A0A087Y951_POEFO Loading...

Thymidine kinase 2

AlphaFold DB , UniProt , Accession A0A087Y951, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 258 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	43.7	Very low	38.6	Very low	233 Å²	233	112.5 Å²	112.5	100%	1.148	62%	0.615	S	S	*	*				0	116.4	0	-74.6	171.8	69.5	0	0	108.3
2	T	39.7	Very low	39.5	Very low	110 Å²	110	107.8 Å²	107.8	68%	0.675	59%	0.585	S	S	*	*			trans	-74.4	145.9	-173.8	48.1	0	0	0	0	111.2	A4 A5	T2-A4 PolarHBondContact O-N 3.24Å; T2-A5 PolarHBondContact O-N 3.34Å
3	A	35.7	Very low	40.2	Very low	78 Å²	78	110.1 Å²	110.1	65%	0.645	58%	0.58	S	S	*	*	H	α-helix	trans	-56	-15.8	-177.2	0	0	0	0	0	114.7	R7	A3-R7 PolarHBondContact O-N 3.4Å
4	A	34.8	Very low	40.6	Very low	70 Å²	70	105.9 Å²	105.9	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-72	-39.8	175.1	0	0	0	0	0	113.3	T2 R7 F8	T2-A4 PolarHBondContact O-N 3.24Å; A4-R7 PolarHBondContact O-N 3.08Å; A4-F8 PolarHBondContact O-N 3.35Å
5	A	31.3	Very low	41.2	Very low	45 Å²	45	103.7 Å²	103.7	37%	0.372	57%	0.566	S	S	.	*	H	α-helix	trans	-68.6	-37.4	177.6	0	0	0	0	0	111.5	T2 R7 F8 F9	T2-A5 PolarHBondContact O-N 3.34Å; A5-R7 VanDerWaalsContact C-N 3.34Å; A5-R7 PolarHBondContact O-N 3.17Å; A5-F8 PolarHBondContact O-N 2.92Å; A5-F9 PolarHBondContact O-N 3.3Å; A5-F9 VanDerWaalsContact O-N 3.12Å
6	A	29.5	Very low	41.4	Very low	53 Å²	53	99.8 Å²	99.8	44%	0.438	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-37.3	173.8	0	0	0	0	0	112.1	L10	A6-L10 VanDerWaalsContact O-CB 3.28Å; A6-L10 WeakPolarHBondContact O-CB 3.35Å; A6-L10 WeakPolarHBondContact O-CD1 3.03Å; A6-L10 PolarHBondContact O-N 3.45Å
7	R	38	Very low	41.6	Very low	184 Å²	184	102.2 Å²	102.2	69%	0.694	54%	0.544	S	S	*	.	H	α-helix	trans	-69.3	-36.3	175.4	-85.9	-178.6	179.6	-155.9	0.1	113.3	A3 A4 A5 L10 N11	A3-R7 PolarHBondContact O-N 3.4Å; A4-R7 PolarHBondContact O-N 3.08Å; A5-R7 VanDerWaalsContact C-N 3.34Å; A5-R7 PolarHBondContact O-N 3.17Å; R7-L10 PolarHBondContact O-N 3.3Å; R7-N11 VanDerWaalsContact O-CB 3.29Å; R7-N11 WeakPolarHBondContact O-CB 3.43Å; R7-N11 VanDerWaalsContact O-CG 3.26Å; R7-N11 PolarHBondContact O-N 3.33Å; R7-N11 PolarHBondContact O-ND2 3.07Å
8	F	44.8	Very low	41.7	Very low	119 Å²	119	101.8 Å²	101.8	52%	0.522	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-49.1	173	-176.8	-96.4	0	0	0	111	A4 A5 L10 N11 F12	A4-F8 PolarHBondContact O-N 3.35Å; A5-F8 PolarHBondContact O-N 2.92Å; F8-L10 PolarHBondContact O-N 2.78Å; F8-N11 PolarHBondContact O-N 2.92Å; F8-F12 VanDerWaalsContact O-CB 3.25Å; F8-F12 WeakPolarHBondContact O-CB 3.38Å; F8-F12 PolarHBondContact O-N 3.39Å
9	F	40.9	Very low	41.8	Very low	146 Å²	146	99 Å²	99	64%	0.64	54%	0.535	S	S	*	.	H	α-helix	trans	-60.9	-42.4	175.1	-93.1	-87	0	0	0	112.5	A5 W13	A5-F9 PolarHBondContact O-N 3.3Å; A5-F9 VanDerWaalsContact O-N 3.12Å; F9-W13 VanDerWaalsContact O-CB 3.31Å; F9-W13 WeakPolarHBondContact O-CB 3.42Å; F9-W13 PolarHBondContact O-N 2.84Å
10	L	39.6	Very low	41.6	Very low	94 Å²	94	96.9 Å²	96.9	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-67.5	-35.1	178.1	-90.8	151.8	0	0	0	113.3	A6 R7 F8 S14	A6-L10 VanDerWaalsContact O-CB 3.28Å; A6-L10 WeakPolarHBondContact O-CB 3.35Å; A6-L10 WeakPolarHBondContact O-CD1 3.03Å; A6-L10 PolarHBondContact O-N 3.45Å; R7-L10 PolarHBondContact O-N 3.3Å; F8-L10 PolarHBondContact O-N 2.78Å; L10-S14 WeakPolarHBondContact O-CA 3.4Å; L10-S14 WeakPolarHBondContact O-CB 3.33Å; L10-S14 PolarHBondContact O-N 3.38Å; L10-S14 PolarHBondContact O-OG 3.49Å
11	N	47	Very low	41.2	Very low	105 Å²	105	102.1 Å²	102.1	56%	0.561	54%	0.537	S	S	*	.	H	α-helix	trans	-78.5	-37.4	177.4	-73.8	-17.3	0	0	0	112.2	R7 F8 S14 A15	R7-N11 VanDerWaalsContact O-CB 3.29Å; R7-N11 WeakPolarHBondContact O-CB 3.43Å; R7-N11 VanDerWaalsContact O-CG 3.26Å; R7-N11 PolarHBondContact O-N 3.33Å; R7-N11 PolarHBondContact O-ND2 3.07Å; F8-N11 PolarHBondContact O-N 2.92Å; N11-S14 WeakPolarHBondContact CA-OG 3.33Å; N11-S14 PolarHBondContact O-N 3.12Å; N11-S14 PolarHBondContact O-OG 3.3Å; N11-A15 WeakPolarHBondContact O-CB 3.15Å; N11-A15 PolarHBondContact O-N 2.84Å
12	F	49.3	Very low	41	Very low	57 Å²	57	96.5 Å²	96.5	25%	0.25	52%	0.516	C	S	.	.	H	α-helix	trans	-61.2	-46.7	170.7	-177.3	-99.5	0	0	0	110.5	F8 L16 W161	F8-F12 VanDerWaalsContact O-CB 3.25Å; F8-F12 WeakPolarHBondContact O-CB 3.38Å; F8-F12 PolarHBondContact O-N 3.39Å; F12-L16 HydrophobicContact CD1-CD1 3.96Å; F12-L16 HydrophobicContact CE1-CD1 3.56Å; F12-L16 HydrophobicContact CZ-CD1 3.91Å; F12-L16 WeakPolarHBondContact O-CD1 3.32Å; F12-L16 WeakPolarHBondContact O-CG 3.22Å; F12-L16 PolarHBondContact O-N 2.81Å; F12-W161 HydrophobicContact CE1-CH2 4.13Å; F12-W161 HydrophobicContact CE1-CZ3 4.38Å; F12-W161 AromaticContact CE2-CH2 3.97Å; F12-W161 HydrophobicContact CE2-CH2 3.97Å; F12-W161 AromaticContact CE2-CZ3 3.87Å; F12-W161 HydrophobicContact CE2-CZ3 3.87Å; F12-W161 AromaticContact CZ-CH2 3.61Å; F12-W161 HydrophobicContact CZ-CH2 3.61Å; F12-W161 AromaticContact CZ-CZ3 3.5Å; F12-W161 HydrophobicContact CZ-CZ3 3.5Å; F12-W161 VanDerWaalsContact CZ-CZ3 3.5Å
13	W	48	Very low	41.1	Very low	137 Å²	137	96.6 Å²	96.6	52%	0.519	52%	0.516	S	S	.	.	H	α-helix	trans	-70.7	-30.3	174.8	-125.1	94.5	0	0	0	113	F9 L16 R17 V20	F9-W13 VanDerWaalsContact O-CB 3.31Å; F9-W13 WeakPolarHBondContact O-CB 3.42Å; F9-W13 PolarHBondContact O-N 2.84Å; W13-L16 CarbonylContact O-C 3.39Å; W13-L16 PolarHBondContact O-N 2.79Å; W13-R17 HydrophobicContact CE3-CG 4.04Å; W13-R17 HydrophobicContact CZ3-CG 4.4Å; W13-R17 WeakPolarHBondContact O-CG 3.43Å; W13-R17 PolarHBondContact O-N 3.37Å; W13-V20 HydrophobicContact CH2-CB 4.27Å; W13-V20 HydrophobicContact CH2-CG1 3.89Å; W13-V20 HydrophobicContact CH2-CG2 3.96Å; W13-V20 HydrophobicContact CZ3-CB 4.21Å; W13-V20 HydrophobicContact CZ3-CG1 4.24Å; W13-V20 HydrophobicContact CZ3-CG2 4Å
14	S	46.7	Very low	41	Very low	51 Å²	51	102 Å²	102	36%	0.357	53%	0.525	S	S	.	.	H	α-helix	trans	-75.4	-33.6	176.9	83.2	0	0	0	0	112.9	L10 N11 L16 R17 P18	L10-S14 WeakPolarHBondContact O-CA 3.4Å; L10-S14 WeakPolarHBondContact O-CB 3.33Å; L10-S14 PolarHBondContact O-N 3.38Å; L10-S14 PolarHBondContact O-OG 3.49Å; N11-S14 WeakPolarHBondContact CA-OG 3.33Å; N11-S14 PolarHBondContact O-N 3.12Å; N11-S14 PolarHBondContact O-OG 3.3Å; S14-L16 PolarHBondContact O-N 3.13Å; S14-R17 WeakPolarHBondContact O-CB 3.36Å; S14-R17 PolarHBondContact O-N 2.88Å; S14-P18 VanDerWaalsContact O-CD 3.3Å; S14-P18 WeakPolarHBondContact O-CD 3.21Å
15	A	48.5	Very low	41	Very low	73 Å²	73	103 Å²	103	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-61.9	-31.7	167.2	0	0	0	0	0	111.2	N11	N11-A15 WeakPolarHBondContact O-CB 3.15Å; N11-A15 PolarHBondContact O-N 2.84Å
16	L	45.5	Very low	41.3	Very low	41 Å²	41	105.1 Å²	105.1	22%	0.215	55%	0.554	C	S	.	*	S	Bend	trans	-85.2	-11.1	172	-66.8	165.9	0	0	0	114	F12 W13 S14 V19 V20	F12-L16 HydrophobicContact CD1-CD1 3.96Å; F12-L16 HydrophobicContact CE1-CD1 3.56Å; F12-L16 HydrophobicContact CZ-CD1 3.91Å; F12-L16 WeakPolarHBondContact O-CD1 3.32Å; F12-L16 WeakPolarHBondContact O-CG 3.22Å; F12-L16 PolarHBondContact O-N 2.81Å; W13-L16 CarbonylContact O-C 3.39Å; W13-L16 PolarHBondContact O-N 2.79Å; S14-L16 PolarHBondContact O-N 3.13Å; L16-V19 WeakPolarHBondContact O-CA 3.26Å; L16-V19 VanDerWaalsContact O-CB 3.25Å; L16-V19 WeakPolarHBondContact O-CB 3.16Å; L16-V19 PolarHBondContact O-N 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.31Å
17	R	44.4	Very low	41.3	Very low	141 Å²	141	105.7 Å²	105.7	53%	0.532	57%	0.566	S	S	.	*	H	α-helix	trans	-62.9	-38.3	-176.1	-90.5	177.4	-172.1	-153.7	-1	114.7	W13 S14 V19 R21	W13-R17 HydrophobicContact CE3-CG 4.04Å; W13-R17 HydrophobicContact CZ3-CG 4.4Å; W13-R17 WeakPolarHBondContact O-CG 3.43Å; W13-R17 PolarHBondContact O-N 3.37Å; S14-R17 WeakPolarHBondContact O-CB 3.36Å; S14-R17 PolarHBondContact O-N 2.88Å; R17-V19 PolarHBondContact O-N 3.31Å; R17-R21 PolarHBondContact O-N 2.86Å
18	P	42.7	Very low	41.3	Very low	96 Å²	96	103.8 Å²	103.8	62%	0.623	57%	0.574	S	S	*	*	H	α-helix	trans	-63.3	-23.6	171.2	-19.9	31.5	0	0	0	112.5	S14	S14-P18 VanDerWaalsContact O-CD 3.3Å; S14-P18 WeakPolarHBondContact O-CD 3.21Å
19	V	43.7	Very low	40.5	Very low	48 Å²	48	109.9 Å²	109.9	29%	0.291	59%	0.594	S	S	.	*	H	α-helix	trans	-87.5	-33.7	-174.9	-175.5	0	0	0	0	111.9	L16 R17 L39	L16-V19 WeakPolarHBondContact O-CA 3.26Å; L16-V19 VanDerWaalsContact O-CB 3.25Å; L16-V19 WeakPolarHBondContact O-CB 3.16Å; L16-V19 PolarHBondContact O-N 3.31Å; R17-V19 PolarHBondContact O-N 3.31Å; V19-L39 HydrophobicContact CG1-CB 4.24Å; V19-L39 HydrophobicContact CG1-CD1 3.97Å; V19-L39 HydrophobicContact CG1-CD2 3.74Å; V19-L39 HydrophobicContact CG1-CG 4.2Å
20	V	37.9	Very low	40.1	Very low	57 Å²	57	106.8 Å²	106.8	35%	0.345	60%	0.603	S	S	.	*	H	α-helix	trans	-80.3	-26.7	178.9	-176.8	0	0	0	0	113.3	W13 L16 T22 V23	W13-V20 HydrophobicContact CH2-CB 4.27Å; W13-V20 HydrophobicContact CH2-CG1 3.89Å; W13-V20 HydrophobicContact CH2-CG2 3.96Å; W13-V20 HydrophobicContact CZ3-CB 4.21Å; W13-V20 HydrophobicContact CZ3-CG1 4.24Å; W13-V20 HydrophobicContact CZ3-CG2 4Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.31Å; V20-T22 VanDerWaalsContact C-N 3.28Å; V20-T22 PolarHBondContact O-N 2.79Å; V20-V23 PolarHBondContact O-N 2.78Å
21	R	34.6	Very low	39.6	Very low	207 Å²	207	110.3 Å²	110.3	78%	0.781	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-63.5	-28.8	-176.1	-100.3	-177.4	171.7	175.6	-2.9	114.1	R17 V23 K24	R17-R21 PolarHBondContact O-N 2.86Å; R21-V23 PolarHBondContact O-N 3.14Å; R21-K24 PolarHBondContact O-N 2.86Å
22	T	38.9	Very low	39	Very low	114 Å²	114	116.9 Å²	116.9	70%	0.699	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-69.1	-17	-179.6	-39.4	0	0	0	0	113.1	V20	V20-T22 VanDerWaalsContact C-N 3.28Å; V20-T22 PolarHBondContact O-N 2.79Å
23	V	40.7	Very low	38.2	Very low	113 Å²	113	120.8 Å²	120.8	69%	0.685	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-81.7	-19	-179.1	-178.2	0	0	0	0	112.6	V20 R21	V20-V23 PolarHBondContact O-N 2.78Å; R21-V23 PolarHBondContact O-N 3.14Å
24	K	34.4	Very low	37.7	Very low	192 Å²	192	116.3 Å²	116.3	84%	0.835	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-5.6	-172.1	-75.3	-164.6	175.7	-173.2	0	116.7	R21	R21-K24 PolarHBondContact O-N 2.86Å
25	S	33.8	Very low	37.6	Very low	89 Å²	89	119.7 Å²	119.7	62%	0.622	68%	0.681	S	S	*	*			trans	-107.6	86.2	173.7	61.9	0	0	0	0	110.5	G27	S25-G27 PolarHBondContact O-N 2.79Å
26	G	39.4	Very low	37.1	Very low	91 Å²	91	122.5 Å²	122.5	94%	0.938	69%	0.693	S	S	*	*			trans	-58.2	104.1	159.8	0	0	0	0	0	109
27	G	27.9	Very low	37.6	Very low	65 Å²	65	124.1 Å²	124.1	67%	0.67	72%	0.72	S	S	*	*			trans	-151.7	100.8	176.4	0	0	0	0	0	108.1	S25 R29	S25-G27 PolarHBondContact O-N 2.79Å; G27-R29 PolarHBondContact O-N 2.7Å; G27-R29 VanDerWaalsContact O-N 3.15Å
28	T	37.7	Very low	38.7	Very low	143 Å²	143	122.1 Å²	122.1	88%	0.877	72%	0.715	S	S	*	*			trans	-45.8	111.4	178.6	33.2	0	0	0	0	112.8
29	R	30	Very low	39.9	Very low	248 Å²	248	120.8 Å²	120.8	94%	0.936	70%	0.702	S	S	*	*	S	Bend	trans	-171.5	105.9	138.3	-100.6	167.5	-149.2	-161.7	6.5	110.7	G27	G27-R29 PolarHBondContact O-N 2.7Å; G27-R29 VanDerWaalsContact O-N 3.15Å
30	G	30.7	Very low	40.8	Very low	80 Å²	80	123 Å²	123	83%	0.825	71%	0.711	S	S	*	*			trans	72.6	67.5	151.5	0	0	0	0	0	118.6
31	I	30.5	Very low	41.9	Very low	168 Å²	168	126.2 Å²	126.2	86%	0.862	72%	0.717	S	S	*	*			trans	-76.4	120.6	162.1	-62	172.3	0	0	0	107.9
32	R	34.4	Very low	42.4	Very low	244 Å²	244	122.4 Å²	122.4	92%	0.921	72%	0.721	S	S	*	*			trans	-105.2	136	163.2	-77.9	-171.9	170.8	-159.2	-1.8	109.1	G34	R32-G34 PolarHBondContact O-N 2.93Å
33	T	31.8	Very low	43.2	Very low	139 Å²	139	119.5 Å²	119.5	85%	0.853	71%	0.714	S	S	*	*			trans	-74.7	106.3	-164.4	50.2	0	0	0	0	112.8
34	G	37.8	Very low	43.9	Very low	43 Å²	43	115.6 Å²	115.6	44%	0.443	69%	0.69	S	S	.	*			trans	-84.7	168.3	147.9	0	0	0	0	0	110	R32	R32-G34 PolarHBondContact O-N 2.93Å
35	T	43.3	Very low	44.8	Very low	121 Å²	121	112 Å²	112	74%	0.742	69%	0.688	S	S	*	*	S	Bend	trans	-44.1	128.4	178	-28.4	0	0	0	0	110.5	G37	T35-G37 PolarHBondContact O-N 3.33Å
36	P	39.3	Very low	46	Very low	132 Å²	132	119 Å²	119	86%	0.857	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	116.9	-169.4	-14.7	24.9	0	0	0	111
37	G	56.7	Low	47.9	Very low	75 Å²	75	117.7 Å²	117.7	77%	0.773	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.8	-14	162.6	0	0	0	0	0	118.5	T35	T35-G37 PolarHBondContact O-N 3.33Å
38	K	66.3	Low	50.9	Low	99 Å²	99	115 Å²	115	43%	0.43	64%	0.638	S	S	.	*			trans	-83.8	139.3	178.9	-66.2	-160.4	-179.9	-166.2	0	112.7	M40 T166 T167	K38-M40 PolarHBondContact O-N 2.59Å; K38-T166 PolarHBondContact NZ-O 3.23Å; K38-T167 VanDerWaalsContact CE-O 3.27Å; K38-T167 WeakPolarHBondContact CE-O 3.45Å; K38-T167 WeakPolarHBondContact CG-O 3.38Å
39	L	67.2	Low	53.5	Low	68 Å²	68	108.8 Å²	108.8	36%	0.356	60%	0.6	S	S	.	*	B	Isolated β-bridge	trans	-66	115.5	170.4	-64.2	169.7	0	0	0	108.9	V19 N168 S170	V19-L39 HydrophobicContact CG1-CB 4.24Å; V19-L39 HydrophobicContact CG1-CD1 3.97Å; V19-L39 HydrophobicContact CG1-CD2 3.74Å; V19-L39 HydrophobicContact CG1-CG 4.2Å; L39-N168 VanDerWaalsContact CB-O 3.3Å; L39-N168 WeakPolarHBondContact CB-O 3.4Å; L39-N168 WeakPolarHBondContact CG-O 3.5Å; L39-N168 PolarHBondContact N-O 2.68Å; L39-S170 PolarHBondContact O-N 3.1Å
40	M	63.3	Low	56.7	Low	96 Å²	96	97 Å²	97	47%	0.473	56%	0.556	S	S	.	*			trans	-118	146.8	176.8	-64	-175.7	77.2	0	0	109.9	K38 D44	K38-M40 PolarHBondContact O-N 2.59Å; M40-D44 HydrophobicContact CE-CB 3.77Å; M40-D44 WeakPolarHBondContact CE-OD2 3.49Å
41	R	60.4	Low	59.9	Low	124 Å²	124	93.1 Å²	93.1	47%	0.468	52%	0.516	S	S	.	.			trans	-76.9	143.8	167.7	-102.7	-177	163.3	-158.5	-2.6	110	G43 L119	R41-G43 PolarHBondContact O-N 2.76Å; R41-L119 WeakPolarHBondContact CD-O 3.46Å; R41-L119 PolarHBondContact NE-O 3.28Å; R41-L119 VanDerWaalsContact NE-O 3.11Å; R41-L119 PolarHBondContact NH1-O 3.27Å
42	S	46.7	Very low	63.1	Low	126 Å²	126	85.1 Å²	85.1	88%	0.881	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	133.6	176.1	-163.7	0	0	0	0	111	R47	S42-R47 PolarHBondContact O-NH2 3.11Å
43	G	55.3	Low	66.2	Low	53 Å²	53	73.5 Å²	73.5	55%	0.546	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	14.8	179.3	0	0	0	0	0	116.8	R41 S45 R47	R41-G43 PolarHBondContact O-N 2.76Å; G43-S45 PolarHBondContact O-N 3.3Å; G43-R47 PolarHBondContact O-NE 3.09Å; G43-R47 PolarHBondContact O-NH2 2.91Å
44	D	55.8	Low	69.3	Low	32 Å²	32	66.9 Å²	66.9	17%	0.171	39%	0.391	C	S	.	.			trans	-77	-6.9	-170.2	-133.9	13.3	0	0	0	116.5	M40 R46 R47	M40-D44 HydrophobicContact CE-CB 3.77Å; M40-D44 WeakPolarHBondContact CE-OD2 3.49Å; D44-R46 PolarHBondContact O-N 2.92Å; D44-R47 IonicContact OD1-CZ 3.53Å; D44-R47 IonicContact OD1-NE 3.99Å; D44-R47 IonicContact OD1-NH1 2.74Å; D44-R47 PolarHBondContact OD1-NH1 3.31Å
45	S	53.2	Low	72.2	Confident	116 Å²	116	64.9 Å²	64.9	81%	0.811	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	22.6	-160.2	71	0	0	0	0	116.3	G43	G43-S45 PolarHBondContact O-N 3.3Å
46	R	59.2	Low	74.7	Confident	235 Å²	235	59.8 Å²	59.8	89%	0.887	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-166.1	27.2	-179.6	-118.9	174.7	-163.8	145.8	2.1	115.1	D44	D44-R46 PolarHBondContact O-N 2.92Å
47	R	79.1	Confident	77.4	Confident	65 Å²	65	54.1 Å²	54.1	25%	0.245	30%	0.302	C	S	.	.			trans	-100.4	134.9	-173.1	-60.9	178.8	-173.7	152	-5.1	110.6	S42 G43 D44 N174	S42-R47 PolarHBondContact O-NH2 3.11Å; G43-R47 PolarHBondContact O-NE 3.09Å; G43-R47 PolarHBondContact O-NH2 2.91Å; D44-R47 IonicContact OD1-CZ 3.53Å; D44-R47 IonicContact OD1-NE 3.99Å; D44-R47 IonicContact OD1-NH1 2.74Å; D44-R47 PolarHBondContact OD1-NH1 3.31Å; R47-N174 PolarHBondContact O-OD1 3.08Å
48	T	89.7	Confident	79.4	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.5	174.2	-50.5	0	0	0	0	109.6	I50 P125 V126 T127 N174 A255 T256	T48-I50 HydrophobicContact CG2-CG1 4.17Å; T48-P125 PolarHBondContact N-O 3.47Å; T48-V126 WeakPolarHBondContact O-CA 3.36Å; T48-T127 PolarHBondContact O-N 3.04Å; T48-N174 WeakPolarHBondContact CA-OD1 3.25Å; T48-N174 HydrophobicContact CG2-CB 3.92Å; T48-A255 HydrophobicContact CG2-CB 4.37Å; T48-A255 WeakPolarHBondContact CG2-O 3.43Å; T48-T256 HydrophobicContact CG2-CG2 3.67Å; T48-T256 WeakPolarHBondContact OG1-CA 3.37Å; T48-T256 WeakPolarHBondContact OG1-CB 3.21Å; T48-T256 WeakPolarHBondContact OG1-CG2 3.39Å
49	V	93.7	Very high	80.8	Confident	12 Å²	12	46.7 Å²	46.7	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.5	176.1	-179.9	0	0	0	0	109.2	T127 M129 P172 N174 L175	V49-T127 WeakPolarHBondContact CA-O 3.41Å; V49-M129 HydrophobicContact CG1-CG 4.36Å; V49-M129 HydrophobicContact CG1-SD 3.73Å; V49-P172 WeakPolarHBondContact CB-O 3.49Å; V49-P172 WeakPolarHBondContact CG1-O 3.36Å; V49-P172 HydrophobicContact CG2-CG 4.27Å; V49-P172 WeakPolarHBondContact CG2-O 3.48Å; V49-N174 PolarHBondContact N-OD1 3.36Å; V49-N174 PolarHBondContact O-N 3.31Å; V49-L175 PolarHBondContact O-N 3.31Å
50	I	96.1	Very high	82.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.8	177.8	-54.4	174.9	0	0	0	107.5	T48 V126 T127 M128 M129 L175 V177 I252	T48-I50 HydrophobicContact CG2-CG1 4.17Å; I50-V126 HydrophobicContact CD1-CG1 3.66Å; I50-V126 HydrophobicContact CG1-CG1 4.2Å; I50-T127 PolarHBondContact N-O 3.36Å; I50-M128 HydrophobicContact CD1-CE 4.33Å; I50-M128 HydrophobicContact CG2-CE 4.28Å; I50-M128 CarbonylContact O-C 3.52Å; I50-M128 WeakPolarHBondContact O-CA 3.36Å; I50-M129 PolarHBondContact O-N 3.37Å; I50-L175 CarbonylContact C-O 3.54Å; I50-L175 WeakPolarHBondContact CA-O 3.33Å; I50-L175 HydrophobicContact CG1-CB 4.29Å; I50-L175 HydrophobicContact CG2-CB 4.28Å; I50-L175 HydrophobicContact CG2-CD2 4.15Å; I50-L175 HydrophobicContact CG2-CG 4.36Å; I50-V177 HydrophobicContact CG2-CG2 3.72Å; I50-I252 HydrophobicContact CD1-CG2 3.81Å; I50-I252 WeakPolarHBondContact CD1-O 3.36Å
51	C	97.7	Very high	83.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.2	174.5	-68.1	0	0	0	0	109.8	V173 L175 I176 V177	C51-V173 HydrophobicContact CB-CG1 4.29Å; C51-L175 PolarHBondContact N-O 3.13Å; C51-I176 HydrophobicContact CB-CG1 4.45Å; C51-I176 CarbonylContact O-C 3.59Å; C51-I176 VanDerWaalsContact O-CA 3.32Å; C51-I176 WeakPolarHBondContact O-CA 3.31Å; C51-V177 PolarHBondContact O-N 2.99Å
52	V	98.4	Very high	85.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.6	173.6	-172.3	0	0	0	0	108.3	K60 L64 M128 M129 R131 V177 L179	V52-K60 HydrophobicContact CG1-CB 4.28Å; V52-K60 HydrophobicContact CG1-CG 4.1Å; V52-K60 WeakPolarHBondContact O-CD 3.45Å; V52-L64 HydrophobicContact CB-CD1 3.71Å; V52-L64 HydrophobicContact CG1-CD1 4.16Å; V52-L64 HydrophobicContact CG2-CD1 3.6Å; V52-M128 HydrophobicContact CG2-CG 3.66Å; V52-M128 HydrophobicContact CG2-SD 3.81Å; V52-M129 PolarHBondContact N-O 2.92Å; V52-R131 PolarHBondContact O-N 2.81Å; V52-V177 CarbonylContact C-O 3.57Å; V52-V177 WeakPolarHBondContact CA-O 3.26Å; V52-V177 HydrophobicContact CG2-CB 4.36Å; V52-L179 HydrophobicContact CG1-CD1 4Å; V52-L179 HydrophobicContact CG1-CG 4Å
53	E	98.7	Very high	87.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	158.3	-178.1	-63.1	-65.4	175.7	0	0	110.9	R131 S132 S135 I176 V177 L179 W216 L217	E53-R131 WeakPolarHBondContact OE1-CA 3.47Å; E53-R131 IonicContact OE2-NH1 3.3Å; E53-S132 VanDerWaalsContact OE1-CB 3.31Å; E53-S132 WeakPolarHBondContact OE1-CB 3.31Å; E53-S132 PolarHBondContact OE1-N 3.41Å; E53-S132 PolarHBondContact OE1-OG 3.02Å; E53-S135 WeakPolarHBondContact OE2-CB 3.35Å; E53-S135 PolarHBondContact OE2-OG 2.86Å; E53-I176 HydrophobicContact CB-CG2 4.06Å; E53-I176 HydrophobicContact CG-CG2 3.71Å; E53-V177 PolarHBondContact N-O 3.43Å; E53-L179 PolarHBondContact O-N 3.03Å; E53-W216 HydrophobicContact CG-CZ3 4.44Å; E53-L217 HydrophobicContact CB-CD1 3.92Å; E53-L217 HydrophobicContact CG-CD1 4.49Å
54	G	98.4	Very high	89.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.6	160.7	-177.3	0	0	0	0	0	113.2	K60 R131 H213	G54-K60 PolarHBondContact O-NZ 2.96Å; G54-R131 PolarHBondContact O-NH1 3.47Å; G54-R131 PolarHBondContact O-NH2 3.2Å; G54-H213 PolarHBondContact O-NE2 3.47Å
55	N	98.3	Very high	91.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-61.5	168.2	179.8	-157.7	-11.1	0	0	0	112.4	A57 S58 K60 L206 I209	N55-A57 PolarHBondContact O-N 3.47Å; N55-S58 VanDerWaalsContact O-CB 3.24Å; N55-S58 WeakPolarHBondContact O-CB 3Å; N55-S58 PolarHBondContact O-N 2.89Å; N55-S58 PolarHBondContact O-OG 3.43Å; N55-K60 PolarHBondContact O-NZ 3.25Å; N55-L206 PolarHBondContact ND2-O 3.37Å; N55-I209 WeakPolarHBondContact OD1-CG2 3.28Å
56	I	96.1	Very high	93.7	Very high	13 Å²	13	29.2 Å²	29.2	7%	0.067	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	137.6	172.4	-60.1	165.1	0	0	0	108.5	S58 C186 L190 I201 Y205 L206	I56-S58 PolarHBondContact O-N 2.74Å; I56-S58 VanDerWaalsContact O-N 3.14Å; I56-C186 WeakPolarHBondContact O-CB 3.45Å; I56-C186 PolarHBondContact O-SG 3.2Å; I56-L190 HydrophobicContact CG2-CD1 3.83Å; I56-I201 HydrophobicContact CD1-CD1 4.22Å; I56-Y205 HydrophobicContact CD1-CD1 4.48Å; I56-Y205 HydrophobicContact CD1-CE1 3.77Å; I56-L206 HydrophobicContact CB-CD2 3.87Å; I56-L206 HydrophobicContact CD1-CD2 4.19Å; I56-L206 HydrophobicContact CG1-CD2 4.47Å
57	A	95.5	Very high	95.4	Very high	13 Å²	13	18 Å²	18	11%	0.107	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	21.3	-176.2	0	0	0	0	0	115.9	N55 G59 C186 R189 L190	N55-A57 PolarHBondContact O-N 3.47Å; A57-G59 PolarHBondContact O-N 2.79Å; A57-C186 WeakPolarHBondContact CB-O 3.14Å; A57-R189 HydrophobicContact CB-CB 3.95Å; A57-R189 VanDerWaalsContact O-CD 3.25Å; A57-R189 WeakPolarHBondContact O-CD 3.39Å; A57-L190 HydrophobicContact CB-CB 3.87Å
58	S	97.4	Very high	96	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	11%	0.106	C	C	.	.	S	Bend	trans	-72.1	-3.2	175.5	69.6	0	0	0	0	115.2	N55 I56 K60 T181 R189	N55-S58 VanDerWaalsContact O-CB 3.24Å; N55-S58 WeakPolarHBondContact O-CB 3Å; N55-S58 PolarHBondContact O-N 2.89Å; N55-S58 PolarHBondContact O-OG 3.43Å; I56-S58 PolarHBondContact O-N 2.74Å; I56-S58 VanDerWaalsContact O-N 3.14Å; S58-K60 PolarHBondContact OG-NZ 3.48Å; S58-T181 WeakPolarHBondContact CB-OG1 3.33Å; S58-T181 PolarHBondContact O-OG1 3.01Å; S58-R189 PolarHBondContact O-NH1 3.15Å
59	G	96.4	Very high	95.8	Very high	18 Å²	18	24.2 Å²	24.2	19%	0.186	14%	0.141	C	C	.	.	S	Bend	trans	91.6	16.8	-178.6	0	0	0	0	0	115.5	A57 T61 T62 C63	A57-G59 PolarHBondContact O-N 2.79Å; G59-T61 PolarHBondContact O-N 2.98Å; G59-T62 WeakPolarHBondContact O-CB 3.28Å; G59-T62 PolarHBondContact O-N 3.31Å; G59-C63 PolarHBondContact O-N 2.73Å
60	K	97.8	Very high	95.5	Very high	9 Å²	9	25 Å²	25	4%	0.039	15%	0.146	C	C	.	.	H	α-helix	trans	-54.8	-53.8	178	-65.9	-179.4	-68.3	-65.5	0	113	V52 G54 N55 S58 T62 C63 L64 E130 R131 L179	V52-K60 HydrophobicContact CG1-CB 4.28Å; V52-K60 HydrophobicContact CG1-CG 4.1Å; V52-K60 WeakPolarHBondContact O-CD 3.45Å; G54-K60 PolarHBondContact O-NZ 2.96Å; N55-K60 PolarHBondContact O-NZ 3.25Å; S58-K60 PolarHBondContact OG-NZ 3.48Å; K60-T62 PolarHBondContact O-N 2.79Å; K60-C63 WeakPolarHBondContact O-CB 3.48Å; K60-C63 PolarHBondContact O-N 3.35Å; K60-L64 VanDerWaalsContact O-CD1 3.23Å; K60-L64 WeakPolarHBondContact O-CD1 3.47Å; K60-L64 PolarHBondContact O-N 3.41Å; K60-E130 HydrophobicContact CB-CG 3.87Å; K60-E130 HydrophobicContact CD-CG 4.13Å; K60-R131 HydrophobicContact CD-CG 4.15Å; K60-R131 VanDerWaalsContact NZ-NH2 3.19Å; K60-L179 HydrophobicContact CG-CD1 4.25Å
61	T	95.4	Very high	94.7	Very high	51 Å²	51	30.1 Å²	30.1	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-55.4	-41.8	178.6	-38.6	0	0	0	0	111.2	G59 C63 L64 D65 T77 E130	G59-T61 PolarHBondContact O-N 2.98Å; T61-C63 PolarHBondContact O-N 2.96Å; T61-L64 WeakPolarHBondContact O-CB 3.27Å; T61-L64 PolarHBondContact O-N 2.81Å; T61-D65 WeakPolarHBondContact O-CB 3.5Å; T61-D65 PolarHBondContact O-N 2.94Å; T61-T77 HydrophobicContact CG2-CG2 4.49Å; T61-E130 PolarHBondContact N-OE1 2.86Å; T61-E130 PolarHBondContact OG1-OE1 2.79Å
62	T	95.9	Very high	94.2	Very high	59 Å²	59	34.7 Å²	34.7	36%	0.362	21%	0.207	S	C	.	.	H	α-helix	trans	-62.6	-39.5	176.1	-50.2	0	0	0	0	113.1	G59 K60 Y66 L238	G59-T62 WeakPolarHBondContact O-CB 3.28Å; G59-T62 PolarHBondContact O-N 3.31Å; K60-T62 PolarHBondContact O-N 2.79Å; T62-Y66 WeakPolarHBondContact O-CB 3.21Å; T62-Y66 PolarHBondContact O-N 3.25Å; T62-Y66 VanDerWaalsContact O-N 3.08Å; T62-L238 HydrophobicContact CG2-CD1 3.55Å
63	C	96.9	Very high	93.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-45.5	173.1	179.8	0	0	0	0	111.2	G59 K60 T61 D65 Y66 F67 L179 Y245	G59-C63 PolarHBondContact O-N 2.73Å; K60-C63 WeakPolarHBondContact O-CB 3.48Å; K60-C63 PolarHBondContact O-N 3.35Å; T61-C63 PolarHBondContact O-N 2.96Å; C63-D65 PolarHBondContact O-N 2.9Å; C63-Y66 WeakPolarHBondContact O-CB 3.43Å; C63-Y66 PolarHBondContact O-N 2.97Å; C63-F67 VanDerWaalsContact O-CD2 3.29Å; C63-F67 WeakPolarHBondContact O-CD2 3.3Å; C63-F67 PolarHBondContact O-N 2.92Å; C63-L179 HydrophobicContact CB-CD1 3.88Å; C63-Y245 HydrophobicContact CB-CE1 3.98Å; C63-Y245 HydrophobicContact CB-CE2 4.16Å
64	L	96.4	Very high	93.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-47.4	175.9	-94.2	74.6	0	0	0	112	V52 K60 T61 Y66 F67 S68 V75 T77 M128 E130	V52-L64 HydrophobicContact CB-CD1 3.71Å; V52-L64 HydrophobicContact CG1-CD1 4.16Å; V52-L64 HydrophobicContact CG2-CD1 3.6Å; K60-L64 VanDerWaalsContact O-CD1 3.23Å; K60-L64 WeakPolarHBondContact O-CD1 3.47Å; K60-L64 PolarHBondContact O-N 3.41Å; T61-L64 WeakPolarHBondContact O-CB 3.27Å; T61-L64 PolarHBondContact O-N 2.81Å; L64-Y66 VanDerWaalsContact C-N 3.27Å; L64-Y66 PolarHBondContact O-N 3.43Å; L64-F67 PolarHBondContact O-N 2.65Å; L64-F67 VanDerWaalsContact O-N 3.13Å; L64-S68 PolarHBondContact O-N 3.37Å; L64-V75 HydrophobicContact CB-CG1 3.62Å; L64-V75 HydrophobicContact CD2-CG1 3.47Å; L64-V75 VanDerWaalsContact CD2-CG1 3.47Å; L64-V75 HydrophobicContact CG-CG1 3.66Å; L64-T77 HydrophobicContact CD2-CG2 3.85Å; L64-M128 HydrophobicContact CD1-CG 4.37Å; L64-M128 HydrophobicContact CD1-SD 4.42Å; L64-M128 HydrophobicContact CG-CG 4.3Å; L64-M128 HydrophobicContact CG-SD 4.4Å; L64-E130 HydrophobicContact CD1-CB 4.33Å; L64-E130 HydrophobicContact CD2-CB 3.58Å; L64-E130 HydrophobicContact CD2-CG 4.37Å
65	D	95.3	Very high	93.5	Very high	86 Å²	86	38.5 Å²	38.5	46%	0.46	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-39.1	179.5	-67.8	-23.8	0	0	0	111.2	T61 C63 F67 S68	T61-D65 WeakPolarHBondContact O-CB 3.5Å; T61-D65 PolarHBondContact O-N 2.94Å; C63-D65 PolarHBondContact O-N 2.9Å; D65-F67 PolarHBondContact O-N 3.2Å; D65-S68 WeakPolarHBondContact O-CB 3.14Å; D65-S68 PolarHBondContact O-N 3.21Å; D65-S68 PolarHBondContact O-OG 2.76Å
66	Y	95.1	Very high	93.3	Very high	41 Å²	41	39.3 Å²	39.3	16%	0.161	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-43.9	174.7	170.8	-94.2	0	0	0	112.4	T62 C63 L64 L242 Y245 E246 R249	T62-Y66 WeakPolarHBondContact O-CB 3.21Å; T62-Y66 PolarHBondContact O-N 3.25Å; T62-Y66 VanDerWaalsContact O-N 3.08Å; C63-Y66 WeakPolarHBondContact O-CB 3.43Å; C63-Y66 PolarHBondContact O-N 2.97Å; L64-Y66 VanDerWaalsContact C-N 3.27Å; L64-Y66 PolarHBondContact O-N 3.43Å; Y66-L242 HydrophobicContact CD2-CD2 3.57Å; Y66-L242 HydrophobicContact CE2-CD2 4.2Å; Y66-L242 HydrophobicContact CG-CD2 4.28Å; Y66-Y245 AromaticContact CD1-CD2 3.97Å; Y66-Y245 HydrophobicContact CD1-CD2 3.97Å; Y66-Y245 HydrophobicContact CD1-CG 4.12Å; Y66-Y245 HydrophobicContact CD2-CD2 4.39Å; Y66-Y245 HydrophobicContact CE1-CG 4.41Å; Y66-Y245 AromaticContact CG-CD2 3.86Å; Y66-Y245 HydrophobicContact CG-CD2 3.86Å; Y66-Y245 HydrophobicContact CG-CG 4.46Å; Y66-E246 WeakPolarHBondContact OH-CA 3.38Å; Y66-E246 WeakPolarHBondContact OH-CB 3.44Å; Y66-E246 PolarHBondContact OH-N 3.39Å; Y66-E246 PolarHBondContact OH-OE2 2.98Å; Y66-R249 PolarHBondContact OH-NH2 3.22Å
67	F	94.1	Very high	93.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-78.8	-18.6	178.2	-75.2	-70.5	0	0	0	113.9	C63 L64 D65 N69 T70 I73 M128 R249 I252	C63-F67 VanDerWaalsContact O-CD2 3.29Å; C63-F67 WeakPolarHBondContact O-CD2 3.3Å; C63-F67 PolarHBondContact O-N 2.92Å; L64-F67 PolarHBondContact O-N 2.65Å; L64-F67 VanDerWaalsContact O-N 3.13Å; D65-F67 PolarHBondContact O-N 3.2Å; F67-N69 PolarHBondContact O-N 2.91Å; F67-N69 VanDerWaalsContact O-N 3.12Å; F67-T70 WeakPolarHBondContact O-CB 3.49Å; F67-T70 PolarHBondContact O-N 2.78Å; F67-T70 PolarHBondContact O-OG1 2.82Å; F67-I73 HydrophobicContact CB-CD1 3.98Å; F67-I73 HydrophobicContact CD1-CD1 3.93Å; F67-I73 HydrophobicContact CG-CD1 4.33Å; F67-M128 HydrophobicContact CB-CE 4.17Å; F67-M128 HydrophobicContact CB-SD 3.98Å; F67-M128 HydrophobicContact CD2-CE 3.69Å; F67-M128 HydrophobicContact CD2-SD 3.79Å; F67-M128 HydrophobicContact CE2-CE 4.25Å; F67-M128 HydrophobicContact CG-CE 3.86Å; F67-M128 HydrophobicContact CG-SD 4.12Å; F67-R249 HydrophobicContact CE1-CB 4.39Å; F67-R249 HydrophobicContact CE1-CG 4.24Å; F67-I252 HydrophobicContact CE2-CD1 3.89Å; F67-I252 HydrophobicContact CZ-CD1 3.64Å; F67-I252 HydrophobicContact CZ-CG2 4.4Å
68	S	92.6	Very high	93.2	Very high	56 Å²	56	42.3 Å²	42.3	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-26.9	-178.7	75.8	0	0	0	0	114.5	L64 D65 T70	L64-S68 PolarHBondContact O-N 3.37Å; D65-S68 WeakPolarHBondContact O-CB 3.14Å; D65-S68 PolarHBondContact O-N 3.21Å; D65-S68 PolarHBondContact O-OG 2.76Å; S68-T70 PolarHBondContact O-N 2.83Å
69	N	86.1	Confident	93	Very high	147 Å²	147	42.6 Å²	42.6	79%	0.786	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-1.7	178.3	-65.3	-50.2	0	0	0	113.7	F67	F67-N69 PolarHBondContact O-N 2.91Å; F67-N69 VanDerWaalsContact O-N 3.12Å
70	T	86.2	Confident	92.8	Very high	28 Å²	28	42.9 Å²	42.9	17%	0.172	25%	0.246	C	C	.	.	S	Bend	trans	-90.8	118.8	178.6	-51.6	0	0	0	0	109.7	F67 S68 N72 I73 R249	F67-T70 WeakPolarHBondContact O-CB 3.49Å; F67-T70 PolarHBondContact O-N 2.78Å; F67-T70 PolarHBondContact O-OG1 2.82Å; S68-T70 PolarHBondContact O-N 2.83Å; T70-N72 PolarHBondContact O-N 3.21Å; T70-I73 HydrophobicContact CG2-CD1 3.88Å; T70-I73 HydrophobicContact CG2-CG1 4.04Å; T70-I73 PolarHBondContact O-N 3.08Å; T70-R249 PolarHBondContact OG1-NH1 3.15Å
71	S	80.1	Confident	92.7	Very high	108 Å²	108	46.9 Å²	46.9	76%	0.755	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.2	-171	54.9	0	0	0	0	116.1
72	N	87.1	Confident	92.7	Very high	97 Å²	97	48.5 Å²	48.5	52%	0.519	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	9.5	-177.8	-65.6	-28.7	0	0	0	113.9	T70 V126	T70-N72 PolarHBondContact O-N 3.21Å; N72-V126 WeakPolarHBondContact O-CB 2.77Å; N72-V126 PolarHBondContact O-N 3.27Å
73	I	91.4	Very high	92.7	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.4	-177.8	-53.1	178.1	0	0	0	110	F67 T70 V75 V126 M128 L253	F67-I73 HydrophobicContact CB-CD1 3.98Å; F67-I73 HydrophobicContact CD1-CD1 3.93Å; F67-I73 HydrophobicContact CG-CD1 4.33Å; T70-I73 HydrophobicContact CG2-CD1 3.88Å; T70-I73 HydrophobicContact CG2-CG1 4.04Å; T70-I73 PolarHBondContact O-N 3.08Å; I73-V75 HydrophobicContact CG2-CG2 4.08Å; I73-V126 WeakPolarHBondContact CA-O 3.33Å; I73-V126 HydrophobicContact CG1-CB 4.23Å; I73-M128 HydrophobicContact CG2-CB 3.97Å; I73-L253 HydrophobicContact CD1-CD2 3.5Å; I73-L253 HydrophobicContact CG1-CD2 4.15Å
74	Q	93.5	Very high	92.6	Very high	29 Å²	29	50.7 Å²	50.7	14%	0.136	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129	163.7	-178.5	-177.8	9	0	0	109	L76 A121 A124 V126 T127 M128	Q74-L76 HydrophobicContact CG-CD2 4.27Å; Q74-A121 PolarHBondContact NE2-O 2.63Å; Q74-A124 HydrophobicContact CB-CB 4.02Å; Q74-V126 PolarHBondContact N-O 3.39Å; Q74-T127 CarbonylContact O-C 3.34Å; Q74-T127 WeakPolarHBondContact O-CA 3.15Å; Q74-M128 PolarHBondContact O-N 3.01Å
75	V	94.9	Very high	92.6	Very high	37 Å²	37	55.4 Å²	55.4	22%	0.224	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130	179.7	176.6	0	0	0	0	109.9	L64 I73 T77 M128	L64-V75 HydrophobicContact CB-CG1 3.62Å; L64-V75 HydrophobicContact CD2-CG1 3.47Å; L64-V75 VanDerWaalsContact CD2-CG1 3.47Å; L64-V75 HydrophobicContact CG-CG1 3.66Å; I73-V75 HydrophobicContact CG2-CG2 4.08Å; V75-T77 HydrophobicContact CG1-CG2 4.39Å; V75-M128 CarbonylContact C-O 3.52Å; V75-M128 WeakPolarHBondContact CA-O 3.43Å
76	L	95.4	Very high	92.6	Very high	17 Å²	17	53 Å²	53	9%	0.089	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	95	178.4	-61.8	-176.6	0	0	0	109.8	Q74 K117 S120 T127 M128 M129 E130	Q74-L76 HydrophobicContact CG-CD2 4.27Å; L76-K117 HydrophobicContact CB-CD 4.33Å; L76-S120 VanDerWaalsContact CD1-OG 3.26Å; L76-S120 WeakPolarHBondContact CD1-OG 3.2Å; L76-T127 HydrophobicContact CD1-CG2 3.47Å; L76-T127 VanDerWaalsContact CD1-CG2 3.47Å; L76-T127 HydrophobicContact CG-CG2 3.86Å; L76-M128 PolarHBondContact N-O 3.38Å; L76-M129 HydrophobicContact CB-CG 4.13Å; L76-M129 HydrophobicContact CD1-CE 4.47Å; L76-M129 HydrophobicContact CD1-CG 4.08Å; L76-M129 HydrophobicContact CD1-SD 4.4Å; L76-M129 CarbonylContact O-C 3.57Å; L76-M129 WeakPolarHBondContact O-CA 3.32Å; L76-E130 PolarHBondContact O-N 3.38Å
77	T	95.9	Very high	92.5	Very high	56 Å²	56	60 Å²	60	34%	0.344	33%	0.327	S	S	.	.			trans	-70.5	160	175	55.1	0	0	0	0	112.6	T61 L64 V75 K117 E130	T61-T77 HydrophobicContact CG2-CG2 4.49Å; L64-T77 HydrophobicContact CD2-CG2 3.85Å; V75-T77 HydrophobicContact CG1-CG2 4.39Å; T77-K117 WeakPolarHBondContact O-CE 3.43Å; T77-K117 PolarHBondContact O-NZ 3.29Å; T77-E130 WeakPolarHBondContact CB-OE2 3.21Å
78	E	93.6	Very high	92.5	Very high	33 Å²	33	63.1 Å²	63.1	15%	0.154	36%	0.36	C	S	.	.			trans	-58.9	133.3	173.6	-78.9	-176.9	91.1	0	0	109.1	V80 W83 E130 R131	E78-V80 HydrophobicContact CB-CG2 3.95Å; E78-V80 PolarHBondContact O-N 2.94Å; E78-W83 HydrophobicContact CB-CH2 3.85Å; E78-W83 HydrophobicContact CB-CZ3 4.2Å; E78-W83 HydrophobicContact CG-CH2 4.03Å; E78-W83 VanDerWaalsContact OE1-CH2 3.26Å; E78-W83 WeakPolarHBondContact OE1-CH2 3.46Å; E78-W83 WeakPolarHBondContact OE1-CZ3 3.47Å; E78-E130 HydrophobicContact CB-CG 4.46Å; E78-E130 HydrophobicContact CG-CB 3.95Å; E78-E130 HydrophobicContact CG-CG 3.8Å; E78-E130 WeakPolarHBondContact CG-O 3.45Å; E78-E130 PolarHBondContact N-OE2 3.28Å; E78-R131 VanDerWaalsContact CD-CD 3.43Å; E78-R131 HydrophobicContact CG-CB 4.23Å; E78-R131 HydrophobicContact CG-CG 4.19Å; E78-R131 WeakPolarHBondContact OE1-CD 3.41Å; E78-R131 IonicContact OE1-NE 3.17Å; E78-R131 PolarHBondContact OE1-NE 3.46Å; E78-R131 IonicContact OE2-NE 3.56Å; E78-R131 PolarHBondContact OE2-NE 2.98Å
79	P	93	Very high	92.7	Very high	8 Å²	8	66.5 Å²	66.5	5%	0.052	37%	0.369	C	S	.	.			trans	-77.6	49.1	-179.2	31.9	-33.8	0	0	0	112.4	S81 K82 W83	P79-S81 PolarHBondContact O-N 3.02Å; P79-S81 VanDerWaalsContact O-N 3.11Å; P79-K82 HydrophobicContact CB-CB 4.27Å; P79-K82 HydrophobicContact CB-CD 4.05Å; P79-K82 HydrophobicContact CB-CG 4.12Å; P79-K82 WeakPolarHBondContact O-CA 3.47Å; P79-K82 WeakPolarHBondContact O-CB 3.45Å; P79-K82 PolarHBondContact O-N 3.25Å; P79-W83 HydrophobicContact CG-CZ2 3.73Å; P79-W83 PolarHBondContact O-N 2.83Å
80	V	93	Very high	93.2	Very high	23 Å²	23	61.7 Å²	61.7	14%	0.139	34%	0.344	C	S	.	.	H	α-helix	trans	-53.2	-35.8	-179.6	176.3	0	0	0	0	111.8	E78 K82 W83 R84 L92	E78-V80 HydrophobicContact CB-CG2 3.95Å; E78-V80 PolarHBondContact O-N 2.94Å; V80-K82 VanDerWaalsContact C-N 3.31Å; V80-K82 PolarHBondContact O-N 2.95Å; V80-W83 HydrophobicContact CB-CE3 4.27Å; V80-W83 HydrophobicContact CG2-CE3 3.9Å; V80-W83 HydrophobicContact CG2-CZ3 3.79Å; V80-W83 PolarHBondContact O-N 2.82Å; V80-W83 VanDerWaalsContact O-N 3.09Å; V80-R84 HydrophobicContact CG1-CG 4.09Å; V80-R84 WeakPolarHBondContact O-CG 3.19Å; V80-R84 PolarHBondContact O-N 2.9Å; V80-L92 HydrophobicContact CG1-CD2 4.22Å
81	S	94.2	Very high	93.7	Very high	93 Å²	93	61.1 Å²	61.1	65%	0.65	34%	0.339	S	S	*	.	H	α-helix	trans	-60.7	-38	175.4	57	0	0	0	0	112.9	P79 W83 R84 N85	P79-S81 PolarHBondContact O-N 3.02Å; P79-S81 VanDerWaalsContact O-N 3.11Å; S81-W83 VanDerWaalsContact C-N 3.32Å; S81-R84 PolarHBondContact O-N 3.2Å; S81-N85 PolarHBondContact O-N 3.16Å; S81-N85 VanDerWaalsContact O-N 3.16Å
82	K	95.8	Very high	94.4	Very high	86 Å²	86	56.6 Å²	56.6	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-37.8	173.6	-65.9	-170.6	178.3	179.8	0	110.8	P79 V80 N85 V86 Y109 T113 D116	P79-K82 HydrophobicContact CB-CB 4.27Å; P79-K82 HydrophobicContact CB-CD 4.05Å; P79-K82 HydrophobicContact CB-CG 4.12Å; P79-K82 WeakPolarHBondContact O-CA 3.47Å; P79-K82 WeakPolarHBondContact O-CB 3.45Å; P79-K82 PolarHBondContact O-N 3.25Å; V80-K82 VanDerWaalsContact C-N 3.31Å; V80-K82 PolarHBondContact O-N 2.95Å; K82-N85 CarbonylContact O-C 3.57Å; K82-N85 PolarHBondContact O-N 2.84Å; K82-V86 WeakPolarHBondContact O-CG2 3.37Å; K82-Y109 HydrophobicContact CB-CE1 4.24Å; K82-Y109 WeakPolarHBondContact O-CE1 3.5Å; K82-T113 HydrophobicContact CD-CG2 4.1Å; K82-D116 IonicContact NZ-OD2 3.38Å; K82-D116 PolarHBondContact NZ-OD2 3.01Å
83	W	95.8	Very high	94.8	Very high	11 Å²	11	53.4 Å²	53.4	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-74	-30	-179.1	-50.1	-25.4	0	0	0	113	E78 P79 V80 S81 L91 L92 L106 Y109 I110 T113 M114	E78-W83 HydrophobicContact CB-CH2 3.85Å; E78-W83 HydrophobicContact CB-CZ3 4.2Å; E78-W83 HydrophobicContact CG-CH2 4.03Å; E78-W83 VanDerWaalsContact OE1-CH2 3.26Å; E78-W83 WeakPolarHBondContact OE1-CH2 3.46Å; E78-W83 WeakPolarHBondContact OE1-CZ3 3.47Å; P79-W83 HydrophobicContact CG-CZ2 3.73Å; P79-W83 PolarHBondContact O-N 2.83Å; V80-W83 HydrophobicContact CB-CE3 4.27Å; V80-W83 HydrophobicContact CG2-CE3 3.9Å; V80-W83 HydrophobicContact CG2-CZ3 3.79Å; V80-W83 PolarHBondContact O-N 2.82Å; V80-W83 VanDerWaalsContact O-N 3.09Å; S81-W83 VanDerWaalsContact C-N 3.32Å; W83-L91 WeakPolarHBondContact O-CB 3.47Å; W83-L91 PolarHBondContact O-N 3.28Å; W83-L91 VanDerWaalsContact O-N 3.08Å; W83-L92 HydrophobicContact CB-CB 4.48Å; W83-L92 PolarHBondContact O-N 3.35Å; W83-L106 HydrophobicContact CB-CD1 4.27Å; W83-Y109 AromaticContact CD1-CD1 3.73Å; W83-Y109 AromaticContact CD1-CE1 3.83Å; W83-I110 HydrophobicContact CD2-CG1 4.13Å; W83-I110 HydrophobicContact CH2-CG1 4.43Å; W83-I110 HydrophobicContact CZ2-CB 4.49Å; W83-I110 HydrophobicContact CZ2-CG1 3.99Å; W83-I110 HydrophobicContact CZ2-CG2 4.21Å; W83-T113 PolarHBondContact NE1-OG1 3.44Å; W83-M114 HydrophobicContact CZ2-SD 4.41Å
84	R	95.6	Very high	95.1	Very high	94 Å²	94	54.6 Å²	54.6	36%	0.355	30%	0.3	S	S	.	.	H	α-helix	trans	-81.5	-14.1	175.3	-67.1	177.4	76	-168.3	7.1	113.6	V80 S81 N90 L92 E197	V80-R84 HydrophobicContact CG1-CG 4.09Å; V80-R84 WeakPolarHBondContact O-CG 3.19Å; V80-R84 PolarHBondContact O-N 2.9Å; S81-R84 PolarHBondContact O-N 3.2Å; R84-N90 WeakPolarHBondContact CA-OD1 3.41Å; R84-N90 WeakPolarHBondContact O-CA 3.33Å; R84-N90 WeakPolarHBondContact O-CB 3.34Å; R84-L92 HydrophobicContact CG-CB 4.29Å; R84-L92 HydrophobicContact CG-CD2 4.04Å; R84-E197 IonicContact CZ-OE1 3.16Å; R84-E197 IonicContact CZ-OE2 3.49Å; R84-E197 IonicContact NE-OE1 2.73Å; R84-E197 PolarHBondContact NE-OE1 2.99Å; R84-E197 IonicContact NE-OE2 3.44Å; R84-E197 PolarHBondContact NE-OE2 3.22Å; R84-E197 IonicContact NH2-OE1 2.77Å; R84-E197 PolarHBondContact NH2-OE1 2.89Å; R84-E197 IonicContact NH2-OE2 3.14Å; R84-E197 PolarHBondContact NH2-OE2 3.07Å; R84-E197 VanDerWaalsContact NH2-OE2 3.14Å
85	N	95.8	Very high	95.2	Very high	99 Å²	99	53.7 Å²	53.7	53%	0.529	30%	0.296	S	S	.	.			trans	-145	81.1	179.6	-172.3	1	0	0	0	111.4	S81 K82 H87 G88	S81-N85 PolarHBondContact O-N 3.16Å; S81-N85 VanDerWaalsContact O-N 3.16Å; K82-N85 CarbonylContact O-C 3.57Å; K82-N85 PolarHBondContact O-N 2.84Å; N85-H87 PolarHBondContact O-N 3.14Å; N85-G88 WeakPolarHBondContact OD1-CA 3.3Å; N85-G88 PolarHBondContact OD1-N 3.26Å
86	V	94.7	Very high	95.1	Very high	37 Å²	37	54 Å²	54	22%	0.224	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-90	82.2	168.2	-170.6	0	0	0	0	107.6	K82 G88 H89 L91 Y109	K82-V86 WeakPolarHBondContact O-CG2 3.37Å; V86-G88 PolarHBondContact O-N 3.3Å; V86-H89 PolarHBondContact N-O 3.07Å; V86-H89 WeakPolarHBondContact O-CB 3.42Å; V86-H89 PolarHBondContact O-CD2 3.45Å; V86-H89 PolarHBondContact O-N 3.04Å; V86-H89 VanDerWaalsContact O-N 3.15Å; V86-L91 HydrophobicContact CG2-CB 3.98Å; V86-L91 HydrophobicContact CG2-CD2 4.23Å; V86-Y109 HydrophobicContact CG2-CD1 3.93Å; V86-Y109 HydrophobicContact CG2-CE1 3.52Å
87	H	93.8	Very high	95	Very high	186 Å²	186	60.8 Å²	60.8	86%	0.861	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	47	-179.5	-62.1	-74.7	0	0	0	113.9	N85	N85-H87 PolarHBondContact O-N 3.14Å
88	G	94.8	Very high	95	Very high	67 Å²	67	61.3 Å²	61.3	69%	0.691	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	-7.3	-179.2	0	0	0	0	0	114.2	N85 V86	N85-G88 WeakPolarHBondContact OD1-CA 3.3Å; N85-G88 PolarHBondContact OD1-N 3.26Å; V86-G88 PolarHBondContact O-N 3.3Å
89	H	95.8	Very high	95.1	Very high	127 Å²	127	61 Å²	61	59%	0.588	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-103.1	127.1	178.4	-59.4	-75.4	0	0	0	112.1	V86 L91	V86-H89 PolarHBondContact N-O 3.07Å; V86-H89 WeakPolarHBondContact O-CB 3.42Å; V86-H89 PolarHBondContact O-CD2 3.45Å; V86-H89 PolarHBondContact O-N 3.04Å; V86-H89 VanDerWaalsContact O-N 3.15Å; H89-L91 PolarHBondContact O-N 2.89Å
90	N	96.7	Very high	95.3	Very high	46 Å²	46	66.9 Å²	66.9	25%	0.246	35%	0.353	C	S	.	.			trans	-86.2	84.6	174	-169.4	-20.4	0	0	0	110.7	R84 L92 A93 L94 E197	R84-N90 WeakPolarHBondContact CA-OD1 3.41Å; R84-N90 WeakPolarHBondContact O-CA 3.33Å; R84-N90 WeakPolarHBondContact O-CB 3.34Å; N90-L92 VanDerWaalsContact C-N 3.26Å; N90-L92 PolarHBondContact O-N 3.42Å; N90-L92 PolarHBondContact OD1-N 3.1Å; N90-A93 HydrophobicContact CB-CB 3.96Å; N90-A93 VanDerWaalsContact CG-CB 3.44Å; N90-A93 PolarHBondContact O-N 3.31Å; N90-A93 WeakPolarHBondContact OD1-CB 3.43Å; N90-A93 PolarHBondContact OD1-N 3.17Å; N90-L94 WeakPolarHBondContact O-CG 3.35Å; N90-L94 PolarHBondContact O-N 2.6Å; N90-E197 PolarHBondContact ND2-OE1 2.81Å
91	L	96.5	Very high	95.5	Very high	16 Å²	16	72.4 Å²	72.4	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-30.8	-175.4	-171.2	59.1	0	0	0	112.5	W83 V86 H89 L94 M95 W102 L106 Y109	W83-L91 WeakPolarHBondContact O-CB 3.47Å; W83-L91 PolarHBondContact O-N 3.28Å; W83-L91 VanDerWaalsContact O-N 3.08Å; V86-L91 HydrophobicContact CG2-CB 3.98Å; V86-L91 HydrophobicContact CG2-CD2 4.23Å; H89-L91 PolarHBondContact O-N 2.89Å; L91-L94 HydrophobicContact CD1-CD1 4.46Å; L91-M95 PolarHBondContact O-N 3.49Å; L91-W102 HydrophobicContact CD1-CE3 3.9Å; L91-W102 HydrophobicContact CD1-CZ3 4.5Å; L91-L106 HydrophobicContact CB-CD1 4.32Å; L91-L106 HydrophobicContact CD2-CB 4.33Å; L91-L106 HydrophobicContact CD2-CD1 4.07Å; L91-L106 HydrophobicContact CG-CB 4.05Å; L91-L106 HydrophobicContact CG-CD1 3.87Å; L91-Y109 HydrophobicContact CD2-CD1 4.25Å; L91-Y109 HydrophobicContact CD2-CG 4.5Å
92	L	95.5	Very high	95.7	Very high	12 Å²	12	71.4 Å²	71.4	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-46.6	173.2	-175	61.6	0	0	0	111.6	V80 W83 R84 N90 M95 Y96 L106	V80-L92 HydrophobicContact CG1-CD2 4.22Å; W83-L92 HydrophobicContact CB-CB 4.48Å; W83-L92 PolarHBondContact O-N 3.35Å; R84-L92 HydrophobicContact CG-CB 4.29Å; R84-L92 HydrophobicContact CG-CD2 4.04Å; N90-L92 VanDerWaalsContact C-N 3.26Å; N90-L92 PolarHBondContact O-N 3.42Å; N90-L92 PolarHBondContact OD1-N 3.1Å; L92-M95 HydrophobicContact CD1-CE 4.13Å; L92-M95 PolarHBondContact O-N 3.41Å; L92-Y96 HydrophobicContact CD1-CD2 4.15Å; L92-Y96 HydrophobicContact CD1-CE2 3.57Å; L92-Y96 HydrophobicContact CG-CD2 4.18Å; L92-Y96 HydrophobicContact CG-CE2 3.89Å; L92-Y96 WeakPolarHBondContact O-CD2 3.49Å; L92-Y96 PolarHBondContact O-N 3.1Å; L92-L106 HydrophobicContact CD1-CD2 3.98Å
93	A	95.5	Very high	95.7	Very high	30 Å²	30	67.3 Å²	67.3	25%	0.248	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-45.1	175.6	0	0	0	0	0	111.8	N90 M95 Y96 Q97 E197	N90-A93 HydrophobicContact CB-CB 3.96Å; N90-A93 VanDerWaalsContact CG-CB 3.44Å; N90-A93 PolarHBondContact O-N 3.31Å; N90-A93 WeakPolarHBondContact OD1-CB 3.43Å; N90-A93 PolarHBondContact OD1-N 3.17Å; A93-M95 VanDerWaalsContact C-N 3.27Å; A93-M95 PolarHBondContact O-N 2.84Å; A93-Y96 PolarHBondContact O-N 3.01Å; A93-Q97 WeakPolarHBondContact O-CB 3.34Å; A93-Q97 PolarHBondContact O-N 3.41Å; A93-E197 HydrophobicContact CB-CB 4.4Å; A93-E197 HydrophobicContact CB-CG 3.63Å
94	L	96.5	Very high	95.8	Very high	39 Å²	39	68.5 Å²	68.5	20%	0.204	34%	0.342	C	S	.	.	H	α-helix	trans	-57.9	-39.9	178.4	-71.8	171.8	0	0	0	111.9	N90 L91 Q97 D98 W102	N90-L94 WeakPolarHBondContact O-CG 3.35Å; N90-L94 PolarHBondContact O-N 2.6Å; L91-L94 HydrophobicContact CD1-CD1 4.46Å; L94-Q97 PolarHBondContact O-N 3.35Å; L94-D98 PolarHBondContact O-N 3.18Å; L94-W102 HydrophobicContact CB-CB 4.25Å; L94-W102 HydrophobicContact CB-CD2 3.86Å; L94-W102 HydrophobicContact CB-CE3 4.47Å; L94-W102 HydrophobicContact CB-CG 3.73Å; L94-W102 HydrophobicContact CD1-CD2 4.18Å; L94-W102 HydrophobicContact CD1-CE3 4.18Å; L94-W102 HydrophobicContact CD1-CH2 4.11Å; L94-W102 HydrophobicContact CD1-CZ2 4.1Å; L94-W102 HydrophobicContact CD1-CZ3 4.15Å; L94-W102 HydrophobicContact CD2-CZ2 4.2Å; L94-W102 HydrophobicContact CG-CD2 4.46Å
95	M	96	Very high	95.9	Very high	10 Å²	10	66 Å²	66	5%	0.049	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-42	176.3	-175.7	-81.9	-55.4	0	0	113	L91 L92 A93 Q97 D98 P99 W102 L106	L91-M95 PolarHBondContact O-N 3.49Å; L92-M95 HydrophobicContact CD1-CE 4.13Å; L92-M95 PolarHBondContact O-N 3.41Å; A93-M95 VanDerWaalsContact C-N 3.27Å; A93-M95 PolarHBondContact O-N 2.84Å; M95-Q97 VanDerWaalsContact C-N 3.28Å; M95-Q97 PolarHBondContact O-N 3.25Å; M95-D98 CarbonylContact O-C 3.35Å; M95-P99 WeakPolarHBondContact O-CA 3.43Å; M95-P99 WeakPolarHBondContact O-CB 3.5Å; M95-P99 WeakPolarHBondContact O-CD 3.37Å; M95-P99 HydrophobicContact SD-CB 4.45Å; M95-W102 HydrophobicContact CB-CB 4.36Å; M95-L106 HydrophobicContact CB-CB 4.13Å; M95-L106 HydrophobicContact CB-CD2 3.53Å; M95-L106 HydrophobicContact CB-CG 4.43Å; M95-L106 HydrophobicContact CE-CD2 3.59Å; M95-L106 HydrophobicContact CG-CB 4.23Å; M95-L106 HydrophobicContact CG-CD2 3.6Å; M95-L106 HydrophobicContact SD-CD2 4.35Å
96	Y	93.4	Very high	96	Very high	45 Å²	45	61.3 Å²	61.3	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-69.7	-27.2	176.3	-74.7	-58.4	0	0	0	113	L92 A93 E197 E198 V200 I201	L92-Y96 HydrophobicContact CD1-CD2 4.15Å; L92-Y96 HydrophobicContact CD1-CE2 3.57Å; L92-Y96 HydrophobicContact CG-CD2 4.18Å; L92-Y96 HydrophobicContact CG-CE2 3.89Å; L92-Y96 WeakPolarHBondContact O-CD2 3.49Å; L92-Y96 PolarHBondContact O-N 3.1Å; A93-Y96 PolarHBondContact O-N 3.01Å; Y96-E197 HydrophobicContact CD2-CB 4.23Å; Y96-E197 WeakPolarHBondContact CD2-O 3.44Å; Y96-E198 HydrophobicContact CE2-CG 4.22Å; Y96-V200 HydrophobicContact CG-CG2 4.38Å; Y96-I201 HydrophobicContact CD1-CD1 4.28Å; Y96-I201 HydrophobicContact CD1-CG1 3.96Å; Y96-I201 HydrophobicContact CE1-CD1 3.47Å; Y96-I201 VanDerWaalsContact CE1-CD1 3.47Å; Y96-I201 HydrophobicContact CE1-CG1 3.56Å; Y96-I201 HydrophobicContact CE2-CD1 4.12Å; Y96-I201 VanDerWaalsContact OH-CD1 3.3Å; Y96-I201 WeakPolarHBondContact OH-CD1 3.5Å
97	Q	94.2	Very high	96.1	Very high	158 Å²	158	59.7 Å²	59.7	74%	0.738	30%	0.304	S	S	*	.	H	α-helix	trans	-75.4	-47	175.8	-175	179.9	18.2	0	0	112.7	A93 L94 M95	A93-Q97 WeakPolarHBondContact O-CB 3.34Å; A93-Q97 PolarHBondContact O-N 3.41Å; L94-Q97 PolarHBondContact O-N 3.35Å; M95-Q97 VanDerWaalsContact C-N 3.28Å; M95-Q97 PolarHBondContact O-N 3.25Å
98	D	95.6	Very high	96.3	Very high	67 Å²	67	53.3 Å²	53.3	36%	0.358	28%	0.279	S	S	.	.			trans	-141	86.4	179	-177.1	-10.5	0	0	0	109.9	L94 M95 Q100 R101 W102	L94-D98 PolarHBondContact O-N 3.18Å; M95-D98 CarbonylContact O-C 3.35Å; D98-Q100 VanDerWaalsContact C-N 3.26Å; D98-Q100 PolarHBondContact O-N 3.23Å; D98-Q100 PolarHBondContact OD1-N 2.92Å; D98-R101 HydrophobicContact CB-CB 4.17Å; D98-R101 PolarHBondContact O-N 3.26Å; D98-R101 PolarHBondContact OD1-N 3.38Å; D98-R101 WeakPolarHBondContact OD2-CB 3.28Å; D98-W102 PolarHBondContact O-N 2.91Å
99	P	95.3	Very high	96.5	Very high	27 Å²	27	52.9 Å²	52.9	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-26.5	-176.5	25.4	-33.7	0	0	0	112.5	M95 G103 L144 K149	M95-P99 WeakPolarHBondContact O-CA 3.43Å; M95-P99 WeakPolarHBondContact O-CB 3.5Å; M95-P99 WeakPolarHBondContact O-CD 3.37Å; M95-P99 HydrophobicContact SD-CB 4.45Å; P99-G103 WeakPolarHBondContact O-CA 3.29Å; P99-G103 PolarHBondContact O-N 3.25Å; P99-L144 HydrophobicContact CB-CD2 4.01Å; P99-K149 HydrophobicContact CB-CB 4.2Å; P99-K149 HydrophobicContact CB-CD 4Å; P99-K149 HydrophobicContact CB-CG 4.44Å; P99-K149 HydrophobicContact CG-CB 4.37Å; P99-K149 HydrophobicContact CG-CD 3.68Å; P99-K149 HydrophobicContact CG-CG 4.12Å
100	Q	96.3	Very high	96.6	Very high	132 Å²	132	47.6 Å²	47.6	62%	0.617	23%	0.232	S	C	*	.	H	α-helix	trans	-67.6	-42.2	176	-74.4	-178.4	-0.6	0	0	111.2	D98 K149	D98-Q100 VanDerWaalsContact C-N 3.26Å; D98-Q100 PolarHBondContact O-N 3.23Å; D98-Q100 PolarHBondContact OD1-N 2.92Å; Q100-K149 WeakPolarHBondContact CA-O 3.4Å; Q100-K149 HydrophobicContact CG-CB 4.48Å
101	R	97.6	Very high	96.6	Very high	138 Å²	138	45.7 Å²	45.7	52%	0.521	22%	0.222	S	C	.	.	H	α-helix	trans	-76.3	-39.3	179.7	177.4	60.3	-171.7	98.6	-5	113.6	D98	D98-R101 HydrophobicContact CB-CB 4.17Å; D98-R101 PolarHBondContact O-N 3.26Å; D98-R101 PolarHBondContact OD1-N 3.38Å; D98-R101 WeakPolarHBondContact OD2-CB 3.28Å
102	W	97.8	Very high	96.5	Very high	72 Å²	72	48.5 Å²	48.5	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-110.7	-6.1	-166.9	-61.9	106.2	0	0	0	114.2	L91 L94 M95 D98 I104 S105 L106	L91-W102 HydrophobicContact CD1-CE3 3.9Å; L91-W102 HydrophobicContact CD1-CZ3 4.5Å; L94-W102 HydrophobicContact CB-CB 4.25Å; L94-W102 HydrophobicContact CB-CD2 3.86Å; L94-W102 HydrophobicContact CB-CE3 4.47Å; L94-W102 HydrophobicContact CB-CG 3.73Å; L94-W102 HydrophobicContact CD1-CD2 4.18Å; L94-W102 HydrophobicContact CD1-CE3 4.18Å; L94-W102 HydrophobicContact CD1-CH2 4.11Å; L94-W102 HydrophobicContact CD1-CZ2 4.1Å; L94-W102 HydrophobicContact CD1-CZ3 4.15Å; L94-W102 HydrophobicContact CD2-CZ2 4.2Å; L94-W102 HydrophobicContact CG-CD2 4.46Å; M95-W102 HydrophobicContact CB-CB 4.36Å; D98-W102 PolarHBondContact O-N 2.91Å; W102-I104 PolarHBondContact O-N 2.73Å; W102-S105 PolarHBondContact O-N 3.01Å; W102-L106 PolarHBondContact O-N 3.08Å
103	G	97.2	Very high	96.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-53.9	-55.3	179.7	0	0	0	0	0	112.5	P99 S105 L106 Q107	P99-G103 WeakPolarHBondContact O-CA 3.29Å; P99-G103 PolarHBondContact O-N 3.25Å; G103-S105 PolarHBondContact O-N 3.27Å; G103-L106 PolarHBondContact O-N 3.44Å; G103-Q107 WeakPolarHBondContact O-CB 3.4Å; G103-Q107 VanDerWaalsContact O-CG 3.27Å; G103-Q107 WeakPolarHBondContact O-CG 3.39Å; G103-Q107 PolarHBondContact O-N 2.97Å
104	I	97.1	Very high	96.6	Very high	35 Å²	35	46.9 Å²	46.9	18%	0.179	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-43.3	178.1	-176.7	167.2	0	0	0	112.6	W102 L106 Q107 T108 D154 L158	W102-I104 PolarHBondContact O-N 2.73Å; I104-L106 PolarHBondContact O-N 3.04Å; I104-Q107 PolarHBondContact O-N 2.93Å; I104-T108 VanDerWaalsContact O-CB 3.3Å; I104-T108 WeakPolarHBondContact O-CB 3.45Å; I104-T108 PolarHBondContact O-N 3.33Å; I104-T108 PolarHBondContact O-OG1 2.81Å; I104-D154 HydrophobicContact CB-CB 4.18Å; I104-D154 HydrophobicContact CD1-CB 3.74Å; I104-D154 VanDerWaalsContact CD1-OD1 3.28Å; I104-D154 WeakPolarHBondContact CD1-OD1 3.38Å; I104-D154 HydrophobicContact CG1-CB 4.37Å; I104-L158 HydrophobicContact CG1-CD1 4.32Å; I104-L158 HydrophobicContact CG1-CG 4.44Å
105	S	97.8	Very high	96.5	Very high	41 Å²	41	46.2 Å²	46.2	29%	0.287	22%	0.22	S	C	.	.	H	α-helix	trans	-60.1	-48.3	-179.7	-61.5	0	0	0	0	111.3	W102 G103 Y109	W102-S105 PolarHBondContact O-N 3.01Å; G103-S105 PolarHBondContact O-N 3.27Å; S105-Y109 PolarHBondContact O-N 3.34Å
106	L	97.7	Very high	96.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-48.3	178.2	-178.4	65.3	0	0	0	111.1	W83 L91 L92 M95 W102 G103 I104 T108 Y109 I110	W83-L106 HydrophobicContact CB-CD1 4.27Å; L91-L106 HydrophobicContact CB-CD1 4.32Å; L91-L106 HydrophobicContact CD2-CB 4.33Å; L91-L106 HydrophobicContact CD2-CD1 4.07Å; L91-L106 HydrophobicContact CG-CB 4.05Å; L91-L106 HydrophobicContact CG-CD1 3.87Å; L92-L106 HydrophobicContact CD1-CD2 3.98Å; M95-L106 HydrophobicContact CB-CB 4.13Å; M95-L106 HydrophobicContact CB-CD2 3.53Å; M95-L106 HydrophobicContact CB-CG 4.43Å; M95-L106 HydrophobicContact CE-CD2 3.59Å; M95-L106 HydrophobicContact CG-CB 4.23Å; M95-L106 HydrophobicContact CG-CD2 3.6Å; M95-L106 HydrophobicContact SD-CD2 4.35Å; W102-L106 PolarHBondContact O-N 3.08Å; G103-L106 PolarHBondContact O-N 3.44Å; I104-L106 PolarHBondContact O-N 3.04Å; L106-T108 VanDerWaalsContact C-N 3.34Å; L106-T108 PolarHBondContact O-N 3.25Å; L106-Y109 PolarHBondContact O-N 3.44Å; L106-Y109 VanDerWaalsContact O-N 3.11Å; L106-I110 HydrophobicContact CD1-CD1 4.05Å; L106-I110 HydrophobicContact CD1-CG1 4.12Å; L106-I110 HydrophobicContact CD2-CD1 4.08Å; L106-I110 HydrophobicContact CG-CD1 3.69Å; L106-I110 HydrophobicContact CG-CG1 4.16Å; L106-I110 WeakPolarHBondContact O-CG1 3.3Å; L106-I110 PolarHBondContact O-N 3.03Å
107	Q	98.1	Very high	96.3	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-37.4	-176.6	-66.9	-52.7	-38.8	0	0	112.7	G103 I104 Y109 I110 Q111 V141 L144 M150 L158	G103-Q107 WeakPolarHBondContact O-CB 3.4Å; G103-Q107 VanDerWaalsContact O-CG 3.27Å; G103-Q107 WeakPolarHBondContact O-CG 3.39Å; G103-Q107 PolarHBondContact O-N 2.97Å; I104-Q107 PolarHBondContact O-N 2.93Å; Q107-Y109 VanDerWaalsContact C-N 3.33Å; Q107-Y109 PolarHBondContact O-N 3.27Å; Q107-I110 PolarHBondContact O-N 3.18Å; Q107-Q111 WeakPolarHBondContact O-CG 3.12Å; Q107-Q111 PolarHBondContact O-N 2.67Å; Q107-V141 HydrophobicContact CB-CG2 3.81Å; Q107-V141 HydrophobicContact CG-CG2 3.82Å; Q107-L144 HydrophobicContact CG-CD1 3.53Å; Q107-M150 HydrophobicContact CG-CE 4.2Å; Q107-L158 HydrophobicContact CB-CD1 3.84Å; Q107-L158 HydrophobicContact CB-CD2 4.29Å
108	T	97.8	Very high	96.1	Very high	52 Å²	52	43.2 Å²	43.2	32%	0.319	21%	0.21	S	C	.	.	H	α-helix	trans	-59.3	-45.3	172.3	-55.5	0	0	0	0	111	I104 L106 Q111 L112	I104-T108 VanDerWaalsContact O-CB 3.3Å; I104-T108 WeakPolarHBondContact O-CB 3.45Å; I104-T108 PolarHBondContact O-N 3.33Å; I104-T108 PolarHBondContact O-OG1 2.81Å; L106-T108 VanDerWaalsContact C-N 3.34Å; L106-T108 PolarHBondContact O-N 3.25Å; T108-Q111 PolarHBondContact O-N 3.44Å; T108-L112 PolarHBondContact O-N 2.9Å
109	Y	97.9	Very high	95.9	Very high	58 Å²	58	42.5 Å²	42.5	23%	0.227	21%	0.206	C	C	.	.	H	α-helix	trans	-71.8	-34.3	-179.5	-168.8	-125	0	0	0	112.8	K82 W83 V86 L91 S105 L106 Q107 L112 T113	K82-Y109 HydrophobicContact CB-CE1 4.24Å; K82-Y109 WeakPolarHBondContact O-CE1 3.5Å; W83-Y109 AromaticContact CD1-CD1 3.73Å; W83-Y109 AromaticContact CD1-CE1 3.83Å; V86-Y109 HydrophobicContact CG2-CD1 3.93Å; V86-Y109 HydrophobicContact CG2-CE1 3.52Å; L91-Y109 HydrophobicContact CD2-CD1 4.25Å; L91-Y109 HydrophobicContact CD2-CG 4.5Å; S105-Y109 PolarHBondContact O-N 3.34Å; L106-Y109 PolarHBondContact O-N 3.44Å; L106-Y109 VanDerWaalsContact O-N 3.11Å; Q107-Y109 VanDerWaalsContact C-N 3.33Å; Q107-Y109 PolarHBondContact O-N 3.27Å; Y109-L112 HydrophobicContact CD2-CD2 4.21Å; Y109-L112 HydrophobicContact CE2-CD2 4.41Å; Y109-L112 PolarHBondContact O-N 3.35Å; Y109-T113 HydrophobicContact CD1-CG2 4.41Å; Y109-T113 HydrophobicContact CD2-CG2 4.23Å; Y109-T113 HydrophobicContact CE1-CG2 4.1Å; Y109-T113 HydrophobicContact CE2-CG2 3.9Å; Y109-T113 HydrophobicContact CG-CG2 4.48Å; Y109-T113 WeakPolarHBondContact O-CB 3.48Å; Y109-T113 WeakPolarHBondContact O-CG2 3.49Å; Y109-T113 PolarHBondContact O-N 3.47Å; Y109-T113 PolarHBondContact O-OG1 2.98Å
110	I	97.6	Very high	95.4	Very high	16 Å²	16	42.8 Å²	42.8	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-50.5	171	-70.4	173.9	0	0	0	109.7	W83 L106 Q107 L112 T113 M114 A136	W83-I110 HydrophobicContact CD2-CG1 4.13Å; W83-I110 HydrophobicContact CH2-CG1 4.43Å; W83-I110 HydrophobicContact CZ2-CB 4.49Å; W83-I110 HydrophobicContact CZ2-CG1 3.99Å; W83-I110 HydrophobicContact CZ2-CG2 4.21Å; L106-I110 HydrophobicContact CD1-CD1 4.05Å; L106-I110 HydrophobicContact CD1-CG1 4.12Å; L106-I110 HydrophobicContact CD2-CD1 4.08Å; L106-I110 HydrophobicContact CG-CD1 3.69Å; L106-I110 HydrophobicContact CG-CG1 4.16Å; L106-I110 WeakPolarHBondContact O-CG1 3.3Å; L106-I110 PolarHBondContact O-N 3.03Å; Q107-I110 PolarHBondContact O-N 3.18Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 PolarHBondContact O-N 3.49Å; I110-T113 PolarHBondContact O-N 2.88Å; I110-T113 PolarHBondContact O-OG1 2.61Å; I110-M114 HydrophobicContact CG2-CG 4Å; I110-M114 WeakPolarHBondContact O-CB 3.27Å; I110-M114 VanDerWaalsContact O-CG 3.25Å; I110-M114 WeakPolarHBondContact O-CG 3.31Å; I110-M114 PolarHBondContact O-N 3.47Å; I110-A136 HydrophobicContact CG2-CB 3.69Å
111	Q	96.8	Very high	94.8	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	21%	0.206	C	C	.	.	H	α-helix	trans	-56.7	-44.4	177.2	-73.9	-169.6	14	0	0	111.9	Q107 T108 L115 L158	Q107-Q111 WeakPolarHBondContact O-CG 3.12Å; Q107-Q111 PolarHBondContact O-N 2.67Å; T108-Q111 PolarHBondContact O-N 3.44Å; Q111-L115 VanDerWaalsContact O-CB 3.28Å; Q111-L115 WeakPolarHBondContact O-CB 3.32Å; Q111-L115 PolarHBondContact O-N 3.31Å; Q111-L158 PolarHBondContact NE2-O 3.02Å
112	L	95.9	Very high	94	Very high	75 Å²	75	35.1 Å²	35.1	39%	0.393	19%	0.193	S	C	.	.	H	α-helix	trans	-60	-50.1	176.3	174.9	62.2	0	0	0	112.4	T108 Y109 I110 L115 D116	T108-L112 PolarHBondContact O-N 2.9Å; Y109-L112 HydrophobicContact CD2-CD2 4.21Å; Y109-L112 HydrophobicContact CE2-CD2 4.41Å; Y109-L112 PolarHBondContact O-N 3.35Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 PolarHBondContact O-N 3.49Å; L112-L115 PolarHBondContact O-N 2.87Å; L112-D116 PolarHBondContact O-N 3.42Å
113	T	96.5	Very high	93.3	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-71.9	-30.3	-176.6	53	0	0	0	0	112.7	K82 W83 Y109 I110 K117	K82-T113 HydrophobicContact CD-CG2 4.1Å; W83-T113 PolarHBondContact NE1-OG1 3.44Å; Y109-T113 HydrophobicContact CD1-CG2 4.41Å; Y109-T113 HydrophobicContact CD2-CG2 4.23Å; Y109-T113 HydrophobicContact CE1-CG2 4.1Å; Y109-T113 HydrophobicContact CE2-CG2 3.9Å; Y109-T113 HydrophobicContact CG-CG2 4.48Å; Y109-T113 WeakPolarHBondContact O-CB 3.48Å; Y109-T113 WeakPolarHBondContact O-CG2 3.49Å; Y109-T113 PolarHBondContact O-N 3.47Å; Y109-T113 PolarHBondContact O-OG1 2.98Å; I110-T113 PolarHBondContact O-N 2.88Å; I110-T113 PolarHBondContact O-OG1 2.61Å; T113-K117 VanDerWaalsContact O-CG 3.31Å; T113-K117 WeakPolarHBondContact O-CG 3.41Å; T113-K117 PolarHBondContact O-N 2.8Å; T113-K117 VanDerWaalsContact O-N 3.15Å
114	M	96.1	Very high	92.8	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.02	22%	0.221	C	C	.	.	H	α-helix	trans	-72.3	-38.1	171.9	-68.3	-55.4	-71.8	0	0	111.6	W83 I110 K117 H118 R131 S132 I133	W83-M114 HydrophobicContact CZ2-SD 4.41Å; I110-M114 HydrophobicContact CG2-CG 4Å; I110-M114 WeakPolarHBondContact O-CB 3.27Å; I110-M114 VanDerWaalsContact O-CG 3.25Å; I110-M114 WeakPolarHBondContact O-CG 3.31Å; I110-M114 PolarHBondContact O-N 3.47Å; M114-K117 WeakPolarHBondContact O-CB 3.35Å; M114-K117 PolarHBondContact O-N 3.29Å; M114-H118 PolarHBondContact O-CD2 3.18Å; M114-H118 VanDerWaalsContact O-CD2 3.27Å; M114-H118 PolarHBondContact O-N 3.15Å; M114-R131 VanDerWaalsContact CE-C 3.44Å; M114-R131 HydrophobicContact CE-CB 3.98Å; M114-R131 WeakPolarHBondContact CE-O 3.44Å; M114-S132 VanDerWaalsContact CE-CA 3.46Å; M114-I133 HydrophobicContact CB-CB 4.13Å
115	L	94.6	Very high	92.4	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-46.3	171.4	178.6	59.3	0	0	0	111.4	Q111 L112 K117 H118 L119 I133 I165 V169 L171	Q111-L115 VanDerWaalsContact O-CB 3.28Å; Q111-L115 WeakPolarHBondContact O-CB 3.32Å; Q111-L115 PolarHBondContact O-N 3.31Å; L112-L115 PolarHBondContact O-N 2.87Å; L115-K117 PolarHBondContact O-N 3.36Å; L115-H118 PolarHBondContact O-N 3.21Å; L115-L119 HydrophobicContact CD1-CD1 3.8Å; L115-L119 HydrophobicContact CD1-CG 4.02Å; L115-L119 HydrophobicContact CG-CD1 3.93Å; L115-L119 HydrophobicContact CG-CG 4.46Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 3.45Å; L115-I133 HydrophobicContact CB-CD1 4.22Å; L115-I165 HydrophobicContact CD1-CG2 3.74Å; L115-I165 HydrophobicContact CD2-CD1 4.1Å; L115-I165 HydrophobicContact CD2-CG1 4.17Å; L115-I165 HydrophobicContact CD2-CG2 4.21Å; L115-V169 HydrophobicContact CD1-CG1 4.22Å; L115-L171 HydrophobicContact CD1-CD2 3.83Å
116	D	92.3	Very high	92.1	Very high	86 Å²	86	38.7 Å²	38.7	46%	0.46	23%	0.226	S	C	.	.	H	α-helix	trans	-56.3	-38.8	174.9	-178.5	52	0	0	0	111.9	K82 L112 L119 S120	K82-D116 IonicContact NZ-OD2 3.38Å; K82-D116 PolarHBondContact NZ-OD2 3.01Å; L112-D116 PolarHBondContact O-N 3.42Å; D116-L119 CarbonylContact O-C 3.45Å; D116-L119 PolarHBondContact O-N 3.37Å; D116-S120 PolarHBondContact O-N 3.16Å
117	K	92.2	Very high	91.9	Very high	42 Å²	42	38.9 Å²	38.9	18%	0.183	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-47.4	175.3	-73.4	-74.3	-167.4	158.2	0	112.7	L76 T77 T113 M114 L115 L119 S120 M129	L76-K117 HydrophobicContact CB-CD 4.33Å; T77-K117 WeakPolarHBondContact O-CE 3.43Å; T77-K117 PolarHBondContact O-NZ 3.29Å; T113-K117 VanDerWaalsContact O-CG 3.31Å; T113-K117 WeakPolarHBondContact O-CG 3.41Å; T113-K117 PolarHBondContact O-N 2.8Å; T113-K117 VanDerWaalsContact O-N 3.15Å; M114-K117 WeakPolarHBondContact O-CB 3.35Å; M114-K117 PolarHBondContact O-N 3.29Å; L115-K117 PolarHBondContact O-N 3.36Å; K117-L119 PolarHBondContact O-N 3.19Å; K117-S120 VanDerWaalsContact O-CB 3.23Å; K117-S120 WeakPolarHBondContact O-CB 3.43Å; K117-S120 PolarHBondContact O-N 3.39Å; K117-S120 PolarHBondContact O-OG 3.23Å; K117-M129 HydrophobicContact CB-CE 3.8Å
118	H	90.9	Very high	91.8	Very high	23 Å²	23	38.7 Å²	38.7	11%	0.106	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-35.7	174.7	-88.6	-74.2	0	0	0	112	M114 L115 L171	M114-H118 PolarHBondContact O-CD2 3.18Å; M114-H118 VanDerWaalsContact O-CD2 3.27Å; M114-H118 PolarHBondContact O-N 3.15Å; L115-H118 PolarHBondContact O-N 3.21Å; H118-L171 HydrophobicContact CB-CD2 3.58Å
119	L	89.5	Confident	91.8	Very high	52 Å²	52	36.4 Å²	36.4	27%	0.272	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.7	178	-65.1	179.2	0	0	0	113.5	R41 L115 D116 K117 V169	R41-L119 WeakPolarHBondContact CD-O 3.46Å; R41-L119 PolarHBondContact NE-O 3.28Å; R41-L119 VanDerWaalsContact NE-O 3.11Å; R41-L119 PolarHBondContact NH1-O 3.27Å; L115-L119 HydrophobicContact CD1-CD1 3.8Å; L115-L119 HydrophobicContact CD1-CG 4.02Å; L115-L119 HydrophobicContact CG-CD1 3.93Å; L115-L119 HydrophobicContact CG-CG 4.46Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 3.45Å; D116-L119 CarbonylContact O-C 3.45Å; D116-L119 PolarHBondContact O-N 3.37Å; K117-L119 PolarHBondContact O-N 3.19Å; L119-V169 HydrophobicContact CD1-CG1 4.41Å; L119-V169 HydrophobicContact CD2-CG1 3.73Å; L119-V169 HydrophobicContact CG-CG1 4.45Å
120	S	86.5	Confident	91.8	Very high	32 Å²	32	34.3 Å²	34.3	22%	0.224	20%	0.204	C	C	.	.	S	Bend	trans	-64	157.1	-174	71.3	0	0	0	0	112	L76 D116 K117 T122	L76-S120 VanDerWaalsContact CD1-OG 3.26Å; L76-S120 WeakPolarHBondContact CD1-OG 3.2Å; D116-S120 PolarHBondContact O-N 3.16Å; K117-S120 VanDerWaalsContact O-CB 3.23Å; K117-S120 WeakPolarHBondContact O-CB 3.43Å; K117-S120 PolarHBondContact O-N 3.39Å; K117-S120 PolarHBondContact O-OG 3.23Å; S120-T122 PolarHBondContact O-N 2.78Å
121	A	82.6	Confident	91.8	Very high	68 Å²	68	33.8 Å²	33.8	56%	0.562	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-72.9	126.7	179.5	0	0	0	0	0	109	Q74	Q74-A121 PolarHBondContact NE2-O 2.63Å
122	T	80.3	Confident	91.8	Very high	41 Å²	41	33.6 Å²	33.6	25%	0.252	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-82.4	130.1	178.7	-57	0	0	0	0	110.8	S120 A124 T127	S120-T122 PolarHBondContact O-N 2.78Å; T122-A124 WeakPolarHBondContact CG2-O 3.21Å; T122-T127 VanDerWaalsContact CG2-OG1 3.3Å; T122-T127 WeakPolarHBondContact CG2-OG1 3.31Å
123	T	83.6	Confident	91.8	Very high	122 Å²	122	30 Å²	30	75%	0.748	18%	0.182	S	C	*	.			trans	-103.5	-7.7	177.8	58.8	0	0	0	0	113.5
124	A	87.6	Confident	91.9	Very high	16 Å²	16	31 Å²	31	13%	0.132	19%	0.185	C	C	.	.	S	Bend	trans	-142.1	158.1	-175.9	0	0	0	0	0	111.9	Q74 T122 V126	Q74-A124 HydrophobicContact CB-CB 4.02Å; T122-A124 WeakPolarHBondContact CG2-O 3.21Å; A124-V126 PolarHBondContact O-N 3.37Å; A124-V126 VanDerWaalsContact O-N 3.15Å
125	P	88.8	Confident	92	Very high	79 Å²	79	30.8 Å²	30.8	51%	0.513	19%	0.185	S	C	.	.	S	Bend	trans	-57.6	-31.2	-179	-25.9	35.2	0	0	0	114.5	T48	T48-P125 PolarHBondContact N-O 3.47Å
126	V	91.2	Very high	92.1	Very high	8 Å²	8	29.8 Å²	29.8	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.4	179.2	-168	0	0	0	0	109.7	T48 I50 N72 I73 Q74 A124 T256	T48-V126 WeakPolarHBondContact O-CA 3.36Å; I50-V126 HydrophobicContact CD1-CG1 3.66Å; I50-V126 HydrophobicContact CG1-CG1 4.2Å; N72-V126 WeakPolarHBondContact O-CB 2.77Å; N72-V126 PolarHBondContact O-N 3.27Å; I73-V126 WeakPolarHBondContact CA-O 3.33Å; I73-V126 HydrophobicContact CG1-CB 4.23Å; Q74-V126 PolarHBondContact N-O 3.39Å; A124-V126 PolarHBondContact O-N 3.37Å; A124-V126 VanDerWaalsContact O-N 3.15Å; V126-T256 HydrophobicContact CB-CG2 4.47Å; V126-T256 HydrophobicContact CG1-CG2 4.41Å; V126-T256 HydrophobicContact CG2-CG2 3.36Å
127	T	93.8	Very high	92.4	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.4	168.6	-57.7	0	0	0	0	108.9	T48 V49 I50 Q74 L76 T122 M129	T48-T127 PolarHBondContact O-N 3.04Å; V49-T127 WeakPolarHBondContact CA-O 3.41Å; I50-T127 PolarHBondContact N-O 3.36Å; Q74-T127 CarbonylContact O-C 3.34Å; Q74-T127 WeakPolarHBondContact O-CA 3.15Å; L76-T127 HydrophobicContact CD1-CG2 3.47Å; L76-T127 VanDerWaalsContact CD1-CG2 3.47Å; L76-T127 HydrophobicContact CG-CG2 3.86Å; T122-T127 VanDerWaalsContact CG2-OG1 3.3Å; T122-T127 WeakPolarHBondContact CG2-OG1 3.31Å; T127-M129 HydrophobicContact CG2-CG 3.84Å; T127-M129 HydrophobicContact CG2-SD 4.4Å
128	M	95.6	Very high	92.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.1	172.5	-173.4	174.2	-74.5	0	0	109.4	I50 V52 L64 F67 I73 Q74 V75 L76 I252	I50-M128 HydrophobicContact CD1-CE 4.33Å; I50-M128 HydrophobicContact CG2-CE 4.28Å; I50-M128 CarbonylContact O-C 3.52Å; I50-M128 WeakPolarHBondContact O-CA 3.36Å; V52-M128 HydrophobicContact CG2-CG 3.66Å; V52-M128 HydrophobicContact CG2-SD 3.81Å; L64-M128 HydrophobicContact CD1-CG 4.37Å; L64-M128 HydrophobicContact CD1-SD 4.42Å; L64-M128 HydrophobicContact CG-CG 4.3Å; L64-M128 HydrophobicContact CG-SD 4.4Å; F67-M128 HydrophobicContact CB-CE 4.17Å; F67-M128 HydrophobicContact CB-SD 3.98Å; F67-M128 HydrophobicContact CD2-CE 3.69Å; F67-M128 HydrophobicContact CD2-SD 3.79Å; F67-M128 HydrophobicContact CE2-CE 4.25Å; F67-M128 HydrophobicContact CG-CE 3.86Å; F67-M128 HydrophobicContact CG-SD 4.12Å; I73-M128 HydrophobicContact CG2-CB 3.97Å; Q74-M128 PolarHBondContact O-N 3.01Å; V75-M128 CarbonylContact C-O 3.52Å; V75-M128 WeakPolarHBondContact CA-O 3.43Å; L76-M128 PolarHBondContact N-O 3.38Å; M128-I252 HydrophobicContact CE-CG2 3.65Å
129	M	96.6	Very high	93	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.02	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.6	-174.1	-57.6	-177.1	58.2	0	0	110.7	V49 I50 V52 L76 K117 T127 R131	V49-M129 HydrophobicContact CG1-CG 4.36Å; V49-M129 HydrophobicContact CG1-SD 3.73Å; I50-M129 PolarHBondContact O-N 3.37Å; V52-M129 PolarHBondContact N-O 2.92Å; L76-M129 HydrophobicContact CB-CG 4.13Å; L76-M129 HydrophobicContact CD1-CE 4.47Å; L76-M129 HydrophobicContact CD1-CG 4.08Å; L76-M129 HydrophobicContact CD1-SD 4.4Å; L76-M129 CarbonylContact O-C 3.57Å; L76-M129 WeakPolarHBondContact O-CA 3.32Å; K117-M129 HydrophobicContact CB-CE 3.8Å; T127-M129 HydrophobicContact CG2-CG 3.84Å; T127-M129 HydrophobicContact CG2-SD 4.4Å; M129-R131 PolarHBondContact O-N 2.82Å
130	E	97.8	Very high	93.4	Very high	13 Å²	13	23 Å²	23	6%	0.061	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	114.3	167.2	-162.5	172.5	-167	0	0	108.1	K60 T61 L64 L76 T77 E78	K60-E130 HydrophobicContact CB-CG 3.87Å; K60-E130 HydrophobicContact CD-CG 4.13Å; T61-E130 PolarHBondContact N-OE1 2.86Å; T61-E130 PolarHBondContact OG1-OE1 2.79Å; L64-E130 HydrophobicContact CD1-CB 4.33Å; L64-E130 HydrophobicContact CD2-CB 3.58Å; L64-E130 HydrophobicContact CD2-CG 4.37Å; L76-E130 PolarHBondContact O-N 3.38Å; T77-E130 WeakPolarHBondContact CB-OE2 3.21Å; E78-E130 HydrophobicContact CB-CG 4.46Å; E78-E130 HydrophobicContact CG-CB 3.95Å; E78-E130 HydrophobicContact CG-CG 3.8Å; E78-E130 WeakPolarHBondContact CG-O 3.45Å; E78-E130 PolarHBondContact N-OE2 3.28Å
131	R	97.9	Very high	94	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.019	13%	0.134	C	C	.	.	S	Bend	trans	58.1	-179.6	-172	-60.4	-162.1	-171.4	-87.3	-0	114.5	V52 E53 G54 K60 E78 M114 M129 S135 F140	V52-R131 PolarHBondContact O-N 2.81Å; E53-R131 WeakPolarHBondContact OE1-CA 3.47Å; E53-R131 IonicContact OE2-NH1 3.3Å; G54-R131 PolarHBondContact O-NH1 3.47Å; G54-R131 PolarHBondContact O-NH2 3.2Å; K60-R131 HydrophobicContact CD-CG 4.15Å; K60-R131 VanDerWaalsContact NZ-NH2 3.19Å; E78-R131 VanDerWaalsContact CD-CD 3.43Å; E78-R131 HydrophobicContact CG-CB 4.23Å; E78-R131 HydrophobicContact CG-CG 4.19Å; E78-R131 WeakPolarHBondContact OE1-CD 3.41Å; E78-R131 IonicContact OE1-NE 3.17Å; E78-R131 PolarHBondContact OE1-NE 3.46Å; E78-R131 IonicContact OE2-NE 3.56Å; E78-R131 PolarHBondContact OE2-NE 2.98Å; M114-R131 VanDerWaalsContact CE-C 3.44Å; M114-R131 HydrophobicContact CE-CB 3.98Å; M114-R131 WeakPolarHBondContact CE-O 3.44Å; M129-R131 PolarHBondContact O-N 2.82Å; R131-S135 WeakPolarHBondContact CB-OG 3.14Å; R131-F140 VanDerWaalsContact CZ-CZ 3.46Å
132	S	97.3	Very high	94.7	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.014	11%	0.112	C	C	.	.			trans	-142.8	166.2	178.4	65.1	0	0	0	0	111.6	E53 M114 F134 S135 A136	E53-S132 VanDerWaalsContact OE1-CB 3.31Å; E53-S132 WeakPolarHBondContact OE1-CB 3.31Å; E53-S132 PolarHBondContact OE1-N 3.41Å; E53-S132 PolarHBondContact OE1-OG 3.02Å; M114-S132 VanDerWaalsContact CE-CA 3.46Å; S132-F134 PolarHBondContact O-N 3.25Å; S132-F134 WeakPolarHBondContact OG-CB 2.83Å; S132-F134 PolarHBondContact OG-N 2.79Å; S132-S135 PolarHBondContact N-OG 2.92Å; S132-S135 PolarHBondContact O-N 2.85Å; S132-S135 VanDerWaalsContact O-N 3.16Å; S132-S135 PolarHBondContact O-OG 3.37Å; S132-S135 PolarHBondContact OG-N 3.38Å; S132-A136 PolarHBondContact O-N 3.03Å
133	I	96.9	Very high	95.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.1	-26.8	169.7	-168.6	167.5	0	0	0	112.1	M114 L115 A136 K137 F162 I165 L171	M114-I133 HydrophobicContact CB-CB 4.13Å; L115-I133 HydrophobicContact CB-CD1 4.22Å; I133-A136 WeakPolarHBondContact O-CB 3.3Å; I133-A136 PolarHBondContact O-N 2.96Å; I133-K137 PolarHBondContact O-N 3.2Å; I133-F162 HydrophobicContact CG1-CD2 4.12Å; I133-F162 HydrophobicContact CG1-CE2 4.18Å; I133-F162 HydrophobicContact CG2-CE2 4.45Å; I133-I165 HydrophobicContact CD1-CD1 4.07Å; I133-I165 HydrophobicContact CD1-CG2 3.94Å; I133-L171 HydrophobicContact CG2-CD1 3.77Å
134	F	98.1	Very high	96.3	Very high	24 Å²	24	12 Å²	12	11%	0.105	7%	0.066	C	C	.	.	H	α-helix	trans	-63.8	-46.4	174.7	-55.7	-82.6	0	0	0	111.3	S132 A136 K137 H138 F162 T166 L171 V173 W216 P226	S132-F134 PolarHBondContact O-N 3.25Å; S132-F134 WeakPolarHBondContact OG-CB 2.83Å; S132-F134 PolarHBondContact OG-N 2.79Å; F134-A136 VanDerWaalsContact C-N 3.34Å; F134-A136 PolarHBondContact O-N 2.9Å; F134-K137 PolarHBondContact O-N 2.98Å; F134-K137 VanDerWaalsContact O-N 3.15Å; F134-H138 PolarHBondContact O-CD2 2.99Å; F134-H138 PolarHBondContact O-N 3.5Å; F134-F162 HydrophobicContact CD1-CE2 4.32Å; F134-F162 AromaticContact CD1-CZ 3.79Å; F134-F162 HydrophobicContact CD1-CZ 3.79Å; F134-F162 HydrophobicContact CE1-CZ 4.28Å; F134-T166 HydrophobicContact CE1-CG2 4.19Å; F134-L171 HydrophobicContact CZ-CB 4.39Å; F134-V173 HydrophobicContact CD2-CG2 4.35Å; F134-V173 HydrophobicContact CE2-CG2 3.73Å; F134-W216 HydrophobicContact CB-CH2 3.75Å; F134-W216 HydrophobicContact CB-CZ2 3.61Å; F134-P226 HydrophobicContact CD1-CB 4.43Å; F134-P226 HydrophobicContact CD1-CG 4.13Å; F134-P226 HydrophobicContact CD2-CG 3.89Å; F134-P226 HydrophobicContact CE1-CB 4.07Å; F134-P226 HydrophobicContact CE1-CG 4.23Å; F134-P226 HydrophobicContact CE2-CB 4.18Å; F134-P226 HydrophobicContact CE2-CG 4Å; F134-P226 HydrophobicContact CG-CG 3.98Å; F134-P226 HydrophobicContact CZ-CB 3.94Å; F134-P226 HydrophobicContact CZ-CG 4.17Å
135	S	97.8	Very high	96.8	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-66.3	-34.9	176.1	72.9	0	0	0	0	112.7	E53 R131 S132 K137 I139 F140	E53-S135 WeakPolarHBondContact OE2-CB 3.35Å; E53-S135 PolarHBondContact OE2-OG 2.86Å; R131-S135 WeakPolarHBondContact CB-OG 3.14Å; S132-S135 PolarHBondContact N-OG 2.92Å; S132-S135 PolarHBondContact O-N 2.85Å; S132-S135 VanDerWaalsContact O-N 3.16Å; S132-S135 PolarHBondContact O-OG 3.37Å; S132-S135 PolarHBondContact OG-N 3.38Å; S135-K137 PolarHBondContact O-N 3.21Å; S135-I139 WeakPolarHBondContact O-CA 3.44Å; S135-I139 WeakPolarHBondContact O-CB 3.49Å; S135-I139 PolarHBondContact O-N 3.46Å; S135-F140 PolarHBondContact O-N 2.93Å
136	A	97.3	Very high	97.2	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.017	7%	0.073	C	C	.	.	I	π-helix	trans	-55	-42.8	172.2	0	0	0	0	0	110.8	I110 S132 I133 F134 F140 V141	I110-A136 HydrophobicContact CG2-CB 3.69Å; S132-A136 PolarHBondContact O-N 3.03Å; I133-A136 WeakPolarHBondContact O-CB 3.3Å; I133-A136 PolarHBondContact O-N 2.96Å; F134-A136 VanDerWaalsContact C-N 3.34Å; F134-A136 PolarHBondContact O-N 2.9Å; A136-F140 PolarHBondContact O-N 2.83Å; A136-V141 WeakPolarHBondContact O-CG2 3.49Å; A136-V141 PolarHBondContact O-N 2.94Å
137	K	97.8	Very high	97.4	Very high	5 Å²	5	19 Å²	19	2%	0.022	9%	0.086	C	C	.	.	I	π-helix	trans	-77.7	-60.1	178.6	176.9	55.9	-173.8	143	0	113.6	I133 F134 S135 I139 V141 E142 Y155 N159 F162	I133-K137 PolarHBondContact O-N 3.2Å; F134-K137 PolarHBondContact O-N 2.98Å; F134-K137 VanDerWaalsContact O-N 3.15Å; S135-K137 PolarHBondContact O-N 3.21Å; K137-I139 VanDerWaalsContact C-N 3.32Å; K137-I139 PolarHBondContact O-N 3.45Å; K137-V141 HydrophobicContact CD-CB 4.19Å; K137-V141 HydrophobicContact CD-CG1 4.15Å; K137-V141 WeakPolarHBondContact O-CB 3.09Å; K137-E142 PolarHBondContact O-N 3.2Å; K137-Y155 VanDerWaalsContact NZ-CE2 3.28Å; K137-N159 VanDerWaalsContact CE-CG 3.41Å; K137-N159 WeakPolarHBondContact CE-OD1 3.27Å; K137-N159 PolarHBondContact NZ-ND2 3.23Å; K137-N159 PolarHBondContact NZ-OD1 3.06Å; K137-F162 HydrophobicContact CB-CD1 4.32Å; K137-F162 HydrophobicContact CB-CD2 3.55Å; K137-F162 HydrophobicContact CB-CE1 4.38Å; K137-F162 HydrophobicContact CB-CE2 3.62Å; K137-F162 HydrophobicContact CB-CG 3.91Å; K137-F162 HydrophobicContact CB-CZ 4.04Å; K137-F162 HydrophobicContact CD-CB 4.35Å; K137-F162 HydrophobicContact CD-CG 4.31Å; K137-F162 HydrophobicContact CG-CB 4.32Å; K137-F162 HydrophobicContact CG-CD1 3.81Å; K137-F162 HydrophobicContact CG-CD2 3.94Å; K137-F162 HydrophobicContact CG-CE1 4.02Å; K137-F162 HydrophobicContact CG-CE2 4.16Å; K137-F162 HydrophobicContact CG-CG 3.75Å; K137-F162 HydrophobicContact CG-CZ 4.18Å
138	H	98.3	Very high	97.6	Very high	34 Å²	34	21.3 Å²	21.3	16%	0.157	11%	0.11	C	C	.	.	I	π-helix	trans	-77.4	-17.7	-168.3	-58.6	-54.1	0	0	0	113.8	F134 E142 F162 W216 A223	F134-H138 PolarHBondContact O-CD2 2.99Å; F134-H138 PolarHBondContact O-N 3.5Å; H138-E142 VanDerWaalsContact O-CB 3.32Å; H138-E142 WeakPolarHBondContact O-CB 3.4Å; H138-F162 AromaticContact NE2-CE1 3.94Å; H138-F162 AromaticContact NE2-CZ 3.72Å; H138-W216 HydrophobicContact CB-CD2 4.23Å; H138-W216 HydrophobicContact CB-CG 4.42Å; H138-W216 AromaticContact CD2-NE1 3.99Å; H138-A223 HydrophobicContact CB-CB 4.5Å; H138-A223 VanDerWaalsContact CE1-CB 3.46Å; H138-A223 WeakPolarHBondContact CE1-CB 3.48Å; H138-A223 VanDerWaalsContact ND1-CB 3.33Å; H138-A223 WeakPolarHBondContact ND1-CB 3.28Å
139	I	98.4	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-105.9	-61.4	175.7	-52.9	-57.7	0	0	0	110.6	S135 K137 N143 I209 L212 H213 W216	S135-I139 WeakPolarHBondContact O-CA 3.44Å; S135-I139 WeakPolarHBondContact O-CB 3.49Å; S135-I139 PolarHBondContact O-N 3.46Å; K137-I139 VanDerWaalsContact C-N 3.32Å; K137-I139 PolarHBondContact O-N 3.45Å; I139-N143 WeakPolarHBondContact O-CB 3.16Å; I139-N143 PolarHBondContact O-N 3.44Å; I139-I209 HydrophobicContact CG2-CD1 3.92Å; I139-I209 HydrophobicContact CG2-CG2 3.89Å; I139-L212 VanDerWaalsContact CD1-C 3.44Å; I139-L212 HydrophobicContact CD1-CB 3.74Å; I139-L212 WeakPolarHBondContact CD1-O 3.47Å; I139-L212 HydrophobicContact CG2-CB 4.45Å; I139-L212 WeakPolarHBondContact O-CD1 3.3Å; I139-H213 HydrophobicContact CD1-CB 4.4Å; I139-W216 HydrophobicContact CD1-CE3 3.86Å; I139-W216 HydrophobicContact CG1-CE3 4.02Å; I139-W216 HydrophobicContact CG1-CZ3 4.25Å
140	F	97.9	Very high	97.7	Very high	23 Å²	23	25.1 Å²	25.1	10%	0.101	13%	0.127	C	C	.	.	I	π-helix	trans	-83.2	-43.6	-165.1	-67	-75.9	0	0	0	114.2	R131 S135 A136 E142 N143 L144 I209	R131-F140 VanDerWaalsContact CZ-CZ 3.46Å; S135-F140 PolarHBondContact O-N 2.93Å; A136-F140 PolarHBondContact O-N 2.83Å; F140-E142 VanDerWaalsContact C-N 3.34Å; F140-N143 PolarHBondContact O-N 3.26Å; F140-L144 WeakPolarHBondContact O-CG 3.41Å; F140-L144 PolarHBondContact O-N 3.45Å; F140-L144 VanDerWaalsContact O-N 3.13Å; F140-I209 HydrophobicContact CD1-CD1 4.23Å; F140-I209 HydrophobicContact CE1-CD1 4.21Å
141	V	98.3	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	I	π-helix	trans	-63.8	-44.4	171.4	172.4	0	0	0	0	110	Q107 A136 K137 N143 L144 Y145 M150 Y155 L158	Q107-V141 HydrophobicContact CB-CG2 3.81Å; Q107-V141 HydrophobicContact CG-CG2 3.82Å; A136-V141 WeakPolarHBondContact O-CG2 3.49Å; A136-V141 PolarHBondContact O-N 2.94Å; K137-V141 HydrophobicContact CD-CB 4.19Å; K137-V141 HydrophobicContact CD-CG1 4.15Å; K137-V141 WeakPolarHBondContact O-CB 3.09Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 3.13Å; V141-L144 PolarHBondContact O-N 3.38Å; V141-Y145 PolarHBondContact O-N 2.98Å; V141-Y145 VanDerWaalsContact O-N 3.08Å; V141-M150 HydrophobicContact CG1-SD 4.13Å; V141-Y155 HydrophobicContact CG1-CD2 3.7Å; V141-Y155 HydrophobicContact CG1-CE2 3.96Å; V141-L158 HydrophobicContact CG1-CB 4.16Å; V141-L158 HydrophobicContact CG1-CD1 4.15Å; V141-L158 HydrophobicContact CG2-CD1 4.07Å
142	E	98.3	Very high	97.7	Very high	23 Å²	23	35.8 Å²	35.8	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-42.7	177.2	-166.7	63.4	-168	0	0	112.5	K137 H138 F140 Y145 R146 Y155 L212	K137-E142 PolarHBondContact O-N 3.2Å; H138-E142 VanDerWaalsContact O-CB 3.32Å; H138-E142 WeakPolarHBondContact O-CB 3.4Å; F140-E142 VanDerWaalsContact C-N 3.34Å; E142-Y145 PolarHBondContact O-N 3.03Å; E142-R146 HydrophobicContact CG-CG 4.28Å; E142-R146 WeakPolarHBondContact O-CB 3.5Å; E142-R146 WeakPolarHBondContact O-CG 3.1Å; E142-R146 PolarHBondContact O-N 3.12Å; E142-R146 IonicContact OE1-CZ 3.62Å; E142-R146 IonicContact OE1-NE 3.89Å; E142-R146 PolarHBondContact OE1-NE 3.24Å; E142-R146 IonicContact OE1-NH2 2.76Å; E142-R146 PolarHBondContact OE1-NH2 2.67Å; E142-Y155 VanDerWaalsContact OE2-CE2 3.31Å; E142-Y155 WeakPolarHBondContact OE2-CE2 3.34Å; E142-Y155 PolarHBondContact OE2-OH 3.4Å; E142-L212 HydrophobicContact CG-CD2 4.07Å
143	N	98	Very high	97.7	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-50.6	175.2	168.8	48.3	0	0	0	112.3	I139 F140 V141 Y145 R146 S147 Y205 F208 I209 L212	I139-N143 WeakPolarHBondContact O-CB 3.16Å; I139-N143 PolarHBondContact O-N 3.44Å; F140-N143 PolarHBondContact O-N 3.26Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 3.13Å; N143-Y145 VanDerWaalsContact C-N 3.27Å; N143-Y145 PolarHBondContact O-N 3.34Å; N143-R146 PolarHBondContact O-N 3.26Å; N143-S147 VanDerWaalsContact O-CB 3.27Å; N143-S147 WeakPolarHBondContact O-CB 3.4Å; N143-S147 PolarHBondContact O-N 2.77Å; N143-S147 PolarHBondContact O-OG 3.2Å; N143-Y205 WeakPolarHBondContact ND2-CE2 3.36Å; N143-Y205 VanDerWaalsContact ND2-CZ 3.35Å; N143-Y205 PolarHBondContact ND2-OH 3.22Å; N143-Y205 VanDerWaalsContact ND2-OH 3.14Å; N143-F208 HydrophobicContact CB-CE1 4.47Å; N143-F208 WeakPolarHBondContact OD1-CD1 3.3Å; N143-F208 WeakPolarHBondContact OD1-CE1 3.48Å; N143-I209 HydrophobicContact CB-CD1 3.8Å; N143-L212 HydrophobicContact CB-CD1 3.66Å
144	L	97.9	Very high	97.8	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-39.4	-178.8	-73.8	169.9	0	0	0	111.6	P99 Q107 F140 V141 S147 K149 M150	P99-L144 HydrophobicContact CB-CD2 4.01Å; Q107-L144 HydrophobicContact CG-CD1 3.53Å; F140-L144 WeakPolarHBondContact O-CG 3.41Å; F140-L144 PolarHBondContact O-N 3.45Å; F140-L144 VanDerWaalsContact O-N 3.13Å; V141-L144 PolarHBondContact O-N 3.38Å; L144-S147 PolarHBondContact O-OG 2.89Å; L144-K149 HydrophobicContact CD2-CB 4.05Å; L144-K149 CarbonylContact O-C 3.54Å; L144-K149 WeakPolarHBondContact O-CA 3.46Å; L144-K149 WeakPolarHBondContact O-CB 3.49Å; L144-K149 PolarHBondContact O-N 3.5Å; L144-M150 HydrophobicContact CB-CB 3.97Å; L144-M150 HydrophobicContact CB-CE 3.85Å; L144-M150 HydrophobicContact CD1-CE 3.73Å; L144-M150 HydrophobicContact CG-CE 4.46Å; L144-M150 PolarHBondContact O-N 3.31Å; L144-M150 VanDerWaalsContact O-N 3.1Å
145	Y	98.3	Very high	97.8	Very high	78 Å²	78	41.8 Å²	41.8	31%	0.306	21%	0.213	S	C	.	.	H	α-helix	trans	-69.4	-52.9	177.3	-178.2	-118.1	0	0	0	112.5	V141 E142 N143 S147 G148 E152 Y155	V141-Y145 PolarHBondContact O-N 2.98Å; V141-Y145 VanDerWaalsContact O-N 3.08Å; E142-Y145 PolarHBondContact O-N 3.03Å; N143-Y145 VanDerWaalsContact C-N 3.27Å; N143-Y145 PolarHBondContact O-N 3.34Å; Y145-S147 PolarHBondContact O-N 3.21Å; Y145-G148 PolarHBondContact O-N 3.3Å; Y145-E152 HydrophobicContact CE2-CB 4.22Å; Y145-E152 HydrophobicContact CE2-CG 4.45Å; Y145-Y155 AromaticContact CD1-CD1 3.85Å; Y145-Y155 HydrophobicContact CD1-CD1 3.85Å; Y145-Y155 AromaticContact CD1-CD2 3.84Å; Y145-Y155 HydrophobicContact CD1-CD2 3.84Å; Y145-Y155 AromaticContact CD1-CE1 3.79Å; Y145-Y155 HydrophobicContact CD1-CE1 3.79Å; Y145-Y155 AromaticContact CD1-CE2 3.74Å; Y145-Y155 HydrophobicContact CD1-CE2 3.74Å; Y145-Y155 AromaticContact CD1-CG 3.87Å; Y145-Y155 HydrophobicContact CD1-CG 3.87Å; Y145-Y155 AromaticContact CD1-CZ 3.72Å; Y145-Y155 HydrophobicContact CD2-CD1 4.1Å; Y145-Y155 HydrophobicContact CD2-CD2 4.08Å; Y145-Y155 AromaticContact CD2-CG 3.67Å; Y145-Y155 HydrophobicContact CD2-CG 3.67Å; Y145-Y155 AromaticContact CE1-CD1 3.86Å; Y145-Y155 HydrophobicContact CE1-CD1 3.86Å; Y145-Y155 AromaticContact CE1-CE1 3.81Å; Y145-Y155 HydrophobicContact CE1-CE1 3.81Å; Y145-Y155 HydrophobicContact CE1-CG 4.29Å; Y145-Y155 HydrophobicContact CE2-CD1 4.11Å; Y145-Y155 HydrophobicContact CE2-CG 4.12Å; Y145-Y155 AromaticContact CG-CD1 3.97Å; Y145-Y155 HydrophobicContact CG-CD1 3.97Å; Y145-Y155 AromaticContact CG-CD2 3.49Å; Y145-Y155 HydrophobicContact CG-CD2 3.49Å; Y145-Y155 VanDerWaalsContact CG-CD2 3.49Å; Y145-Y155 HydrophobicContact CG-CE1 4.33Å; Y145-Y155 AromaticContact CG-CE2 3.86Å; Y145-Y155 HydrophobicContact CG-CE2 3.86Å; Y145-Y155 AromaticContact CG-CG 3.53Å; Y145-Y155 HydrophobicContact CG-CG 3.53Å; Y145-Y155 AromaticContact CZ-CD1 3.99Å
146	R	97.6	Very high	97.8	Very high	129 Å²	129	45.3 Å²	45.3	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-64.2	-26.3	-178.7	-69.7	-170.6	-177.3	-165.2	3.2	113.9	E142 N143 G148 F208	E142-R146 HydrophobicContact CG-CG 4.28Å; E142-R146 WeakPolarHBondContact O-CB 3.5Å; E142-R146 WeakPolarHBondContact O-CG 3.1Å; E142-R146 PolarHBondContact O-N 3.12Å; E142-R146 IonicContact OE1-CZ 3.62Å; E142-R146 IonicContact OE1-NE 3.89Å; E142-R146 PolarHBondContact OE1-NE 3.24Å; E142-R146 IonicContact OE1-NH2 2.76Å; E142-R146 PolarHBondContact OE1-NH2 2.67Å; N143-R146 PolarHBondContact O-N 3.26Å; R146-G148 VanDerWaalsContact C-N 3.27Å; R146-G148 PolarHBondContact O-N 3.37Å; R146-F208 HydrophobicContact CB-CE1 4.06Å; R146-F208 HydrophobicContact CB-CZ 3.71Å
147	S	96.1	Very high	97.9	Very high	45 Å²	45	48.3 Å²	48.3	32%	0.315	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	5.2	175.1	61.4	0	0	0	0	113.9	N143 L144 Y145 K149	N143-S147 VanDerWaalsContact O-CB 3.27Å; N143-S147 WeakPolarHBondContact O-CB 3.4Å; N143-S147 PolarHBondContact O-N 2.77Å; N143-S147 PolarHBondContact O-OG 3.2Å; L144-S147 PolarHBondContact O-OG 2.89Å; Y145-S147 PolarHBondContact O-N 3.21Å; S147-K149 PolarHBondContact O-N 3.07Å; S147-K149 WeakPolarHBondContact OG-CD 3.23Å
148	G	97	Very high	97.9	Very high	51 Å²	51	48.1 Å²	48.1	53%	0.526	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	19.6	-179	0	0	0	0	0	113.7	Y145 R146	Y145-G148 PolarHBondContact O-N 3.3Å; R146-G148 VanDerWaalsContact C-N 3.27Å; R146-G148 PolarHBondContact O-N 3.37Å
149	K	97	Very high	97.8	Very high	72 Å²	72	48.1 Å²	48.1	31%	0.313	25%	0.247	S	C	.	.			trans	-99.7	4	-179.2	-65.7	175.2	-179.6	174.6	0	112.9	P99 Q100 L144 S147	P99-K149 HydrophobicContact CB-CB 4.2Å; P99-K149 HydrophobicContact CB-CD 4Å; P99-K149 HydrophobicContact CB-CG 4.44Å; P99-K149 HydrophobicContact CG-CB 4.37Å; P99-K149 HydrophobicContact CG-CD 3.68Å; P99-K149 HydrophobicContact CG-CG 4.12Å; Q100-K149 WeakPolarHBondContact CA-O 3.4Å; Q100-K149 HydrophobicContact CG-CB 4.48Å; L144-K149 HydrophobicContact CD2-CB 4.05Å; L144-K149 CarbonylContact O-C 3.54Å; L144-K149 WeakPolarHBondContact O-CA 3.46Å; L144-K149 WeakPolarHBondContact O-CB 3.49Å; L144-K149 PolarHBondContact O-N 3.5Å; S147-K149 PolarHBondContact O-N 3.07Å; S147-K149 WeakPolarHBondContact OG-CD 3.23Å
150	M	97.8	Very high	97.8	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.069	28%	0.275	C	S	.	.	S	Bend	trans	-137.8	132.5	176	178.9	175.6	-73	0	0	108.8	Q107 V141 L144 D154 Y155 L158	Q107-M150 HydrophobicContact CG-CE 4.2Å; V141-M150 HydrophobicContact CG1-SD 4.13Å; L144-M150 HydrophobicContact CB-CB 3.97Å; L144-M150 HydrophobicContact CB-CE 3.85Å; L144-M150 HydrophobicContact CD1-CE 3.73Å; L144-M150 HydrophobicContact CG-CE 4.46Å; L144-M150 PolarHBondContact O-N 3.31Å; L144-M150 VanDerWaalsContact O-N 3.1Å; M150-D154 HydrophobicContact CG-CB 3.77Å; M150-D154 HydrophobicContact SD-CB 4.47Å; M150-Y155 HydrophobicContact SD-CD2 4.32Å; M150-L158 HydrophobicContact CE-CD1 3.5Å; M150-L158 HydrophobicContact SD-CD1 3.8Å
151	L	97.6	Very high	97.7	Very high	117 Å²	117	57.8 Å²	57.8	61%	0.613	29%	0.288	S	S	*	.			trans	-64.9	149.5	174.9	-63.2	176.2	0	0	0	110.1	V153 D154 Y155	L151-V153 VanDerWaalsContact C-N 3.28Å; L151-V153 HydrophobicContact CB-CG1 4.18Å; L151-V153 PolarHBondContact O-N 2.97Å; L151-D154 HydrophobicContact CB-CB 4.43Å; L151-D154 WeakPolarHBondContact O-CB 3.24Å; L151-D154 PolarHBondContact O-N 2.78Å; L151-D154 VanDerWaalsContact O-N 3.1Å; L151-Y155 PolarHBondContact O-N 3.38Å
152	E	98.1	Very high	97.7	Very high	124 Å²	124	58.3 Å²	58.3	58%	0.579	29%	0.29	S	S	*	.	H	α-helix	trans	-57.5	-41.6	179.1	-176.9	177.4	-154.2	0	0	112.3	Y145 D154 Y155 I156	Y145-E152 HydrophobicContact CE2-CB 4.22Å; Y145-E152 HydrophobicContact CE2-CG 4.45Å; E152-D154 VanDerWaalsContact C-N 3.32Å; E152-D154 PolarHBondContact O-N 3.47Å; E152-Y155 WeakPolarHBondContact O-CB 3.29Å; E152-Y155 PolarHBondContact O-N 3.37Å; E152-I156 HydrophobicContact CG-CD1 3.92Å; E152-I156 HydrophobicContact CG-CG1 4.48Å; E152-I156 VanDerWaalsContact O-CG1 3.31Å; E152-I156 WeakPolarHBondContact O-CG1 3.43Å; E152-I156 PolarHBondContact O-N 2.87Å
153	V	97.9	Very high	97.6	Very high	83 Å²	83	61.1 Å²	61.1	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-40.2	177.1	67.1	0	0	0	0	112.3	L151 I156 I157	L151-V153 VanDerWaalsContact C-N 3.28Å; L151-V153 HydrophobicContact CB-CG1 4.18Å; L151-V153 PolarHBondContact O-N 2.97Å; V153-I156 PolarHBondContact O-N 3Å; V153-I157 HydrophobicContact CG2-CD1 4.1Å; V153-I157 VanDerWaalsContact O-CG1 3.27Å; V153-I157 WeakPolarHBondContact O-CG1 3.32Å; V153-I157 PolarHBondContact O-N 2.89Å
154	D	98.1	Very high	97.5	Very high	29 Å²	29	66.1 Å²	66.1	16%	0.155	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-40.1	178.5	-72.5	-15.7	0	0	0	111	I104 M150 L151 E152 I157 L158	I104-D154 HydrophobicContact CB-CB 4.18Å; I104-D154 HydrophobicContact CD1-CB 3.74Å; I104-D154 VanDerWaalsContact CD1-OD1 3.28Å; I104-D154 WeakPolarHBondContact CD1-OD1 3.38Å; I104-D154 HydrophobicContact CG1-CB 4.37Å; M150-D154 HydrophobicContact CG-CB 3.77Å; M150-D154 HydrophobicContact SD-CB 4.47Å; L151-D154 HydrophobicContact CB-CB 4.43Å; L151-D154 WeakPolarHBondContact O-CB 3.24Å; L151-D154 PolarHBondContact O-N 2.78Å; L151-D154 VanDerWaalsContact O-N 3.1Å; E152-D154 VanDerWaalsContact C-N 3.32Å; E152-D154 PolarHBondContact O-N 3.47Å; D154-I157 PolarHBondContact O-N 3.08Å; D154-L158 WeakPolarHBondContact O-CG 3.48Å; D154-L158 PolarHBondContact O-N 2.78Å
155	Y	98.4	Very high	97.3	Very high	40 Å²	40	66.3 Å²	66.3	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-48.3	174.2	178.1	-106.5	0	0	0	111.2	K137 V141 E142 Y145 M150 L151 E152 I157 L158 N159	K137-Y155 VanDerWaalsContact NZ-CE2 3.28Å; V141-Y155 HydrophobicContact CG1-CD2 3.7Å; V141-Y155 HydrophobicContact CG1-CE2 3.96Å; E142-Y155 VanDerWaalsContact OE2-CE2 3.31Å; E142-Y155 WeakPolarHBondContact OE2-CE2 3.34Å; E142-Y155 PolarHBondContact OE2-OH 3.4Å; Y145-Y155 AromaticContact CD1-CD1 3.85Å; Y145-Y155 HydrophobicContact CD1-CD1 3.85Å; Y145-Y155 AromaticContact CD1-CD2 3.84Å; Y145-Y155 HydrophobicContact CD1-CD2 3.84Å; Y145-Y155 AromaticContact CD1-CE1 3.79Å; Y145-Y155 HydrophobicContact CD1-CE1 3.79Å; Y145-Y155 AromaticContact CD1-CE2 3.74Å; Y145-Y155 HydrophobicContact CD1-CE2 3.74Å; Y145-Y155 AromaticContact CD1-CG 3.87Å; Y145-Y155 HydrophobicContact CD1-CG 3.87Å; Y145-Y155 AromaticContact CD1-CZ 3.72Å; Y145-Y155 HydrophobicContact CD2-CD1 4.1Å; Y145-Y155 HydrophobicContact CD2-CD2 4.08Å; Y145-Y155 AromaticContact CD2-CG 3.67Å; Y145-Y155 HydrophobicContact CD2-CG 3.67Å; Y145-Y155 AromaticContact CE1-CD1 3.86Å; Y145-Y155 HydrophobicContact CE1-CD1 3.86Å; Y145-Y155 AromaticContact CE1-CE1 3.81Å; Y145-Y155 HydrophobicContact CE1-CE1 3.81Å; Y145-Y155 HydrophobicContact CE1-CG 4.29Å; Y145-Y155 HydrophobicContact CE2-CD1 4.11Å; Y145-Y155 HydrophobicContact CE2-CG 4.12Å; Y145-Y155 AromaticContact CG-CD1 3.97Å; Y145-Y155 HydrophobicContact CG-CD1 3.97Å; Y145-Y155 AromaticContact CG-CD2 3.49Å; Y145-Y155 HydrophobicContact CG-CD2 3.49Å; Y145-Y155 VanDerWaalsContact CG-CD2 3.49Å; Y145-Y155 HydrophobicContact CG-CE1 4.33Å; Y145-Y155 AromaticContact CG-CE2 3.86Å; Y145-Y155 HydrophobicContact CG-CE2 3.86Å; Y145-Y155 AromaticContact CG-CG 3.53Å; Y145-Y155 HydrophobicContact CG-CG 3.53Å; Y145-Y155 AromaticContact CZ-CD1 3.99Å; M150-Y155 HydrophobicContact SD-CD2 4.32Å; L151-Y155 PolarHBondContact O-N 3.38Å; E152-Y155 WeakPolarHBondContact O-CB 3.29Å; E152-Y155 PolarHBondContact O-N 3.37Å; Y155-I157 PolarHBondContact O-N 2.9Å; Y155-L158 PolarHBondContact O-N 3.43Å; Y155-N159 VanDerWaalsContact CD1-ND2 3.27Å; Y155-N159 WeakPolarHBondContact CD1-ND2 3.35Å; Y155-N159 WeakPolarHBondContact CE1-ND2 3.48Å; Y155-N159 VanDerWaalsContact CZ-ND2 3.34Å; Y155-N159 PolarHBondContact O-N 3.31Å; Y155-N159 PolarHBondContact O-ND2 2.99Å
156	I	98.4	Very high	97	Very high	76 Å²	76	64 Å²	64	39%	0.39	32%	0.319	S	S	.	.	H	α-helix	trans	-58	-48.5	177.6	-69	165.6	0	0	0	110.6	E152 V153 L158 N159 E160	E152-I156 HydrophobicContact CG-CD1 3.92Å; E152-I156 HydrophobicContact CG-CG1 4.48Å; E152-I156 VanDerWaalsContact O-CG1 3.31Å; E152-I156 WeakPolarHBondContact O-CG1 3.43Å; E152-I156 PolarHBondContact O-N 2.87Å; V153-I156 PolarHBondContact O-N 3Å; I156-L158 VanDerWaalsContact C-N 3.32Å; I156-L158 PolarHBondContact O-N 3.47Å; I156-N159 WeakPolarHBondContact O-CB 3.2Å; I156-N159 PolarHBondContact O-N 3.31Å; I156-N159 VanDerWaalsContact O-N 3.08Å; I156-E160 HydrophobicContact CG2-CG 4.44Å; I156-E160 PolarHBondContact O-N 3.48Å
157	I	98	Very high	96.8	Very high	64 Å²	64	62 Å²	62	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-57.6	-45.3	178.7	-70.9	165.4	0	0	0	111.3	V153 D154 Y155 N159 E160 W161	V153-I157 HydrophobicContact CG2-CD1 4.1Å; V153-I157 VanDerWaalsContact O-CG1 3.27Å; V153-I157 WeakPolarHBondContact O-CG1 3.32Å; V153-I157 PolarHBondContact O-N 2.89Å; D154-I157 PolarHBondContact O-N 3.08Å; Y155-I157 PolarHBondContact O-N 2.9Å; I157-N159 VanDerWaalsContact C-N 3.31Å; I157-N159 PolarHBondContact O-N 3.4Å; I157-E160 PolarHBondContact O-N 3.39Å; I157-W161 VanDerWaalsContact O-CD1 3.26Å; I157-W161 PolarHBondContact O-N 3Å
158	L	98.3	Very high	96.5	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-28.1	178.8	-72.8	170	0	0	0	113.3	I104 Q107 Q111 V141 M150 D154 Y155 I156 F162	I104-L158 HydrophobicContact CG1-CD1 4.32Å; I104-L158 HydrophobicContact CG1-CG 4.44Å; Q107-L158 HydrophobicContact CB-CD1 3.84Å; Q107-L158 HydrophobicContact CB-CD2 4.29Å; Q111-L158 PolarHBondContact NE2-O 3.02Å; V141-L158 HydrophobicContact CG1-CB 4.16Å; V141-L158 HydrophobicContact CG1-CD1 4.15Å; V141-L158 HydrophobicContact CG2-CD1 4.07Å; M150-L158 HydrophobicContact CE-CD1 3.5Å; M150-L158 HydrophobicContact SD-CD1 3.8Å; D154-L158 WeakPolarHBondContact O-CG 3.48Å; D154-L158 PolarHBondContact O-N 2.78Å; Y155-L158 PolarHBondContact O-N 3.43Å; I156-L158 VanDerWaalsContact C-N 3.32Å; I156-L158 PolarHBondContact O-N 3.47Å; L158-F162 WeakPolarHBondContact O-CB 3.36Å; L158-F162 PolarHBondContact O-N 2.92Å
159	N	97.6	Very high	96.1	Very high	35 Å²	35	60.4 Å²	60.4	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-52.3	169.5	-78.7	-81.9	0	0	0	110.6	K137 Y155 I156 I157 W161 F162 D163	K137-N159 VanDerWaalsContact CE-CG 3.41Å; K137-N159 WeakPolarHBondContact CE-OD1 3.27Å; K137-N159 PolarHBondContact NZ-ND2 3.23Å; K137-N159 PolarHBondContact NZ-OD1 3.06Å; Y155-N159 VanDerWaalsContact CD1-ND2 3.27Å; Y155-N159 WeakPolarHBondContact CD1-ND2 3.35Å; Y155-N159 WeakPolarHBondContact CE1-ND2 3.48Å; Y155-N159 VanDerWaalsContact CZ-ND2 3.34Å; Y155-N159 PolarHBondContact O-N 3.31Å; Y155-N159 PolarHBondContact O-ND2 2.99Å; I156-N159 WeakPolarHBondContact O-CB 3.2Å; I156-N159 PolarHBondContact O-N 3.31Å; I156-N159 VanDerWaalsContact O-N 3.08Å; I157-N159 VanDerWaalsContact C-N 3.31Å; I157-N159 PolarHBondContact O-N 3.4Å; N159-W161 VanDerWaalsContact C-N 3.27Å; N159-W161 PolarHBondContact O-N 2.89Å; N159-F162 CarbonylContact O-C 3.58Å; N159-F162 WeakPolarHBondContact O-CA 3.42Å; N159-F162 WeakPolarHBondContact O-CB 3.34Å; N159-F162 PolarHBondContact O-N 3.27Å; N159-D163 WeakPolarHBondContact O-CB 3.27Å; N159-D163 VanDerWaalsContact O-CG 3.3Å; N159-D163 PolarHBondContact O-N 3.47Å
160	E	97.8	Very high	95.7	Very high	126 Å²	126	58.2 Å²	58.2	59%	0.589	29%	0.291	S	S	*	.	H	α-helix	trans	-58.4	-40.1	-178.3	-70.8	-176.4	173.8	0	0	112.1	I156 I157 W164	I156-E160 HydrophobicContact CG2-CG 4.44Å; I156-E160 PolarHBondContact O-N 3.48Å; I157-E160 PolarHBondContact O-N 3.39Å; E160-W164 VanDerWaalsContact O-CB 3.3Å; E160-W164 WeakPolarHBondContact O-CB 3.49Å; E160-W164 PolarHBondContact O-N 3.1Å
161	W	96.3	Very high	95.4	Very high	99 Å²	99	58.4 Å²	58.4	38%	0.375	29%	0.293	S	S	.	.	H	α-helix	trans	-60.2	-48.9	172.6	-89	109.3	0	0	0	112.3	F12 I157 N159 W164 I165	F12-W161 HydrophobicContact CE1-CH2 4.13Å; F12-W161 HydrophobicContact CE1-CZ3 4.38Å; F12-W161 AromaticContact CE2-CH2 3.97Å; F12-W161 HydrophobicContact CE2-CH2 3.97Å; F12-W161 AromaticContact CE2-CZ3 3.87Å; F12-W161 HydrophobicContact CE2-CZ3 3.87Å; F12-W161 AromaticContact CZ-CH2 3.61Å; F12-W161 HydrophobicContact CZ-CH2 3.61Å; F12-W161 AromaticContact CZ-CZ3 3.5Å; F12-W161 HydrophobicContact CZ-CZ3 3.5Å; F12-W161 VanDerWaalsContact CZ-CZ3 3.5Å; I157-W161 VanDerWaalsContact O-CD1 3.26Å; I157-W161 PolarHBondContact O-N 3Å; N159-W161 VanDerWaalsContact C-N 3.27Å; N159-W161 PolarHBondContact O-N 2.89Å; W161-W164 PolarHBondContact O-N 2.89Å; W161-I165 WeakPolarHBondContact O-CD1 3.3Å; W161-I165 WeakPolarHBondContact O-CG1 3.47Å; W161-I165 PolarHBondContact O-N 3.43Å
162	F	96.7	Very high	95	Very high	11 Å²	11	54.8 Å²	54.8	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-43.8	179	176.9	-94.7	0	0	0	112.2	I133 F134 K137 H138 L158 N159 I165 T166	I133-F162 HydrophobicContact CG1-CD2 4.12Å; I133-F162 HydrophobicContact CG1-CE2 4.18Å; I133-F162 HydrophobicContact CG2-CE2 4.45Å; F134-F162 HydrophobicContact CD1-CE2 4.32Å; F134-F162 AromaticContact CD1-CZ 3.79Å; F134-F162 HydrophobicContact CD1-CZ 3.79Å; F134-F162 HydrophobicContact CE1-CZ 4.28Å; K137-F162 HydrophobicContact CB-CD1 4.32Å; K137-F162 HydrophobicContact CB-CD2 3.55Å; K137-F162 HydrophobicContact CB-CE1 4.38Å; K137-F162 HydrophobicContact CB-CE2 3.62Å; K137-F162 HydrophobicContact CB-CG 3.91Å; K137-F162 HydrophobicContact CB-CZ 4.04Å; K137-F162 HydrophobicContact CD-CB 4.35Å; K137-F162 HydrophobicContact CD-CG 4.31Å; K137-F162 HydrophobicContact CG-CB 4.32Å; K137-F162 HydrophobicContact CG-CD1 3.81Å; K137-F162 HydrophobicContact CG-CD2 3.94Å; K137-F162 HydrophobicContact CG-CE1 4.02Å; K137-F162 HydrophobicContact CG-CE2 4.16Å; K137-F162 HydrophobicContact CG-CG 3.75Å; K137-F162 HydrophobicContact CG-CZ 4.18Å; H138-F162 AromaticContact NE2-CE1 3.94Å; H138-F162 AromaticContact NE2-CZ 3.72Å; L158-F162 WeakPolarHBondContact O-CB 3.36Å; L158-F162 PolarHBondContact O-N 2.92Å; N159-F162 CarbonylContact O-C 3.58Å; N159-F162 WeakPolarHBondContact O-CA 3.42Å; N159-F162 WeakPolarHBondContact O-CB 3.34Å; N159-F162 PolarHBondContact O-N 3.27Å; F162-I165 PolarHBondContact O-N 2.92Å; F162-T166 HydrophobicContact CD1-CG2 4.25Å; F162-T166 HydrophobicContact CD2-CG2 4.29Å; F162-T166 HydrophobicContact CE1-CG2 3.84Å; F162-T166 HydrophobicContact CE2-CG2 3.87Å; F162-T166 HydrophobicContact CG-CG2 4.47Å; F162-T166 HydrophobicContact CZ-CG2 3.64Å; F162-T166 WeakPolarHBondContact O-CG2 3.5Å; F162-T166 PolarHBondContact O-N 2.97Å; F162-T166 PolarHBondContact O-OG1 3.22Å
163	D	96.3	Very high	94.8	Very high	82 Å²	82	49.7 Å²	49.7	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-65	-43.1	179.3	-68.8	-15.7	0	0	0	110.9	N159 I165 T166 T167	N159-D163 WeakPolarHBondContact O-CB 3.27Å; N159-D163 VanDerWaalsContact O-CG 3.3Å; N159-D163 PolarHBondContact O-N 3.47Å; D163-I165 PolarHBondContact O-N 3.44Å; D163-T166 PolarHBondContact O-OG1 3.33Å; D163-T167 WeakPolarHBondContact O-CB 3.37Å; D163-T167 PolarHBondContact O-N 3.06Å; D163-T167 PolarHBondContact O-OG1 3.36Å
164	W	95.9	Very high	94.6	Very high	109 Å²	109	48.4 Å²	48.4	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-45.8	174.2	-175.4	90.8	0	0	0	111.3	E160 W161 N168	E160-W164 VanDerWaalsContact O-CB 3.3Å; E160-W164 WeakPolarHBondContact O-CB 3.49Å; E160-W164 PolarHBondContact O-N 3.1Å; W161-W164 PolarHBondContact O-N 2.89Å; W164-N168 HydrophobicContact CZ2-CB 4.41Å; W164-N168 PolarHBondContact NE1-ND2 2.97Å; W164-N168 WeakPolarHBondContact O-CB 3.37Å; W164-N168 PolarHBondContact O-N 2.97Å; W164-N168 PolarHBondContact O-ND2 3.11Å
165	I	93.9	Very high	94.6	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-53.5	179.3	-70.1	163.7	0	0	0	110.5	L115 I133 W161 F162 D163 T167 N168 V169 L171	L115-I165 HydrophobicContact CD1-CG2 3.74Å; L115-I165 HydrophobicContact CD2-CD1 4.1Å; L115-I165 HydrophobicContact CD2-CG1 4.17Å; L115-I165 HydrophobicContact CD2-CG2 4.21Å; I133-I165 HydrophobicContact CD1-CD1 4.07Å; I133-I165 HydrophobicContact CD1-CG2 3.94Å; W161-I165 WeakPolarHBondContact O-CD1 3.3Å; W161-I165 WeakPolarHBondContact O-CG1 3.47Å; W161-I165 PolarHBondContact O-N 3.43Å; F162-I165 PolarHBondContact O-N 2.92Å; D163-I165 PolarHBondContact O-N 3.44Å; I165-T167 VanDerWaalsContact C-N 3.28Å; I165-T167 PolarHBondContact O-N 3.3Å; I165-N168 PolarHBondContact O-N 3.03Å; I165-V169 HydrophobicContact CG2-CB 4.46Å; I165-V169 HydrophobicContact CG2-CG2 4.48Å; I165-V169 WeakPolarHBondContact O-CA 3.28Å; I165-V169 WeakPolarHBondContact O-CB 3.25Å; I165-V169 PolarHBondContact O-N 3.21Å; I165-L171 HydrophobicContact CG2-CD1 3.91Å
166	T	92.9	Very high	94.6	Very high	29 Å²	29	45.9 Å²	45.9	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-28	-175.6	54.9	0	0	0	0	113	K38 F134 F162 D163 L171	K38-T166 PolarHBondContact NZ-O 3.23Å; F134-T166 HydrophobicContact CE1-CG2 4.19Å; F162-T166 HydrophobicContact CD1-CG2 4.25Å; F162-T166 HydrophobicContact CD2-CG2 4.29Å; F162-T166 HydrophobicContact CE1-CG2 3.84Å; F162-T166 HydrophobicContact CE2-CG2 3.87Å; F162-T166 HydrophobicContact CG-CG2 4.47Å; F162-T166 HydrophobicContact CZ-CG2 3.64Å; F162-T166 WeakPolarHBondContact O-CG2 3.5Å; F162-T166 PolarHBondContact O-N 2.97Å; F162-T166 PolarHBondContact O-OG1 3.22Å; D163-T166 PolarHBondContact O-OG1 3.33Å; T166-L171 HydrophobicContact CG2-CD1 4.12Å
167	T	91.8	Very high	94.6	Very high	87 Å²	87	42.3 Å²	42.3	53%	0.534	22%	0.215	S	C	.	.	H	α-helix	trans	-72.7	-45.5	173.8	-62.1	0	0	0	0	111.7	K38 D163 I165	K38-T167 VanDerWaalsContact CE-O 3.27Å; K38-T167 WeakPolarHBondContact CE-O 3.45Å; K38-T167 WeakPolarHBondContact CG-O 3.38Å; D163-T167 WeakPolarHBondContact O-CB 3.37Å; D163-T167 PolarHBondContact O-N 3.06Å; D163-T167 PolarHBondContact O-OG1 3.36Å; I165-T167 VanDerWaalsContact C-N 3.28Å; I165-T167 PolarHBondContact O-N 3.3Å
168	N	90.9	Very high	94.6	Very high	54 Å²	54	39.3 Å²	39.3	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-96.9	-18.1	-168.8	-66.7	-83.2	0	0	0	113.9	L39 W164 I165	L39-N168 VanDerWaalsContact CB-O 3.3Å; L39-N168 WeakPolarHBondContact CB-O 3.4Å; L39-N168 WeakPolarHBondContact CG-O 3.5Å; L39-N168 PolarHBondContact N-O 2.68Å; W164-N168 HydrophobicContact CZ2-CB 4.41Å; W164-N168 PolarHBondContact NE1-ND2 2.97Å; W164-N168 WeakPolarHBondContact O-CB 3.37Å; W164-N168 PolarHBondContact O-N 2.97Å; W164-N168 PolarHBondContact O-ND2 3.11Å; I165-N168 PolarHBondContact O-N 3.03Å
169	V	88.6	Confident	94.6	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-116.8	135.3	-175.7	-172.8	0	0	0	0	110	L115 L119 I165 L171	L115-V169 HydrophobicContact CD1-CG1 4.22Å; L119-V169 HydrophobicContact CD1-CG1 4.41Å; L119-V169 HydrophobicContact CD2-CG1 3.73Å; L119-V169 HydrophobicContact CG-CG1 4.45Å; I165-V169 HydrophobicContact CG2-CB 4.46Å; I165-V169 HydrophobicContact CG2-CG2 4.48Å; I165-V169 WeakPolarHBondContact O-CA 3.28Å; I165-V169 WeakPolarHBondContact O-CB 3.25Å; I165-V169 PolarHBondContact O-N 3.21Å; V169-L171 HydrophobicContact CG1-CD2 4Å; V169-L171 HydrophobicContact CG1-CG 4.4Å; V169-L171 PolarHBondContact O-N 2.96Å
170	S	88.6	Confident	94.7	Very high	25 Å²	25	40 Å²	40	18%	0.175	20%	0.201	C	C	.	.			trans	-75.3	118	171.3	-173.5	0	0	0	0	110.1	L39 P172	L39-S170 PolarHBondContact O-N 3.1Å; S170-P172 WeakPolarHBondContact O-CD 3.4Å
171	L	90.7	Very high	94.7	Very high	19 Å²	19	34 Å²	34	10%	0.099	17%	0.174	C	C	.	.			trans	-122.9	72.7	179	-59.6	175.1	0	0	0	108.4	L115 H118 I133 F134 I165 T166 V169 V173	L115-L171 HydrophobicContact CD1-CD2 3.83Å; H118-L171 HydrophobicContact CB-CD2 3.58Å; I133-L171 HydrophobicContact CG2-CD1 3.77Å; F134-L171 HydrophobicContact CZ-CB 4.39Å; I165-L171 HydrophobicContact CG2-CD1 3.91Å; T166-L171 HydrophobicContact CG2-CD1 4.12Å; V169-L171 HydrophobicContact CG1-CD2 4Å; V169-L171 HydrophobicContact CG1-CG 4.4Å; V169-L171 PolarHBondContact O-N 2.96Å; L171-V173 PolarHBondContact O-N 2.88Å
172	P	89.8	Confident	94.8	Very high	40 Å²	40	30.8 Å²	30.8	26%	0.26	17%	0.166	S	C	.	.			trans	-63.4	131.9	-176.6	26.7	-32.8	0	0	0	110	V49 S170	V49-P172 WeakPolarHBondContact CB-O 3.49Å; V49-P172 WeakPolarHBondContact CG1-O 3.36Å; V49-P172 HydrophobicContact CG2-CG 4.27Å; V49-P172 WeakPolarHBondContact CG2-O 3.48Å; S170-P172 WeakPolarHBondContact O-CD 3.4Å
173	V	93.8	Very high	94.9	Very high	17 Å²	17	30.9 Å²	30.9	10%	0.103	17%	0.167	C	C	.	.			trans	-134.1	122.6	168.3	-176	0	0	0	0	106.1	C51 F134 L171 I176 A227	C51-V173 HydrophobicContact CB-CG1 4.29Å; F134-V173 HydrophobicContact CD2-CG2 4.35Å; F134-V173 HydrophobicContact CE2-CG2 3.73Å; L171-V173 PolarHBondContact O-N 2.88Å; V173-I176 HydrophobicContact CG1-CG1 4.09Å; V173-A227 HydrophobicContact CB-CB 4.21Å; V173-A227 HydrophobicContact CG1-CB 3.78Å; V173-A227 WeakPolarHBondContact O-CB 3.46Å
174	N	94.9	Very high	95	Very high	56 Å²	56	31 Å²	31	30%	0.299	17%	0.165	S	C	.	.			trans	-100.6	-27.7	-176.3	-60	88.5	0	0	0	111.8	R47 T48 V49	R47-N174 PolarHBondContact O-OD1 3.08Å; T48-N174 WeakPolarHBondContact CA-OD1 3.25Å; T48-N174 HydrophobicContact CG2-CB 3.92Å; V49-N174 PolarHBondContact N-OD1 3.36Å; V49-N174 PolarHBondContact O-N 3.31Å
175	L	96.8	Very high	95.1	Very high	15 Å²	15	27 Å²	27	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.8	178.7	-179	68	0	0	0	110.1	V49 I50 C51 V177 L230 A255	V49-L175 PolarHBondContact O-N 3.31Å; I50-L175 CarbonylContact C-O 3.54Å; I50-L175 WeakPolarHBondContact CA-O 3.33Å; I50-L175 HydrophobicContact CG1-CB 4.29Å; I50-L175 HydrophobicContact CG2-CB 4.28Å; I50-L175 HydrophobicContact CG2-CD2 4.15Å; I50-L175 HydrophobicContact CG2-CG 4.36Å; C51-L175 PolarHBondContact N-O 3.13Å; L175-V177 HydrophobicContact CD2-CG2 3.87Å; L175-V177 HydrophobicContact CG-CG2 4.22Å; L175-L230 HydrophobicContact CD1-CB 4.09Å; L175-A255 HydrophobicContact CB-CB 4Å; L175-A255 HydrophobicContact CD2-CB 4.16Å
176	I	98.2	Very high	95.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.3	163.5	-67.1	165.5	0	0	0	108.1	C51 E53 V173 L217 V225 P226 A227 P228 V229 L230	C51-I176 HydrophobicContact CB-CG1 4.45Å; C51-I176 CarbonylContact O-C 3.59Å; C51-I176 VanDerWaalsContact O-CA 3.32Å; C51-I176 WeakPolarHBondContact O-CA 3.31Å; E53-I176 HydrophobicContact CB-CG2 4.06Å; E53-I176 HydrophobicContact CG-CG2 3.71Å; V173-I176 HydrophobicContact CG1-CG1 4.09Å; I176-L217 HydrophobicContact CD1-CD2 4.12Å; I176-L217 HydrophobicContact CG2-CD1 4.42Å; I176-L217 HydrophobicContact CG2-CD2 4.11Å; I176-V225 HydrophobicContact CD1-CG1 3.64Å; I176-P226 HydrophobicContact CD1-CG 3.98Å; I176-A227 HydrophobicContact CG1-CB 4.35Å; I176-P228 PolarHBondContact N-O 3.31Å; I176-V229 HydrophobicContact CB-CG2 4.28Å; I176-V229 HydrophobicContact CG2-CG1 4.34Å; I176-V229 CarbonylContact O-C 3.6Å; I176-V229 WeakPolarHBondContact O-CA 3.12Å; I176-L230 PolarHBondContact O-N 3.36Å
177	V	98.4	Very high	95.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	107.2	168.6	178.1	0	0	0	0	107.3	I50 C51 V52 E53 L175 L179 L230 I232 I252	I50-V177 HydrophobicContact CG2-CG2 3.72Å; C51-V177 PolarHBondContact O-N 2.99Å; V52-V177 CarbonylContact C-O 3.57Å; V52-V177 WeakPolarHBondContact CA-O 3.26Å; V52-V177 HydrophobicContact CG2-CB 4.36Å; E53-V177 PolarHBondContact N-O 3.43Å; L175-V177 HydrophobicContact CD2-CG2 3.87Å; L175-V177 HydrophobicContact CG-CG2 4.22Å; V177-L179 HydrophobicContact CG1-CD2 4.23Å; V177-L230 CarbonylContact C-O 3.56Å; V177-L230 WeakPolarHBondContact CA-O 3.44Å; V177-L230 HydrophobicContact CG2-CD2 4.48Å; V177-I232 HydrophobicContact CG1-CD1 3.77Å; V177-I232 HydrophobicContact CG1-CG1 4.34Å; V177-I252 HydrophobicContact CG2-CD1 4.45Å; V177-I252 HydrophobicContact CG2-CG1 4.05Å
178	Y	98.7	Very high	95.6	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.5	178.1	178.7	-143.7	0	0	0	110.3	Q180 H213 E214 L217 I218 L230 V231 I232	Y178-Q180 HydrophobicContact CD1-CB 4.1Å; Y178-Q180 HydrophobicContact CE1-CB 3.74Å; Y178-Q180 HydrophobicContact CE1-CG 3.78Å; Y178-Q180 PolarHBondContact O-N 3.15Å; Y178-Q180 VanDerWaalsContact O-N 3.14Å; Y178-H213 HydrophobicContact CE2-CB 3.9Å; Y178-H213 AromaticContact CE2-CD2 3.95Å; Y178-H213 WeakPolarHBondContact OH-CB 3.35Å; Y178-E214 WeakPolarHBondContact CE1-OE1 3.23Å; Y178-E214 PolarHBondContact OH-OE1 3.04Å; Y178-E214 VanDerWaalsContact OH-OE1 3.09Å; Y178-L217 HydrophobicContact CD1-CB 4.27Å; Y178-L217 HydrophobicContact CD1-CD1 4.19Å; Y178-L217 HydrophobicContact CD2-CD1 3.71Å; Y178-L217 HydrophobicContact CE2-CD1 4.24Å; Y178-L217 HydrophobicContact CG-CD1 3.69Å; Y178-I218 HydrophobicContact CD1-CD1 3.93Å; Y178-I218 HydrophobicContact CD1-CG1 4.38Å; Y178-I218 HydrophobicContact CE1-CD1 4.11Å; Y178-I218 HydrophobicContact CE1-CG1 4.1Å; Y178-L230 PolarHBondContact N-O 2.82Å; Y178-V231 HydrophobicContact CD1-CG1 4.24Å; Y178-V231 HydrophobicContact CD1-CG2 4.41Å; Y178-I232 PolarHBondContact O-N 3.06Å
179	L	98.6	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	92.5	169.1	-58.6	-174.1	0	0	0	108.6	V52 E53 K60 C63 V177 T181 I232 A234 Y245	V52-L179 HydrophobicContact CG1-CD1 4Å; V52-L179 HydrophobicContact CG1-CG 4Å; E53-L179 PolarHBondContact O-N 3.03Å; K60-L179 HydrophobicContact CG-CD1 4.25Å; C63-L179 HydrophobicContact CB-CD1 3.88Å; V177-L179 HydrophobicContact CG1-CD2 4.23Å; L179-T181 PolarHBondContact O-N 3.24Å; L179-I232 HydrophobicContact CD2-CB 4.08Å; L179-I232 HydrophobicContact CD2-CD1 4.44Å; L179-I232 HydrophobicContact CD2-CG2 4.43Å; L179-A234 HydrophobicContact CB-CB 4.04Å; L179-Y245 HydrophobicContact CD2-CE1 4.16Å
180	Q	98.7	Very high	96	Very high	51 Å²	51	29.3 Å²	29.3	24%	0.238	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	107.4	-179.8	-169.9	-177.9	48.3	0	0	108.6	Y178 E214 V231 I232 A234	Y178-Q180 HydrophobicContact CD1-CB 4.1Å; Y178-Q180 HydrophobicContact CE1-CB 3.74Å; Y178-Q180 HydrophobicContact CE1-CG 3.78Å; Y178-Q180 PolarHBondContact O-N 3.15Å; Y178-Q180 VanDerWaalsContact O-N 3.14Å; Q180-E214 VanDerWaalsContact NE2-CD 3.33Å; Q180-E214 PolarHBondContact NE2-OE1 3.41Å; Q180-E214 PolarHBondContact NE2-OE2 3.45Å; Q180-V231 HydrophobicContact CB-CG1 3.86Å; Q180-I232 PolarHBondContact N-O 2.94Å; Q180-A234 PolarHBondContact O-N 3.46Å
181	T	98.4	Very high	96.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	16%	0.161	C	C	.	.			trans	-124.9	138.3	180	-49.8	0	0	0	0	108.7	S58 L179 T185 H210 A234 D235	S58-T181 WeakPolarHBondContact CB-OG1 3.33Å; S58-T181 PolarHBondContact O-OG1 3.01Å; L179-T181 PolarHBondContact O-N 3.24Å; T181-T185 HydrophobicContact CG2-CG2 3.73Å; T181-H210 PolarHBondContact O-ND1 2.79Å; T181-A234 VanDerWaalsContact OG1-CB 3.28Å; T181-A234 WeakPolarHBondContact OG1-CB 3.5Å; T181-D235 WeakPolarHBondContact CG2-OD1 3.42Å
182	S	98.5	Very high	96.2	Very high	30 Å²	30	39.2 Å²	39.2	21%	0.21	19%	0.19	C	C	.	.			trans	-59	145.3	173.6	68.6	0	0	0	0	111.2	Q184 T185 C186 D235	S182-Q184 PolarHBondContact O-N 3.24Å; S182-T185 PolarHBondContact O-N 2.66Å; S182-T185 WeakPolarHBondContact OG-CB 3.27Å; S182-T185 PolarHBondContact OG-N 3.14Å; S182-T185 PolarHBondContact OG-OG1 2.75Å; S182-T185 VanDerWaalsContact OG-OG1 3.07Å; S182-C186 PolarHBondContact O-N 3.15Å; S182-D235 WeakPolarHBondContact CB-OD1 3.38Å; S182-D235 PolarHBondContact N-OD1 3.21Å; S182-D235 PolarHBondContact N-OD2 3.32Å; S182-D235 PolarHBondContact OG-OD1 3.18Å
183	P	98.4	Very high	96.1	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-54.5	-36.4	174.6	-27.8	36.6	0	0	0	113.1	C186 Y187 L203 L206 E207 H210	P183-C186 WeakPolarHBondContact O-CB 3.5Å; P183-C186 PolarHBondContact O-N 3.02Å; P183-Y187 VanDerWaalsContact O-CB 3.32Å; P183-Y187 WeakPolarHBondContact O-CB 3.26Å; P183-Y187 PolarHBondContact O-N 3.22Å; P183-L203 HydrophobicContact CB-CD1 3.88Å; P183-L203 WeakPolarHBondContact O-CD1 3.32Å; P183-L206 HydrophobicContact CB-CB 4.29Å; P183-E207 HydrophobicContact CB-CB 4.36Å; P183-E207 HydrophobicContact CB-CG 3.53Å; P183-E207 HydrophobicContact CG-CB 4.3Å; P183-E207 HydrophobicContact CG-CG 3.79Å; P183-H210 HydrophobicContact CG-CB 3.73Å
184	Q	98.2	Very high	95.5	Very high	85 Å²	85	44.9 Å²	44.9	40%	0.397	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-50.1	180	-67.6	71.2	25.7	0	0	111.1	S182 C186 Y187 E188 E207	S182-Q184 PolarHBondContact O-N 3.24Å; Q184-C186 VanDerWaalsContact C-N 3.32Å; Q184-C186 PolarHBondContact O-N 2.98Å; Q184-Y187 WeakPolarHBondContact O-CB 3.33Å; Q184-Y187 PolarHBondContact O-N 3.17Å; Q184-Y187 VanDerWaalsContact O-N 3.13Å; Q184-E188 WeakPolarHBondContact O-CG 3.46Å; Q184-E188 PolarHBondContact O-N 2.78Å; Q184-E207 PolarHBondContact NE2-OE1 2.83Å
185	T	97.9	Very high	95	Very high	24 Å²	24	44.9 Å²	44.9	15%	0.147	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-38.4	175.7	-62.8	0	0	0	0	111.7	T181 S182 Y187 E188 R189 D235	T181-T185 HydrophobicContact CG2-CG2 3.73Å; S182-T185 PolarHBondContact O-N 2.66Å; S182-T185 WeakPolarHBondContact OG-CB 3.27Å; S182-T185 PolarHBondContact OG-N 3.14Å; S182-T185 PolarHBondContact OG-OG1 2.75Å; S182-T185 VanDerWaalsContact OG-OG1 3.07Å; T185-Y187 VanDerWaalsContact C-N 3.33Å; T185-Y187 PolarHBondContact O-N 2.7Å; T185-E188 PolarHBondContact O-N 3.37Å; T185-R189 HydrophobicContact CG2-CG 4.41Å; T185-R189 VanDerWaalsContact CG2-CZ 3.44Å; T185-R189 WeakPolarHBondContact O-CB 3.15Å; T185-R189 VanDerWaalsContact O-CG 3.27Å; T185-R189 WeakPolarHBondContact O-CG 3.17Å; T185-R189 PolarHBondContact O-N 3.3Å; T185-D235 WeakPolarHBondContact CB-OD1 3.28Å; T185-D235 PolarHBondContact OG1-OD1 3.36Å
186	C	97.7	Very high	94.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-43.8	171.8	-83.2	0	0	0	0	112.1	I56 A57 S182 P183 Q184 R189 L190 L206	I56-C186 WeakPolarHBondContact O-CB 3.45Å; I56-C186 PolarHBondContact O-SG 3.2Å; A57-C186 WeakPolarHBondContact CB-O 3.14Å; S182-C186 PolarHBondContact O-N 3.15Å; P183-C186 WeakPolarHBondContact O-CB 3.5Å; P183-C186 PolarHBondContact O-N 3.02Å; Q184-C186 VanDerWaalsContact C-N 3.32Å; Q184-C186 PolarHBondContact O-N 2.98Å; C186-R189 PolarHBondContact O-N 2.8Å; C186-L190 WeakPolarHBondContact O-CB 3.49Å; C186-L190 PolarHBondContact O-N 3.47Å; C186-L206 HydrophobicContact CB-CD1 4.17Å
187	Y	96.6	Very high	93.8	Very high	65 Å²	65	52.4 Å²	52.4	26%	0.255	25%	0.247	S	C	.	.	H	α-helix	trans	-65.2	-43.2	179.9	-173.2	-117.5	0	0	0	112.2	P183 Q184 T185 L190 K191 I201 L203 L206	P183-Y187 VanDerWaalsContact O-CB 3.32Å; P183-Y187 WeakPolarHBondContact O-CB 3.26Å; P183-Y187 PolarHBondContact O-N 3.22Å; Q184-Y187 WeakPolarHBondContact O-CB 3.33Å; Q184-Y187 PolarHBondContact O-N 3.17Å; Q184-Y187 VanDerWaalsContact O-N 3.13Å; T185-Y187 VanDerWaalsContact C-N 3.33Å; T185-Y187 PolarHBondContact O-N 2.7Å; Y187-L190 PolarHBondContact O-N 3.4Å; Y187-K191 HydrophobicContact CE1-CD 4.24Å; Y187-K191 WeakPolarHBondContact O-CG 3.38Å; Y187-K191 PolarHBondContact O-N 3.17Å; Y187-K191 WeakPolarHBondContact OH-CE 3.38Å; Y187-K191 PolarHBondContact OH-NZ 3.21Å; Y187-K191 VanDerWaalsContact OH-NZ 3.07Å; Y187-I201 WeakPolarHBondContact CE2-O 3.47Å; Y187-L203 HydrophobicContact CD2-CB 4.32Å; Y187-L203 HydrophobicContact CG-CB 4.33Å; Y187-L203 HydrophobicContact CG-CD1 4.2Å; Y187-L206 HydrophobicContact CD2-CD1 3.93Å; Y187-L206 HydrophobicContact CG-CD1 4.33Å
188	E	95.6	Very high	93.2	Very high	116 Å²	116	52.8 Å²	52.8	54%	0.542	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-48.1	174.6	-70.9	171.2	-179.2	0	0	111.7	Q184 T185 L190 K191 Q192	Q184-E188 WeakPolarHBondContact O-CG 3.46Å; Q184-E188 PolarHBondContact O-N 2.78Å; T185-E188 PolarHBondContact O-N 3.37Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 2.88Å; E188-K191 PolarHBondContact O-N 3.42Å; E188-Q192 WeakPolarHBondContact O-CG 3.27Å; E188-Q192 PolarHBondContact O-N 2.83Å
189	R	95.4	Very high	92.4	Very high	52 Å²	52	57.8 Å²	57.8	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-36.5	177.3	-71.3	173.7	179.8	167.9	3.5	112.3	A57 S58 T185 C186 Q192 R193 A234 Y236	A57-R189 HydrophobicContact CB-CB 3.95Å; A57-R189 VanDerWaalsContact O-CD 3.25Å; A57-R189 WeakPolarHBondContact O-CD 3.39Å; S58-R189 PolarHBondContact O-NH1 3.15Å; T185-R189 HydrophobicContact CG2-CG 4.41Å; T185-R189 VanDerWaalsContact CG2-CZ 3.44Å; T185-R189 WeakPolarHBondContact O-CB 3.15Å; T185-R189 VanDerWaalsContact O-CG 3.27Å; T185-R189 WeakPolarHBondContact O-CG 3.17Å; T185-R189 PolarHBondContact O-N 3.3Å; C186-R189 PolarHBondContact O-N 2.8Å; R189-Q192 PolarHBondContact O-N 2.63Å; R189-R193 WeakPolarHBondContact O-CB 3.4Å; R189-R193 PolarHBondContact O-N 3.46Å; R189-A234 VanDerWaalsContact CZ-O 3.29Å; R189-A234 PolarHBondContact NH1-O 3.45Å; R189-A234 PolarHBondContact NH2-O 3.37Å; R189-Y236 PolarHBondContact NH2-O 3.39Å
190	L	93.4	Very high	91.8	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-45.1	175.8	-177.7	156.4	0	0	0	110.6	I56 A57 C186 Y187 E188 R193 C194 E198 I201 L206	I56-L190 HydrophobicContact CG2-CD1 3.83Å; A57-L190 HydrophobicContact CB-CB 3.87Å; C186-L190 WeakPolarHBondContact O-CB 3.49Å; C186-L190 PolarHBondContact O-N 3.47Å; Y187-L190 PolarHBondContact O-N 3.4Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 2.88Å; L190-R193 PolarHBondContact O-N 2.96Å; L190-C194 PolarHBondContact O-N 3.14Å; L190-E198 HydrophobicContact CD2-CB 4.44Å; L190-E198 HydrophobicContact CG-CB 4.45Å; L190-I201 HydrophobicContact CD1-CB 4.19Å; L190-I201 HydrophobicContact CD1-CD1 4.11Å; L190-I201 HydrophobicContact CD1-CG2 4.24Å; L190-L206 HydrophobicContact CD1-CD1 4.24Å; L190-L206 HydrophobicContact CD1-CD2 4.33Å
191	K	91.5	Very high	91.5	Very high	100 Å²	100	60.3 Å²	60.3	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-42	174.3	-74.3	-176	176.5	177	0	112.4	Y187 E188 R193 C194	Y187-K191 HydrophobicContact CE1-CD 4.24Å; Y187-K191 WeakPolarHBondContact O-CG 3.38Å; Y187-K191 PolarHBondContact O-N 3.17Å; Y187-K191 WeakPolarHBondContact OH-CE 3.38Å; Y187-K191 PolarHBondContact OH-NZ 3.21Å; Y187-K191 VanDerWaalsContact OH-NZ 3.07Å; E188-K191 PolarHBondContact O-N 3.42Å; K191-R193 VanDerWaalsContact C-N 3.31Å; K191-R193 PolarHBondContact O-N 3.47Å; K191-C194 PolarHBondContact O-N 3.13Å; K191-C194 PolarHBondContact O-SG 2.83Å
192	Q	90.8	Very high	91.3	Very high	153 Å²	153	63.2 Å²	63.2	72%	0.715	31%	0.311	S	S	*	.	H	α-helix	trans	-66.2	-33.4	177.6	-69.5	171.6	-1.4	0	0	112.8	E188 R189 C194	E188-Q192 WeakPolarHBondContact O-CG 3.27Å; E188-Q192 PolarHBondContact O-N 2.83Å; R189-Q192 PolarHBondContact O-N 2.63Å; Q192-C194 PolarHBondContact O-N 2.83Å
193	R	87.5	Confident	91.2	Very high	91 Å²	91	63.7 Å²	63.7	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-68.3	-22.9	178.2	-176.2	166	76.2	170.5	-5.6	112.9	R189 L190 K191 R195 E198	R189-R193 WeakPolarHBondContact O-CB 3.4Å; R189-R193 PolarHBondContact O-N 3.46Å; L190-R193 PolarHBondContact O-N 2.96Å; K191-R193 VanDerWaalsContact C-N 3.31Å; K191-R193 PolarHBondContact O-N 3.47Å; R193-R195 VanDerWaalsContact C-N 3.25Å; R193-R195 PolarHBondContact O-N 3.44Å; R193-R195 VanDerWaalsContact O-N 3.12Å; R193-E198 IonicContact CZ-OE1 3.72Å; R193-E198 IonicContact CZ-OE2 3.22Å; R193-E198 IonicContact NE-OE2 3.18Å; R193-E198 PolarHBondContact NE-OE2 3.31Å; R193-E198 IonicContact NH2-OE1 2.84Å; R193-E198 PolarHBondContact NH2-OE1 3.29Å; R193-E198 IonicContact NH2-OE2 2.59Å; R193-E198 PolarHBondContact NH2-OE2 2.78Å
194	C	81.4	Confident	91.2	Very high	85 Å²	85	69.1 Å²	69.1	57%	0.574	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	37.5	173.9	-65.2	0	0	0	0	114.7	L190 K191 Q192 E196	L190-C194 PolarHBondContact O-N 3.14Å; K191-C194 PolarHBondContact O-N 3.13Å; K191-C194 PolarHBondContact O-SG 2.83Å; Q192-C194 PolarHBondContact O-N 2.83Å; C194-E196 PolarHBondContact O-N 3.43Å
195	R	84.8	Confident	91.1	Very high	56 Å²	56	66.4 Å²	66.4	21%	0.211	32%	0.322	C	S	.	.			trans	-79	116.7	173.9	-176	178	-59.2	164.5	-9.7	108.8	R193 E197 E198 M199	R193-R195 VanDerWaalsContact C-N 3.25Å; R193-R195 PolarHBondContact O-N 3.44Å; R193-R195 VanDerWaalsContact O-N 3.12Å; R195-E197 VanDerWaalsContact C-N 3.27Å; R195-E197 WeakPolarHBondContact CG-OE2 3.37Å; R195-E197 PolarHBondContact O-N 3.38Å; R195-E197 VanDerWaalsContact O-N 3.13Å; R195-E198 HydrophobicContact CB-CB 4.33Å; R195-E198 HydrophobicContact CB-CG 4.31Å; R195-E198 WeakPolarHBondContact CD-OE1 3.48Å; R195-E198 HydrophobicContact CG-CG 4.29Å; R195-E198 IonicContact CZ-OE1 3.59Å; R195-E198 IonicContact NE-OE1 3.81Å; R195-E198 IonicContact NH1-OE1 2.75Å; R195-E198 PolarHBondContact NH1-OE1 2.85Å; R195-E198 PolarHBondContact O-N 2.83Å; R195-M199 PolarHBondContact O-N 3.48Å
196	E	85.6	Confident	91.1	Very high	160 Å²	160	65.3 Å²	65.3	75%	0.748	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-47.6	-45.9	-172.8	-68.3	177.7	-178.7	0	0	113.6	C194 E198 M199	C194-E196 PolarHBondContact O-N 3.43Å; E196-E198 PolarHBondContact O-N 3.38Å; E196-M199 PolarHBondContact O-N 3.4Å
197	E	84.4	Confident	91.1	Very high	14 Å²	14	69 Å²	69	7%	0.065	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-67.8	-22.6	-177.3	-56	88	164.3	0	0	113.5	R84 N90 A93 Y96 R195	R84-E197 IonicContact CZ-OE1 3.16Å; R84-E197 IonicContact CZ-OE2 3.49Å; R84-E197 IonicContact NE-OE1 2.73Å; R84-E197 PolarHBondContact NE-OE1 2.99Å; R84-E197 IonicContact NE-OE2 3.44Å; R84-E197 PolarHBondContact NE-OE2 3.22Å; R84-E197 IonicContact NH2-OE1 2.77Å; R84-E197 PolarHBondContact NH2-OE1 2.89Å; R84-E197 IonicContact NH2-OE2 3.14Å; R84-E197 PolarHBondContact NH2-OE2 3.07Å; R84-E197 VanDerWaalsContact NH2-OE2 3.14Å; N90-E197 PolarHBondContact ND2-OE1 2.81Å; A93-E197 HydrophobicContact CB-CB 4.4Å; A93-E197 HydrophobicContact CB-CG 3.63Å; Y96-E197 HydrophobicContact CD2-CB 4.23Å; Y96-E197 WeakPolarHBondContact CD2-O 3.44Å; R195-E197 VanDerWaalsContact C-N 3.27Å; R195-E197 WeakPolarHBondContact CG-OE2 3.37Å; R195-E197 PolarHBondContact O-N 3.38Å; R195-E197 VanDerWaalsContact O-N 3.13Å
198	E	85.1	Confident	91.2	Very high	8 Å²	8	69.5 Å²	69.5	4%	0.037	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-97.4	-11.5	-174.5	-65	175	174.6	0	0	112.6	Y96 L190 R193 R195 E196 V200 I201	Y96-E198 HydrophobicContact CE2-CG 4.22Å; L190-E198 HydrophobicContact CD2-CB 4.44Å; L190-E198 HydrophobicContact CG-CB 4.45Å; R193-E198 IonicContact CZ-OE1 3.72Å; R193-E198 IonicContact CZ-OE2 3.22Å; R193-E198 IonicContact NE-OE2 3.18Å; R193-E198 PolarHBondContact NE-OE2 3.31Å; R193-E198 IonicContact NH2-OE1 2.84Å; R193-E198 PolarHBondContact NH2-OE1 3.29Å; R193-E198 IonicContact NH2-OE2 2.59Å; R193-E198 PolarHBondContact NH2-OE2 2.78Å; R195-E198 HydrophobicContact CB-CB 4.33Å; R195-E198 HydrophobicContact CB-CG 4.31Å; R195-E198 WeakPolarHBondContact CD-OE1 3.48Å; R195-E198 HydrophobicContact CG-CG 4.29Å; R195-E198 IonicContact CZ-OE1 3.59Å; R195-E198 IonicContact NE-OE1 3.81Å; R195-E198 IonicContact NH1-OE1 2.75Å; R195-E198 PolarHBondContact NH1-OE1 2.85Å; R195-E198 PolarHBondContact O-N 2.83Å; E196-E198 PolarHBondContact O-N 3.38Å; E198-V200 PolarHBondContact O-N 2.72Å; E198-V200 VanDerWaalsContact O-N 3.08Å; E198-I201 HydrophobicContact CB-CD1 3.73Å; E198-I201 HydrophobicContact CB-CG1 4.48Å; E198-I201 HydrophobicContact CG-CD1 3.91Å; E198-I201 VanDerWaalsContact O-CB 3.28Å; E198-I201 WeakPolarHBondContact O-CB 3.38Å; E198-I201 VanDerWaalsContact O-CG1 3.26Å; E198-I201 WeakPolarHBondContact O-CG1 3.41Å; E198-I201 PolarHBondContact O-N 2.88Å
199	M	81.6	Confident	91.3	Very high	107 Å²	107	64 Å²	64	53%	0.527	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.9	-178.8	-67.3	-59.8	-68	0	0	113.4	R195 E196 I201	R195-M199 PolarHBondContact O-N 3.48Å; E196-M199 PolarHBondContact O-N 3.4Å; M199-I201 VanDerWaalsContact C-N 3.32Å
200	V	87.3	Confident	91.5	Very high	99 Å²	99	63.2 Å²	63.2	60%	0.6	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.1	178	-59.2	0	0	0	0	113.4	Y96 E198 P202	Y96-V200 HydrophobicContact CG-CG2 4.38Å; E198-V200 PolarHBondContact O-N 2.72Å; E198-V200 VanDerWaalsContact O-N 3.08Å; V200-P202 VanDerWaalsContact O-CD 3.29Å; V200-P202 WeakPolarHBondContact O-CD 3.43Å
201	I	91.5	Very high	91.7	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	33%	0.325	C	S	.	.			trans	-75.3	117.7	-176.2	-61.9	172.8	0	0	0	109.5	I56 Y96 Y187 L190 E198 M199 Y205 L206	I56-I201 HydrophobicContact CD1-CD1 4.22Å; Y96-I201 HydrophobicContact CD1-CD1 4.28Å; Y96-I201 HydrophobicContact CD1-CG1 3.96Å; Y96-I201 HydrophobicContact CE1-CD1 3.47Å; Y96-I201 VanDerWaalsContact CE1-CD1 3.47Å; Y96-I201 HydrophobicContact CE1-CG1 3.56Å; Y96-I201 HydrophobicContact CE2-CD1 4.12Å; Y96-I201 VanDerWaalsContact OH-CD1 3.3Å; Y96-I201 WeakPolarHBondContact OH-CD1 3.5Å; Y187-I201 WeakPolarHBondContact CE2-O 3.47Å; L190-I201 HydrophobicContact CD1-CB 4.19Å; L190-I201 HydrophobicContact CD1-CD1 4.11Å; L190-I201 HydrophobicContact CD1-CG2 4.24Å; E198-I201 HydrophobicContact CB-CD1 3.73Å; E198-I201 HydrophobicContact CB-CG1 4.48Å; E198-I201 HydrophobicContact CG-CD1 3.91Å; E198-I201 VanDerWaalsContact O-CB 3.28Å; E198-I201 WeakPolarHBondContact O-CB 3.38Å; E198-I201 VanDerWaalsContact O-CG1 3.26Å; E198-I201 WeakPolarHBondContact O-CG1 3.41Å; E198-I201 PolarHBondContact O-N 2.88Å; M199-I201 VanDerWaalsContact C-N 3.32Å; I201-Y205 HydrophobicContact CG2-CD1 3.53Å; I201-Y205 HydrophobicContact CG2-CE1 4.28Å; I201-Y205 HydrophobicContact CG2-CG 4.03Å; I201-L206 HydrophobicContact CG2-CD2 4.1Å; I201-L206 HydrophobicContact CG2-CG 4.15Å
202	P	94.7	Very high	92.1	Very high	62 Å²	62	62.2 Å²	62.2	40%	0.403	31%	0.305	S	S	.	.			trans	-81.4	163.1	179.2	36.8	-37.5	0	0	0	111.4	V200 E204 Y205	V200-P202 VanDerWaalsContact O-CD 3.29Å; V200-P202 WeakPolarHBondContact O-CD 3.43Å; P202-E204 VanDerWaalsContact C-N 3.28Å; P202-E204 WeakPolarHBondContact CB-OE2 3.27Å; P202-E204 PolarHBondContact O-N 3.49Å; P202-Y205 WeakPolarHBondContact O-CB 3.41Å; P202-Y205 PolarHBondContact O-N 3.24Å
203	L	96.4	Very high	92.5	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.209	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-40.1	-179.9	173.7	62	0	0	0	111.3	P183 Y187 Y205 L206 E207	P183-L203 HydrophobicContact CB-CD1 3.88Å; P183-L203 WeakPolarHBondContact O-CD1 3.32Å; Y187-L203 HydrophobicContact CD2-CB 4.32Å; Y187-L203 HydrophobicContact CG-CB 4.33Å; Y187-L203 HydrophobicContact CG-CD1 4.2Å; L203-Y205 PolarHBondContact O-N 3.11Å; L203-L206 CarbonylContact O-C 3.5Å; L203-L206 WeakPolarHBondContact O-CA 3.25Å; L203-L206 WeakPolarHBondContact O-CB 3.31Å; L203-L206 PolarHBondContact O-N 3.4Å; L203-E207 HydrophobicContact CD1-CG 4.36Å; L203-E207 HydrophobicContact CG-CG 4.27Å; L203-E207 PolarHBondContact O-N 2.91Å
204	E	97.2	Very high	93	Very high	126 Å²	126	51.9 Å²	51.9	59%	0.589	26%	0.261	S	S	*	.	H	α-helix	trans	-58.8	-33.4	-179.8	-61.6	78.8	-177.4	0	0	111.5	P202 E207 F208	P202-E204 VanDerWaalsContact C-N 3.28Å; P202-E204 WeakPolarHBondContact CB-OE2 3.27Å; P202-E204 PolarHBondContact O-N 3.49Å; E204-E207 PolarHBondContact O-N 3.46Å; E204-F208 WeakPolarHBondContact O-CB 3.4Å; E204-F208 PolarHBondContact O-N 3.38Å
205	Y	96.7	Very high	93.8	Very high	29 Å²	29	49 Å²	49	11%	0.114	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-43.2	173.2	-179.1	-85.4	0	0	0	111.1	I56 N143 I201 P202 L203 F208 I209	I56-Y205 HydrophobicContact CD1-CD1 4.48Å; I56-Y205 HydrophobicContact CD1-CE1 3.77Å; N143-Y205 WeakPolarHBondContact ND2-CE2 3.36Å; N143-Y205 VanDerWaalsContact ND2-CZ 3.35Å; N143-Y205 PolarHBondContact ND2-OH 3.22Å; N143-Y205 VanDerWaalsContact ND2-OH 3.14Å; I201-Y205 HydrophobicContact CG2-CD1 3.53Å; I201-Y205 HydrophobicContact CG2-CE1 4.28Å; I201-Y205 HydrophobicContact CG2-CG 4.03Å; P202-Y205 WeakPolarHBondContact O-CB 3.41Å; P202-Y205 PolarHBondContact O-N 3.24Å; L203-Y205 PolarHBondContact O-N 3.11Å; Y205-F208 PolarHBondContact O-N 3.32Å; Y205-I209 HydrophobicContact CD1-CG1 3.95Å; Y205-I209 HydrophobicContact CE1-CD1 4.12Å; Y205-I209 HydrophobicContact CE1-CG1 3.59Å; Y205-I209 VanDerWaalsContact O-CG1 3.27Å; Y205-I209 WeakPolarHBondContact O-CG1 3.42Å; Y205-I209 PolarHBondContact O-N 2.92Å
206	L	97.9	Very high	94.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-35.5	177.7	-61.7	176.1	0	0	0	112	N55 I56 P183 C186 Y187 L190 I201 L203 I209 H210	N55-L206 PolarHBondContact ND2-O 3.37Å; I56-L206 HydrophobicContact CB-CD2 3.87Å; I56-L206 HydrophobicContact CD1-CD2 4.19Å; I56-L206 HydrophobicContact CG1-CD2 4.47Å; P183-L206 HydrophobicContact CB-CB 4.29Å; C186-L206 HydrophobicContact CB-CD1 4.17Å; Y187-L206 HydrophobicContact CD2-CD1 3.93Å; Y187-L206 HydrophobicContact CG-CD1 4.33Å; L190-L206 HydrophobicContact CD1-CD1 4.24Å; L190-L206 HydrophobicContact CD1-CD2 4.33Å; I201-L206 HydrophobicContact CG2-CD2 4.1Å; I201-L206 HydrophobicContact CG2-CG 4.15Å; L203-L206 CarbonylContact O-C 3.5Å; L203-L206 WeakPolarHBondContact O-CA 3.25Å; L203-L206 WeakPolarHBondContact O-CB 3.31Å; L203-L206 PolarHBondContact O-N 3.4Å; L206-I209 PolarHBondContact O-N 2.82Å; L206-H210 VanDerWaalsContact O-CB 3.29Å; L206-H210 WeakPolarHBondContact O-CB 3.35Å; L206-H210 PolarHBondContact O-N 2.87Å
207	E	98.5	Very high	95	Very high	78 Å²	78	39.3 Å²	39.3	36%	0.364	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-44.2	173.2	-69.7	175.6	158.4	0	0	111.2	P183 Q184 L203 E204 H210 Q211	P183-E207 HydrophobicContact CB-CB 4.36Å; P183-E207 HydrophobicContact CB-CG 3.53Å; P183-E207 HydrophobicContact CG-CB 4.3Å; P183-E207 HydrophobicContact CG-CG 3.79Å; Q184-E207 PolarHBondContact NE2-OE1 2.83Å; L203-E207 HydrophobicContact CD1-CG 4.36Å; L203-E207 HydrophobicContact CG-CG 4.27Å; L203-E207 PolarHBondContact O-N 2.91Å; E204-E207 PolarHBondContact O-N 3.46Å; E207-H210 WeakPolarHBondContact O-CB 3.25Å; E207-H210 PolarHBondContact O-N 3.23Å; E207-Q211 PolarHBondContact O-N 2.84Å
208	F	98.1	Very high	95.7	Very high	76 Å²	76	42.3 Å²	42.3	33%	0.333	21%	0.213	S	C	.	.	H	α-helix	trans	-67	-42.7	177.7	-165	-112	0	0	0	112.4	N143 R146 E204 Y205 H210 Q211 L212	N143-F208 HydrophobicContact CB-CE1 4.47Å; N143-F208 WeakPolarHBondContact OD1-CD1 3.3Å; N143-F208 WeakPolarHBondContact OD1-CE1 3.48Å; R146-F208 HydrophobicContact CB-CE1 4.06Å; R146-F208 HydrophobicContact CB-CZ 3.71Å; E204-F208 WeakPolarHBondContact O-CB 3.4Å; E204-F208 PolarHBondContact O-N 3.38Å; Y205-F208 PolarHBondContact O-N 3.32Å; F208-H210 VanDerWaalsContact C-N 3.29Å; F208-H210 PolarHBondContact O-N 2.85Å; F208-Q211 PolarHBondContact O-N 2.75Å; F208-L212 HydrophobicContact CD1-CD1 4.21Å; F208-L212 HydrophobicContact CE1-CD1 4.1Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 3.07Å; F208-L212 VanDerWaalsContact O-N 3.08Å
209	I	98.4	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-39.2	173	-66	-68.6	0	0	0	111.2	N55 I139 F140 N143 Y205 L206 L212 H213	N55-I209 WeakPolarHBondContact OD1-CG2 3.28Å; I139-I209 HydrophobicContact CG2-CD1 3.92Å; I139-I209 HydrophobicContact CG2-CG2 3.89Å; F140-I209 HydrophobicContact CD1-CD1 4.23Å; F140-I209 HydrophobicContact CE1-CD1 4.21Å; N143-I209 HydrophobicContact CB-CD1 3.8Å; Y205-I209 HydrophobicContact CD1-CG1 3.95Å; Y205-I209 HydrophobicContact CE1-CD1 4.12Å; Y205-I209 HydrophobicContact CE1-CG1 3.59Å; Y205-I209 VanDerWaalsContact O-CG1 3.27Å; Y205-I209 WeakPolarHBondContact O-CG1 3.42Å; Y205-I209 PolarHBondContact O-N 2.92Å; L206-I209 PolarHBondContact O-N 2.82Å; I209-L212 PolarHBondContact O-N 3.03Å; I209-H213 VanDerWaalsContact CG2-CE1 3.5Å; I209-H213 WeakPolarHBondContact CG2-CE1 3.45Å; I209-H213 PolarHBondContact O-N 3.36Å; I209-H213 VanDerWaalsContact O-N 3.16Å; I209-H213 PolarHBondContact O-ND1 2.93Å
210	H	98.6	Very high	96.7	Very high	36 Å²	36	44.6 Å²	44.6	17%	0.167	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-48.1	175.6	177.4	91.5	0	0	0	110.5	T181 P183 L206 E207 F208 L212 H213 E214	T181-H210 PolarHBondContact O-ND1 2.79Å; P183-H210 HydrophobicContact CG-CB 3.73Å; L206-H210 VanDerWaalsContact O-CB 3.29Å; L206-H210 WeakPolarHBondContact O-CB 3.35Å; L206-H210 PolarHBondContact O-N 2.87Å; E207-H210 WeakPolarHBondContact O-CB 3.25Å; E207-H210 PolarHBondContact O-N 3.23Å; F208-H210 VanDerWaalsContact C-N 3.29Å; F208-H210 PolarHBondContact O-N 2.85Å; H210-L212 VanDerWaalsContact C-N 3.28Å; H210-L212 PolarHBondContact O-N 3.27Å; H210-H213 PolarHBondContact O-N 3.28Å; H210-E214 WeakPolarHBondContact O-CG 3.33Å; H210-E214 PolarHBondContact O-N 3.31Å
211	Q	98.6	Very high	97	Very high	78 Å²	78	44.7 Å²	44.7	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-39.3	178.6	-167.9	56.3	62.3	0	0	112.6	E207 F208 H213 E214 D215	E207-Q211 PolarHBondContact O-N 2.84Å; F208-Q211 PolarHBondContact O-N 2.75Å; Q211-H213 VanDerWaalsContact C-N 3.34Å; Q211-H213 PolarHBondContact O-N 2.59Å; Q211-E214 PolarHBondContact O-N 3.18Å; Q211-D215 PolarHBondContact NE2-OD1 2.86Å; Q211-D215 WeakPolarHBondContact O-CB 3.18Å; Q211-D215 PolarHBondContact O-N 3.12Å
212	L	98.6	Very high	97	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-37.2	175.5	-67.7	173.5	0	0	0	112.7	I139 E142 N143 F208 I209 H210 W216	I139-L212 VanDerWaalsContact CD1-C 3.44Å; I139-L212 HydrophobicContact CD1-CB 3.74Å; I139-L212 WeakPolarHBondContact CD1-O 3.47Å; I139-L212 HydrophobicContact CG2-CB 4.45Å; I139-L212 WeakPolarHBondContact O-CD1 3.3Å; E142-L212 HydrophobicContact CG-CD2 4.07Å; N143-L212 HydrophobicContact CB-CD1 3.66Å; F208-L212 HydrophobicContact CD1-CD1 4.21Å; F208-L212 HydrophobicContact CE1-CD1 4.1Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 3.07Å; F208-L212 VanDerWaalsContact O-N 3.08Å; I209-L212 PolarHBondContact O-N 3.03Å; H210-L212 VanDerWaalsContact C-N 3.28Å; H210-L212 PolarHBondContact O-N 3.27Å; L212-W216 VanDerWaalsContact O-CB 3.3Å; L212-W216 WeakPolarHBondContact O-CB 3.27Å; L212-W216 PolarHBondContact O-N 3.32Å; L212-W216 VanDerWaalsContact O-N 3.13Å
213	H	98.7	Very high	96.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-42.7	173.9	-72.3	81.5	0	0	0	111.3	G54 I139 Y178 I209 H210 Q211 W216 L217	G54-H213 PolarHBondContact O-NE2 3.47Å; I139-H213 HydrophobicContact CD1-CB 4.4Å; Y178-H213 HydrophobicContact CE2-CB 3.9Å; Y178-H213 AromaticContact CE2-CD2 3.95Å; Y178-H213 WeakPolarHBondContact OH-CB 3.35Å; I209-H213 VanDerWaalsContact CG2-CE1 3.5Å; I209-H213 WeakPolarHBondContact CG2-CE1 3.45Å; I209-H213 PolarHBondContact O-N 3.36Å; I209-H213 VanDerWaalsContact O-N 3.16Å; I209-H213 PolarHBondContact O-ND1 2.93Å; H210-H213 PolarHBondContact O-N 3.28Å; Q211-H213 VanDerWaalsContact C-N 3.34Å; Q211-H213 PolarHBondContact O-N 2.59Å; H213-W216 PolarHBondContact O-N 3.45Å; H213-L217 WeakPolarHBondContact O-CB 3.39Å; H213-L217 PolarHBondContact O-N 3.49Å
214	E	98.5	Very high	96.8	Very high	28 Å²	28	47.9 Å²	47.9	13%	0.131	26%	0.26	C	S	.	.	I	π-helix	trans	-61.4	-45	177.1	-68.4	-63.5	112.1	0	0	111.5	Y178 Q180 H210 Q211 W216 I218 K219	Y178-E214 WeakPolarHBondContact CE1-OE1 3.23Å; Y178-E214 PolarHBondContact OH-OE1 3.04Å; Y178-E214 VanDerWaalsContact OH-OE1 3.09Å; Q180-E214 VanDerWaalsContact NE2-CD 3.33Å; Q180-E214 PolarHBondContact NE2-OE1 3.41Å; Q180-E214 PolarHBondContact NE2-OE2 3.45Å; H210-E214 WeakPolarHBondContact O-CG 3.33Å; H210-E214 PolarHBondContact O-N 3.31Å; Q211-E214 PolarHBondContact O-N 3.18Å; E214-W216 VanDerWaalsContact C-N 3.27Å; E214-W216 PolarHBondContact O-N 3.38Å; E214-I218 WeakPolarHBondContact O-CB 3.29Å; E214-I218 PolarHBondContact O-N 3.25Å; E214-I218 VanDerWaalsContact O-N 3.14Å; E214-K219 PolarHBondContact O-N 2.89Å
215	D	98.4	Very high	96.7	Very high	25 Å²	25	44.2 Å²	44.2	13%	0.134	25%	0.246	C	C	.	.	I	π-helix	trans	-66	-31.5	-180	-69.1	-12.3	0	0	0	112.4	Q211 K219 G220 T221 S222	Q211-D215 PolarHBondContact NE2-OD1 2.86Å; Q211-D215 WeakPolarHBondContact O-CB 3.18Å; Q211-D215 PolarHBondContact O-N 3.12Å; D215-K219 WeakPolarHBondContact OD1-CD 3.3Å; D215-K219 WeakPolarHBondContact OD1-CE 3.26Å; D215-K219 IonicContact OD1-NZ 3.73Å; D215-K219 PolarHBondContact OD1-NZ 3.45Å; D215-G220 PolarHBondContact O-N 3.43Å; D215-T221 PolarHBondContact O-N 2.95Å; D215-T221 PolarHBondContact O-OG1 3.39Å; D215-T221 VanDerWaalsContact O-OG1 3.12Å; D215-S222 PolarHBondContact O-N 3.25Å; D215-S222 PolarHBondContact O-OG 3.41Å
216	W	98.4	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-83.8	-58.9	178.7	-179.7	35.6	0	0	0	112.9	E53 F134 H138 I139 L212 H213 E214 S222 P224 V225	E53-W216 HydrophobicContact CG-CZ3 4.44Å; F134-W216 HydrophobicContact CB-CH2 3.75Å; F134-W216 HydrophobicContact CB-CZ2 3.61Å; H138-W216 HydrophobicContact CB-CD2 4.23Å; H138-W216 HydrophobicContact CB-CG 4.42Å; H138-W216 AromaticContact CD2-NE1 3.99Å; I139-W216 HydrophobicContact CD1-CE3 3.86Å; I139-W216 HydrophobicContact CG1-CE3 4.02Å; I139-W216 HydrophobicContact CG1-CZ3 4.25Å; L212-W216 VanDerWaalsContact O-CB 3.3Å; L212-W216 WeakPolarHBondContact O-CB 3.27Å; L212-W216 PolarHBondContact O-N 3.32Å; L212-W216 VanDerWaalsContact O-N 3.13Å; H213-W216 PolarHBondContact O-N 3.45Å; E214-W216 VanDerWaalsContact C-N 3.27Å; E214-W216 PolarHBondContact O-N 3.38Å; W216-S222 WeakPolarHBondContact CA-OG 3.46Å; W216-S222 WeakPolarHBondContact CB-OG 3.48Å; W216-S222 PolarHBondContact N-OG 2.95Å; W216-P224 PolarHBondContact NE1-O 3.24Å; W216-V225 WeakPolarHBondContact O-CG2 3.36Å
217	L	98.3	Very high	96.4	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.058	26%	0.262	C	S	.	.	I	π-helix	trans	-89.3	-23.3	-166	-62.4	177	0	0	0	113.7	E53 I176 Y178 H213 V225 V229	E53-L217 HydrophobicContact CB-CD1 3.92Å; E53-L217 HydrophobicContact CG-CD1 4.49Å; I176-L217 HydrophobicContact CD1-CD2 4.12Å; I176-L217 HydrophobicContact CG2-CD1 4.42Å; I176-L217 HydrophobicContact CG2-CD2 4.11Å; Y178-L217 HydrophobicContact CD1-CB 4.27Å; Y178-L217 HydrophobicContact CD1-CD1 4.19Å; Y178-L217 HydrophobicContact CD2-CD1 3.71Å; Y178-L217 HydrophobicContact CE2-CD1 4.24Å; Y178-L217 HydrophobicContact CG-CD1 3.69Å; H213-L217 WeakPolarHBondContact O-CB 3.39Å; H213-L217 PolarHBondContact O-N 3.49Å; L217-V225 HydrophobicContact CD2-CG1 4.23Å; L217-V229 HydrophobicContact CB-CG1 4.39Å; L217-V229 HydrophobicContact CD2-CG2 4.25Å
218	I	97.8	Very high	96.3	Very high	78 Å²	78	46.7 Å²	46.7	40%	0.4	27%	0.273	S	S	.	.	I	π-helix	trans	-106	-56.6	-177.6	-54.8	-57.9	0	0	0	110.7	Y178 E214 V231	Y178-I218 HydrophobicContact CD1-CD1 3.93Å; Y178-I218 HydrophobicContact CD1-CG1 4.38Å; Y178-I218 HydrophobicContact CE1-CD1 4.11Å; Y178-I218 HydrophobicContact CE1-CG1 4.1Å; E214-I218 WeakPolarHBondContact O-CB 3.29Å; E214-I218 PolarHBondContact O-N 3.25Å; E214-I218 VanDerWaalsContact O-N 3.14Å; I218-V231 HydrophobicContact CD1-CG1 4.41Å; I218-V231 HydrophobicContact CD1-CG2 3.48Å; I218-V231 VanDerWaalsContact CD1-CG2 3.48Å
219	K	96.1	Very high	96.3	Very high	115 Å²	115	45.2 Å²	45.2	50%	0.5	27%	0.271	S	S	.	.	S	Bend	trans	-80.8	-25.3	-175	-56.1	179.5	-166.8	162.4	0	112.9	E214 D215 T221	E214-K219 PolarHBondContact O-N 2.89Å; D215-K219 WeakPolarHBondContact OD1-CD 3.3Å; D215-K219 WeakPolarHBondContact OD1-CE 3.26Å; D215-K219 IonicContact OD1-NZ 3.73Å; D215-K219 PolarHBondContact OD1-NZ 3.45Å; K219-T221 HydrophobicContact CB-CG2 3.8Å; K219-T221 PolarHBondContact O-N 3.42Å
220	G	92.8	Very high	96.2	Very high	48 Å²	48	46.7 Å²	46.7	50%	0.495	28%	0.278	S	S	.	.			trans	63.3	27.8	-175.4	0	0	0	0	0	113.4	D215	D215-G220 PolarHBondContact O-N 3.43Å
221	T	92	Very high	96.2	Very high	100 Å²	100	47.3 Å²	47.3	61%	0.613	29%	0.285	S	S	*	.			trans	-95.8	-20	-173.1	51.5	0	0	0	0	114	D215 K219	D215-T221 PolarHBondContact O-N 2.95Å; D215-T221 PolarHBondContact O-OG1 3.39Å; D215-T221 VanDerWaalsContact O-OG1 3.12Å; K219-T221 HydrophobicContact CB-CG2 3.8Å; K219-T221 PolarHBondContact O-N 3.42Å
222	S	92	Very high	96.2	Very high	46 Å²	46	43.6 Å²	43.6	32%	0.322	27%	0.267	S	S	.	.	S	Bend	trans	-96.6	-40.4	-175.7	62.4	0	0	0	0	114.1	D215 W216	D215-S222 PolarHBondContact O-N 3.25Å; D215-S222 PolarHBondContact O-OG 3.41Å; W216-S222 WeakPolarHBondContact CA-OG 3.46Å; W216-S222 WeakPolarHBondContact CB-OG 3.48Å; W216-S222 PolarHBondContact N-OG 2.95Å
223	A	93.2	Very high	96.2	Very high	15 Å²	15	46.1 Å²	46.1	12%	0.124	28%	0.284	C	S	.	.	S	Bend	trans	-160.8	160.2	-178.3	0	0	0	0	0	111.5	H138	H138-A223 HydrophobicContact CB-CB 4.5Å; H138-A223 VanDerWaalsContact CE1-CB 3.46Å; H138-A223 WeakPolarHBondContact CE1-CB 3.48Å; H138-A223 VanDerWaalsContact ND1-CB 3.33Å; H138-A223 WeakPolarHBondContact ND1-CB 3.28Å
224	P	93.2	Very high	96.1	Very high	113 Å²	113	46.1 Å²	46.1	73%	0.734	28%	0.284	S	S	*	.			trans	-57.7	140	171.8	-23.1	34.1	0	0	0	112	W216	W216-P224 PolarHBondContact NE1-O 3.24Å
225	V	95.4	Very high	96	Very high	50 Å²	50	48 Å²	48	30%	0.303	30%	0.295	S	S	.	.			trans	-94.2	124.9	173.8	-170	0	0	0	0	108.5	I176 W216 L217 A227 V229	I176-V225 HydrophobicContact CD1-CG1 3.64Å; W216-V225 WeakPolarHBondContact O-CG2 3.36Å; L217-V225 HydrophobicContact CD2-CG1 4.23Å; V225-A227 VanDerWaalsContact C-N 3.26Å; V225-A227 VanDerWaalsContact CG1-O 3.22Å; V225-A227 WeakPolarHBondContact CG1-O 3.15Å; V225-A227 PolarHBondContact O-N 3.02Å; V225-V229 HydrophobicContact CG1-CG2 3.66Å
226	P	93.8	Very high	96	Very high	51 Å²	51	50.8 Å²	50.8	33%	0.331	30%	0.304	S	S	.	.	S	Bend	trans	-75.4	-11.6	-171.4	30.3	-36.9	0	0	0	114.2	F134 I176	F134-P226 HydrophobicContact CD1-CB 4.43Å; F134-P226 HydrophobicContact CD1-CG 4.13Å; F134-P226 HydrophobicContact CD2-CG 3.89Å; F134-P226 HydrophobicContact CE1-CB 4.07Å; F134-P226 HydrophobicContact CE1-CG 4.23Å; F134-P226 HydrophobicContact CE2-CB 4.18Å; F134-P226 HydrophobicContact CE2-CG 4Å; F134-P226 HydrophobicContact CG-CG 3.98Å; F134-P226 HydrophobicContact CZ-CB 3.94Å; F134-P226 HydrophobicContact CZ-CG 4.17Å; I176-P226 HydrophobicContact CD1-CG 3.98Å
227	A	95.3	Very high	95.8	Very high	13 Å²	13	55.6 Å²	55.6	11%	0.107	33%	0.33	C	S	.	.	S	Bend	trans	-155.3	163.9	-176.6	0	0	0	0	0	111.3	V173 I176 V225	V173-A227 HydrophobicContact CB-CB 4.21Å; V173-A227 HydrophobicContact CG1-CB 3.78Å; V173-A227 WeakPolarHBondContact O-CB 3.46Å; I176-A227 HydrophobicContact CG1-CB 4.35Å; V225-A227 VanDerWaalsContact C-N 3.26Å; V225-A227 VanDerWaalsContact CG1-O 3.22Å; V225-A227 WeakPolarHBondContact CG1-O 3.15Å; V225-A227 PolarHBondContact O-N 3.02Å
228	P	96.3	Very high	95.6	Very high	94 Å²	94	60 Å²	60	61%	0.61	35%	0.353	S	S	*	.			trans	-54.4	146.2	168.9	-24.8	34.8	0	0	0	112.4	I176	I176-P228 PolarHBondContact N-O 3.31Å
229	V	97.6	Very high	95.5	Very high	45 Å²	45	63.7 Å²	63.7	27%	0.273	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.1	-179.3	-173.7	0	0	0	0	110	I176 L217 V225 V231	I176-V229 HydrophobicContact CB-CG2 4.28Å; I176-V229 HydrophobicContact CG2-CG1 4.34Å; I176-V229 CarbonylContact O-C 3.6Å; I176-V229 WeakPolarHBondContact O-CA 3.12Å; L217-V229 HydrophobicContact CB-CG1 4.39Å; L217-V229 HydrophobicContact CD2-CG2 4.25Å; V225-V229 HydrophobicContact CG1-CG2 3.66Å; V229-V231 HydrophobicContact CG1-CG2 4.01Å
230	L	97.8	Very high	95.5	Very high	31 Å²	31	62.6 Å²	62.6	16%	0.162	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	112.3	165.3	175.6	64.3	0	0	0	108.8	L175 I176 V177 Y178 I232 H248 K251 I252	L175-L230 HydrophobicContact CD1-CB 4.09Å; I176-L230 PolarHBondContact O-N 3.36Å; V177-L230 CarbonylContact C-O 3.56Å; V177-L230 WeakPolarHBondContact CA-O 3.44Å; V177-L230 HydrophobicContact CG2-CD2 4.48Å; Y178-L230 PolarHBondContact N-O 2.82Å; L230-I232 HydrophobicContact CD2-CD1 4.43Å; L230-I232 HydrophobicContact CG-CG1 4.31Å; L230-H248 HydrophobicContact CD2-CB 4.36Å; L230-K251 HydrophobicContact CD2-CB 4.41Å; L230-I252 HydrophobicContact CD2-CD1 4.33Å; L230-I252 HydrophobicContact CD2-CG1 3.58Å
231	V	98.1	Very high	95.7	Very high	50 Å²	50	60.7 Å²	60.7	30%	0.303	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.4	178.5	-172.1	0	0	0	0	109.8	Y178 Q180 I218 V229	Y178-V231 HydrophobicContact CD1-CG1 4.24Å; Y178-V231 HydrophobicContact CD1-CG2 4.41Å; Q180-V231 HydrophobicContact CB-CG1 3.86Å; I218-V231 HydrophobicContact CD1-CG1 4.41Å; I218-V231 HydrophobicContact CD1-CG2 3.48Å; I218-V231 VanDerWaalsContact CD1-CG2 3.48Å; V229-V231 HydrophobicContact CG1-CG2 4.01Å
232	I	98	Very high	95.9	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.1	174.3	-57.5	-179.3	0	0	0	108	V177 Y178 L179 Q180 L230 A234 M241 K244 H248 I252	V177-I232 HydrophobicContact CG1-CD1 3.77Å; V177-I232 HydrophobicContact CG1-CG1 4.34Å; Y178-I232 PolarHBondContact O-N 3.06Å; L179-I232 HydrophobicContact CD2-CB 4.08Å; L179-I232 HydrophobicContact CD2-CD1 4.44Å; L179-I232 HydrophobicContact CD2-CG2 4.43Å; Q180-I232 PolarHBondContact N-O 2.94Å; L230-I232 HydrophobicContact CD2-CD1 4.43Å; L230-I232 HydrophobicContact CG-CG1 4.31Å; I232-A234 PolarHBondContact O-N 2.93Å; I232-M241 HydrophobicContact CG2-CE 4.35Å; I232-K244 HydrophobicContact CG2-CB 4.33Å; I232-H248 HydrophobicContact CD1-CB 4.12Å; I232-I252 HydrophobicContact CD1-CD1 4.24Å
233	P	97.8	Very high	96.1	Very high	55 Å²	55	63.9 Å²	63.9	36%	0.357	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	124.1	170.8	-23.1	33.8	0	0	0	110.3	Y236	P233-Y236 HydrophobicContact CB-CE2 4.22Å
234	A	97.3	Very high	96.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.35	C	S	.	.			trans	-126.2	21.4	-164.6	0	0	0	0	0	114.2	L179 Q180 T181 R189 I232 Y236 M241	L179-A234 HydrophobicContact CB-CB 4.04Å; Q180-A234 PolarHBondContact O-N 3.46Å; T181-A234 VanDerWaalsContact OG1-CB 3.28Å; T181-A234 WeakPolarHBondContact OG1-CB 3.5Å; R189-A234 VanDerWaalsContact CZ-O 3.29Å; R189-A234 PolarHBondContact NH1-O 3.45Å; R189-A234 PolarHBondContact NH2-O 3.37Å; I232-A234 PolarHBondContact O-N 2.93Å; A234-Y236 VanDerWaalsContact C-N 3.26Å; A234-Y236 PolarHBondContact O-N 2.96Å; A234-M241 VanDerWaalsContact CA-SD 3.58Å; A234-M241 HydrophobicContact CB-CE 3.66Å; A234-M241 HydrophobicContact CB-SD 4.13Å
235	D	97.6	Very high	96.3	Very high	67 Å²	67	60.3 Å²	60.3	36%	0.358	32%	0.316	S	S	.	.			trans	-79.4	-3.6	175.2	-67.3	-66.3	0	0	0	114.1	T181 S182 T185	T181-D235 WeakPolarHBondContact CG2-OD1 3.42Å; S182-D235 WeakPolarHBondContact CB-OD1 3.38Å; S182-D235 PolarHBondContact N-OD1 3.21Å; S182-D235 PolarHBondContact N-OD2 3.32Å; S182-D235 PolarHBondContact OG-OD1 3.18Å; T185-D235 WeakPolarHBondContact CB-OD1 3.28Å; T185-D235 PolarHBondContact OG1-OD1 3.36Å
236	Y	96.4	Very high	96.3	Very high	84 Å²	84	62.9 Å²	62.9	33%	0.329	33%	0.325	S	S	.	.	S	Bend	trans	-79.7	165.8	-176.1	-52.1	-59.8	0	0	0	113.7	R189 P233 A234 K240 M241	R189-Y236 PolarHBondContact NH2-O 3.39Å; P233-Y236 HydrophobicContact CB-CE2 4.22Å; A234-Y236 VanDerWaalsContact C-N 3.26Å; A234-Y236 PolarHBondContact O-N 2.96Å; Y236-K240 HydrophobicContact CD1-CD 3.58Å; Y236-K240 HydrophobicContact CD1-CG 4.33Å; Y236-K240 VanDerWaalsContact CD1-NZ 3.33Å; Y236-K240 HydrophobicContact CD2-CD 4.19Å; Y236-K240 HydrophobicContact CD2-CG 4.12Å; Y236-K240 HydrophobicContact CE1-CD 4.22Å; Y236-K240 VanDerWaalsContact CE1-CE 3.5Å; Y236-K240 HydrophobicContact CG-CB 4.45Å; Y236-K240 HydrophobicContact CG-CD 3.56Å; Y236-K240 HydrophobicContact CG-CG 3.8Å; Y236-M241 HydrophobicContact CD2-SD 4.07Å
237	D	94.8	Very high	96.3	Very high	101 Å²	101	66.1 Å²	66.1	54%	0.54	34%	0.336	S	S	.	.			trans	-64.4	169.3	168.8	65.5	55.1	0	0	0	112.5	Q239 K240 M241	D237-Q239 PolarHBondContact O-N 2.99Å; D237-Q239 PolarHBondContact OD1-N 3.19Å; D237-K240 PolarHBondContact O-N 3.23Å; D237-K240 WeakPolarHBondContact OD1-CB 3.35Å; D237-K240 PolarHBondContact OD1-N 3.5Å; D237-M241 WeakPolarHBondContact O-CB 3.5Å; D237-M241 VanDerWaalsContact O-CG 3.27Å; D237-M241 WeakPolarHBondContact O-CG 3.13Å; D237-M241 PolarHBondContact O-N 3.48Å
238	L	94.1	Very high	96.2	Very high	104 Å²	104	66.5 Å²	66.5	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-58.1	-44.7	-177.3	-179.1	60	0	0	0	112.7	T62 K240 M241 L242	T62-L238 HydrophobicContact CG2-CD1 3.55Å; L238-K240 VanDerWaalsContact C-N 3.33Å; L238-K240 PolarHBondContact O-N 3.37Å; L238-M241 PolarHBondContact O-N 2.91Å; L238-L242 HydrophobicContact CD1-CD2 4.32Å; L238-L242 HydrophobicContact CD1-CG 4.23Å; L238-L242 HydrophobicContact CG-CD1 4.4Å; L238-L242 HydrophobicContact CG-CG 4.41Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.18Å; L238-L242 PolarHBondContact O-N 3.09Å
239	Q	96.1	Very high	96	Very high	155 Å²	155	64.6 Å²	64.6	72%	0.724	32%	0.316	S	S	*	.	H	α-helix	trans	-62.8	-42.7	-176	-72.5	-175.4	-19.6	0	0	111.5	D237 L242 H243	D237-Q239 PolarHBondContact O-N 2.99Å; D237-Q239 PolarHBondContact OD1-N 3.19Å; Q239-L242 PolarHBondContact O-N 3.3Å; Q239-H243 PolarHBondContact O-N 3.16Å
240	K	96.3	Very high	95.6	Very high	93 Å²	93	70.3 Å²	70.3	40%	0.404	34%	0.339	S	S	.	.	H	α-helix	trans	-70.6	-34.7	176.5	-176	164.9	176.8	-175.8	0	112	Y236 D237 L238 H243 K244	Y236-K240 HydrophobicContact CD1-CD 3.58Å; Y236-K240 HydrophobicContact CD1-CG 4.33Å; Y236-K240 VanDerWaalsContact CD1-NZ 3.33Å; Y236-K240 HydrophobicContact CD2-CD 4.19Å; Y236-K240 HydrophobicContact CD2-CG 4.12Å; Y236-K240 HydrophobicContact CE1-CD 4.22Å; Y236-K240 VanDerWaalsContact CE1-CE 3.5Å; Y236-K240 HydrophobicContact CG-CB 4.45Å; Y236-K240 HydrophobicContact CG-CD 3.56Å; Y236-K240 HydrophobicContact CG-CG 3.8Å; D237-K240 PolarHBondContact O-N 3.23Å; D237-K240 WeakPolarHBondContact OD1-CB 3.35Å; D237-K240 PolarHBondContact OD1-N 3.5Å; L238-K240 VanDerWaalsContact C-N 3.33Å; L238-K240 PolarHBondContact O-N 3.37Å; K240-H243 WeakPolarHBondContact O-CB 3.46Å; K240-H243 PolarHBondContact O-N 3.11Å; K240-K244 WeakPolarHBondContact O-CG 3.36Å; K240-K244 PolarHBondContact O-N 2.87Å
241	M	97	Very high	95.1	Very high	7 Å²	7	75.2 Å²	75.2	3%	0.034	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-41.7	172.4	-73	-50.9	-60.6	0	0	112.4	I232 A234 Y236 D237 L238 H243 K244 Y245	I232-M241 HydrophobicContact CG2-CE 4.35Å; A234-M241 VanDerWaalsContact CA-SD 3.58Å; A234-M241 HydrophobicContact CB-CE 3.66Å; A234-M241 HydrophobicContact CB-SD 4.13Å; Y236-M241 HydrophobicContact CD2-SD 4.07Å; D237-M241 WeakPolarHBondContact O-CB 3.5Å; D237-M241 VanDerWaalsContact O-CG 3.27Å; D237-M241 WeakPolarHBondContact O-CG 3.13Å; D237-M241 PolarHBondContact O-N 3.48Å; L238-M241 PolarHBondContact O-N 2.91Å; M241-H243 VanDerWaalsContact C-N 3.31Å; M241-H243 PolarHBondContact O-N 3.41Å; M241-K244 WeakPolarHBondContact O-CB 3.46Å; M241-K244 PolarHBondContact O-N 3.26Å; M241-K244 VanDerWaalsContact O-N 3.1Å; M241-Y245 HydrophobicContact CB-CE2 4.17Å; M241-Y245 HydrophobicContact CE-CD1 4.41Å; M241-Y245 HydrophobicContact CE-CE1 3.45Å; M241-Y245 VanDerWaalsContact CE-CE1 3.45Å; M241-Y245 WeakPolarHBondContact CE-OH 3.29Å; M241-Y245 WeakPolarHBondContact O-CD2 3.33Å; M241-Y245 PolarHBondContact O-N 3.33Å
242	L	95.8	Very high	94.5	Very high	66 Å²	66	72.9 Å²	72.9	35%	0.346	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-40.7	175.6	-65.3	178.2	0	0	0	111.9	Y66 L238 Q239 Y245 E246	Y66-L242 HydrophobicContact CD2-CD2 3.57Å; Y66-L242 HydrophobicContact CE2-CD2 4.2Å; Y66-L242 HydrophobicContact CG-CD2 4.28Å; L238-L242 HydrophobicContact CD1-CD2 4.32Å; L238-L242 HydrophobicContact CD1-CG 4.23Å; L238-L242 HydrophobicContact CG-CD1 4.4Å; L238-L242 HydrophobicContact CG-CG 4.41Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.18Å; L238-L242 PolarHBondContact O-N 3.09Å; Q239-L242 PolarHBondContact O-N 3.3Å; L242-Y245 HydrophobicContact CD2-CD2 4.23Å; L242-Y245 PolarHBondContact O-N 3.12Å; L242-E246 PolarHBondContact O-N 3.32Å; L242-E246 VanDerWaalsContact O-N 3.1Å
243	H	96.1	Very high	93.8	Very high	148 Å²	148	74.7 Å²	74.7	69%	0.685	36%	0.355	S	S	*	.	H	α-helix	trans	-61.5	-42.7	172.4	-94	80.6	0	0	0	112.2	Q239 K240 M241 Y245 E246 E247	Q239-H243 PolarHBondContact O-N 3.16Å; K240-H243 WeakPolarHBondContact O-CB 3.46Å; K240-H243 PolarHBondContact O-N 3.11Å; M241-H243 VanDerWaalsContact C-N 3.31Å; M241-H243 PolarHBondContact O-N 3.41Å; H243-Y245 VanDerWaalsContact C-N 3.34Å; H243-Y245 PolarHBondContact O-N 3.07Å; H243-E246 PolarHBondContact O-N 2.92Å; H243-E247 WeakPolarHBondContact O-CB 3.34Å; H243-E247 PolarHBondContact O-N 3.04Å
244	K	96	Very high	92.7	Very high	48 Å²	48	74.7 Å²	74.7	21%	0.209	36%	0.359	C	S	.	.	H	α-helix	trans	-62.7	-40.9	176.5	-74.8	-74.3	168.7	-158.5	0	111.9	I232 K240 M241 E246 E247 H248	I232-K244 HydrophobicContact CG2-CB 4.33Å; K240-K244 WeakPolarHBondContact O-CG 3.36Å; K240-K244 PolarHBondContact O-N 2.87Å; M241-K244 WeakPolarHBondContact O-CB 3.46Å; M241-K244 PolarHBondContact O-N 3.26Å; M241-K244 VanDerWaalsContact O-N 3.1Å; K244-E246 VanDerWaalsContact C-N 3.33Å; K244-E246 PolarHBondContact O-N 2.9Å; K244-E247 WeakPolarHBondContact CD-OE2 3.46Å; K244-E247 IonicContact NZ-OE1 3.41Å; K244-E247 IonicContact NZ-OE2 2.79Å; K244-E247 PolarHBondContact NZ-OE2 3.43Å; K244-E247 PolarHBondContact O-N 2.97Å; K244-H248 PolarHBondContact O-CD2 3.29Å; K244-H248 PolarHBondContact O-N 3.08Å
245	Y	95.3	Very high	90.9	Very high	4 Å²	4	75.7 Å²	75.7	2%	0.016	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-39.1	176.8	-56.5	-31.3	0	0	0	112.3	C63 Y66 L179 M241 L242 H243 H248 R249	C63-Y245 HydrophobicContact CB-CE1 3.98Å; C63-Y245 HydrophobicContact CB-CE2 4.16Å; Y66-Y245 AromaticContact CD1-CD2 3.97Å; Y66-Y245 HydrophobicContact CD1-CD2 3.97Å; Y66-Y245 HydrophobicContact CD1-CG 4.12Å; Y66-Y245 HydrophobicContact CD2-CD2 4.39Å; Y66-Y245 HydrophobicContact CE1-CG 4.41Å; Y66-Y245 AromaticContact CG-CD2 3.86Å; Y66-Y245 HydrophobicContact CG-CD2 3.86Å; Y66-Y245 HydrophobicContact CG-CG 4.46Å; L179-Y245 HydrophobicContact CD2-CE1 4.16Å; M241-Y245 HydrophobicContact CB-CE2 4.17Å; M241-Y245 HydrophobicContact CE-CD1 4.41Å; M241-Y245 HydrophobicContact CE-CE1 3.45Å; M241-Y245 VanDerWaalsContact CE-CE1 3.45Å; M241-Y245 WeakPolarHBondContact CE-OH 3.29Å; M241-Y245 WeakPolarHBondContact O-CD2 3.33Å; M241-Y245 PolarHBondContact O-N 3.33Å; L242-Y245 HydrophobicContact CD2-CD2 4.23Å; L242-Y245 PolarHBondContact O-N 3.12Å; H243-Y245 VanDerWaalsContact C-N 3.34Å; H243-Y245 PolarHBondContact O-N 3.07Å; Y245-H248 PolarHBondContact O-N 2.89Å; Y245-R249 WeakPolarHBondContact O-CA 3.36Å; Y245-R249 PolarHBondContact O-N 3.23Å
246	E	94.6	Very high	88.9	Confident	104 Å²	104	74.7 Å²	74.7	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-67.3	-45.2	174.6	-171.1	59.9	-148.8	0	0	111.5	Y66 L242 H243 K244 H248 R249	Y66-E246 WeakPolarHBondContact OH-CA 3.38Å; Y66-E246 WeakPolarHBondContact OH-CB 3.44Å; Y66-E246 PolarHBondContact OH-N 3.39Å; Y66-E246 PolarHBondContact OH-OE2 2.98Å; L242-E246 PolarHBondContact O-N 3.32Å; L242-E246 VanDerWaalsContact O-N 3.1Å; H243-E246 PolarHBondContact O-N 2.92Å; K244-E246 VanDerWaalsContact C-N 3.33Å; K244-E246 PolarHBondContact O-N 2.9Å; E246-H248 PolarHBondContact O-N 3.05Å; E246-R249 WeakPolarHBondContact O-CB 3.18Å; E246-R249 PolarHBondContact O-N 3.18Å; E246-R249 IonicContact OE1-NE 2.84Å; E246-R249 IonicContact OE2-CZ 3.21Å; E246-R249 IonicContact OE2-NE 2.65Å; E246-R249 PolarHBondContact OE2-NE 3.08Å; E246-R249 IonicContact OE2-NH2 2.92Å; E246-R249 PolarHBondContact OE2-NH2 2.82Å
247	E	94.6	Very high	86.3	Confident	120 Å²	120	77.6 Å²	77.6	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-55.2	-37.1	176.2	-175.2	-171.8	165.8	0	0	112.1	H243 K244	H243-E247 WeakPolarHBondContact O-CB 3.34Å; H243-E247 PolarHBondContact O-N 3.04Å; K244-E247 WeakPolarHBondContact CD-OE2 3.46Å; K244-E247 IonicContact NZ-OE1 3.41Å; K244-E247 IonicContact NZ-OE2 2.79Å; K244-E247 PolarHBondContact NZ-OE2 3.43Å; K244-E247 PolarHBondContact O-N 2.97Å
248	H	93.4	Very high	83.6	Confident	20 Å²	20	80.9 Å²	80.9	9%	0.093	42%	0.416	C	S	.	.	H	α-helix	trans	-94.8	-1.9	-179.9	-69	-71.7	0	0	0	114.1	L230 I232 K244 Y245 E246 E250 K251 I252	L230-H248 HydrophobicContact CD2-CB 4.36Å; I232-H248 HydrophobicContact CD1-CB 4.12Å; K244-H248 PolarHBondContact O-CD2 3.29Å; K244-H248 PolarHBondContact O-N 3.08Å; Y245-H248 PolarHBondContact O-N 2.89Å; E246-H248 PolarHBondContact O-N 3.05Å; H248-E250 PolarHBondContact O-N 3.32Å; H248-K251 PolarHBondContact O-N 3.15Å; H248-K251 VanDerWaalsContact O-N 3.08Å; H248-I252 HydrophobicContact CB-CD1 3.98Å; H248-I252 HydrophobicContact CB-CG1 4.38Å; H248-I252 WeakPolarHBondContact O-CG1 3.49Å; H248-I252 PolarHBondContact O-N 3.01Å
249	R	92.1	Very high	83.1	Confident	55 Å²	55	79.8 Å²	79.8	21%	0.208	41%	0.41	C	S	.	.	H	α-helix	trans	-52.7	-51.6	-174.2	174.1	-177.5	-76.3	-86.9	-2	111.7	Y66 F67 T70 Y245 E246 K251 I252 L253	Y66-R249 PolarHBondContact OH-NH2 3.22Å; F67-R249 HydrophobicContact CE1-CB 4.39Å; F67-R249 HydrophobicContact CE1-CG 4.24Å; T70-R249 PolarHBondContact OG1-NH1 3.15Å; Y245-R249 WeakPolarHBondContact O-CA 3.36Å; Y245-R249 PolarHBondContact O-N 3.23Å; E246-R249 WeakPolarHBondContact O-CB 3.18Å; E246-R249 PolarHBondContact O-N 3.18Å; E246-R249 IonicContact OE1-NE 2.84Å; E246-R249 IonicContact OE2-CZ 3.21Å; E246-R249 IonicContact OE2-NE 2.65Å; E246-R249 PolarHBondContact OE2-NE 3.08Å; E246-R249 IonicContact OE2-NH2 2.92Å; E246-R249 PolarHBondContact OE2-NH2 2.82Å; R249-K251 VanDerWaalsContact C-N 3.33Å; R249-K251 PolarHBondContact O-N 3.36Å; R249-I252 PolarHBondContact O-N 2.74Å; R249-L253 HydrophobicContact CG-CD1 3.85Å; R249-L253 HydrophobicContact CG-CG 4.48Å; R249-L253 WeakPolarHBondContact O-CB 3.42Å; R249-L253 VanDerWaalsContact O-CG 3.28Å; R249-L253 WeakPolarHBondContact O-CG 3.17Å; R249-L253 PolarHBondContact O-N 3.13Å
250	E	88.1	Confident	82.4	Confident	164 Å²	164	75.8 Å²	75.8	77%	0.766	39%	0.393	S	S	*	.	H	α-helix	trans	-62.1	-40.8	-179.1	-67.9	-171.8	168	0	0	112	H248 L253 A254	H248-E250 PolarHBondContact O-N 3.32Å; E250-L253 CarbonylContact O-C 3.55Å; E250-L253 PolarHBondContact O-N 3.14Å; E250-A254 WeakPolarHBondContact O-CA 3.48Å; E250-A254 WeakPolarHBondContact O-CB 3.49Å; E250-A254 PolarHBondContact O-N 3.44Å
251	K	87.6	Confident	81.7	Confident	135 Å²	135	74.8 Å²	74.8	59%	0.587	39%	0.393	S	S	*	.	H	α-helix	trans	-66.5	-41.1	178.4	-66.9	178.6	-178.6	172.6	0	112	L230 H248 R249 L253	L230-K251 HydrophobicContact CD2-CB 4.41Å; H248-K251 PolarHBondContact O-N 3.15Å; H248-K251 VanDerWaalsContact O-N 3.08Å; R249-K251 VanDerWaalsContact C-N 3.33Å; R249-K251 PolarHBondContact O-N 3.36Å; K251-L253 VanDerWaalsContact C-N 3.31Å
252	I	85.7	Confident	80.8	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-62.9	-41.6	176.8	-68.4	168.2	0	0	0	109.9	I50 F67 M128 V177 L230 I232 H248 R249	I50-I252 HydrophobicContact CD1-CG2 3.81Å; I50-I252 WeakPolarHBondContact CD1-O 3.36Å; F67-I252 HydrophobicContact CE2-CD1 3.89Å; F67-I252 HydrophobicContact CZ-CD1 3.64Å; F67-I252 HydrophobicContact CZ-CG2 4.4Å; M128-I252 HydrophobicContact CE-CG2 3.65Å; V177-I252 HydrophobicContact CG2-CD1 4.45Å; V177-I252 HydrophobicContact CG2-CG1 4.05Å; L230-I252 HydrophobicContact CD2-CD1 4.33Å; L230-I252 HydrophobicContact CD2-CG1 3.58Å; I232-I252 HydrophobicContact CD1-CD1 4.24Å; H248-I252 HydrophobicContact CB-CD1 3.98Å; H248-I252 HydrophobicContact CB-CG1 4.38Å; H248-I252 WeakPolarHBondContact O-CG1 3.49Å; H248-I252 PolarHBondContact O-N 3.01Å; R249-I252 PolarHBondContact O-N 2.74Å
253	L	83.4	Confident	79.8	Confident	39 Å²	39	79.6 Å²	79.6	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-88.4	-18.7	-177.5	-57.8	-179	0	0	0	114.2	I73 R249 E250 K251 A255 T256	I73-L253 HydrophobicContact CD1-CD2 3.5Å; I73-L253 HydrophobicContact CG1-CD2 4.15Å; R249-L253 HydrophobicContact CG-CD1 3.85Å; R249-L253 HydrophobicContact CG-CG 4.48Å; R249-L253 WeakPolarHBondContact O-CB 3.42Å; R249-L253 VanDerWaalsContact O-CG 3.28Å; R249-L253 WeakPolarHBondContact O-CG 3.17Å; R249-L253 PolarHBondContact O-N 3.13Å; E250-L253 CarbonylContact O-C 3.55Å; E250-L253 PolarHBondContact O-N 3.14Å; K251-L253 VanDerWaalsContact C-N 3.31Å; L253-A255 VanDerWaalsContact C-N 3.28Å; L253-A255 PolarHBondContact O-N 2.77Å; L253-T256 VanDerWaalsContact O-CB 3.26Å; L253-T256 WeakPolarHBondContact O-CB 3.09Å; L253-T256 WeakPolarHBondContact O-CG2 3.44Å; L253-T256 PolarHBondContact O-N 2.73Å; L253-T256 PolarHBondContact O-OG1 3.44Å
254	A	73.6	Confident	78.7	Confident	54 Å²	54	75.1 Å²	75.1	45%	0.446	40%	0.4	S	S	.	.	H	α-helix	trans	-74.7	-18.9	178.8	0	0	0	0	0	112.9	E250 T256 N257	E250-A254 WeakPolarHBondContact O-CA 3.48Å; E250-A254 WeakPolarHBondContact O-CB 3.49Å; E250-A254 PolarHBondContact O-N 3.44Å; A254-T256 PolarHBondContact O-N 3.39Å; A254-N257 PolarHBondContact O-N 2.78Å
255	A	60.9	Low	77.5	Confident	21 Å²	21	77 Å²	77	17%	0.174	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-2.4	168	0	0	0	0	0	113.4	T48 L175 L253	T48-A255 HydrophobicContact CG2-CB 4.37Å; T48-A255 WeakPolarHBondContact CG2-O 3.43Å; L175-A255 HydrophobicContact CB-CB 4Å; L175-A255 HydrophobicContact CD2-CB 4.16Å; L253-A255 VanDerWaalsContact C-N 3.28Å; L253-A255 PolarHBondContact O-N 2.77Å
256	T	54.8	Low	76.1	Confident	47 Å²	47	82.6 Å²	82.6	29%	0.288	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.7	177.8	64.5	0	0	0	0	116.1	T48 V126 L253 A254	T48-T256 HydrophobicContact CG2-CG2 3.67Å; T48-T256 WeakPolarHBondContact OG1-CA 3.37Å; T48-T256 WeakPolarHBondContact OG1-CB 3.21Å; T48-T256 WeakPolarHBondContact OG1-CG2 3.39Å; V126-T256 HydrophobicContact CB-CG2 4.47Å; V126-T256 HydrophobicContact CG1-CG2 4.41Å; V126-T256 HydrophobicContact CG2-CG2 3.36Å; L253-T256 VanDerWaalsContact O-CB 3.26Å; L253-T256 WeakPolarHBondContact O-CB 3.09Å; L253-T256 WeakPolarHBondContact O-CG2 3.44Å; L253-T256 PolarHBondContact O-N 2.73Å; L253-T256 PolarHBondContact O-OG1 3.44Å; A254-T256 PolarHBondContact O-N 3.39Å
257	N	41.8	Very low	74.6	Confident	144 Å²	144	80.8 Å²	80.8	77%	0.77	44%	0.441	S	S	*	.			trans	-116	12.2	-170.2	-73.3	-30.5	0	0	0	114.7	A254	A254-N257 PolarHBondContact O-N 2.78Å
258	S	39.3	Very low	72.8	Confident	171 Å²	171	77.3 Å²	77.3	100%	1.196	43%	0.43	S	S	*	.			trans	-109.6	0	179.6	-53.3	0	0	0	0	112.4

Retrieved 258 of 258 residues in 66.8 ms (Link to these results)

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