å; K239-S242 PolarHBondContact O-OG 3.29Å; K239-M243 HydrophobicContact CG-CE 4.3Å; K239-M243 PolarHBondContact O-N 2.91Å; K239-M243 VanDerWaalsContact O-N 3.1Å
240	K	68.8	Low	64.8	Low	119 Å²	119	127 Å²	127	52%	0.517	61%	0.608	S	S	.	*	H	α-helix	trans	-64.7	-44.7	176.6	-168.1	179	177.8	-171.7	0	111.7	Y236 Y237 S242 M243 E244	Y236-K240 PolarHBondContact O-N 3.36Å; Y237-K240 PolarHBondContact O-N 2.92Å; K240-S242 PolarHBondContact O-N 3.29Å; K240-M243 PolarHBondContact O-N 3.46Å; K240-E244 WeakPolarHBondContact O-CB 3.49Å; K240-E244 PolarHBondContact O-N 3.27Å
241	Q	66.6	Low	65.3	Low	137 Å²	137	120.8 Å²	120.8	64%	0.64	59%	0.591	S	S	*	*	H	α-helix	trans	-60.8	-42.2	175.3	-98.9	177.1	-22.6	0	0	112.5	Y237 Q238 M243 E244 Q245	Y237-Q241 PolarHBondContact O-N 3.26Å; Y237-Q241 VanDerWaalsContact O-N 3.11Å; Q238-Q241 PolarHBondContact O-N 3.42Å; Q241-M243 PolarHBondContact O-N 2.86Å; Q241-E244 PolarHBondContact O-N 3.42Å; Q241-Q245 WeakPolarHBondContact O-CB 3.44Å; Q241-Q245 PolarHBondContact O-N 2.96Å
242	S	65.7	Low	65.8	Low	59 Å²	59	118.6 Å²	118.6	41%	0.413	58%	0.584	S	S	.	*	H	α-helix	trans	-63.5	-40.3	177.9	70.1	0	0	0	0	112.9	Q238 K239 K240 Q245 S246	Q238-S242 PolarHBondContact O-N 2.89Å; K239-S242 PolarHBondContact O-N 2.86Å; K239-S242 PolarHBondContact O-OG 3.29Å; K240-S242 PolarHBondContact O-N 3.29Å; S242-Q245 PolarHBondContact O-N 2.94Å; S242-S246 PolarHBondContact O-N 2.97Å; S242-S246 PolarHBondContact O-OG 3.47Å
243	M	73.4	Confident	66.2	Low	110 Å²	110	118.3 Å²	118.3	54%	0.542	57%	0.574	S	S	.	*	H	α-helix	trans	-70.2	-35	178.5	-75.5	-167.5	-68.7	0	0	112.5	K239 K240 Q241 R247	K239-M243 HydrophobicContact CG-CE 4.3Å; K239-M243 PolarHBondContact O-N 2.91Å; K239-M243 VanDerWaalsContact O-N 3.1Å; K240-M243 PolarHBondContact O-N 3.46Å; Q241-M243 PolarHBondContact O-N 2.86Å; M243-R247 PolarHBondContact O-N 3.05Å; M243-R247 VanDerWaalsContact O-N 3.12Å
244	E	74.7	Confident	66.6	Low	119 Å²	119	120.9 Å²	120.9	56%	0.556	58%	0.58	S	S	*	*	H	α-helix	trans	-69.9	-38.3	177.2	-160.5	162.5	-167.2	0	0	111.1	K240 Q241 R247 L248	K240-E244 WeakPolarHBondContact O-CB 3.49Å; K240-E244 PolarHBondContact O-N 3.27Å; Q241-E244 PolarHBondContact O-N 3.42Å; E244-R247 PolarHBondContact O-N 3.38Å; E244-L248 PolarHBondContact O-N 3.32Å
245	Q	75.6	Confident	66.5	Low	132 Å²	132	122.5 Å²	122.5	62%	0.617	58%	0.583	S	S	*	*	H	α-helix	trans	-67.3	-39.2	174	-169.4	171.4	-7.4	0	0	112.5	Q241 S242 L248 I249	Q241-Q245 WeakPolarHBondContact O-CB 3.44Å; Q241-Q245 PolarHBondContact O-N 2.96Å; S242-Q245 PolarHBondContact O-N 2.94Å; Q245-L248 PolarHBondContact O-N 2.83Å; Q245-I249 WeakPolarHBondContact O-CG1 3.4Å; Q245-I249 PolarHBondContact O-N 2.99Å
246	S	75.3	Confident	66.3	Low	77 Å²	77	124.7 Å²	124.7	54%	0.538	59%	0.59	S	S	.	*	H	α-helix	trans	-66.2	-36.4	175.2	-60.1	0	0	0	0	113.1	S242 I249 Q250	S242-S246 PolarHBondContact O-N 2.97Å; S242-S246 PolarHBondContact O-OG 3.47Å; S246-I249 PolarHBondContact O-N 3.37Å; S246-Q250 PolarHBondContact O-N 3.38Å
247	R	77.2	Confident	66.2	Low	186 Å²	186	124.5 Å²	124.5	70%	0.702	60%	0.595	S	S	*	*	H	α-helix	trans	-66.8	-36.6	176.4	-89.5	-173.9	176.8	175.4	-2.5	113.3	M243 E244 I249 Q250 N251	M243-R247 PolarHBondContact O-N 3.05Å; M243-R247 VanDerWaalsContact O-N 3.12Å; E244-R247 PolarHBondContact O-N 3.38Å; R247-I249 VanDerWaalsContact C-N 3.34Å; R247-Q250 PolarHBondContact O-N 3.37Å; R247-N251 PolarHBondContact O-N 3.12Å; R247-N251 VanDerWaalsContact O-N 3.15Å; R247-N251 PolarHBondContact O-OD1 3.48Å
248	L	76.4	Confident	65.9	Low	119 Å²	119	120 Å²	120	62%	0.623	60%	0.595	S	S	*	*	H	α-helix	trans	-67.7	-35.7	178.3	-82.9	160.8	0	0	0	112.4	E244 Q245 Q252	E244-L248 PolarHBondContact O-N 3.32Å; Q245-L248 PolarHBondContact O-N 2.83Å; L248-Q252 PolarHBondContact O-N 3.26Å
249	I	72.6	Confident	65.7	Low	91 Å²	91	120.1 Å²	120.1	47%	0.467	60%	0.601	S	S	.	*	H	α-helix	trans	-67	-44.5	175.5	-64.1	166.8	0	0	0	109.7	Q245 S246 R247 N251 Q252 D253	Q245-I249 WeakPolarHBondContact O-CG1 3.4Å; Q245-I249 PolarHBondContact O-N 2.99Å; S246-I249 PolarHBondContact O-N 3.37Å; R247-I249 VanDerWaalsContact C-N 3.34Å; I249-N251 PolarHBondContact O-N 3.25Å; I249-Q252 PolarHBondContact O-N 3.03Å; I249-Q252 VanDerWaalsContact O-N 3.16Å; I249-D253 PolarHBondContact O-N 2.87Å
250	Q	71.2	Confident	64.6	Low	108 Å²	108	116.6 Å²	116.6	51%	0.505	60%	0.604	S	S	.	*	H	α-helix	trans	-61.6	-41.4	-179.7	-171.9	176.2	-7.4	0	0	113.1	S246 R247 Q252 D253 E254	S246-Q250 PolarHBondContact O-N 3.38Å; R247-Q250 PolarHBondContact O-N 3.37Å; Q250-Q252 VanDerWaalsContact C-N 3.29Å; Q250-Q252 PolarHBondContact O-N 2.96Å; Q250-D253 PolarHBondContact O-N 2.66Å; Q250-E254 PolarHBondContact NE2-OE1 3.28Å; Q250-E254 VanDerWaalsContact NE2-OE1 3.11Å; Q250-E254 WeakPolarHBondContact O-CG 3.43Å; Q250-E254 PolarHBondContact O-N 3.24Å; Q250-E254 VanDerWaalsContact O-N 3.14Å
251	N	68.4	Low	63.2	Low	91 Å²	91	120.7 Å²	120.7	49%	0.487	63%	0.625	S	S	.	*	H	α-helix	trans	-66.8	-30.6	177.5	-74.9	19.6	0	0	0	112.7	R247 I249 D253 D255	R247-N251 PolarHBondContact O-N 3.12Å; R247-N251 VanDerWaalsContact O-N 3.15Å; R247-N251 PolarHBondContact O-OD1 3.48Å; I249-N251 PolarHBondContact O-N 3.25Å; N251-D253 VanDerWaalsContact C-N 3.35Å; N251-D255 PolarHBondContact O-N 3.4Å
252	Q	62.5	Low	61.9	Low	142 Å²	142	122.9 Å²	122.9	66%	0.664	64%	0.635	S	S	*	*	H	α-helix	trans	-70	-33.1	176.3	-95.6	-176.8	-12.5	0	0	112.7	L248 I249 Q250	L248-Q252 PolarHBondContact O-N 3.26Å; I249-Q252 PolarHBondContact O-N 3.03Å; I249-Q252 VanDerWaalsContact O-N 3.16Å; Q250-Q252 VanDerWaalsContact C-N 3.29Å; Q250-Q252 PolarHBondContact O-N 2.96Å
253	D	60.3	Low	60.4	Low	98 Å²	98	126.8 Å²	126.8	52%	0.524	65%	0.651	S	S	.	*	H	α-helix	trans	-74.5	-35.8	177.4	-63.2	-32.8	0	0	0	111	I249 Q250 N251 Q256	I249-D253 PolarHBondContact O-N 2.87Å; Q250-D253 PolarHBondContact O-N 2.66Å; N251-D253 VanDerWaalsContact C-N 3.35Å; D253-Q256 PolarHBondContact O-N 3.1Å
254	E	57.8	Low	58.6	Low	107 Å²	107	128.4 Å²	128.4	50%	0.5	66%	0.662	S	S	.	*	H	α-helix	trans	-71.4	-36.1	178.5	-72.3	174.8	-173.6	0	0	113	Q250 Q256 E257	Q250-E254 PolarHBondContact NE2-OE1 3.28Å; Q250-E254 VanDerWaalsContact NE2-OE1 3.11Å; Q250-E254 WeakPolarHBondContact O-CG 3.43Å; Q250-E254 PolarHBondContact O-N 3.24Å; Q250-E254 VanDerWaalsContact O-N 3.14Å; E254-Q256 PolarHBondContact O-N 3.06Å; E254-E257 PolarHBondContact O-N 3.27Å
255	D	56.3	Low	56.8	Low	135 Å²	135	130.3 Å²	130.3	72%	0.722	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-13.6	176.5	-72.1	-24.5	0	0	0	113.1	N251	N251-D255 PolarHBondContact O-N 3.4Å
256	Q	52.9	Low	54.9	Low	155 Å²	155	132.9 Å²	132.9	72%	0.724	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-4.9	-176.9	-161	143.3	76.6	0	0	113.1	D253 E254	D253-Q256 PolarHBondContact O-N 3.1Å; E254-Q256 PolarHBondContact O-N 3.06Å
257	E	55.8	Low	52.8	Low	173 Å²	173	138.5 Å²	138.5	81%	0.808	71%	0.706	S	S	*	*	S	Bend	trans	-109.5	-0	177.7	-73.8	-169.9	159.5	0	0	113.6	E254	E254-E257 PolarHBondContact O-N 3.27Å
258	A	50.3	Low	50.8	Low	87 Å²	87	138.6 Å²	138.6	72%	0.719	71%	0.714	S	S	*	*			trans	-99.4	11	-170.5	0	0	0	0	0	115.7
259	D	52.3	Low	48.6	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	73%	0.725	S	S	*	*			trans	-104.3	56.3	179.9	39.4	-30.1	0	0	0	112.5
260	G	42.6	Very low	46.5	Very low	64 Å²	64	144.5 Å²	144.5	66%	0.66	74%	0.737	S	S	*	*	S	Bend	trans	-159.6	110.1	172	0	0	0	0	0	114
261	E	39.9	Very low	44.7	Very low	205 Å²	205	147.3 Å²	147.3	96%	0.958	76%	0.755	S	S	*	*			trans	95.1	99.1	161.9	-56.1	-173.9	176	0	0	117.3
262	E	38.7	Very low	43	Very low	182 Å²	182	151.2 Å²	151.2	85%	0.85	77%	0.77	S	S	*	*			trans	-82.4	178.4	161.5	-66.3	178.3	150.8	0	0	111.1
263	D	34.9	Very low	41.5	Very low	142 Å²	142	152.1 Å²	152.1	76%	0.759	78%	0.78	S	S	*	*			trans	104.5	100.5	166.8	-58.1	-16.6	0	0	0	114
264	D	35.8	Very low	40.2	Very low	143 Å²	143	151 Å²	151	77%	0.765	79%	0.792	S	S	*	*				95.8	116.5	69.5	-95.8	-7	0	0	0	110.6
265	D	35.2	Very low	38.8	Very low	160 Å²	160	151 Å²	151	86%	0.856	81%	0.81	S	S	*	*				162.6	134.8	122.8	-81.6	-31.9	0	0	0	112.2
266	E	36.8	Very low	37.5	Very low	185 Å²	185	156.5 Å²	156.5	86%	0.864	82%	0.821	S	S	*	*			trans	-70.3	156.1	-178.5	-58.5	174.3	153.1	0	0	112.8
267	E	31.3	Very low	36.3	Very low	196 Å²	196	159.7 Å²	159.7	92%	0.916	83%	0.826	S	S	*	*				-179.8	139.4	123.3	-96.8	178.9	-166.2	0	0	111.9
268	E	35.1	Very low	34.9	Very low	187 Å²	187	160.9 Å²	160.9	87%	0.874	82%	0.823	S	S	*	*			trans	-71.1	149.6	178.1	-55.8	178.1	152.4	0	0	111.8
269	E	29.7	Very low	33.8	Very low	181 Å²	181	163 Å²	163	85%	0.846	82%	0.818	S	S	*	*			trans	-155.1	122	141.9	-79.7	-144.1	176.6	0	0	113.3
270	E	29.4	Very low	32.7	Very low	154 Å²	154	168.3 Å²	168.3	72%	0.72	83%	0.828	S	S	*	*			trans	37.2	123.1	137.8	-59.3	-167.3	161.2	0	0	123.2	Q272	E270-Q272 PolarHBondContact O-N 3.28Å
271	D	33.2	Very low	32	Very low	166 Å²	166	172.9 Å²	172.9	89%	0.888	83%	0.832	S	S	*	*			trans	-54.1	117.1	154.4	-84.9	-49.8	0	0	0	111.8
272	Q	32	Very low	31.6	Very low	173 Å²	173	168 Å²	168	81%	0.808	82%	0.82	S	S	*	*			trans	-142.5	109.5	157.3	-99.2	178.7	89.1	0	0	111.1	E270	E270-Q272 PolarHBondContact O-N 3.28Å
273	D	32	Very low	31.7	Very low	161 Å²	161	165 Å²	165	86%	0.861	82%	0.817	S	S	*	*			trans	-80.9	118.6	175.1	44.1	-49.9	0	0	0	112.2
274	G	32.8	Very low	31.5	Very low	76 Å²	76	167.2 Å²	167.2	78%	0.784	82%	0.822	S	S	*	*			trans	125.4	105.1	149.7	0	0	0	0	0	117.3
275	A	28.6	Very low	31	Very low	107 Å²	107	163.7 Å²	163.7	88%	0.884	82%	0.82	S	S	*	*			trans	-143.8	103.6	156.5	0	0	0	0	0	112
276	W	27.7	Very low	30.6	Very low	250 Å²	250	165.8 Å²	165.8	95%	0.947	83%	0.825	S	S	*	*			trans	-88.3	128.6	165.4	-77.2	94.4	0	0	0	111
277	R	27.9	Very low	30.1	Very low	221 Å²	221	160.4 Å²	160.4	83%	0.834	82%	0.819	S	S	*	*			trans	-163.6	102.7	147	-105	-173.1	-167.2	-158.9	5.3	108.9
278	R	27.5	Very low	30.3	Very low	199 Å²	199	160 Å²	160	75%	0.751	81%	0.81	S	S	*	*				89.2	117.1	76.9	-160.7	-169.5	-71.9	140.5	-6	112.8
279	Q	26.9	Very low	30.7	Very low	131 Å²	131	156.5 Å²	156.5	61%	0.612	80%	0.803	S	S	*	*			trans	113.3	93.4	147.5	-145	95.3	15.2	0	0	117.6	E281	Q279-E281 VanDerWaalsContact NE2-CD 3.34Å; Q279-E281 PolarHBondContact NE2-OE2 3.2Å
280	R	27.8	Very low	31.4	Very low	251 Å²	251	153.3 Å²	153.3	95%	0.947	79%	0.792	S	S	*	*				-153.8	120.1	117.8	-126.7	175.7	-178.8	173.6	0.3	109.6
281	E	29.8	Very low	31.9	Very low	161 Å²	161	152.3 Å²	152.3	75%	0.752	79%	0.787	S	S	*	*			trans	-73.3	156.9	-171.8	-73.9	154.2	126.8	0	0	114.1	Q279	Q279-E281 VanDerWaalsContact NE2-CD 3.34Å; Q279-E281 PolarHBondContact NE2-OE2 3.2Å
282	S	30.8	Very low	32.3	Very low	101 Å²	101	148.8 Å²	148.8	71%	0.706	78%	0.782	S	S	*	*			trans	-84.8	161.5	157.7	-161.8	0	0	0	0	109.4
283	P	40.4	Very low	32.9	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	78%	0.783	S	S	*	*				-147.5	163.7	89.9	33.8	-13.9	0	0	0	116.6
284	E	29.9	Very low	33.3	Very low	188 Å²	188	150.6 Å²	150.6	88%	0.879	78%	0.78	S	S	*	*			trans	-49	159.4	167.1	-62.3	156.4	108.5	0	0	115.2
285	G	25.7	Very low	33.8	Very low	69 Å²	69	154.2 Å²	154.2	71%	0.711	77%	0.774	S	S	*	*			trans	159.7	104.9	155.4	0	0	0	0	0	117.6
286	Q	26.6	Very low	34.3	Very low	205 Å²	205	160.1 Å²	160.1	96%	0.958	77%	0.774	S	S	*	*			trans	76.2	123.7	142.4	-72.4	166.1	-5.8	0	0	120.2
287	G	26.1	Very low	35.2	Very low	71 Å²	71	151.8 Å²	151.8	73%	0.732	76%	0.758	S	S	*	*			trans	-101.6	173.1	-177.3	0	0	0	0	0	115.4
288	Y	36.8	Very low	36.1	Very low	189 Å²	189	145.5 Å²	145.5	74%	0.741	74%	0.744	S	S	*	*			trans	72.9	143.1	160	-105	-114.6	0	0	0	117.2	D290	Y288-D290 HydrophobicContact CD1-CB 3.79Å; Y288-D290 HydrophobicContact CE1-CB 3.42Å; Y288-D290 VanDerWaalsContact CE1-CB 3.42Å; Y288-D290 WeakPolarHBondContact CE1-OD2 3.44Å
289	P	42.6	Very low	36.9	Very low	112 Å²	112	139.6 Å²	139.6	73%	0.727	74%	0.738	S	S	*	*				-139.1	140.3	70.1	31.3	-10.8	0	0	0	117.5	E291	P289-E291 PolarHBondContact O-N 3.36Å
290	D	45.6	Very low	37.9	Very low	115 Å²	115	137.9 Å²	137.9	62%	0.615	74%	0.74	S	S	*	*			trans	-43.1	107.7	135	-107.1	-29.5	0	0	0	109.4	Y288	Y288-D290 HydrophobicContact CD1-CB 3.79Å; Y288-D290 HydrophobicContact CE1-CB 3.42Å; Y288-D290 VanDerWaalsContact CE1-CB 3.42Å; Y288-D290 WeakPolarHBondContact CE1-OD2 3.44Å
291	E	40.3	Very low	38.8	Very low	132 Å²	132	136 Å²	136	62%	0.617	73%	0.733	S	S	*	*			trans	-150.4	20.3	159.5	-137.5	-159.3	147.8	0	0	114	P289 K295	P289-E291 PolarHBondContact O-N 3.36Å; E291-K295 IonicContact OE1-NZ 2.74Å; E291-K295 PolarHBondContact OE1-NZ 2.83Å
292	A	40.8	Very low	39.5	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	74%	0.735	S	S	*	*	S	Bend	trans	-111.7	-16.8	179	0	0	0	0	0	114.6
293	L	43.9	Very low	40.3	Very low	160 Å²	160	140.1 Å²	140.1	84%	0.838	74%	0.741	S	S	*	*	S	Bend	trans	-115	-5.6	-174.9	-83.4	163.5	0	0	0	115.7
294	R	41.8	Very low	40.9	Very low	211 Å²	211	141.4 Å²	141.4	80%	0.796	74%	0.741	S	S	*	*	S	Bend	trans	-99.9	-2.3	176.6	-151	176.3	-175.7	-174.8	0.9	114.9
295	K	41.6	Very low	41.9	Very low	152 Å²	152	141 Å²	141	66%	0.661	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	5.2	-179.2	-103.5	172.4	176.9	158.8	0	115.6	E291	E291-K295 IonicContact OE1-NZ 2.74Å; E291-K295 PolarHBondContact OE1-NZ 2.83Å
296	R	40.2	Very low	42.9	Very low	232 Å²	232	147.2 Å²	147.2	88%	0.875	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-8.8	168.5	-152.7	168.5	-169.9	163.7	3.7	114.6
297	A	46.8	Very low	43.7	Very low	74 Å²	74	146.7 Å²	146.7	61%	0.612	75%	0.748	S	S	*	*	S	Bend	trans	-96.4	-1.3	179.7	0	0	0	0	0	114.1
298	V	47	Very low	44.5	Very low	90 Å²	90	152.6 Å²	152.6	55%	0.545	78%	0.778	S	S	.	*	S	Bend	trans	-123.1	3	179.7	-163.7	0	0	0	0	112.2	S300	V298-S300 PolarHBondContact O-N 3.12Å
299	A	44.4	Very low	44.9	Very low	75 Å²	75	150.8 Å²	150.8	62%	0.62	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	9.9	170.7	0	0	0	0	0	113
300	S	48	Very low	45	Very low	95 Å²	95	152.8 Å²	152.8	66%	0.664	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	21.6	-176.4	67.1	0	0	0	0	113.4	V298	V298-S300 PolarHBondContact O-N 3.12Å
301	R	46.5	Very low	44.9	Very low	210 Å²	210	154.9 Å²	154.9	79%	0.792	79%	0.792	S	S	*	*	S	Bend	trans	-146.2	16.1	179	-136.2	175.4	92.7	162.3	7.6	116.4
302	E	44.2	Very low	45.2	Very low	169 Å²	169	156.3 Å²	156.3	79%	0.79	80%	0.802	S	S	*	*	S	Bend	trans	-128.7	10.6	173.1	-72.1	-176	167.9	0	0	112.8	D304	E302-D304 VanDerWaalsContact C-N 3.25Å
303	E	47	Very low	45.5	Very low	180 Å²	180	160.3 Å²	160.3	84%	0.841	80%	0.804	S	S	*	*	S	Bend	trans	-83.8	3.7	164.8	-72.2	-174	168.6	0	0	112.7
304	D	52.2	Low	45.6	Very low	147 Å²	147	160.3 Å²	160.3	79%	0.786	80%	0.802	S	S	*	*	S	Bend	trans	-111	8.9	-173.5	-80.3	-30	0	0	0	115.7	E302	E302-D304 VanDerWaalsContact C-N 3.25Å
305	E	52.5	Low	45.9	Very low	181 Å²	181	156.6 Å²	156.6	85%	0.846	80%	0.803	S	S	*	*	S	Bend	trans	-126.5	-2.5	-179.4	-80.4	-168.5	170.4	0	0	118.6
306	E	45.7	Very low	46.2	Very low	199 Å²	199	157 Å²	157	93%	0.93	81%	0.813	S	S	*	*	S	Bend	trans	-144.9	60.6	169.2	-76.9	-166.3	158.1	0	0	114
307	E	44.6	Very low	46.7	Very low	193 Å²	193	150.8 Å²	150.8	90%	0.902	81%	0.808	S	S	*	*			trans	-134.1	139	133.9	-159.3	169.1	-170.9	0	0	107.1
308	S	41.4	Very low	46.7	Very low	196 Å²	196	157.7 Å²	157.7	100%	1.371	83%	0.826	S	S	*	*			trans	-51.6	0	-177.4	-69.7	0	0	0	0	115.4

Retrieved 308 of 308 residues in 216.6 ms (Link to these results)

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