E2EAJ1_SCHMA Loading...

GDP-mannose 4,6-dehydratase

AlphaFold DB , UniProt , Accession E2EAJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene GMD, Length 363 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	35.8	Very low	46.3	Very low	243 Å²	243	121.5 Å²	121.5	100%	1.197	71%	0.707	S	S	*	*				0	113.1	0	-79.6	176.7	175.8	0	0	107.2
2	N	33.5	Very low	49.4	Very low	154 Å²	154	125.4 Å²	125.4	82%	0.824	71%	0.709	S	S	*	*			trans	-71.1	136.4	-170.8	-68.6	-20	0	0	0	111.1
3	N	43.1	Very low	52.7	Low	165 Å²	165	118.2 Å²	118.2	88%	0.882	66%	0.664	S	S	*	*			trans	-149.5	77.3	146.5	-123.4	3.7	0	0	0	107.7	G5	N3-G5 PolarHBondContact O-N 2.87Å; N3-G5 VanDerWaalsContact O-N 3.12Å
4	N	50.1	Low	55.9	Low	146 Å²	146	115.4 Å²	115.4	78%	0.781	64%	0.64	S	S	*	*			trans	-68.5	103.4	161.2	-77.1	-16.3	0	0	0	105.9	V6	N4-V6 VanDerWaalsContact C-N 3.3Å; N4-V6 PolarHBondContact O-N 3.12Å
5	G	44.4	Very low	58.7	Low	28 Å²	28	109.1 Å²	109.1	29%	0.289	61%	0.606	S	S	.	*			trans	-62.5	91.7	173.1	0	0	0	0	0	109.8	N3 S7	N3-G5 PolarHBondContact O-N 2.87Å; N3-G5 VanDerWaalsContact O-N 3.12Å; G5-S7 PolarHBondContact O-N 3.23Å
6	V	43.3	Very low	61.3	Low	113 Å²	113	102.3 Å²	102.3	69%	0.685	57%	0.568	S	S	*	*	B	Isolated β-bridge	trans	-75.3	111.5	165.9	179	0	0	0	0	105.9	N4	N4-V6 VanDerWaalsContact C-N 3.3Å; N4-V6 PolarHBondContact O-N 3.12Å
7	S	47	Very low	63.5	Low	10 Å²	10	96.2 Å²	96.2	7%	0.07	54%	0.535	C	S	.	.			trans	-65.8	155.3	170.8	76.4	0	0	0	0	109.8	G5 D9 G10 L11	G5-S7 PolarHBondContact O-N 3.23Å; S7-D9 PolarHBondContact O-N 3.11Å; S7-G10 PolarHBondContact O-N 3.2Å; S7-L11 PolarHBondContact OG-O 3.32Å
8	C	46.2	Very low	65.4	Low	139 Å²	139	90.9 Å²	90.9	94%	0.939	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-5.1	-176.3	-68.6	0	0	0	0	114.9
9	D	48.4	Very low	67.2	Low	140 Å²	140	86.1 Å²	86.1	75%	0.749	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	13.3	177.9	-67.8	-21.8	0	0	0	114.2	S7 L11	S7-D9 PolarHBondContact O-N 3.11Å; D9-L11 PolarHBondContact O-N 2.73Å
10	G	51.2	Low	68.7	Low	63 Å²	63	82.8 Å²	82.8	65%	0.649	47%	0.465	S	S	*	.	S	Bend	trans	70.5	-10.4	173.3	0	0	0	0	0	116	S7	S7-G10 PolarHBondContact O-N 3.2Å
11	L	66.2	Low	70.1	Confident	136 Å²	136	78.9 Å²	78.9	71%	0.712	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-77.4	128.5	168.3	-83.6	115.4	0	0	0	110.7	S7 D9 R13	S7-L11 PolarHBondContact OG-O 3.32Å; D9-L11 PolarHBondContact O-N 2.73Å; L11-R13 PolarHBondContact O-N 2.86Å
12	K	84.2	Confident	73.1	Confident	168 Å²	168	68.7 Å²	68.7	73%	0.73	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-60	124.4	171.3	-175.8	-171	175.9	-158.7	0	108.7
13	R	92.1	Very high	76.1	Confident	32 Å²	32	62.5 Å²	62.5	12%	0.121	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-64.8	137.9	175	-66.9	-172.1	-176.9	150.6	9.9	110.4	L11 N37 I39 E67	L11-R13 PolarHBondContact O-N 2.86Å; R13-N37 WeakPolarHBondContact CD-O 3.41Å; R13-N37 PolarHBondContact NE-OD1 3.44Å; R13-I39 HydrophobicContact CB-CD1 4.3Å; R13-I39 HydrophobicContact CB-CG1 4.16Å; R13-E67 IonicContact CZ-OE1 3.21Å; R13-E67 IonicContact CZ-OE2 3.73Å; R13-E67 IonicContact NH1-OE1 3.53Å; R13-E67 PolarHBondContact NH1-OE1 3.19Å; R13-E67 IonicContact NH1-OE2 2.85Å; R13-E67 PolarHBondContact NH1-OE2 3.3Å; R13-E67 IonicContact NH2-OE1 3.39Å; R13-E67 IonicContact NH2-OE2 3.71Å; R13-E67 PolarHBondContact NH2-OE2 3.11Å
14	K	97.3	Very high	78.8	Confident	78 Å²	78	55.3 Å²	55.3	34%	0.339	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-71.9	144.2	171.7	-74.2	-177.1	168.2	-167.1	0	110.8	Y38 I39 D93 E94	K14-Y38 HydrophobicContact CB-CD1 3.62Å; K14-Y38 HydrophobicContact CB-CE1 3.45Å; K14-Y38 VanDerWaalsContact CB-CE1 3.45Å; K14-Y38 HydrophobicContact CB-CE2 4.48Å; K14-Y38 HydrophobicContact CB-CG 4.25Å; K14-Y38 HydrophobicContact CD-CE1 3.76Å; K14-Y38 HydrophobicContact CD-CE2 4.37Å; K14-Y38 VanDerWaalsContact CD-OH 3.29Å; K14-Y38 WeakPolarHBondContact CD-OH 3.4Å; K14-Y38 HydrophobicContact CG-CE1 4.29Å; K14-Y38 WeakPolarHBondContact O-CA 3.31Å; K14-I39 PolarHBondContact O-N 2.9Å; K14-D93 WeakPolarHBondContact CA-OD2 3.29Å; K14-E94 IonicContact NZ-OE1 2.68Å; K14-E94 PolarHBondContact NZ-OE1 2.77Å
15	V	98.5	Very high	81.1	Confident	21 Å²	21	49.7 Å²	49.7	13%	0.127	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.3	178.1	-175.8	0	0	0	0	109.4	I39 V90 D93 E94	V15-I39 CarbonylContact C-O 3.56Å; V15-I39 WeakPolarHBondContact CA-O 3.46Å; V15-I39 HydrophobicContact CG2-CB 4.32Å; V15-I39 HydrophobicContact CG2-CD1 4.49Å; V15-V90 HydrophobicContact CG1-CG1 3.67Å; V15-D93 PolarHBondContact N-OD2 3.04Å; V15-D93 PolarHBondContact O-N 3.06Å; V15-E94 PolarHBondContact O-N 3.29Å; V15-E94 VanDerWaalsContact O-N 3.15Å
16	A	98.8	Very high	83.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.3	175.9	0	0	0	0	0	111.3	L33 Y38 I39 H41 E94 Y96	A16-L33 HydrophobicContact CB-CD1 3.62Å; A16-Y38 HydrophobicContact CB-CD1 3.93Å; A16-I39 PolarHBondContact N-O 3.22Å; A16-H41 PolarHBondContact O-N 3.39Å; A16-E94 CarbonylContact C-O 3.58Å; A16-E94 VanDerWaalsContact CA-O 3.28Å; A16-E94 WeakPolarHBondContact CA-O 3.28Å; A16-Y96 HydrophobicContact CB-CE2 4.23Å
17	L	98.9	Very high	86.3	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.5	170.6	177.1	66.7	0	0	0	110.2	H41 I43 V86 I87 P92 E94 I95 Y96	L17-H41 CarbonylContact C-O 3.58Å; L17-H41 WeakPolarHBondContact CA-O 3.43Å; L17-H41 HydrophobicContact CD1-CB 3.8Å; L17-I43 HydrophobicContact CD1-CD1 4.39Å; L17-I43 HydrophobicContact CD1-CG1 3.9Å; L17-I43 HydrophobicContact CD2-CD1 4.47Å; L17-V86 HydrophobicContact CD1-CG1 3.82Å; L17-V86 HydrophobicContact CD2-CG1 4.08Å; L17-I87 HydrophobicContact CD2-CG1 3.8Å; L17-P92 HydrophobicContact CB-CB 3.88Å; L17-P92 HydrophobicContact CB-CG 4.1Å; L17-P92 HydrophobicContact CD2-CG 4.34Å; L17-E94 PolarHBondContact N-O 2.67Å; L17-I95 HydrophobicContact CB-CG1 4.17Å; L17-I95 HydrophobicContact CD2-CG1 4.42Å; L17-I95 CarbonylContact O-C 3.5Å; L17-I95 WeakPolarHBondContact O-CA 3.25Å; L17-Y96 PolarHBondContact O-N 3.24Å
18	I	98.9	Very high	88.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.8	-177.6	-53.6	173.2	0	0	0	109.4	I21 L29 A30 L33 V40 H41 G42 I43 Y96 L98	I18-I21 HydrophobicContact CB-CB 4.33Å; I18-I21 HydrophobicContact CB-CD1 4.21Å; I18-I21 HydrophobicContact CB-CG1 4.3Å; I18-I21 HydrophobicContact CD1-CD1 4.25Å; I18-I21 HydrophobicContact CD1-CG1 4.5Å; I18-I21 HydrophobicContact CG2-CB 4.16Å; I18-I21 HydrophobicContact CG2-CG1 4.29Å; I18-L29 HydrophobicContact CD1-CB 4.32Å; I18-L29 HydrophobicContact CD1-CD2 3.93Å; I18-L29 HydrophobicContact CD1-CG 3.94Å; I18-L29 HydrophobicContact CG1-CD2 4.15Å; I18-L29 HydrophobicContact CG2-CD2 4.48Å; I18-A30 HydrophobicContact CD1-CB 4.26Å; I18-L33 HydrophobicContact CD1-CD1 4.15Å; I18-V40 HydrophobicContact CD1-CG1 3.79Å; I18-V40 HydrophobicContact CG1-CG1 4.47Å; I18-H41 PolarHBondContact N-O 3.48Å; I18-G42 WeakPolarHBondContact O-CA 3.45Å; I18-I43 PolarHBondContact O-N 2.81Å; I18-Y96 HydrophobicContact CG1-CD2 4.29Å; I18-L98 HydrophobicContact CG2-CD1 3.84Å; I18-L98 HydrophobicContact CG2-CG 4.26Å
19	T	98.8	Very high	91.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	145	165.2	78.3	0	0	0	0	108.9	I21 I43 M77 Y96 N97 L98 A99 L125	T19-I21 VanDerWaalsContact C-N 3.32Å; T19-I21 PolarHBondContact O-N 2.72Å; T19-I43 HydrophobicContact CG2-CD1 4.08Å; T19-M77 HydrophobicContact CG2-SD 3.95Å; T19-Y96 PolarHBondContact N-O 2.76Å; T19-N97 VanDerWaalsContact OG1-CA 3.29Å; T19-N97 WeakPolarHBondContact OG1-CA 3.32Å; T19-N97 PolarHBondContact OG1-OD1 3.17Å; T19-L98 CarbonylContact O-C 3.52Å; T19-L98 WeakPolarHBondContact O-CA 3.13Å; T19-L98 VanDerWaalsContact O-CB 3.27Å; T19-L98 WeakPolarHBondContact O-CB 3.46Å; T19-L98 PolarHBondContact O-N 3.42Å; T19-L98 PolarHBondContact OG1-N 2.71Å; T19-A99 PolarHBondContact O-N 3.48Å; T19-A99 VanDerWaalsContact OG1-CB 3.29Å; T19-A99 WeakPolarHBondContact OG1-CB 3.43Å; T19-A99 PolarHBondContact OG1-N 3.32Å; T19-L125 HydrophobicContact CG2-CD1 4.45Å; T19-L125 HydrophobicContact CG2-CD2 3.81Å
20	G	98	Very high	93.7	Very high	20 Å²	20	30.9 Å²	30.9	21%	0.206	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	26.1	-179.2	0	0	0	0	0	113.7	T22 G23	G20-T22 PolarHBondContact O-N 3.39Å; G20-G23 PolarHBondContact O-N 2.84Å
21	I	98.4	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.7	-175.4	-160.4	164.1	0	0	0	114.1	I18 T19 G23 G26 S27 A30 V40 G42 I44 V55 F70 L72	I18-I21 HydrophobicContact CB-CB 4.33Å; I18-I21 HydrophobicContact CB-CD1 4.21Å; I18-I21 HydrophobicContact CB-CG1 4.3Å; I18-I21 HydrophobicContact CD1-CD1 4.25Å; I18-I21 HydrophobicContact CD1-CG1 4.5Å; I18-I21 HydrophobicContact CG2-CB 4.16Å; I18-I21 HydrophobicContact CG2-CG1 4.29Å; T19-I21 VanDerWaalsContact C-N 3.32Å; T19-I21 PolarHBondContact O-N 2.72Å; I21-G23 VanDerWaalsContact C-N 3.27Å; I21-G23 PolarHBondContact O-N 2.84Å; I21-G26 CarbonylContact O-C 3.59Å; I21-S27 PolarHBondContact O-N 2.8Å; I21-A30 HydrophobicContact CD1-CB 4.22Å; I21-A30 HydrophobicContact CG1-CB 4.3Å; I21-V40 HydrophobicContact CD1-CG1 4.12Å; I21-G42 VanDerWaalsContact CD1-CA 3.43Å; I21-I44 HydrophobicContact CG2-CG2 3.74Å; I21-V55 WeakPolarHBondContact O-CG1 3.31Å; I21-F70 HydrophobicContact CD1-CE2 3.53Å; I21-F70 HydrophobicContact CD1-CZ 3.81Å; I21-F70 HydrophobicContact CG1-CE2 4.49Å; I21-L72 HydrophobicContact CD1-CD2 4.35Å; I21-L72 HydrophobicContact CG2-CD2 3.97Å
22	T	97.8	Very high	97.4	Very high	29 Å²	29	26.1 Å²	26.1	18%	0.178	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.4	178.2	58.5	0	0	0	0	113.6	G20 I44 N51 T52 R54	G20-T22 PolarHBondContact O-N 3.39Å; T22-I44 HydrophobicContact CG2-CG2 3.81Å; T22-N51 WeakPolarHBondContact CB-O 3.33Å; T22-N51 WeakPolarHBondContact CG2-O 3.19Å; T22-T52 HydrophobicContact CG2-CG2 4.24Å; T22-R54 WeakPolarHBondContact O-CD 3.37Å; T22-R54 PolarHBondContact O-NH1 2.77Å; T22-R54 VanDerWaalsContact O-NH1 3.08Å
23	G	97.5	Very high	98.1	Very high	25 Å²	25	18.1 Å²	18.1	26%	0.258	10%	0.097	S	C	.	.	S	Bend	trans	-76.9	-177.5	174.8	0	0	0	0	0	112.9	G20 I21 S27 R54	G20-G23 PolarHBondContact O-N 2.84Å; I21-G23 VanDerWaalsContact C-N 3.27Å; I21-G23 PolarHBondContact O-N 2.84Å; G23-S27 WeakPolarHBondContact O-CB 3.14Å; G23-S27 PolarHBondContact O-N 2.84Å; G23-S27 PolarHBondContact O-OG 3.3Å; G23-R54 VanDerWaalsContact O-CD 3.31Å; G23-R54 WeakPolarHBondContact O-CD 3.42Å
24	Q	98.3	Very high	98.3	Very high	13 Å²	13	18.4 Å²	18.4	6%	0.061	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-63.5	174.3	174	-179.1	-92.7	0	0	110.3	G26 S27 Y28 H199 S201 R203 R204 A242	Q24-G26 PolarHBondContact O-N 3.44Å; Q24-S27 PolarHBondContact O-N 2.92Å; Q24-S27 VanDerWaalsContact O-N 3.17Å; Q24-S27 PolarHBondContact O-OG 2.84Å; Q24-Y28 HydrophobicContact CG-CD2 4.21Å; Q24-Y28 HydrophobicContact CG-CE2 4.23Å; Q24-Y28 WeakPolarHBondContact O-CD2 3.34Å; Q24-Y28 PolarHBondContact O-N 3.44Å; Q24-H199 PolarHBondContact NE2-O 3.28Å; Q24-S201 VanDerWaalsContact CD-OG 3.23Å; Q24-S201 WeakPolarHBondContact CG-OG 3.49Å; Q24-S201 PolarHBondContact OE1-OG 2.82Å; Q24-R203 HydrophobicContact CG-CB 4.37Å; Q24-R204 VanDerWaalsContact OE1-CB 3.23Å; Q24-A242 HydrophobicContact CG-CB 3.85Å
25	D	98.7	Very high	98.3	Very high	29 Å²	29	19 Å²	19	16%	0.155	12%	0.115	C	C	.	.	H	α-helix	trans	-70.7	-38.6	-168.8	-42.1	-27.3	0	0	0	110.6	S27 Y28 L29 L98 H199 V246 M249	D25-S27 PolarHBondContact O-N 2.88Å; D25-Y28 PolarHBondContact O-N 2.91Å; D25-L29 VanDerWaalsContact O-CB 3.25Å; D25-L29 WeakPolarHBondContact O-CB 3.44Å; D25-L29 PolarHBondContact O-N 3.47Å; D25-L98 HydrophobicContact CB-CD1 4.26Å; D25-H199 VanDerWaalsContact CG-NE2 3.33Å; D25-H199 IonicContact OD1-CD2 2.73Å; D25-H199 PolarHBondContact OD1-CD2 3.4Å; D25-H199 VanDerWaalsContact OD1-CD2 3.29Å; D25-H199 IonicContact OD1-NE2 3.67Å; D25-H199 PolarHBondContact OD1-NE2 2.87Å; D25-H199 IonicContact OD2-CD2 3.63Å; D25-H199 IonicContact OD2-NE2 3.74Å; D25-H199 PolarHBondContact OD2-NE2 2.86Å; D25-H199 VanDerWaalsContact OD2-NE2 3.1Å; D25-V246 HydrophobicContact CB-CG1 4.05Å; D25-V246 WeakPolarHBondContact O-CG1 3.38Å; D25-M249 HydrophobicContact CB-CE 4.04Å
26	G	98.6	Very high	98.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-56.8	-36.7	173.9	0	0	0	0	0	113.6	I21 Q24 A30	I21-G26 CarbonylContact O-C 3.59Å; Q24-G26 PolarHBondContact O-N 3.44Å; G26-A30 VanDerWaalsContact O-CB 3.27Å; G26-A30 WeakPolarHBondContact O-CB 3.25Å; G26-A30 PolarHBondContact O-N 3.45Å
27	S	98.5	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.8	-42.7	177.2	71.8	0	0	0	0	112.9	I21 G23 Q24 D25 E31 R54 R203	I21-S27 PolarHBondContact O-N 2.8Å; G23-S27 WeakPolarHBondContact O-CB 3.14Å; G23-S27 PolarHBondContact O-N 2.84Å; G23-S27 PolarHBondContact O-OG 3.3Å; Q24-S27 PolarHBondContact O-N 2.92Å; Q24-S27 VanDerWaalsContact O-N 3.17Å; Q24-S27 PolarHBondContact O-OG 2.84Å; D25-S27 PolarHBondContact O-N 2.88Å; S27-E31 WeakPolarHBondContact O-CG 3.35Å; S27-E31 PolarHBondContact O-N 2.97Å; S27-R54 WeakPolarHBondContact CB-O 3.34Å; S27-R203 WeakPolarHBondContact OG-CD 3.37Å; S27-R203 PolarHBondContact OG-NH1 3.33Å
28	Y	98.6	Very high	97.9	Very high	33 Å²	33	26.7 Å²	26.7	13%	0.129	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-41.1	176.3	-78.7	-70.3	0	0	0	111.8	Q24 D25 A30 E31 F32 S201 R203 F241 A242	Q24-Y28 HydrophobicContact CG-CD2 4.21Å; Q24-Y28 HydrophobicContact CG-CE2 4.23Å; Q24-Y28 WeakPolarHBondContact O-CD2 3.34Å; Q24-Y28 PolarHBondContact O-N 3.44Å; D25-Y28 PolarHBondContact O-N 2.91Å; Y28-A30 VanDerWaalsContact C-N 3.34Å; Y28-A30 PolarHBondContact O-N 3.29Å; Y28-E31 PolarHBondContact O-N 2.9Å; Y28-F32 WeakPolarHBondContact O-CB 3.36Å; Y28-F32 PolarHBondContact O-N 3.35Å; Y28-S201 WeakPolarHBondContact CE2-OG 3.27Å; Y28-S201 WeakPolarHBondContact OH-CB 3.38Å; Y28-R203 HydrophobicContact CE2-CB 4.05Å; Y28-R203 HydrophobicContact CE2-CG 3.98Å; Y28-F241 HydrophobicContact CE1-CZ 4.11Å; Y28-A242 HydrophobicContact CD2-CB 4.08Å; Y28-A242 HydrophobicContact CE2-CB 4.25Å
29	L	98.8	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-40.7	177.6	-177.6	64	0	0	0	111.1	I18 D25 E31 F32 L33 Y96 L98 V246 M249	I18-L29 HydrophobicContact CD1-CB 4.32Å; I18-L29 HydrophobicContact CD1-CD2 3.93Å; I18-L29 HydrophobicContact CD1-CG 3.94Å; I18-L29 HydrophobicContact CG1-CD2 4.15Å; I18-L29 HydrophobicContact CG2-CD2 4.48Å; D25-L29 VanDerWaalsContact O-CB 3.25Å; D25-L29 WeakPolarHBondContact O-CB 3.44Å; D25-L29 PolarHBondContact O-N 3.47Å; L29-E31 PolarHBondContact O-N 3.42Å; L29-F32 PolarHBondContact O-N 3.41Å; L29-L33 HydrophobicContact CD1-CD1 3.99Å; L29-L33 HydrophobicContact CD1-CD2 4.31Å; L29-L33 HydrophobicContact CD1-CG 3.9Å; L29-L33 HydrophobicContact CD2-CD1 4.43Å; L29-L33 HydrophobicContact CG-CD1 3.87Å; L29-L33 HydrophobicContact CG-CG 4.17Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.23Å; L29-L33 PolarHBondContact O-N 2.79Å; L29-Y96 HydrophobicContact CD1-CE1 4.44Å; L29-Y96 HydrophobicContact CD2-CD1 3.65Å; L29-Y96 HydrophobicContact CD2-CD2 3.92Å; L29-Y96 HydrophobicContact CD2-CE1 4.16Å; L29-Y96 HydrophobicContact CD2-CE2 4.4Å; L29-Y96 HydrophobicContact CD2-CG 3.51Å; L29-L98 HydrophobicContact CD2-CD1 3.85Å; L29-V246 HydrophobicContact CB-CB 4.04Å; L29-V246 HydrophobicContact CB-CG1 3.95Å; L29-V246 HydrophobicContact CD1-CB 4.13Å; L29-M249 HydrophobicContact CD2-SD 4.48Å
30	A	98.6	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-46.1	175.2	0	0	0	0	0	111.8	I18 I21 G26 Y28 L34 V40 I58 F70	I18-A30 HydrophobicContact CD1-CB 4.26Å; I21-A30 HydrophobicContact CD1-CB 4.22Å; I21-A30 HydrophobicContact CG1-CB 4.3Å; G26-A30 VanDerWaalsContact O-CB 3.27Å; G26-A30 WeakPolarHBondContact O-CB 3.25Å; G26-A30 PolarHBondContact O-N 3.45Å; Y28-A30 VanDerWaalsContact C-N 3.34Å; Y28-A30 PolarHBondContact O-N 3.29Å; A30-L34 WeakPolarHBondContact O-CB 3.49Å; A30-L34 WeakPolarHBondContact O-CD1 3.27Å; A30-L34 WeakPolarHBondContact O-CG 3.37Å; A30-L34 PolarHBondContact O-N 3.21Å; A30-V40 HydrophobicContact CB-CG1 4.17Å; A30-I58 HydrophobicContact CB-CD1 3.85Å; A30-F70 HydrophobicContact CB-CE2 4.04Å
31	E	98.1	Very high	97.9	Very high	56 Å²	56	28.2 Å²	28.2	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-60.9	-46.7	175.1	-68.3	170	140.5	0	0	111.9	S27 Y28 L29 L34 S35 H57 I58 R203	S27-E31 WeakPolarHBondContact O-CG 3.35Å; S27-E31 PolarHBondContact O-N 2.97Å; Y28-E31 PolarHBondContact O-N 2.9Å; L29-E31 PolarHBondContact O-N 3.42Å; E31-L34 PolarHBondContact O-N 3.4Å; E31-S35 PolarHBondContact O-N 2.96Å; E31-H57 IonicContact OE1-CD2 3.2Å; E31-H57 IonicContact OE1-CE1 2.85Å; E31-H57 IonicContact OE1-NE2 3.68Å; E31-H57 PolarHBondContact OE1-NE2 3.15Å; E31-I58 HydrophobicContact CG-CD1 3.73Å; E31-I58 HydrophobicContact CG-CG1 4.14Å; E31-R203 VanDerWaalsContact CD-NH2 3.29Å; E31-R203 IonicContact OE1-CZ 3.52Å; E31-R203 IonicContact OE1-NH1 2.82Å; E31-R203 IonicContact OE1-NH2 2.8Å; E31-R203 PolarHBondContact OE1-NH2 3.41Å; E31-R203 IonicContact OE2-CZ 3.43Å; E31-R203 VanDerWaalsContact OE2-CZ 3.3Å; E31-R203 IonicContact OE2-NH1 2.96Å; E31-R203 PolarHBondContact OE2-NH1 3.21Å; E31-R203 IonicContact OE2-NH2 3.69Å; E31-R203 PolarHBondContact OE2-NH2 2.86Å
32	F	98.4	Very high	97.9	Very high	43 Å²	43	28.2 Å²	28.2	19%	0.189	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-51.7	-179.9	-179.6	-93.8	0	0	0	111.3	Y28 L29 L34 S35 M36 V246 K247 W250	Y28-F32 WeakPolarHBondContact O-CB 3.36Å; Y28-F32 PolarHBondContact O-N 3.35Å; L29-F32 PolarHBondContact O-N 3.41Å; F32-L34 PolarHBondContact O-N 3.16Å; F32-S35 WeakPolarHBondContact O-CB 3.48Å; F32-S35 PolarHBondContact O-N 2.99Å; F32-S35 PolarHBondContact O-OG 3.44Å; F32-M36 HydrophobicContact CE1-CG 4.22Å; F32-M36 HydrophobicContact CZ-CG 4.37Å; F32-M36 WeakPolarHBondContact O-CG 3.49Å; F32-M36 PolarHBondContact O-N 2.93Å; F32-V246 HydrophobicContact CB-CG2 4.48Å; F32-K247 HydrophobicContact CE2-CB 4.12Å; F32-K247 HydrophobicContact CE2-CD 4.47Å; F32-K247 HydrophobicContact CE2-CG 4.02Å; F32-K247 HydrophobicContact CZ-CB 4.24Å; F32-K247 HydrophobicContact CZ-CG 3.92Å; F32-W250 HydrophobicContact CD1-CB 4.28Å; F32-W250 HydrophobicContact CD1-CG 4.42Å; F32-W250 HydrophobicContact CE1-CB 3.7Å; F32-W250 AromaticContact CE1-CD2 3.7Å; F32-W250 HydrophobicContact CE1-CD2 3.7Å; F32-W250 AromaticContact CE1-CE3 3.92Å; F32-W250 HydrophobicContact CE1-CE3 3.92Å; F32-W250 AromaticContact CE1-CG 3.61Å; F32-W250 HydrophobicContact CE1-CG 3.61Å; F32-W250 HydrophobicContact CZ-CD2 4.18Å; F32-W250 AromaticContact CZ-CE3 3.93Å; F32-W250 HydrophobicContact CZ-CE3 3.93Å; F32-W250 HydrophobicContact CZ-CG 4.49Å
33	L	98.4	Very high	97.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-39.5	-179.3	-65.5	178.2	0	0	0	112.4	A16 I18 L29 S35 M36 N37 Y38 V40 Y96 W250	A16-L33 HydrophobicContact CB-CD1 3.62Å; I18-L33 HydrophobicContact CD1-CD1 4.15Å; L29-L33 HydrophobicContact CD1-CD1 3.99Å; L29-L33 HydrophobicContact CD1-CD2 4.31Å; L29-L33 HydrophobicContact CD1-CG 3.9Å; L29-L33 HydrophobicContact CD2-CD1 4.43Å; L29-L33 HydrophobicContact CG-CD1 3.87Å; L29-L33 HydrophobicContact CG-CG 4.17Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.23Å; L29-L33 PolarHBondContact O-N 2.79Å; L33-S35 VanDerWaalsContact C-N 3.28Å; L33-S35 PolarHBondContact O-N 3.17Å; L33-M36 CarbonylContact O-C 3.58Å; L33-M36 WeakPolarHBondContact O-CA 3.23Å; L33-M36 WeakPolarHBondContact O-CB 3.46Å; L33-M36 PolarHBondContact O-N 3.25Å; L33-N37 PolarHBondContact O-N 3.25Å; L33-Y38 HydrophobicContact CB-CD2 4.41Å; L33-Y38 HydrophobicContact CB-CG 4.1Å; L33-Y38 HydrophobicContact CD2-CD1 4.32Å; L33-Y38 HydrophobicContact CD2-CD2 4.32Å; L33-Y38 HydrophobicContact CD2-CE1 4.23Å; L33-Y38 HydrophobicContact CD2-CE2 4.26Å; L33-Y38 HydrophobicContact CD2-CG 4.35Å; L33-Y38 WeakPolarHBondContact O-CB 3.44Å; L33-Y38 WeakPolarHBondContact O-CD2 3.5Å; L33-Y38 PolarHBondContact O-N 2.81Å; L33-Y38 VanDerWaalsContact O-N 3.08Å; L33-V40 HydrophobicContact CB-CG2 3.72Å; L33-Y96 HydrophobicContact CD1-CD2 4.31Å; L33-Y96 HydrophobicContact CD1-CE2 3.76Å; L33-W250 VanDerWaalsContact CD2-CD1 3.5Å; L33-W250 HydrophobicContact CD2-CG 4.23Å
34	L	96.9	Very high	97.9	Very high	39 Å²	39	26.7 Å²	26.7	20%	0.204	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-37.2	174.4	-73.3	168.7	0	0	0	111.8	A30 E31 F32 M36 N37 V40 I58 T69 F70	A30-L34 WeakPolarHBondContact O-CB 3.49Å; A30-L34 WeakPolarHBondContact O-CD1 3.27Å; A30-L34 WeakPolarHBondContact O-CG 3.37Å; A30-L34 PolarHBondContact O-N 3.21Å; E31-L34 PolarHBondContact O-N 3.4Å; F32-L34 PolarHBondContact O-N 3.16Å; L34-M36 PolarHBondContact O-N 3.13Å; L34-N37 PolarHBondContact O-N 3.46Å; L34-N37 VanDerWaalsContact O-N 3.12Å; L34-V40 HydrophobicContact CD2-CB 4.14Å; L34-V40 HydrophobicContact CD2-CG2 3.91Å; L34-V40 HydrophobicContact CG-CB 4.25Å; L34-V40 HydrophobicContact CG-CG2 3.81Å; L34-I58 HydrophobicContact CD1-CG2 3.26Å; L34-T69 WeakPolarHBondContact CD2-OG1 3.32Å; L34-F70 HydrophobicContact CD1-CB 4.43Å; L34-F70 HydrophobicContact CD1-CD2 4.09Å
35	S	95.8	Very high	97.8	Very high	91 Å²	91	32.8 Å²	32.8	64%	0.636	16%	0.162	S	C	*	.	H	α-helix	trans	-65.2	-26.4	174	80.5	0	0	0	0	112.8	E31 F32 L33 N37	E31-S35 PolarHBondContact O-N 2.96Å; F32-S35 WeakPolarHBondContact O-CB 3.48Å; F32-S35 PolarHBondContact O-N 2.99Å; F32-S35 PolarHBondContact O-OG 3.44Å; L33-S35 VanDerWaalsContact C-N 3.28Å; L33-S35 PolarHBondContact O-N 3.17Å; S35-N37 VanDerWaalsContact C-N 3.28Å; S35-N37 PolarHBondContact O-N 3.01Å
36	M	96.3	Very high	97.5	Very high	88 Å²	88	40.6 Å²	40.6	43%	0.433	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	16.8	174.4	-62.2	-61.2	-66	0	0	113.2	F32 L33 L34 Y38 W250	F32-M36 HydrophobicContact CE1-CG 4.22Å; F32-M36 HydrophobicContact CZ-CG 4.37Å; F32-M36 WeakPolarHBondContact O-CG 3.49Å; F32-M36 PolarHBondContact O-N 2.93Å; L33-M36 CarbonylContact O-C 3.58Å; L33-M36 WeakPolarHBondContact O-CA 3.23Å; L33-M36 WeakPolarHBondContact O-CB 3.46Å; L33-M36 PolarHBondContact O-N 3.25Å; L34-M36 PolarHBondContact O-N 3.13Å; M36-Y38 VanDerWaalsContact C-N 3.31Å; M36-Y38 HydrophobicContact CB-CD2 3.81Å; M36-Y38 HydrophobicContact CB-CE2 3.95Å; M36-Y38 WeakPolarHBondContact O-CD2 3.38Å; M36-Y38 PolarHBondContact O-N 3.32Å; M36-W250 HydrophobicContact CE-CH2 4.15Å; M36-W250 HydrophobicContact CE-CZ2 4.02Å
37	N	95.3	Very high	97.1	Very high	81 Å²	81	42.8 Å²	42.8	43%	0.433	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	27.8	177.4	-163.8	34.8	0	0	0	114.9	R13 L33 L34 S35	R13-N37 WeakPolarHBondContact CD-O 3.41Å; R13-N37 PolarHBondContact NE-OD1 3.44Å; L33-N37 PolarHBondContact O-N 3.25Å; L34-N37 PolarHBondContact O-N 3.46Å; L34-N37 VanDerWaalsContact O-N 3.12Å; S35-N37 VanDerWaalsContact C-N 3.28Å; S35-N37 PolarHBondContact O-N 3.01Å
38	Y	97.6	Very high	96.7	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.047	24%	0.239	C	C	.	.			trans	-77.1	155.7	171.4	-78.4	-117.7	0	0	0	111.8	K14 A16 L33 M36 E94 W250	K14-Y38 HydrophobicContact CB-CD1 3.62Å; K14-Y38 HydrophobicContact CB-CE1 3.45Å; K14-Y38 VanDerWaalsContact CB-CE1 3.45Å; K14-Y38 HydrophobicContact CB-CE2 4.48Å; K14-Y38 HydrophobicContact CB-CG 4.25Å; K14-Y38 HydrophobicContact CD-CE1 3.76Å; K14-Y38 HydrophobicContact CD-CE2 4.37Å; K14-Y38 VanDerWaalsContact CD-OH 3.29Å; K14-Y38 WeakPolarHBondContact CD-OH 3.4Å; K14-Y38 HydrophobicContact CG-CE1 4.29Å; K14-Y38 WeakPolarHBondContact O-CA 3.31Å; A16-Y38 HydrophobicContact CB-CD1 3.93Å; L33-Y38 HydrophobicContact CB-CD2 4.41Å; L33-Y38 HydrophobicContact CB-CG 4.1Å; L33-Y38 HydrophobicContact CD2-CD1 4.32Å; L33-Y38 HydrophobicContact CD2-CD2 4.32Å; L33-Y38 HydrophobicContact CD2-CE1 4.23Å; L33-Y38 HydrophobicContact CD2-CE2 4.26Å; L33-Y38 HydrophobicContact CD2-CG 4.35Å; L33-Y38 WeakPolarHBondContact O-CB 3.44Å; L33-Y38 WeakPolarHBondContact O-CD2 3.5Å; L33-Y38 PolarHBondContact O-N 2.81Å; L33-Y38 VanDerWaalsContact O-N 3.08Å; M36-Y38 VanDerWaalsContact C-N 3.31Å; M36-Y38 HydrophobicContact CB-CD2 3.81Å; M36-Y38 HydrophobicContact CB-CE2 3.95Å; M36-Y38 WeakPolarHBondContact O-CD2 3.38Å; M36-Y38 PolarHBondContact O-N 3.32Å; Y38-E94 WeakPolarHBondContact CE1-OE2 3.29Å; Y38-E94 PolarHBondContact OH-OE1 2.92Å; Y38-E94 PolarHBondContact OH-OE2 3.24Å; Y38-E94 VanDerWaalsContact OH-OE2 3.09Å; Y38-W250 AromaticContact CE2-NE1 3.92Å; Y38-W250 AromaticContact CZ-NE1 3.67Å; Y38-W250 PolarHBondContact OH-NE1 2.76Å
39	I	97.8	Very high	96.2	Very high	29 Å²	29	50.8 Å²	50.8	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.4	157.9	-55.8	176.6	0	0	0	107.4	R13 K14 V15 A16 H41 T69 F71	R13-I39 HydrophobicContact CB-CD1 4.3Å; R13-I39 HydrophobicContact CB-CG1 4.16Å; K14-I39 PolarHBondContact O-N 2.9Å; V15-I39 CarbonylContact C-O 3.56Å; V15-I39 WeakPolarHBondContact CA-O 3.46Å; V15-I39 HydrophobicContact CG2-CB 4.32Å; V15-I39 HydrophobicContact CG2-CD1 4.49Å; A16-I39 PolarHBondContact N-O 3.22Å; I39-H41 WeakPolarHBondContact CG2-NE2 3.26Å; I39-T69 CarbonylContact C-O 3.59Å; I39-T69 WeakPolarHBondContact CA-O 3.46Å; I39-F71 HydrophobicContact CG2-CD2 3.99Å; I39-F71 HydrophobicContact CG2-CE2 3.76Å
40	V	98.5	Very high	95.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.8	-174.3	178	0	0	0	0	110.8	I18 I21 A30 L33 L34 T69 F70 F71	I18-V40 HydrophobicContact CD1-CG1 3.79Å; I18-V40 HydrophobicContact CG1-CG1 4.47Å; I21-V40 HydrophobicContact CD1-CG1 4.12Å; A30-V40 HydrophobicContact CB-CG1 4.17Å; L33-V40 HydrophobicContact CB-CG2 3.72Å; L34-V40 HydrophobicContact CD2-CB 4.14Å; L34-V40 HydrophobicContact CD2-CG2 3.91Å; L34-V40 HydrophobicContact CG-CB 4.25Å; L34-V40 HydrophobicContact CG-CG2 3.81Å; V40-T69 PolarHBondContact N-O 2.8Å; V40-F70 HydrophobicContact CB-CD2 4.08Å; V40-F70 HydrophobicContact CG1-CD2 3.99Å; V40-F70 HydrophobicContact CG1-CE2 4.06Å; V40-F70 CarbonylContact O-C 3.59Å; V40-F70 WeakPolarHBondContact O-CA 3.49Å; V40-F71 PolarHBondContact O-N 2.97Å
41	H	98.7	Very high	95.3	Very high	23 Å²	23	62.9 Å²	62.9	11%	0.106	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.1	173.9	-69.2	-118	0	0	0	109.4	A16 L17 I18 I39 F71 H73 V90	A16-H41 PolarHBondContact O-N 3.39Å; L17-H41 CarbonylContact C-O 3.58Å; L17-H41 WeakPolarHBondContact CA-O 3.43Å; L17-H41 HydrophobicContact CD1-CB 3.8Å; I18-H41 PolarHBondContact N-O 3.48Å; I39-H41 WeakPolarHBondContact CG2-NE2 3.26Å; H41-F71 CarbonylContact C-O 3.55Å; H41-F71 VanDerWaalsContact CA-O 3.31Å; H41-F71 WeakPolarHBondContact CA-O 3.41Å; H41-F71 AromaticContact CE1-CD2 3.72Å; H41-F71 AromaticContact CE1-CG 3.97Å; H41-F71 AromaticContact NE2-CD2 3.54Å; H41-H73 AromaticContact CE1-NE2 3.89Å; H41-H73 AromaticContact CG-NE2 3.74Å; H41-H73 AromaticContact ND1-CD2 3.92Å; H41-H73 AromaticContact ND1-CE1 3.65Å; H41-H73 AromaticContact ND1-NE2 2.92Å; H41-H73 PolarHBondContact ND1-NE2 3.36Å; H41-V90 HydrophobicContact CB-CG1 3.93Å; H41-V90 HydrophobicContact CB-CG2 4.25Å; H41-V90 WeakPolarHBondContact ND1-CG2 3.48Å
42	G	98.5	Very high	95	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.7	178.9	0	0	0	0	0	112.8	I18 I21 F71 L72 H73	I18-G42 WeakPolarHBondContact O-CA 3.45Å; I21-G42 VanDerWaalsContact CD1-CA 3.43Å; G42-F71 PolarHBondContact N-O 3.18Å; G42-L72 CarbonylContact O-C 3.54Å; G42-L72 WeakPolarHBondContact O-CA 3.49Å; G42-H73 PolarHBondContact O-N 3.41Å
43	I	98.3	Very high	94.8	Very high	11 Å²	11	61.8 Å²	61.8	6%	0.056	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.5	168.4	-54.2	-171.2	0	0	0	109.2	L17 I18 T19 H73 L83 V86	L17-I43 HydrophobicContact CD1-CD1 4.39Å; L17-I43 HydrophobicContact CD1-CG1 3.9Å; L17-I43 HydrophobicContact CD2-CD1 4.47Å; I18-I43 PolarHBondContact O-N 2.81Å; T19-I43 HydrophobicContact CG2-CD1 4.08Å; I43-H73 WeakPolarHBondContact CA-O 3.34Å; I43-L83 HydrophobicContact CD1-CD2 3.81Å; I43-V86 HydrophobicContact CD1-CB 4.43Å; I43-V86 HydrophobicContact CD1-CG1 4.12Å; I43-V86 HydrophobicContact CG1-CG1 4.16Å
44	I	96.8	Very high	94.6	Very high	12 Å²	12	65.7 Å²	65.7	6%	0.062	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.5	176	64.2	168.7	0	0	0	110.6	I21 T22 L72 H73 Y74 G75	I21-I44 HydrophobicContact CG2-CG2 3.74Å; T22-I44 HydrophobicContact CG2-CG2 3.81Å; I44-L72 HydrophobicContact CD1-CB 4.13Å; I44-L72 HydrophobicContact CD1-CD1 4.33Å; I44-L72 HydrophobicContact CG1-CB 4.42Å; I44-L72 HydrophobicContact CG2-CB 4.36Å; I44-L72 HydrophobicContact CG2-CD1 4.27Å; I44-L72 HydrophobicContact CG2-CD2 3.93Å; I44-L72 HydrophobicContact CG2-CG 4.42Å; I44-H73 PolarHBondContact N-O 3.12Å; I44-Y74 HydrophobicContact CD1-CD1 4.07Å; I44-Y74 HydrophobicContact CD1-CE1 3.7Å; I44-Y74 HydrophobicContact CG1-CD1 3.83Å; I44-Y74 HydrophobicContact CG1-CE1 3.98Å; I44-Y74 WeakPolarHBondContact O-CA 3.39Å; I44-G75 PolarHBondContact O-N 3.01Å; I44-G75 VanDerWaalsContact O-N 3.11Å
45	R	95.7	Very high	94.6	Very high	140 Å²	140	63.9 Å²	63.9	53%	0.528	33%	0.334	S	S	.	.			trans	-78.8	141.5	170.8	-64.6	-171.8	-61.8	163.8	2.6	109.8	S47 N51 D76 Y113	R45-S47 PolarHBondContact O-N 2.96Å; R45-N51 PolarHBondContact O-ND2 3.35Å; R45-D76 WeakPolarHBondContact CD-OD2 3.33Å; R45-D76 WeakPolarHBondContact CG-OD2 3.16Å; R45-Y113 PolarHBondContact NH1-OH 3.14Å
46	R	93.1	Very high	94.5	Very high	194 Å²	194	62.7 Å²	62.7	73%	0.732	32%	0.32	S	S	*	.			trans	-61.9	131.1	167.3	-174.3	-87.5	174.2	175.9	1.6	108.7	Y74	R46-Y74 HydrophobicContact CB-CD1 4.13Å; R46-Y74 HydrophobicContact CB-CE1 4.25Å
47	S	91.1	Very high	94.4	Very high	46 Å²	46	62.7 Å²	62.7	32%	0.322	32%	0.319	S	S	.	.			trans	-132.2	151.7	176.7	176.7	0	0	0	0	109.5	R45 T49 N51	R45-S47 PolarHBondContact O-N 2.96Å; S47-T49 WeakPolarHBondContact CB-O 3.43Å; S47-T49 PolarHBondContact OG-N 2.87Å; S47-T49 PolarHBondContact OG-O 3.24Å; S47-T49 PolarHBondContact OG-OG1 3.41Å; S47-N51 WeakPolarHBondContact CB-ND2 3.48Å
48	S	89.5	Confident	94.4	Very high	105 Å²	105	59.5 Å²	59.5	73%	0.734	30%	0.302	S	S	*	.	S	Bend	trans	-73.5	-14.9	171.5	50.8	0	0	0	0	112.6
49	T	88.3	Confident	94	Very high	97 Å²	97	64.2 Å²	64.2	60%	0.595	32%	0.32	S	S	*	.	S	Bend	trans	-123.9	159	175.3	58.2	0	0	0	0	110.9	S47 N51	S47-T49 WeakPolarHBondContact CB-O 3.43Å; S47-T49 PolarHBondContact OG-N 2.87Å; S47-T49 PolarHBondContact OG-O 3.24Å; S47-T49 PolarHBondContact OG-OG1 3.41Å; T49-N51 PolarHBondContact O-N 3.16Å
50	F	87.7	Confident	93.6	Very high	204 Å²	204	67.2 Å²	67.2	90%	0.895	33%	0.334	S	S	*	.			trans	-62.2	118.9	174.3	-65.8	-69.4	0	0	0	110.9
51	N	90.1	Very high	93.2	Very high	49 Å²	49	75.7 Å²	75.7	26%	0.262	37%	0.37	S	S	.	.			trans	-113.8	14.3	-178.8	63.5	-6.1	0	0	0	113.1	T22 R45 S47 T49	T22-N51 WeakPolarHBondContact CB-O 3.33Å; T22-N51 WeakPolarHBondContact CG2-O 3.19Å; R45-N51 PolarHBondContact O-ND2 3.35Å; S47-N51 WeakPolarHBondContact CB-ND2 3.48Å; T49-N51 PolarHBondContact O-N 3.16Å
52	T	93	Very high	92.7	Very high	20 Å²	20	75.2 Å²	75.2	12%	0.123	37%	0.369	C	S	.	.			trans	-99.3	11.3	-176.2	52.1	0	0	0	0	113.6	T22 R54 V55 N56 L72	T22-T52 HydrophobicContact CG2-CG2 4.24Å; T52-R54 PolarHBondContact O-N 3.06Å; T52-V55 HydrophobicContact CG2-CG2 4.49Å; T52-V55 CarbonylContact O-C 3.56Å; T52-V55 WeakPolarHBondContact O-CG2 3.38Å; T52-V55 PolarHBondContact O-N 2.9Å; T52-N56 WeakPolarHBondContact CB-OD1 3.34Å; T52-N56 VanDerWaalsContact O-CG 3.27Å; T52-N56 PolarHBondContact O-N 2.99Å; T52-N56 PolarHBondContact O-OD1 2.91Å; T52-N56 PolarHBondContact OG1-OD1 2.76Å; T52-L72 HydrophobicContact CG2-CD1 4.14Å
53	G	93	Very high	92	Very high	56 Å²	56	80.7 Å²	80.7	58%	0.577	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-37.7	-172.6	0	0	0	0	0	115.4	V55	G53-V55 VanDerWaalsContact C-N 3.33Å; G53-V55 PolarHBondContact O-N 3.35Å
54	R	95.6	Very high	91.2	Very high	83 Å²	83	87.8 Å²	87.8	31%	0.313	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.1	179.5	-63	-174.2	-178.1	84.2	7	115.3	T22 G23 S27 T52 H57 R203	T22-R54 WeakPolarHBondContact O-CD 3.37Å; T22-R54 PolarHBondContact O-NH1 2.77Å; T22-R54 VanDerWaalsContact O-NH1 3.08Å; G23-R54 VanDerWaalsContact O-CD 3.31Å; G23-R54 WeakPolarHBondContact O-CD 3.42Å; S27-R54 WeakPolarHBondContact CB-O 3.34Å; T52-R54 PolarHBondContact O-N 3.06Å; R54-H57 PolarHBondContact O-CE1 2.78Å; R54-R203 PolarHBondContact NE-O 2.9Å; R54-R203 PolarHBondContact NH2-O 3.14Å; R54-R203 VanDerWaalsContact NH2-O 3.14Å
55	V	96.3	Very high	90.6	Very high	0 Å²	0	89.5 Å²	89.5	0%	0	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	2.4	-178.3	-63.2	0	0	0	0	112.6	I21 T52 G53 H57 I58 Y59 F70	I21-V55 WeakPolarHBondContact O-CG1 3.31Å; T52-V55 HydrophobicContact CG2-CG2 4.49Å; T52-V55 CarbonylContact O-C 3.56Å; T52-V55 WeakPolarHBondContact O-CG2 3.38Å; T52-V55 PolarHBondContact O-N 2.9Å; G53-V55 VanDerWaalsContact C-N 3.33Å; G53-V55 PolarHBondContact O-N 3.35Å; V55-H57 VanDerWaalsContact C-N 3.29Å; V55-H57 PolarHBondContact O-N 2.86Å; V55-I58 HydrophobicContact CB-CD1 4.18Å; V55-I58 HydrophobicContact CG1-CD1 4.12Å; V55-I58 WeakPolarHBondContact O-CB 3.41Å; V55-I58 PolarHBondContact O-N 2.83Å; V55-I58 VanDerWaalsContact O-N 3.08Å; V55-Y59 PolarHBondContact O-N 2.82Å; V55-F70 HydrophobicContact CB-CZ 4.16Å; V55-F70 HydrophobicContact CG2-CZ 4.43Å
56	N	93.6	Very high	89.9	Confident	66 Å²	66	89.6 Å²	89.6	35%	0.353	46%	0.457	S	S	.	.	H	α-helix	trans	-58.4	-40.5	-179.5	-82.2	-8.5	0	0	0	111.9	T52 I58 Y59 E60	T52-N56 WeakPolarHBondContact CB-OD1 3.34Å; T52-N56 VanDerWaalsContact O-CG 3.27Å; T52-N56 PolarHBondContact O-N 2.99Å; T52-N56 PolarHBondContact O-OD1 2.91Å; T52-N56 PolarHBondContact OG1-OD1 2.76Å; N56-I58 VanDerWaalsContact C-N 3.26Å; N56-I58 PolarHBondContact O-N 2.63Å; N56-Y59 PolarHBondContact O-N 2.81Å; N56-Y59 VanDerWaalsContact O-N 3.16Å; N56-E60 WeakPolarHBondContact O-CG 3.14Å; N56-E60 PolarHBondContact O-N 2.92Å
57	H	93.7	Very high	89.7	Confident	89 Å²	89	83.3 Å²	83.3	41%	0.412	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-30.9	178.2	63.9	-71.2	0	0	0	112.7	E31 R54 V55 K61	E31-H57 IonicContact OE1-CD2 3.2Å; E31-H57 IonicContact OE1-CE1 2.85Å; E31-H57 IonicContact OE1-NE2 3.68Å; E31-H57 PolarHBondContact OE1-NE2 3.15Å; R54-H57 PolarHBondContact O-CE1 2.78Å; V55-H57 VanDerWaalsContact C-N 3.29Å; V55-H57 PolarHBondContact O-N 2.86Å; H57-K61 WeakPolarHBondContact O-CB 3.46Å; H57-K61 PolarHBondContact O-N 3.21Å; H57-K61 VanDerWaalsContact O-N 3.14Å
58	I	95.1	Very high	89.7	Confident	13 Å²	13	85.1 Å²	85.1	7%	0.067	44%	0.438	C	S	.	.	H	α-helix	trans	-68.3	-47	172.7	-51	177.7	0	0	0	109.7	A30 E31 L34 V55 N56 K61 N62 F70	A30-I58 HydrophobicContact CB-CD1 3.85Å; E31-I58 HydrophobicContact CG-CD1 3.73Å; E31-I58 HydrophobicContact CG-CG1 4.14Å; L34-I58 HydrophobicContact CD1-CG2 3.26Å; V55-I58 HydrophobicContact CB-CD1 4.18Å; V55-I58 HydrophobicContact CG1-CD1 4.12Å; V55-I58 WeakPolarHBondContact O-CB 3.41Å; V55-I58 PolarHBondContact O-N 2.83Å; V55-I58 VanDerWaalsContact O-N 3.08Å; N56-I58 VanDerWaalsContact C-N 3.26Å; N56-I58 PolarHBondContact O-N 2.63Å; I58-K61 PolarHBondContact O-N 3.36Å; I58-N62 VanDerWaalsContact O-CB 3.26Å; I58-N62 WeakPolarHBondContact O-CB 3.4Å; I58-N62 PolarHBondContact O-N 3.38Å; I58-F70 HydrophobicContact CG2-CB 4.18Å; I58-F70 HydrophobicContact CG2-CD1 4.02Å; I58-F70 HydrophobicContact CG2-CD2 3.85Å; I58-F70 HydrophobicContact CG2-CE1 4.33Å; I58-F70 HydrophobicContact CG2-CE2 4.16Å; I58-F70 HydrophobicContact CG2-CG 3.76Å; I58-F70 HydrophobicContact CG2-CZ 4.39Å
59	Y	89.8	Confident	90	Very high	112 Å²	112	81.6 Å²	81.6	44%	0.439	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-46.4	179.5	-175.4	-94	0	0	0	111.9	V55 N56 N62 K63	V55-Y59 PolarHBondContact O-N 2.82Å; N56-Y59 PolarHBondContact O-N 2.81Å; N56-Y59 VanDerWaalsContact O-N 3.16Å; Y59-N62 PolarHBondContact O-N 2.86Å; Y59-K63 WeakPolarHBondContact O-CB 3.37Å; Y59-K63 PolarHBondContact O-N 3.03Å
60	E	89.5	Confident	90.4	Very high	92 Å²	92	77.1 Å²	77.1	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-61.1	-46.7	177.4	-71	-57.2	145.4	0	0	111.5	N56 N62 K63 F64	N56-E60 WeakPolarHBondContact O-CG 3.14Å; N56-E60 PolarHBondContact O-N 2.92Å; E60-N62 VanDerWaalsContact C-N 3.32Å; E60-N62 PolarHBondContact O-N 3.24Å; E60-K63 WeakPolarHBondContact O-CB 3.47Å; E60-K63 PolarHBondContact O-N 2.86Å; E60-F64 WeakPolarHBondContact O-CD2 3.35Å
61	K	89.3	Confident	90.9	Very high	177 Å²	177	71 Å²	71	77%	0.77	36%	0.357	S	S	*	.	H	α-helix	trans	-59.2	-43.9	175.1	-174.9	178.5	178.7	-178.4	0	111.6	H57 I58 K63 S65	H57-K61 WeakPolarHBondContact O-CB 3.46Å; H57-K61 PolarHBondContact O-N 3.21Å; H57-K61 VanDerWaalsContact O-N 3.14Å; I58-K61 PolarHBondContact O-N 3.36Å; K61-K63 VanDerWaalsContact C-N 3.35Å; K61-K63 PolarHBondContact O-N 3.01Å; K61-S65 PolarHBondContact O-N 3.31Å
62	N	87.9	Confident	91.2	Very high	14 Å²	14	71 Å²	71	8%	0.075	36%	0.357	C	S	.	.	H	α-helix	trans	-67.7	-32.6	179.6	-172.8	57.3	0	0	0	112.3	I58 Y59 E60 F64 S65 K68 T69 F70	I58-N62 VanDerWaalsContact O-CB 3.26Å; I58-N62 WeakPolarHBondContact O-CB 3.4Å; I58-N62 PolarHBondContact O-N 3.38Å; Y59-N62 PolarHBondContact O-N 2.86Å; E60-N62 VanDerWaalsContact C-N 3.32Å; E60-N62 PolarHBondContact O-N 3.24Å; N62-F64 VanDerWaalsContact C-N 3.27Å; N62-F64 PolarHBondContact O-N 3.06Å; N62-S65 WeakPolarHBondContact O-CB 3.15Å; N62-S65 PolarHBondContact O-N 3.09Å; N62-K68 WeakPolarHBondContact O-CD 3.36Å; N62-K68 WeakPolarHBondContact O-CE 3.38Å; N62-K68 PolarHBondContact O-NZ 2.85Å; N62-K68 WeakPolarHBondContact OD1-CA 3.43Å; N62-T69 PolarHBondContact OD1-N 2.99Å; N62-F70 HydrophobicContact CB-CB 4.09Å; N62-F70 PolarHBondContact ND2-N 2.85Å; N62-F70 PolarHBondContact ND2-O 3.11Å; N62-F70 PolarHBondContact OD1-N 3.01Å
63	K	83.8	Confident	91.5	Very high	114 Å²	114	71.2 Å²	71.2	50%	0.496	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-31.2	179.6	-174.9	-179.7	174.9	-174.4	0	113.3	Y59 E60 K61 K68	Y59-K63 WeakPolarHBondContact O-CB 3.37Å; Y59-K63 PolarHBondContact O-N 3.03Å; E60-K63 WeakPolarHBondContact O-CB 3.47Å; E60-K63 PolarHBondContact O-N 2.86Å; K61-K63 VanDerWaalsContact C-N 3.35Å; K61-K63 PolarHBondContact O-N 3.01Å; K63-K68 PolarHBondContact O-NZ 3.19Å
64	F	82.4	Confident	91.7	Very high	161 Å²	161	76.3 Å²	76.3	71%	0.706	36%	0.36	S	S	*	.	H	α-helix	trans	-96.6	-6.4	177.7	-57.1	-72.3	0	0	0	114.1	E60 N62	E60-F64 WeakPolarHBondContact O-CD2 3.35Å; N62-F64 VanDerWaalsContact C-N 3.27Å; N62-F64 PolarHBondContact O-N 3.06Å
65	S	83.5	Confident	91.8	Very high	48 Å²	48	72.8 Å²	72.8	34%	0.336	35%	0.35	S	S	.	.			trans	-68.7	140.7	174.1	-175.3	0	0	0	0	111.8	K61 N62 E67 K68	K61-S65 PolarHBondContact O-N 3.31Å; N62-S65 WeakPolarHBondContact O-CB 3.15Å; N62-S65 PolarHBondContact O-N 3.09Å; S65-E67 VanDerWaalsContact CB-O 3.32Å; S65-E67 WeakPolarHBondContact CB-O 3.46Å; S65-E67 PolarHBondContact O-N 3.46Å; S65-E67 PolarHBondContact OG-N 3.36Å; S65-E67 PolarHBondContact OG-O 2.9Å; S65-K68 PolarHBondContact O-NZ 3.11Å
66	C	82	Confident	91.9	Very high	141 Å²	141	74.7 Å²	74.7	95%	0.953	36%	0.359	S	S	*	.	S	Bend	trans	-62.1	-32.4	171.9	55.4	0	0	0	0	111.7
67	E	87.8	Confident	92.1	Very high	63 Å²	63	72 Å²	72	29%	0.294	35%	0.345	S	S	.	.	S	Bend	trans	-118.2	121.5	177.2	-164.4	-179.1	179.6	0	0	109.9	R13 S65	R13-E67 IonicContact CZ-OE1 3.21Å; R13-E67 IonicContact CZ-OE2 3.73Å; R13-E67 IonicContact NH1-OE1 3.53Å; R13-E67 PolarHBondContact NH1-OE1 3.19Å; R13-E67 IonicContact NH1-OE2 2.85Å; R13-E67 PolarHBondContact NH1-OE2 3.3Å; R13-E67 IonicContact NH2-OE1 3.39Å; R13-E67 IonicContact NH2-OE2 3.71Å; R13-E67 PolarHBondContact NH2-OE2 3.11Å; S65-E67 VanDerWaalsContact CB-O 3.32Å; S65-E67 WeakPolarHBondContact CB-O 3.46Å; S65-E67 PolarHBondContact O-N 3.46Å; S65-E67 PolarHBondContact OG-N 3.36Å; S65-E67 PolarHBondContact OG-O 2.9Å
68	K	92.2	Very high	92.3	Very high	83 Å²	83	70.4 Å²	70.4	36%	0.361	34%	0.341	S	S	.	.			trans	-79.8	124.3	178.6	-58.7	-54.9	-178.5	-140.5	0	109.6	N62 K63 S65 F71	N62-K68 WeakPolarHBondContact O-CD 3.36Å; N62-K68 WeakPolarHBondContact O-CE 3.38Å; N62-K68 PolarHBondContact O-NZ 2.85Å; N62-K68 WeakPolarHBondContact OD1-CA 3.43Å; K63-K68 PolarHBondContact O-NZ 3.19Å; S65-K68 PolarHBondContact O-NZ 3.11Å; K68-F71 HydrophobicContact CB-CE1 3.86Å; K68-F71 HydrophobicContact CB-CE2 4.36Å; K68-F71 HydrophobicContact CB-CZ 3.54Å; K68-F71 WeakPolarHBondContact O-CE2 3.41Å; K68-F71 WeakPolarHBondContact O-CZ 3.28Å
69	T	95.6	Very high	92.4	Very high	32 Å²	32	73.2 Å²	73.2	20%	0.196	36%	0.357	C	S	.	.			trans	-118.9	-6.8	178.4	56	0	0	0	0	113	L34 I39 V40 N62	L34-T69 WeakPolarHBondContact CD2-OG1 3.32Å; I39-T69 CarbonylContact C-O 3.59Å; I39-T69 WeakPolarHBondContact CA-O 3.46Å; V40-T69 PolarHBondContact N-O 2.8Å; N62-T69 PolarHBondContact OD1-N 2.99Å
70	F	97.4	Very high	92.8	Very high	3 Å²	3	70.2 Å²	70.2	1%	0.013	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.3	179	-173.4	-105.8	0	0	0	112.2	I21 A30 L34 V40 V55 I58 N62 L72	I21-F70 HydrophobicContact CD1-CE2 3.53Å; I21-F70 HydrophobicContact CD1-CZ 3.81Å; I21-F70 HydrophobicContact CG1-CE2 4.49Å; A30-F70 HydrophobicContact CB-CE2 4.04Å; L34-F70 HydrophobicContact CD1-CB 4.43Å; L34-F70 HydrophobicContact CD1-CD2 4.09Å; V40-F70 HydrophobicContact CB-CD2 4.08Å; V40-F70 HydrophobicContact CG1-CD2 3.99Å; V40-F70 HydrophobicContact CG1-CE2 4.06Å; V40-F70 CarbonylContact O-C 3.59Å; V40-F70 WeakPolarHBondContact O-CA 3.49Å; V55-F70 HydrophobicContact CB-CZ 4.16Å; V55-F70 HydrophobicContact CG2-CZ 4.43Å; I58-F70 HydrophobicContact CG2-CB 4.18Å; I58-F70 HydrophobicContact CG2-CD1 4.02Å; I58-F70 HydrophobicContact CG2-CD2 3.85Å; I58-F70 HydrophobicContact CG2-CE1 4.33Å; I58-F70 HydrophobicContact CG2-CE2 4.16Å; I58-F70 HydrophobicContact CG2-CG 3.76Å; I58-F70 HydrophobicContact CG2-CZ 4.39Å; N62-F70 HydrophobicContact CB-CB 4.09Å; N62-F70 PolarHBondContact ND2-N 2.85Å; N62-F70 PolarHBondContact ND2-O 3.11Å; N62-F70 PolarHBondContact OD1-N 3.01Å; F70-L72 HydrophobicContact CE1-CD1 4.21Å; F70-L72 HydrophobicContact CE1-CD2 3.71Å; F70-L72 HydrophobicContact CE1-CG 3.89Å; F70-L72 HydrophobicContact CZ-CD2 3.63Å; F70-L72 HydrophobicContact CZ-CG 4.34Å
71	F	97.3	Very high	93.2	Very high	74 Å²	74	70.1 Å²	70.1	33%	0.325	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.2	-175.9	-58.2	-87.8	0	0	0	111.8	I39 V40 H41 G42 K68	I39-F71 HydrophobicContact CG2-CD2 3.99Å; I39-F71 HydrophobicContact CG2-CE2 3.76Å; V40-F71 PolarHBondContact O-N 2.97Å; H41-F71 CarbonylContact C-O 3.55Å; H41-F71 VanDerWaalsContact CA-O 3.31Å; H41-F71 WeakPolarHBondContact CA-O 3.41Å; H41-F71 AromaticContact CE1-CD2 3.72Å; H41-F71 AromaticContact CE1-CG 3.97Å; H41-F71 AromaticContact NE2-CD2 3.54Å; G42-F71 PolarHBondContact N-O 3.18Å; K68-F71 HydrophobicContact CB-CE1 3.86Å; K68-F71 HydrophobicContact CB-CE2 4.36Å; K68-F71 HydrophobicContact CB-CZ 3.54Å; K68-F71 WeakPolarHBondContact O-CE2 3.41Å; K68-F71 WeakPolarHBondContact O-CZ 3.28Å
72	L	97.3	Very high	93.6	Very high	50 Å²	50	62.3 Å²	62.3	26%	0.262	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.6	176.4	-60.1	179.5	0	0	0	110.7	I21 G42 I44 T52 F70	I21-L72 HydrophobicContact CD1-CD2 4.35Å; I21-L72 HydrophobicContact CG2-CD2 3.97Å; G42-L72 CarbonylContact O-C 3.54Å; G42-L72 WeakPolarHBondContact O-CA 3.49Å; I44-L72 HydrophobicContact CD1-CB 4.13Å; I44-L72 HydrophobicContact CD1-CD1 4.33Å; I44-L72 HydrophobicContact CG1-CB 4.42Å; I44-L72 HydrophobicContact CG2-CB 4.36Å; I44-L72 HydrophobicContact CG2-CD1 4.27Å; I44-L72 HydrophobicContact CG2-CD2 3.93Å; I44-L72 HydrophobicContact CG2-CG 4.42Å; T52-L72 HydrophobicContact CG2-CD1 4.14Å; F70-L72 HydrophobicContact CE1-CD1 4.21Å; F70-L72 HydrophobicContact CE1-CD2 3.71Å; F70-L72 HydrophobicContact CE1-CG 3.89Å; F70-L72 HydrophobicContact CZ-CD2 3.63Å; F70-L72 HydrophobicContact CZ-CG 4.34Å
73	H	97.9	Very high	94.2	Very high	24 Å²	24	61.6 Å²	61.6	11%	0.111	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.5	-179.2	-52.2	-89.2	0	0	0	109.3	H41 G42 I43 I44 V86	H41-H73 AromaticContact CE1-NE2 3.89Å; H41-H73 AromaticContact CG-NE2 3.74Å; H41-H73 AromaticContact ND1-CD2 3.92Å; H41-H73 AromaticContact ND1-CE1 3.65Å; H41-H73 AromaticContact ND1-NE2 2.92Å; H41-H73 PolarHBondContact ND1-NE2 3.36Å; G42-H73 PolarHBondContact O-N 3.41Å; I43-H73 WeakPolarHBondContact CA-O 3.34Å; I44-H73 PolarHBondContact N-O 3.12Å; H73-V86 HydrophobicContact CB-CG1 4.21Å; H73-V86 HydrophobicContact CB-CG2 3.74Å
74	Y	97.6	Very high	94.9	Very high	163 Å²	163	58.9 Å²	58.9	64%	0.639	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.3	170.5	-71.7	-63.1	0	0	0	110.6	I44 R46	I44-Y74 HydrophobicContact CD1-CD1 4.07Å; I44-Y74 HydrophobicContact CD1-CE1 3.7Å; I44-Y74 HydrophobicContact CG1-CD1 3.83Å; I44-Y74 HydrophobicContact CG1-CE1 3.98Å; I44-Y74 WeakPolarHBondContact O-CA 3.39Å; R46-Y74 HydrophobicContact CB-CD1 4.13Å; R46-Y74 HydrophobicContact CB-CE1 4.25Å
75	G	97.7	Very high	95.6	Very high	10 Å²	10	58.6 Å²	58.6	10%	0.103	31%	0.314	C	S	.	.			trans	-174.1	167.4	173.6	0	0	0	0	0	111.2	I44 S82	I44-G75 PolarHBondContact O-N 3.01Å; I44-G75 VanDerWaalsContact O-N 3.11Å; G75-S82 WeakPolarHBondContact CA-OG 3.27Å
76	D	97.9	Very high	96.3	Very high	39 Å²	39	56.7 Å²	56.7	21%	0.209	30%	0.301	C	S	.	.			trans	-138.7	147.2	175.9	-158.4	-67.6	0	0	0	110.1	R45 T78 D79 S82	R45-D76 WeakPolarHBondContact CD-OD2 3.33Å; R45-D76 WeakPolarHBondContact CG-OD2 3.16Å; D76-T78 PolarHBondContact O-N 3.47Å; D76-T78 PolarHBondContact OD1-N 3.17Å; D76-T78 PolarHBondContact OD1-OG1 3.03Å; D76-T78 VanDerWaalsContact OD1-OG1 3.11Å; D76-D79 PolarHBondContact O-N 3.36Å; D76-S82 PolarHBondContact N-OG 3.47Å; D76-S82 PolarHBondContact O-OG 3.08Å
77	M	98.3	Very high	97.1	Very high	9 Å²	9	50 Å²	50	4%	0.044	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.1	179.2	-63.3	-55.3	-61.4	0	0	112.3	T19 L83 N97 A99 V117 G121 R124 L125	T19-M77 HydrophobicContact CG2-SD 3.95Å; M77-L83 HydrophobicContact SD-CD2 4.23Å; M77-N97 WeakPolarHBondContact CE-OD1 3.49Å; M77-A99 HydrophobicContact CG-CB 3.55Å; M77-A99 HydrophobicContact SD-CB 3.86Å; M77-V117 HydrophobicContact CB-CG1 4.13Å; M77-V117 HydrophobicContact CG-CG1 4.39Å; M77-G121 VanDerWaalsContact CE-O 3.23Å; M77-G121 WeakPolarHBondContact CE-O 3.44Å; M77-G121 VanDerWaalsContact O-CA 3.27Å; M77-G121 WeakPolarHBondContact O-CA 3.32Å; M77-R124 WeakPolarHBondContact O-CD 3.25Å; M77-L125 HydrophobicContact CE-CB 4.27Å; M77-L125 HydrophobicContact CE-CD2 4.21Å
78	T	98.1	Very high	97.6	Very high	56 Å²	56	50 Å²	50	34%	0.344	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.3	174.8	64.8	0	0	0	0	113.5	D76 E116 V117	D76-T78 PolarHBondContact O-N 3.47Å; D76-T78 PolarHBondContact OD1-N 3.17Å; D76-T78 PolarHBondContact OD1-OG1 3.03Å; D76-T78 VanDerWaalsContact OD1-OG1 3.11Å; T78-E116 HydrophobicContact CG2-CB 4.25Å; T78-V117 HydrophobicContact CG2-CG2 3.78Å
79	D	98.1	Very high	97.9	Very high	72 Å²	72	53.4 Å²	53.4	39%	0.385	28%	0.277	S	S	.	.			trans	-112	96.1	-178.1	177.7	-0.1	0	0	0	111.5	D76 S81 S82 L83	D76-D79 PolarHBondContact O-N 3.36Å; D79-S81 PolarHBondContact O-N 3.08Å; D79-S81 WeakPolarHBondContact OD1-CB 3.34Å; D79-S81 PolarHBondContact OD1-N 3.36Å; D79-S82 PolarHBondContact O-N 3.33Å; D79-S82 VanDerWaalsContact O-N 3.16Å; D79-S82 PolarHBondContact O-OG 2.95Å; D79-S82 PolarHBondContact OD1-N 3.03Å; D79-S82 VanDerWaalsContact OD1-N 3.13Å; D79-S82 WeakPolarHBondContact OD2-CB 3.38Å; D79-L83 PolarHBondContact O-N 3.09Å
80	S	98	Very high	98	Very high	49 Å²	49	52.6 Å²	52.6	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-55	-37.1	177.6	-54.9	0	0	0	0	113.3	L83 I84 R124	S80-L83 PolarHBondContact O-N 2.95Å; S80-I84 WeakPolarHBondContact O-CD1 3.29Å; S80-I84 VanDerWaalsContact O-CG1 3.27Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 3.45Å; S80-R124 WeakPolarHBondContact OG-CD 3.37Å; S80-R124 WeakPolarHBondContact OG-CG 3.4Å
81	S	98.1	Very high	98	Very high	90 Å²	90	57.2 Å²	57.2	63%	0.629	30%	0.295	S	S	*	.	H	α-helix	trans	-68.2	-39.7	-178.1	-60.7	0	0	0	0	110.8	D79 K85	D79-S81 PolarHBondContact O-N 3.08Å; D79-S81 WeakPolarHBondContact OD1-CB 3.34Å; D79-S81 PolarHBondContact OD1-N 3.36Å; S81-K85 VanDerWaalsContact O-CB 3.25Å; S81-K85 WeakPolarHBondContact O-CB 3.28Å; S81-K85 PolarHBondContact O-N 2.96Å
82	S	97.8	Very high	98.1	Very high	13 Å²	13	53.8 Å²	53.8	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-42.6	175.3	79.1	0	0	0	0	111.9	G75 D76 D79 K85 V86	G75-S82 WeakPolarHBondContact CA-OG 3.27Å; D76-S82 PolarHBondContact N-OG 3.47Å; D76-S82 PolarHBondContact O-OG 3.08Å; D79-S82 PolarHBondContact O-N 3.33Å; D79-S82 VanDerWaalsContact O-N 3.16Å; D79-S82 PolarHBondContact O-OG 2.95Å; D79-S82 PolarHBondContact OD1-N 3.03Å; D79-S82 VanDerWaalsContact OD1-N 3.13Å; D79-S82 WeakPolarHBondContact OD2-CB 3.38Å; S82-K85 PolarHBondContact O-N 3.43Å; S82-V86 WeakPolarHBondContact O-CG2 3.2Å; S82-V86 PolarHBondContact O-N 3Å
83	L	98.5	Very high	98.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-46.9	179.3	-61.4	-179.8	0	0	0	111.5	I43 M77 D79 S80 K85 V86 I87 R124 L125 A128	I43-L83 HydrophobicContact CD1-CD2 3.81Å; M77-L83 HydrophobicContact SD-CD2 4.23Å; D79-L83 PolarHBondContact O-N 3.09Å; S80-L83 PolarHBondContact O-N 2.95Å; L83-K85 VanDerWaalsContact C-N 3.35Å; L83-K85 PolarHBondContact O-N 2.86Å; L83-V86 PolarHBondContact O-N 2.96Å; L83-I87 WeakPolarHBondContact O-CB 3.42Å; L83-I87 WeakPolarHBondContact O-CG1 3.34Å; L83-I87 PolarHBondContact O-N 3.2Å; L83-R124 HydrophobicContact CD1-CB 3.92Å; L83-L125 HydrophobicContact CB-CD1 4.49Å; L83-L125 HydrophobicContact CD1-CB 4.43Å; L83-L125 HydrophobicContact CD1-CD1 4.32Å; L83-L125 HydrophobicContact CD2-CD1 4.22Å; L83-A128 HydrophobicContact CB-CB 4.26Å
84	I	98.4	Very high	98.2	Very high	57 Å²	57	52.6 Å²	52.6	29%	0.292	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-45.1	176.2	-67.6	164.4	0	0	0	110.6	S80 V86 I87 S88 A128 T131	S80-I84 WeakPolarHBondContact O-CD1 3.29Å; S80-I84 VanDerWaalsContact O-CG1 3.27Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 3.45Å; I84-V86 PolarHBondContact O-N 3.07Å; I84-I87 PolarHBondContact O-N 3.07Å; I84-S88 VanDerWaalsContact O-CB 3.28Å; I84-S88 WeakPolarHBondContact O-CB 3.35Å; I84-S88 PolarHBondContact O-N 3.29Å; I84-S88 PolarHBondContact O-OG 3.47Å; I84-A128 HydrophobicContact CG1-CB 3.66Å; I84-T131 HydrophobicContact CD1-CG2 4.32Å; I84-T131 HydrophobicContact CG2-CG2 4.41Å
85	K	98.3	Very high	98.2	Very high	154 Å²	154	44.9 Å²	44.9	67%	0.67	24%	0.244	S	C	*	.	H	α-helix	trans	-61	-42.7	178.3	-179.9	-179.4	178	179.4	0	112.2	S81 S82 L83 S88 K89	S81-K85 VanDerWaalsContact O-CB 3.25Å; S81-K85 WeakPolarHBondContact O-CB 3.28Å; S81-K85 PolarHBondContact O-N 2.96Å; S82-K85 PolarHBondContact O-N 3.43Å; L83-K85 VanDerWaalsContact C-N 3.35Å; L83-K85 PolarHBondContact O-N 2.86Å; K85-S88 PolarHBondContact O-OG 3.47Å; K85-S88 VanDerWaalsContact O-OG 3.11Å; K85-K89 VanDerWaalsContact O-CB 3.29Å; K85-K89 WeakPolarHBondContact O-CB 3.4Å; K85-K89 PolarHBondContact O-N 2.97Å
86	V	98.5	Very high	98.3	Very high	8 Å²	8	44.4 Å²	44.4	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-49.4	178.3	173.2	0	0	0	0	110.5	L17 I43 H73 S82 L83 I84 S88 K89 V90	L17-V86 HydrophobicContact CD1-CG1 3.82Å; L17-V86 HydrophobicContact CD2-CG1 4.08Å; I43-V86 HydrophobicContact CD1-CB 4.43Å; I43-V86 HydrophobicContact CD1-CG1 4.12Å; I43-V86 HydrophobicContact CG1-CG1 4.16Å; H73-V86 HydrophobicContact CB-CG1 4.21Å; H73-V86 HydrophobicContact CB-CG2 3.74Å; S82-V86 WeakPolarHBondContact O-CG2 3.2Å; S82-V86 PolarHBondContact O-N 3Å; L83-V86 PolarHBondContact O-N 2.96Å; I84-V86 PolarHBondContact O-N 3.07Å; V86-S88 PolarHBondContact O-N 2.85Å; V86-K89 PolarHBondContact O-N 2.87Å; V86-V90 HydrophobicContact CG1-CG2 4Å; V86-V90 WeakPolarHBondContact O-CB 3.5Å; V86-V90 VanDerWaalsContact O-CG2 3.25Å; V86-V90 WeakPolarHBondContact O-CG2 3.29Å; V86-V90 PolarHBondContact O-N 2.84Å
87	I	98.6	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-47.3	-178.7	-71	167.6	0	0	0	111.2	L17 L83 I84 K89 V90 M91 I95 L125 A128 I129 C132 L134	L17-I87 HydrophobicContact CD2-CG1 3.8Å; L83-I87 WeakPolarHBondContact O-CB 3.42Å; L83-I87 WeakPolarHBondContact O-CG1 3.34Å; L83-I87 PolarHBondContact O-N 3.2Å; I84-I87 PolarHBondContact O-N 3.07Å; I87-K89 VanDerWaalsContact C-N 3.27Å; I87-K89 PolarHBondContact O-N 2.82Å; I87-V90 PolarHBondContact O-N 2.94Å; I87-M91 PolarHBondContact O-N 2.98Å; I87-I95 HydrophobicContact CD1-CD1 4.3Å; I87-I95 HydrophobicContact CG1-CD1 4.4Å; I87-L125 HydrophobicContact CD1-CD1 3.66Å; I87-A128 HydrophobicContact CD1-CB 3.62Å; I87-I129 HydrophobicContact CD1-CG1 4.15Å; I87-C132 HydrophobicContact CG2-CB 3.91Å; I87-L134 HydrophobicContact CG2-CD1 3.62Å
88	S	98	Very high	98.4	Very high	63 Å²	63	43.2 Å²	43.2	44%	0.441	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-31.6	178.4	56.7	0	0	0	0	113.6	I84 K85 V86	I84-S88 VanDerWaalsContact O-CB 3.28Å; I84-S88 WeakPolarHBondContact O-CB 3.35Å; I84-S88 PolarHBondContact O-N 3.29Å; I84-S88 PolarHBondContact O-OG 3.47Å; K85-S88 PolarHBondContact O-OG 3.47Å; K85-S88 VanDerWaalsContact O-OG 3.11Å; V86-S88 PolarHBondContact O-N 2.85Å
89	K	97.9	Very high	98.3	Very high	155 Å²	155	41.4 Å²	41.4	67%	0.674	22%	0.224	S	C	*	.	H	α-helix	trans	-77.9	-41.1	175.9	-178.6	-179.6	177.1	-174.4	0	112.5	K85 V86 I87	K85-K89 VanDerWaalsContact O-CB 3.29Å; K85-K89 WeakPolarHBondContact O-CB 3.4Å; K85-K89 PolarHBondContact O-N 2.97Å; V86-K89 PolarHBondContact O-N 2.87Å; I87-K89 VanDerWaalsContact C-N 3.27Å; I87-K89 PolarHBondContact O-N 2.82Å
90	V	98	Very high	98.3	Very high	15 Å²	15	39.5 Å²	39.5	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-82.8	-36.1	-172.4	174	0	0	0	0	111.8	V15 H41 V86 I87 P92	V15-V90 HydrophobicContact CG1-CG1 3.67Å; H41-V90 HydrophobicContact CB-CG1 3.93Å; H41-V90 HydrophobicContact CB-CG2 4.25Å; H41-V90 WeakPolarHBondContact ND1-CG2 3.48Å; V86-V90 HydrophobicContact CG1-CG2 4Å; V86-V90 WeakPolarHBondContact O-CB 3.5Å; V86-V90 VanDerWaalsContact O-CG2 3.25Å; V86-V90 WeakPolarHBondContact O-CG2 3.29Å; V86-V90 PolarHBondContact O-N 2.84Å; I87-V90 PolarHBondContact O-N 2.94Å; V90-P92 HydrophobicContact CG1-CB 4.19Å
91	M	97.9	Very high	98.2	Very high	100 Å²	100	38.4 Å²	38.4	49%	0.493	21%	0.208	S	C	.	.			trans	48.1	59.2	-174.4	-60.3	-64.9	-76.6	0	0	112	I87 L134	I87-M91 PolarHBondContact O-N 2.98Å; M91-L134 HydrophobicContact CE-CD2 3.65Å; M91-L134 HydrophobicContact CE-CG 4.48Å; M91-L134 HydrophobicContact SD-CD1 4.2Å; M91-L134 HydrophobicContact SD-CD2 4.28Å
92	P	98.5	Very high	98.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.013	20%	0.196	C	C	.	.			trans	-69.4	148.9	-173.1	30.6	-35.7	0	0	0	112.4	L17 V90 I95 V138	L17-P92 HydrophobicContact CB-CB 3.88Å; L17-P92 HydrophobicContact CB-CG 4.1Å; L17-P92 HydrophobicContact CD2-CG 4.34Å; V90-P92 HydrophobicContact CG1-CB 4.19Å; P92-I95 HydrophobicContact CB-CG1 4.07Å; P92-I95 HydrophobicContact CG-CD1 3.7Å; P92-I95 HydrophobicContact CG-CG1 3.55Å; P92-V138 HydrophobicContact CG-CG2 4.34Å; P92-V138 WeakPolarHBondContact O-CG2 3.19Å
93	D	98.6	Very high	98	Very high	47 Å²	47	37.7 Å²	37.7	25%	0.251	20%	0.199	S	C	.	.	S	Bend	trans	-83.3	-32.5	167.8	-55.4	-70.3	0	0	0	110.8	K14 V15 V138 K139	K14-D93 WeakPolarHBondContact CA-OD2 3.29Å; V15-D93 PolarHBondContact N-OD2 3.04Å; V15-D93 PolarHBondContact O-N 3.06Å; D93-V138 WeakPolarHBondContact O-CA 3.42Å; D93-K139 PolarHBondContact O-N 3.39Å
94	E	98.9	Very high	97.9	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.8	-179.2	-66.9	172.6	-165.7	0	0	110.5	K14 V15 A16 L17 Y38 Y96 K139 L253 Q254	K14-E94 IonicContact NZ-OE1 2.68Å; K14-E94 PolarHBondContact NZ-OE1 2.77Å; V15-E94 PolarHBondContact O-N 3.29Å; V15-E94 VanDerWaalsContact O-N 3.15Å; A16-E94 CarbonylContact C-O 3.58Å; A16-E94 VanDerWaalsContact CA-O 3.28Å; A16-E94 WeakPolarHBondContact CA-O 3.28Å; L17-E94 PolarHBondContact N-O 2.67Å; Y38-E94 WeakPolarHBondContact CE1-OE2 3.29Å; Y38-E94 PolarHBondContact OH-OE1 2.92Å; Y38-E94 PolarHBondContact OH-OE2 3.24Å; Y38-E94 VanDerWaalsContact OH-OE2 3.09Å; E94-Y96 HydrophobicContact CB-CE2 3.91Å; E94-Y96 PolarHBondContact OE2-OH 3.32Å; E94-K139 CarbonylContact C-O 3.54Å; E94-K139 WeakPolarHBondContact CA-O 3.43Å; E94-K139 HydrophobicContact CG-CB 4.4Å; E94-L253 HydrophobicContact CB-CD1 3.97Å; E94-L253 HydrophobicContact CG-CD1 4.1Å; E94-Q254 PolarHBondContact OE1-NE2 3.31Å
95	I	98.9	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.2	174.9	-66.1	172	0	0	0	109.4	L17 I87 P92 L125 I129 V138 K139 F140 Y141	L17-I95 HydrophobicContact CB-CG1 4.17Å; L17-I95 HydrophobicContact CD2-CG1 4.42Å; L17-I95 CarbonylContact O-C 3.5Å; L17-I95 WeakPolarHBondContact O-CA 3.25Å; I87-I95 HydrophobicContact CD1-CD1 4.3Å; I87-I95 HydrophobicContact CG1-CD1 4.4Å; P92-I95 HydrophobicContact CB-CG1 4.07Å; P92-I95 HydrophobicContact CG-CD1 3.7Å; P92-I95 HydrophobicContact CG-CG1 3.55Å; I95-L125 HydrophobicContact CG2-CD2 4.02Å; I95-I129 HydrophobicContact CD1-CD1 3.58Å; I95-I129 HydrophobicContact CD1-CG1 3.58Å; I95-V138 HydrophobicContact CB-CG2 4.42Å; I95-V138 HydrophobicContact CD1-CG2 3.74Å; I95-V138 HydrophobicContact CG1-CG2 3.72Å; I95-K139 PolarHBondContact N-O 3.05Å; I95-F140 HydrophobicContact CB-CD2 4.01Å; I95-F140 HydrophobicContact CG2-CD2 3.77Å; I95-F140 HydrophobicContact CG2-CE2 3.85Å; I95-F140 WeakPolarHBondContact O-CA 3.27Å; I95-Y141 PolarHBondContact O-N 2.97Å
96	Y	98.9	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	108.7	175.8	-60.7	-93.2	0	0	0	110	A16 L17 I18 T19 L29 L33 E94 L98 Y141 M249 L253	A16-Y96 HydrophobicContact CB-CE2 4.23Å; L17-Y96 PolarHBondContact O-N 3.24Å; I18-Y96 HydrophobicContact CG1-CD2 4.29Å; T19-Y96 PolarHBondContact N-O 2.76Å; L29-Y96 HydrophobicContact CD1-CE1 4.44Å; L29-Y96 HydrophobicContact CD2-CD1 3.65Å; L29-Y96 HydrophobicContact CD2-CD2 3.92Å; L29-Y96 HydrophobicContact CD2-CE1 4.16Å; L29-Y96 HydrophobicContact CD2-CE2 4.4Å; L29-Y96 HydrophobicContact CD2-CG 3.51Å; L33-Y96 HydrophobicContact CD1-CD2 4.31Å; L33-Y96 HydrophobicContact CD1-CE2 3.76Å; E94-Y96 HydrophobicContact CB-CE2 3.91Å; E94-Y96 PolarHBondContact OE2-OH 3.32Å; Y96-L98 PolarHBondContact O-N 2.79Å; Y96-Y141 AromaticContact CD1-CD1 3.9Å; Y96-Y141 HydrophobicContact CD1-CD1 3.9Å; Y96-Y141 AromaticContact CD1-CG 3.91Å; Y96-Y141 HydrophobicContact CD1-CG 3.91Å; Y96-Y141 HydrophobicContact CE1-CG 4.48Å; Y96-M249 HydrophobicContact CD1-CB 4.3Å; Y96-M249 HydrophobicContact CE1-CB 4.17Å; Y96-L253 HydrophobicContact CD1-CD1 4.22Å; Y96-L253 HydrophobicContact CE1-CD1 3.58Å; Y96-L253 HydrophobicContact CE1-CG 4.15Å; Y96-L253 HydrophobicContact CE2-CD1 4.11Å
97	N	98.9	Very high	97.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	88.7	178.6	-170.8	32.1	0	0	0	111.2	T19 M77 T122 L125 F140 Y141 Q142 A143	T19-N97 VanDerWaalsContact OG1-CA 3.29Å; T19-N97 WeakPolarHBondContact OG1-CA 3.32Å; T19-N97 PolarHBondContact OG1-OD1 3.17Å; M77-N97 WeakPolarHBondContact CE-OD1 3.49Å; N97-T122 PolarHBondContact ND2-OG1 2.68Å; N97-L125 HydrophobicContact CB-CD2 3.81Å; N97-F140 HydrophobicContact CB-CE1 4.48Å; N97-F140 HydrophobicContact CB-CE2 4.12Å; N97-F140 HydrophobicContact CB-CZ 3.69Å; N97-Y141 PolarHBondContact N-O 2.98Å; N97-Q142 PolarHBondContact ND2-OE1 2.8Å; N97-A143 VanDerWaalsContact O-CB 3.3Å; N97-A143 WeakPolarHBondContact O-CB 3.5Å; N97-A143 PolarHBondContact O-N 3.23Å
98	L	98.8	Very high	97.6	Very high	21 Å²	21	35.1 Å²	35.1	11%	0.11	19%	0.19	C	C	.	.			trans	-107	-7.3	179.9	-40.9	179.8	0	0	0	112.9	I18 T19 D25 L29 Y96 A100 Y141 A143 M249	I18-L98 HydrophobicContact CG2-CD1 3.84Å; I18-L98 HydrophobicContact CG2-CG 4.26Å; T19-L98 CarbonylContact O-C 3.52Å; T19-L98 WeakPolarHBondContact O-CA 3.13Å; T19-L98 VanDerWaalsContact O-CB 3.27Å; T19-L98 WeakPolarHBondContact O-CB 3.46Å; T19-L98 PolarHBondContact O-N 3.42Å; T19-L98 PolarHBondContact OG1-N 2.71Å; D25-L98 HydrophobicContact CB-CD1 4.26Å; L29-L98 HydrophobicContact CD2-CD1 3.85Å; Y96-L98 PolarHBondContact O-N 2.79Å; L98-A100 PolarHBondContact O-N 3.08Å; L98-Y141 HydrophobicContact CD2-CD1 3.91Å; L98-Y141 HydrophobicContact CD2-CE1 3.62Å; L98-A143 HydrophobicContact CD2-CB 3.88Å; L98-M249 HydrophobicContact CD1-SD 4.4Å; L98-M249 HydrophobicContact CD2-CE 4.29Å; L98-M249 HydrophobicContact CD2-SD 3.87Å
99	A	97.7	Very high	97.6	Very high	18 Å²	18	37.5 Å²	37.5	15%	0.149	20%	0.198	C	C	.	.			trans	-66.2	129.1	176.3	0	0	0	0	0	111.3	T19 M77	T19-A99 PolarHBondContact O-N 3.48Å; T19-A99 VanDerWaalsContact OG1-CB 3.29Å; T19-A99 WeakPolarHBondContact OG1-CB 3.43Å; T19-A99 PolarHBondContact OG1-N 3.32Å; M77-A99 HydrophobicContact CG-CB 3.55Å; M77-A99 HydrophobicContact SD-CB 3.86Å
100	A	96.7	Very high	97.6	Very high	32 Å²	32	34.4 Å²	34.4	26%	0.264	19%	0.188	S	C	.	.			trans	-160.2	154.9	174.2	0	0	0	0	0	111.1	L98 S102 V118	L98-A100 PolarHBondContact O-N 3.08Å; A100-S102 PolarHBondContact O-N 3.24Å; A100-V118 HydrophobicContact CB-CG2 3.9Å
101	Q	97.2	Very high	97.6	Very high	27 Å²	27	36.5 Å²	36.5	13%	0.126	20%	0.204	C	C	.	.			trans	-75.2	95.5	147.3	-165.1	-62.7	87.7	0	0	106.1	H103 Y113 T114 Y169	Q101-H103 PolarHBondContact NE2-O 3.3Å; Q101-H103 PolarHBondContact OE1-O 3.12Å; Q101-Y113 HydrophobicContact CB-CD1 4.46Å; Q101-Y113 HydrophobicContact CB-CE1 4.38Å; Q101-Y113 HydrophobicContact CG-CD1 4.3Å; Q101-Y113 HydrophobicContact CG-CE1 4.39Å; Q101-T114 PolarHBondContact NE2-OG1 2.66Å; Q101-Y169 VanDerWaalsContact O-CD2 3.31Å; Q101-Y169 WeakPolarHBondContact O-CD2 3.41Å
102	S	94.5	Very high	97.6	Very high	55 Å²	55	39.7 Å²	39.7	39%	0.385	22%	0.218	S	C	.	.			trans	-95.5	-0	-167.1	58.4	0	0	0	0	115.4	A100	A100-S102 PolarHBondContact O-N 3.24Å
103	H	95.7	Very high	97.6	Very high	32 Å²	32	43.7 Å²	43.7	15%	0.148	23%	0.233	C	C	.	.			trans	-91.8	108.1	-176.9	-164.1	-72.3	0	0	0	111.5	Q101 K105 V106 S107 T207 F208	Q101-H103 PolarHBondContact NE2-O 3.3Å; Q101-H103 PolarHBondContact OE1-O 3.12Å; H103-K105 PolarHBondContact ND1-N 3.11Å; H103-K105 PolarHBondContact O-N 3.02Å; H103-V106 HydrophobicContact CB-CB 4.06Å; H103-V106 HydrophobicContact CB-CG2 4.01Å; H103-V106 PolarHBondContact ND1-N 3.33Å; H103-V106 PolarHBondContact O-N 3.09Å; H103-S107 PolarHBondContact O-N 2.89Å; H103-S107 VanDerWaalsContact O-N 3.1Å; H103-T207 PolarHBondContact CD2-OG1 2.75Å; H103-T207 PolarHBondContact NE2-O 2.97Å; H103-T207 PolarHBondContact NE2-OG1 2.92Å; H103-F208 HydrophobicContact CB-CZ 4.47Å
104	V	96.6	Very high	97.6	Very high	12 Å²	12	41.4 Å²	41.4	7%	0.073	22%	0.221	C	C	.	.	H	α-helix	trans	-53.8	-49.2	-174.9	-179.4	0	0	0	0	112.4	V106 S107 F108 E147 Y169	V104-V106 VanDerWaalsContact C-N 3.31Å; V104-V106 PolarHBondContact O-N 3.06Å; V104-S107 WeakPolarHBondContact O-CB 3.5Å; V104-S107 PolarHBondContact O-N 3.47Å; V104-S107 VanDerWaalsContact O-N 3.17Å; V104-S107 PolarHBondContact O-OG 3.19Å; V104-F108 HydrophobicContact CG1-CE2 4.4Å; V104-F108 WeakPolarHBondContact O-CD2 3.33Å; V104-E147 HydrophobicContact CG2-CG 4.28Å; V104-Y169 HydrophobicContact CG2-CD1 3.88Å; V104-Y169 HydrophobicContact CG2-CE1 4.33Å; V104-Y169 HydrophobicContact CG2-CG 4.48Å
105	K	96.2	Very high	97.6	Very high	52 Å²	52	42.4 Å²	42.4	23%	0.226	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-37.9	179.2	179.9	68	-177.7	81	0	112.9	H103 S107 F108 D109 F314 R315	H103-K105 PolarHBondContact ND1-N 3.11Å; H103-K105 PolarHBondContact O-N 3.02Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.85Å; K105-F108 PolarHBondContact O-N 2.68Å; K105-D109 IonicContact NZ-OD2 3.96Å; K105-F314 WeakPolarHBondContact CD-O 3.23Å; K105-F314 WeakPolarHBondContact CE-O 3.49Å; K105-R315 HydrophobicContact CB-CG 4.41Å; K105-R315 HydrophobicContact CD-CG 4.06Å
106	V	96.8	Very high	97.6	Very high	51 Å²	51	45.9 Å²	45.9	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-72	-26.9	-178	172.2	0	0	0	0	110.2	H103 V104 F108 D109 L110	H103-V106 HydrophobicContact CB-CB 4.06Å; H103-V106 HydrophobicContact CB-CG2 4.01Å; H103-V106 PolarHBondContact ND1-N 3.33Å; H103-V106 PolarHBondContact O-N 3.09Å; V104-V106 VanDerWaalsContact C-N 3.31Å; V104-V106 PolarHBondContact O-N 3.06Å; V106-F108 PolarHBondContact O-N 3Å; V106-D109 PolarHBondContact O-N 3.36Å; V106-L110 HydrophobicContact CG1-CB 4.39Å; V106-L110 HydrophobicContact CG1-CD1 3.84Å; V106-L110 HydrophobicContact CG1-CG 4.27Å; V106-L110 PolarHBondContact O-N 3.14Å
107	S	98	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-22.4	177.7	77.5	0	0	0	0	113.9	H103 V104 K105 D109 L110 S111 P168 Y169	H103-S107 PolarHBondContact O-N 2.89Å; H103-S107 VanDerWaalsContact O-N 3.1Å; V104-S107 WeakPolarHBondContact O-CB 3.5Å; V104-S107 PolarHBondContact O-N 3.47Å; V104-S107 VanDerWaalsContact O-N 3.17Å; V104-S107 PolarHBondContact O-OG 3.19Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.85Å; S107-D109 VanDerWaalsContact C-N 3.35Å; S107-L110 CarbonylContact O-C 3.51Å; S107-S111 WeakPolarHBondContact O-CA 3.42Å; S107-S111 WeakPolarHBondContact O-CB 3.43Å; S107-S111 PolarHBondContact O-N 3.39Å; S107-S111 VanDerWaalsContact O-N 3.16Å; S107-P168 WeakPolarHBondContact O-CB 3.17Å; S107-P168 WeakPolarHBondContact O-CG 3.42Å; S107-Y169 WeakPolarHBondContact OG-CB 3.44Å; S107-Y169 PolarHBondContact OG-N 3.36Å
108	F	97.6	Very high	97.5	Very high	50 Å²	50	46.2 Å²	46.2	22%	0.219	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.2	172.5	-69.8	-85.1	0	0	0	112.2	V104 K105 V106 P168 R315 P316	V104-F108 HydrophobicContact CG1-CE2 4.4Å; V104-F108 WeakPolarHBondContact O-CD2 3.33Å; K105-F108 PolarHBondContact O-N 2.68Å; V106-F108 PolarHBondContact O-N 3Å; F108-P168 HydrophobicContact CD1-CG 4.33Å; F108-R315 HydrophobicContact CE2-CB 4.05Å; F108-R315 HydrophobicContact CE2-CG 4.32Å; F108-R315 HydrophobicContact CZ-CB 4.49Å; F108-P316 HydrophobicContact CB-CG 4.43Å; F108-P316 HydrophobicContact CD1-CB 4.09Å; F108-P316 HydrophobicContact CD1-CG 3.68Å; F108-P316 HydrophobicContact CD2-CG 4.47Å; F108-P316 HydrophobicContact CE1-CB 3.93Å; F108-P316 HydrophobicContact CE1-CG 3.97Å; F108-P316 HydrophobicContact CG-CG 3.95Å; F108-P316 HydrophobicContact CZ-CB 4.5Å; F108-P316 HydrophobicContact CZ-CG 4.47Å
109	D	97.5	Very high	97.5	Very high	113 Å²	113	45.7 Å²	45.7	60%	0.604	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-26.8	-179.7	-55.6	-51.6	0	0	0	112.2	K105 V106 S107	K105-D109 IonicContact NZ-OD2 3.96Å; V106-D109 PolarHBondContact O-N 3.36Å; S107-D109 VanDerWaalsContact C-N 3.35Å
110	L	97.4	Very high	97.6	Very high	90 Å²	90	47.5 Å²	47.5	47%	0.471	26%	0.255	S	S	.	.	S	Bend	trans	-123.3	52	179.8	-65.5	179.4	0	0	0	111.5	V106 S107 T114	V106-L110 HydrophobicContact CG1-CB 4.39Å; V106-L110 HydrophobicContact CG1-CD1 3.84Å; V106-L110 HydrophobicContact CG1-CG 4.27Å; V106-L110 PolarHBondContact O-N 3.14Å; S107-L110 CarbonylContact O-C 3.51Å; L110-T114 VanDerWaalsContact O-CB 3.31Å; L110-T114 WeakPolarHBondContact O-CB 3.36Å; L110-T114 PolarHBondContact O-N 3.26Å; L110-T114 PolarHBondContact O-OG1 3.17Å
111	S	97.6	Very high	97.7	Very high	59 Å²	59	46 Å²	46	41%	0.413	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-49.3	-173.3	56	0	0	0	0	113.1	S107 T114 G115	S107-S111 WeakPolarHBondContact O-CA 3.42Å; S107-S111 WeakPolarHBondContact O-CB 3.43Å; S107-S111 PolarHBondContact O-N 3.39Å; S107-S111 VanDerWaalsContact O-N 3.16Å; S111-T114 WeakPolarHBondContact O-CB 3.49Å; S111-T114 PolarHBondContact O-N 3.03Å; S111-G115 PolarHBondContact O-N 2.73Å
112	E	98.4	Very high	97.7	Very high	168 Å²	168	44.7 Å²	44.7	79%	0.785	24%	0.237	S	C	*	.	H	α-helix	trans	-60.2	-50.1	178.7	-68.1	-178.8	178.9	0	0	111.8	T114 G115 E116	E112-T114 VanDerWaalsContact C-N 3.26Å; E112-T114 PolarHBondContact O-N 2.77Å; E112-G115 WeakPolarHBondContact O-CA 3.27Å; E112-G115 PolarHBondContact O-N 2.69Å; E112-G115 VanDerWaalsContact O-N 3.09Å; E112-E116 PolarHBondContact O-N 3.13Å
113	Y	98.5	Very high	98	Very high	85 Å²	85	43.9 Å²	43.9	33%	0.333	23%	0.228	S	C	.	.	H	α-helix	trans	-61.1	-37.1	176.9	-179.2	-106.1	0	0	0	112	R45 Q101 E116 V117	R45-Y113 PolarHBondContact NH1-OH 3.14Å; Q101-Y113 HydrophobicContact CB-CD1 4.46Å; Q101-Y113 HydrophobicContact CB-CE1 4.38Å; Q101-Y113 HydrophobicContact CG-CD1 4.3Å; Q101-Y113 HydrophobicContact CG-CE1 4.39Å; Y113-E116 PolarHBondContact O-N 2.63Å; Y113-V117 HydrophobicContact CD1-CG2 4.36Å; Y113-V117 HydrophobicContact CD2-CG2 4.15Å; Y113-V117 HydrophobicContact CE1-CG2 3.88Å; Y113-V117 HydrophobicContact CE2-CG2 3.63Å; Y113-V117 HydrophobicContact CG-CG2 4.49Å; Y113-V117 VanDerWaalsContact CZ-CG2 3.48Å; Y113-V117 WeakPolarHBondContact O-CG2 3.42Å; Y113-V117 PolarHBondContact O-N 3.31Å
114	T	98.6	Very high	98.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-43.3	174.7	-57.9	0	0	0	0	110.9	Q101 L110 S111 E112 V118 Y169 A172	Q101-T114 PolarHBondContact NE2-OG1 2.66Å; L110-T114 VanDerWaalsContact O-CB 3.31Å; L110-T114 WeakPolarHBondContact O-CB 3.36Å; L110-T114 PolarHBondContact O-N 3.26Å; L110-T114 PolarHBondContact O-OG1 3.17Å; S111-T114 WeakPolarHBondContact O-CB 3.49Å; S111-T114 PolarHBondContact O-N 3.03Å; E112-T114 VanDerWaalsContact C-N 3.26Å; E112-T114 PolarHBondContact O-N 2.77Å; T114-V118 HydrophobicContact CG2-CG2 4.07Å; T114-V118 WeakPolarHBondContact O-CB 3.4Å; T114-V118 WeakPolarHBondContact O-CG2 3.47Å; T114-V118 PolarHBondContact O-N 2.88Å; T114-Y169 HydrophobicContact CG2-CD2 4.44Å; T114-A172 HydrophobicContact CG2-CB 4.44Å
115	G	98.6	Very high	98.2	Very high	23 Å²	23	44.2 Å²	44.2	24%	0.237	23%	0.227	C	C	.	.	I	π-helix	trans	-60.3	-48.2	173.5	0	0	0	0	0	112.7	S111 E112 V117 A119 L120	S111-G115 PolarHBondContact O-N 2.73Å; E112-G115 WeakPolarHBondContact O-CA 3.27Å; E112-G115 PolarHBondContact O-N 2.69Å; E112-G115 VanDerWaalsContact O-N 3.09Å; G115-V117 PolarHBondContact O-N 3.26Å; G115-A119 WeakPolarHBondContact O-CA 3.37Å; G115-A119 VanDerWaalsContact O-CB 3.24Å; G115-A119 WeakPolarHBondContact O-CB 3.3Å; G115-A119 PolarHBondContact O-N 3.32Å; G115-L120 PolarHBondContact O-N 3.31Å; G115-L120 VanDerWaalsContact O-N 3.12Å
116	E	98.5	Very high	98.3	Very high	74 Å²	74	41.7 Å²	41.7	35%	0.346	22%	0.216	S	C	.	.	I	π-helix	trans	-58	-45.1	179.7	-81.3	-61	150.9	0	0	113.2	T78 E112 Y113 L120 G121 R124	T78-E116 HydrophobicContact CG2-CB 4.25Å; E112-E116 PolarHBondContact O-N 3.13Å; Y113-E116 PolarHBondContact O-N 2.63Å; E116-L120 WeakPolarHBondContact OE1-CD1 3.24Å; E116-G121 PolarHBondContact O-N 2.91Å; E116-R124 PolarHBondContact O-NH1 3.48Å; E116-R124 IonicContact OE2-CZ 2.72Å; E116-R124 IonicContact OE2-NH1 3.49Å; E116-R124 PolarHBondContact OE2-NH1 3.32Å; E116-R124 VanDerWaalsContact OE2-NH1 3.13Å; E116-R124 IonicContact OE2-NH2 2.84Å; E116-R124 PolarHBondContact OE2-NH2 3.04Å
117	V	98.5	Very high	98.4	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.042	22%	0.217	C	C	.	.	I	π-helix	trans	-78.4	-48.8	-178.2	174	0	0	0	0	111.6	M77 T78 Y113 G115 G121	M77-V117 HydrophobicContact CB-CG1 4.13Å; M77-V117 HydrophobicContact CG-CG1 4.39Å; T78-V117 HydrophobicContact CG2-CG2 3.78Å; Y113-V117 HydrophobicContact CD1-CG2 4.36Å; Y113-V117 HydrophobicContact CD2-CG2 4.15Å; Y113-V117 HydrophobicContact CE1-CG2 3.88Å; Y113-V117 HydrophobicContact CE2-CG2 3.63Å; Y113-V117 HydrophobicContact CG-CG2 4.49Å; Y113-V117 VanDerWaalsContact CZ-CG2 3.48Å; Y113-V117 WeakPolarHBondContact O-CG2 3.42Å; Y113-V117 PolarHBondContact O-N 3.31Å; G115-V117 PolarHBondContact O-N 3.26Å; V117-G121 WeakPolarHBondContact O-CA 3.38Å
118	V	98.7	Very high	98.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	22%	0.217	C	C	.	.	I	π-helix	trans	-84.1	-45.5	-168.1	-180	0	0	0	0	111.6	A100 T114 T122 A172 K173	A100-V118 HydrophobicContact CB-CG2 3.9Å; T114-V118 HydrophobicContact CG2-CG2 4.07Å; T114-V118 WeakPolarHBondContact O-CB 3.4Å; T114-V118 WeakPolarHBondContact O-CG2 3.47Å; T114-V118 PolarHBondContact O-N 2.88Å; V118-T122 PolarHBondContact O-OG1 3.31Å; V118-A172 HydrophobicContact CB-CB 3.88Å; V118-A172 HydrophobicContact CG1-CB 3.99Å; V118-K173 HydrophobicContact CG1-CD 3.53Å; V118-K173 HydrophobicContact CG1-CG 3.76Å
119	A	98.7	Very high	98.5	Very high	9 Å²	9	39.9 Å²	39.9	7%	0.074	21%	0.207	C	C	.	.	I	π-helix	trans	-83.4	-68.9	-179.2	0	0	0	0	0	110.7	G115 G121 T122 L123 A172 Y175	G115-A119 WeakPolarHBondContact O-CA 3.37Å; G115-A119 VanDerWaalsContact O-CB 3.24Å; G115-A119 WeakPolarHBondContact O-CB 3.3Å; G115-A119 PolarHBondContact O-N 3.32Å; A119-G121 VanDerWaalsContact C-N 3.34Å; A119-G121 PolarHBondContact O-N 3.05Å; A119-T122 WeakPolarHBondContact O-CB 3.45Å; A119-T122 PolarHBondContact O-N 3.28Å; A119-T122 VanDerWaalsContact O-N 3.14Å; A119-L123 PolarHBondContact O-N 3.49Å; A119-A172 HydrophobicContact CB-CB 4.07Å; A119-Y175 HydrophobicContact CB-CD1 3.44Å; A119-Y175 VanDerWaalsContact CB-CD1 3.44Å; A119-Y175 HydrophobicContact CB-CE1 4.17Å; A119-Y175 HydrophobicContact CB-CG 3.77Å
120	L	98.7	Very high	98.5	Very high	56 Å²	56	38.4 Å²	38.4	29%	0.293	19%	0.193	S	C	.	.	I	π-helix	trans	-68.8	-31.4	-174.6	-63.9	-176.2	0	0	0	112.6	G115 E116 T122 L123 R124 Y175	G115-L120 PolarHBondContact O-N 3.31Å; G115-L120 VanDerWaalsContact O-N 3.12Å; E116-L120 WeakPolarHBondContact OE1-CD1 3.24Å; L120-T122 VanDerWaalsContact C-N 3.27Å; L120-T122 PolarHBondContact O-N 3.21Å; L120-L123 HydrophobicContact CD2-CD2 4.49Å; L120-L123 WeakPolarHBondContact O-CB 3.45Å; L120-L123 PolarHBondContact O-N 3Å; L120-R124 VanDerWaalsContact O-CG 3.32Å; L120-R124 WeakPolarHBondContact O-CG 3.29Å; L120-R124 PolarHBondContact O-N 2.78Å; L120-Y175 HydrophobicContact CD2-CE1 4.39Å
121	G	98.8	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-36	172.5	0	0	0	0	0	113.3	M77 E116 V117 A119 R124 L125	M77-G121 VanDerWaalsContact CE-O 3.23Å; M77-G121 WeakPolarHBondContact CE-O 3.44Å; M77-G121 VanDerWaalsContact O-CA 3.27Å; M77-G121 WeakPolarHBondContact O-CA 3.32Å; E116-G121 PolarHBondContact O-N 2.91Å; V117-G121 WeakPolarHBondContact O-CA 3.38Å; A119-G121 VanDerWaalsContact C-N 3.34Å; A119-G121 PolarHBondContact O-N 3.05Å; G121-R124 PolarHBondContact O-N 3.16Å; G121-L125 WeakPolarHBondContact O-CB 2.94Å; G121-L125 PolarHBondContact O-N 3.26Å; G121-L125 VanDerWaalsContact O-N 3.08Å
122	T	98.9	Very high	98.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-46	173.8	-57.6	0	0	0	0	110.9	N97 V118 A119 L120 L125 L126 F140 Q142 A176 I179 V180	N97-T122 PolarHBondContact ND2-OG1 2.68Å; V118-T122 PolarHBondContact O-OG1 3.31Å; A119-T122 WeakPolarHBondContact O-CB 3.45Å; A119-T122 PolarHBondContact O-N 3.28Å; A119-T122 VanDerWaalsContact O-N 3.14Å; L120-T122 VanDerWaalsContact C-N 3.27Å; L120-T122 PolarHBondContact O-N 3.21Å; T122-L125 PolarHBondContact O-N 3Å; T122-L126 HydrophobicContact CG2-CD1 4.32Å; T122-L126 WeakPolarHBondContact O-CG 3.4Å; T122-L126 PolarHBondContact O-N 2.76Å; T122-L126 VanDerWaalsContact O-N 3.12Å; T122-F140 HydrophobicContact CG2-CZ 4.47Å; T122-Q142 VanDerWaalsContact CG2-OE1 3.31Å; T122-Q142 PolarHBondContact OG1-NE2 3.2Å; T122-A176 HydrophobicContact CG2-CB 4.1Å; T122-I179 HydrophobicContact CG2-CG2 4.11Å; T122-V180 HydrophobicContact CG2-CG2 3.82Å
123	L	98.8	Very high	98.6	Very high	38 Å²	38	37 Å²	37	20%	0.199	18%	0.183	C	C	.	.	H	α-helix	trans	-58.4	-49.3	174.5	170.5	61.4	0	0	0	111.5	A119 L120 L125 L126 D127 Y175 I179 Y183	A119-L123 PolarHBondContact O-N 3.49Å; L120-L123 HydrophobicContact CD2-CD2 4.49Å; L120-L123 WeakPolarHBondContact O-CB 3.45Å; L120-L123 PolarHBondContact O-N 3Å; L123-L125 PolarHBondContact O-N 3.47Å; L123-L126 PolarHBondContact O-N 2.99Å; L123-L126 VanDerWaalsContact O-N 3.11Å; L123-D127 WeakPolarHBondContact CD1-OD2 3.13Å; L123-D127 PolarHBondContact O-N 2.76Å; L123-Y175 HydrophobicContact CB-CE1 4.35Å; L123-Y175 WeakPolarHBondContact CD2-OH 3.22Å; L123-I179 HydrophobicContact CB-CG1 4.34Å; L123-I179 HydrophobicContact CD1-CD1 4.19Å; L123-I179 HydrophobicContact CD1-CG1 3.93Å; L123-Y183 HydrophobicContact CD1-CE2 3.89Å; L123-Y183 VanDerWaalsContact CD1-OH 3.3Å; L123-Y183 WeakPolarHBondContact CD1-OH 3.39Å
124	R	98.8	Very high	98.6	Very high	50 Å²	50	33.5 Å²	33.5	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-56.4	-38.9	179.2	-71	175.6	-174.6	109	3.5	112.2	M77 S80 L83 E116 L120 G121 A128	M77-R124 WeakPolarHBondContact O-CD 3.25Å; S80-R124 WeakPolarHBondContact OG-CD 3.37Å; S80-R124 WeakPolarHBondContact OG-CG 3.4Å; L83-R124 HydrophobicContact CD1-CB 3.92Å; E116-R124 PolarHBondContact O-NH1 3.48Å; E116-R124 IonicContact OE2-CZ 2.72Å; E116-R124 IonicContact OE2-NH1 3.49Å; E116-R124 PolarHBondContact OE2-NH1 3.32Å; E116-R124 VanDerWaalsContact OE2-NH1 3.13Å; E116-R124 IonicContact OE2-NH2 2.84Å; E116-R124 PolarHBondContact OE2-NH2 3.04Å; L120-R124 VanDerWaalsContact O-CG 3.32Å; L120-R124 WeakPolarHBondContact O-CG 3.29Å; L120-R124 PolarHBondContact O-N 2.78Å; G121-R124 PolarHBondContact O-N 3.16Å; R124-A128 VanDerWaalsContact O-CB 3.28Å; R124-A128 WeakPolarHBondContact O-CB 3.35Å; R124-A128 PolarHBondContact O-N 3.17Å
125	L	98.7	Very high	98.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-41.3	179	-167.7	64.1	0	0	0	111.8	T19 M77 L83 I87 I95 N97 G121 T122 L123 A128 I129 F140	T19-L125 HydrophobicContact CG2-CD1 4.45Å; T19-L125 HydrophobicContact CG2-CD2 3.81Å; M77-L125 HydrophobicContact CE-CB 4.27Å; M77-L125 HydrophobicContact CE-CD2 4.21Å; L83-L125 HydrophobicContact CB-CD1 4.49Å; L83-L125 HydrophobicContact CD1-CB 4.43Å; L83-L125 HydrophobicContact CD1-CD1 4.32Å; L83-L125 HydrophobicContact CD2-CD1 4.22Å; I87-L125 HydrophobicContact CD1-CD1 3.66Å; I95-L125 HydrophobicContact CG2-CD2 4.02Å; N97-L125 HydrophobicContact CB-CD2 3.81Å; G121-L125 WeakPolarHBondContact O-CB 2.94Å; G121-L125 PolarHBondContact O-N 3.26Å; G121-L125 VanDerWaalsContact O-N 3.08Å; T122-L125 PolarHBondContact O-N 3Å; L123-L125 PolarHBondContact O-N 3.47Å; L125-A128 PolarHBondContact O-N 3.25Å; L125-I129 WeakPolarHBondContact O-CG1 3.31Å; L125-I129 PolarHBondContact O-N 2.92Å; L125-I129 VanDerWaalsContact O-N 3.09Å; L125-F140 HydrophobicContact CD2-CE2 3.61Å; L125-F140 HydrophobicContact CD2-CZ 4.12Å; L125-F140 HydrophobicContact CG-CE2 3.96Å
126	L	98.8	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-41.7	174.1	-68.2	168.7	0	0	0	112.2	T122 L123 A128 I129 R130 F140 I179 V180 Y183 M189	T122-L126 HydrophobicContact CG2-CD1 4.32Å; T122-L126 WeakPolarHBondContact O-CG 3.4Å; T122-L126 PolarHBondContact O-N 2.76Å; T122-L126 VanDerWaalsContact O-N 3.12Å; L123-L126 PolarHBondContact O-N 2.99Å; L123-L126 VanDerWaalsContact O-N 3.11Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-I129 WeakPolarHBondContact O-CB 3.43Å; L126-I129 PolarHBondContact O-N 3.46Å; L126-R130 PolarHBondContact O-N 3.08Å; L126-F140 HydrophobicContact CD2-CD1 3.85Å; L126-F140 HydrophobicContact CD2-CD2 4.18Å; L126-F140 HydrophobicContact CD2-CE1 3.85Å; L126-F140 HydrophobicContact CD2-CE2 4.17Å; L126-F140 HydrophobicContact CD2-CG 4Å; L126-F140 HydrophobicContact CD2-CZ 4.02Å; L126-F140 HydrophobicContact CG-CE1 4.4Å; L126-F140 HydrophobicContact CG-CZ 4.29Å; L126-I179 HydrophobicContact CD1-CG1 4.49Å; L126-I179 HydrophobicContact CD1-CG2 4.18Å; L126-V180 HydrophobicContact CD1-CG2 3.96Å; L126-Y183 HydrophobicContact CB-CD1 3.61Å; L126-Y183 HydrophobicContact CB-CE1 3.48Å; L126-Y183 VanDerWaalsContact CB-CE1 3.48Å; L126-Y183 HydrophobicContact CB-CG 4.23Å; L126-Y183 HydrophobicContact CD1-CD1 4.17Å; L126-Y183 HydrophobicContact CD1-CD2 4.11Å; L126-Y183 HydrophobicContact CD1-CE2 4.5Å; L126-Y183 HydrophobicContact CD1-CG 3.93Å; L126-Y183 HydrophobicContact CD2-CD1 4.27Å; L126-Y183 HydrophobicContact CG-CD1 4.24Å; L126-Y183 HydrophobicContact CG-CG 4.47Å; L126-M189 HydrophobicContact CD2-CE 3.94Å
127	D	98.4	Very high	98.4	Very high	62 Å²	62	42.9 Å²	42.9	33%	0.332	21%	0.212	S	C	.	.	H	α-helix	trans	-64.2	-38.3	173.9	-91	-36.7	0	0	0	111.9	L123 I129 R130 T131 Y183	L123-D127 WeakPolarHBondContact CD1-OD2 3.13Å; L123-D127 PolarHBondContact O-N 2.76Å; D127-I129 VanDerWaalsContact C-N 3.33Å; D127-I129 PolarHBondContact O-N 3.44Å; D127-R130 PolarHBondContact O-N 2.87Å; D127-T131 VanDerWaalsContact O-CB 3.31Å; D127-T131 WeakPolarHBondContact O-CB 3.3Å; D127-T131 PolarHBondContact O-N 2.85Å; D127-T131 PolarHBondContact O-OG1 2.97Å; D127-Y183 VanDerWaalsContact CG-OH 3.25Å; D127-Y183 PolarHBondContact OD1-OH 3.27Å
128	A	98.7	Very high	98.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-38.4	176.1	0	0	0	0	0	112	L83 I84 I87 R124 L125 L126 T131 C132	L83-A128 HydrophobicContact CB-CB 4.26Å; I84-A128 HydrophobicContact CG1-CB 3.66Å; I87-A128 HydrophobicContact CD1-CB 3.62Å; R124-A128 VanDerWaalsContact O-CB 3.28Å; R124-A128 WeakPolarHBondContact O-CB 3.35Å; R124-A128 PolarHBondContact O-N 3.17Å; L125-A128 PolarHBondContact O-N 3.25Å; L126-A128 VanDerWaalsContact C-N 3.33Å; A128-T131 PolarHBondContact O-N 2.95Å; A128-C132 WeakPolarHBondContact O-CB 3.3Å; A128-C132 PolarHBondContact O-N 2.96Å; A128-C132 PolarHBondContact O-SG 3.2Å
129	I	98.7	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-50.4	173	-71.8	165.4	0	0	0	110.9	I87 I95 L125 L126 D127 C132 K133 L134 V138 F140 M189	I87-I129 HydrophobicContact CD1-CG1 4.15Å; I95-I129 HydrophobicContact CD1-CD1 3.58Å; I95-I129 HydrophobicContact CD1-CG1 3.58Å; L125-I129 WeakPolarHBondContact O-CG1 3.31Å; L125-I129 PolarHBondContact O-N 2.92Å; L125-I129 VanDerWaalsContact O-N 3.09Å; L126-I129 WeakPolarHBondContact O-CB 3.43Å; L126-I129 PolarHBondContact O-N 3.46Å; D127-I129 VanDerWaalsContact C-N 3.33Å; D127-I129 PolarHBondContact O-N 3.44Å; I129-C132 CarbonylContact O-C 3.6Å; I129-C132 PolarHBondContact O-N 3.27Å; I129-K133 PolarHBondContact O-N 2.77Å; I129-L134 HydrophobicContact CG2-CB 4.03Å; I129-L134 PolarHBondContact O-N 2.98Å; I129-V138 HydrophobicContact CB-CG1 4.4Å; I129-V138 HydrophobicContact CD1-CG1 4.06Å; I129-V138 HydrophobicContact CG1-CG1 4.16Å; I129-V138 HydrophobicContact CG2-CG1 3.38Å; I129-F140 HydrophobicContact CD1-CD2 3.56Å; I129-F140 HydrophobicContact CD1-CE2 4.11Å; I129-F140 HydrophobicContact CD1-CG 4.38Å; I129-M189 HydrophobicContact CB-CE 4.35Å; I129-M189 HydrophobicContact CD1-CE 4.25Å; I129-M189 HydrophobicContact CG2-CE 3.7Å
130	R	98.3	Very high	98.4	Very high	81 Å²	81	44.6 Å²	44.6	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-65.6	-40.2	179.1	-69.2	-177.6	66.4	-149.8	1.7	112.4	L126 D127 C132 K133 E135 Y183 Y187 M189	L126-R130 PolarHBondContact O-N 3.08Å; D127-R130 PolarHBondContact O-N 2.87Å; R130-C132 PolarHBondContact O-N 2.78Å; R130-K133 WeakPolarHBondContact O-CA 3.37Å; R130-K133 PolarHBondContact O-N 3.29Å; R130-E135 HydrophobicContact CG-CB 3.98Å; R130-Y183 VanDerWaalsContact CD-CE1 3.43Å; R130-Y183 HydrophobicContact CG-CE1 4.27Å; R130-Y187 VanDerWaalsContact CZ-CE1 3.48Å; R130-Y187 VanDerWaalsContact NH1-CE2 3.3Å; R130-Y187 PolarHBondContact NH1-OH 3.24Å; R130-Y187 VanDerWaalsContact NH1-OH 3.11Å; R130-Y187 VanDerWaalsContact NH2-CE1 3.3Å; R130-M189 HydrophobicContact CG-SD 4.16Å
131	T	98.2	Very high	98.4	Very high	87 Å²	87	42 Å²	42	53%	0.534	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-36.3	176	-59.8	0	0	0	0	111.2	I84 D127 A128 K133	I84-T131 HydrophobicContact CD1-CG2 4.32Å; I84-T131 HydrophobicContact CG2-CG2 4.41Å; D127-T131 VanDerWaalsContact O-CB 3.31Å; D127-T131 WeakPolarHBondContact O-CB 3.3Å; D127-T131 PolarHBondContact O-N 2.85Å; D127-T131 PolarHBondContact O-OG1 2.97Å; A128-T131 PolarHBondContact O-N 2.95Å; T131-K133 VanDerWaalsContact C-N 3.26Å; T131-K133 PolarHBondContact O-N 3.45Å
132	C	98.3	Very high	98.4	Very high	25 Å²	25	42 Å²	42	17%	0.169	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	3.7	175.2	-60.7	0	0	0	0	113.8	I87 A128 I129 R130 L134	I87-C132 HydrophobicContact CG2-CB 3.91Å; A128-C132 WeakPolarHBondContact O-CB 3.3Å; A128-C132 PolarHBondContact O-N 2.96Å; A128-C132 PolarHBondContact O-SG 3.2Å; I129-C132 CarbonylContact O-C 3.6Å; I129-C132 PolarHBondContact O-N 3.27Å; R130-C132 PolarHBondContact O-N 2.78Å; C132-L134 VanDerWaalsContact C-N 3.3Å; C132-L134 HydrophobicContact CB-CD1 4.1Å; C132-L134 HydrophobicContact CB-CG 4.08Å; C132-L134 PolarHBondContact O-N 3.35Å
133	K	97.9	Very high	98.4	Very high	176 Å²	176	42.6 Å²	42.6	77%	0.765	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	36.5	-178.3	-54.9	-178	179.6	-179	0	113.8	I129 R130 T131 E135	I129-K133 PolarHBondContact O-N 2.77Å; R130-K133 WeakPolarHBondContact O-CA 3.37Å; R130-K133 PolarHBondContact O-N 3.29Å; T131-K133 VanDerWaalsContact C-N 3.26Å; T131-K133 PolarHBondContact O-N 3.45Å; K133-E135 VanDerWaalsContact CA-OE2 3.23Å; K133-E135 WeakPolarHBondContact CA-OE2 3.18Å
134	L	98.3	Very high	98.4	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.058	20%	0.202	C	C	.	.			trans	-102.9	1.3	-177.9	-66.8	-180	0	0	0	113.3	I87 M91 I129 C132 K136 T137 V138	I87-L134 HydrophobicContact CG2-CD1 3.62Å; M91-L134 HydrophobicContact CE-CD2 3.65Å; M91-L134 HydrophobicContact CE-CG 4.48Å; M91-L134 HydrophobicContact SD-CD1 4.2Å; M91-L134 HydrophobicContact SD-CD2 4.28Å; I129-L134 HydrophobicContact CG2-CB 4.03Å; I129-L134 PolarHBondContact O-N 2.98Å; C132-L134 VanDerWaalsContact C-N 3.3Å; C132-L134 HydrophobicContact CB-CD1 4.1Å; C132-L134 HydrophobicContact CB-CG 4.08Å; C132-L134 PolarHBondContact O-N 3.35Å; L134-K136 PolarHBondContact O-N 2.94Å; L134-T137 PolarHBondContact O-N 3.44Å; L134-T137 PolarHBondContact O-OG1 3.23Å; L134-V138 HydrophobicContact CB-CB 4.27Å; L134-V138 HydrophobicContact CB-CG1 4.18Å; L134-V138 WeakPolarHBondContact O-CG1 3.34Å; L134-V138 PolarHBondContact O-N 2.9Å
135	E	97.1	Very high	98.4	Very high	50 Å²	50	39.4 Å²	39.4	23%	0.234	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18	-172.7	69	-82.1	-172.2	0	0	115	R130 K133 M189	R130-E135 HydrophobicContact CG-CB 3.98Å; K133-E135 VanDerWaalsContact CA-OE2 3.23Å; K133-E135 WeakPolarHBondContact CA-OE2 3.18Å; E135-M189 HydrophobicContact CB-CG 3.75Å; E135-M189 HydrophobicContact CB-SD 3.94Å; E135-M189 WeakPolarHBondContact O-CG 3.47Å
136	K	97.5	Very high	98.3	Very high	147 Å²	147	39.4 Å²	39.4	64%	0.639	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-9.4	177.2	-58.2	-51.7	-173.7	178.7	0	114.2	L134 Y187	L134-K136 PolarHBondContact O-N 2.94Å; K136-Y187 PolarHBondContact NZ-O 2.74Å
137	T	97.3	Very high	98.3	Very high	98 Å²	98	39.9 Å²	39.9	60%	0.601	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-35.1	-172.3	53.3	0	0	0	0	112.9	L134	L134-T137 PolarHBondContact O-N 3.44Å; L134-T137 PolarHBondContact O-OG1 3.23Å
138	V	98.4	Very high	98.3	Very high	2 Å²	2	37 Å²	37	1%	0.012	18%	0.184	C	C	.	.			trans	-82.3	141	180	79	0	0	0	0	111.4	P92 D93 I95 I129 L134	P92-V138 HydrophobicContact CG-CG2 4.34Å; P92-V138 WeakPolarHBondContact O-CG2 3.19Å; D93-V138 WeakPolarHBondContact O-CA 3.42Å; I95-V138 HydrophobicContact CB-CG2 4.42Å; I95-V138 HydrophobicContact CD1-CG2 3.74Å; I95-V138 HydrophobicContact CG1-CG2 3.72Å; I129-V138 HydrophobicContact CB-CG1 4.4Å; I129-V138 HydrophobicContact CD1-CG1 4.06Å; I129-V138 HydrophobicContact CG1-CG1 4.16Å; I129-V138 HydrophobicContact CG2-CG1 3.38Å; L134-V138 HydrophobicContact CB-CB 4.27Å; L134-V138 HydrophobicContact CB-CG1 4.18Å; L134-V138 WeakPolarHBondContact O-CG1 3.34Å; L134-V138 PolarHBondContact O-N 2.9Å
139	K	98.8	Very high	98.3	Very high	52 Å²	52	36.9 Å²	36.9	23%	0.226	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132	167.7	-58.7	-165.8	176.5	-167.3	0	110.3	D93 E94 I95 F190 L253 R255	D93-K139 PolarHBondContact O-N 3.39Å; E94-K139 CarbonylContact C-O 3.54Å; E94-K139 WeakPolarHBondContact CA-O 3.43Å; E94-K139 HydrophobicContact CG-CB 4.4Å; I95-K139 PolarHBondContact N-O 3.05Å; K139-F190 CarbonylContact C-O 3.58Å; K139-F190 WeakPolarHBondContact CA-O 3.41Å; K139-F190 HydrophobicContact CB-CB 4.35Å; K139-F190 HydrophobicContact CB-CD1 3.71Å; K139-F190 HydrophobicContact CB-CE1 4.37Å; K139-F190 HydrophobicContact CB-CG 4.16Å; K139-F190 HydrophobicContact CD-CD1 3.76Å; K139-F190 HydrophobicContact CD-CD2 4.11Å; K139-F190 HydrophobicContact CD-CE1 3.91Å; K139-F190 HydrophobicContact CD-CE2 4.22Å; K139-F190 HydrophobicContact CD-CG 3.88Å; K139-F190 HydrophobicContact CD-CZ 4.13Å; K139-F190 HydrophobicContact CG-CB 3.96Å; K139-F190 HydrophobicContact CG-CD1 3.75Å; K139-F190 HydrophobicContact CG-CD2 4.35Å; K139-F190 HydrophobicContact CG-CE1 4.39Å; K139-F190 HydrophobicContact CG-CG 3.74Å; K139-L253 HydrophobicContact CB-CB 4.38Å; K139-L253 HydrophobicContact CB-CD1 4.27Å; K139-L253 HydrophobicContact CB-CD2 4.13Å; K139-L253 HydrophobicContact CD-CB 4.41Å; K139-L253 WeakPolarHBondContact CD-O 3.43Å; K139-L253 WeakPolarHBondContact CE-O 3.19Å; K139-L253 PolarHBondContact NZ-O 3.21Å; K139-R255 PolarHBondContact NZ-O 2.94Å
140	F	98.9	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.1	-172.8	-175.7	-92	0	0	0	111.9	I95 N97 T122 L125 L126 I129 Q142 V180 F190 A191 C192	I95-F140 HydrophobicContact CB-CD2 4.01Å; I95-F140 HydrophobicContact CG2-CD2 3.77Å; I95-F140 HydrophobicContact CG2-CE2 3.85Å; I95-F140 WeakPolarHBondContact O-CA 3.27Å; N97-F140 HydrophobicContact CB-CE1 4.48Å; N97-F140 HydrophobicContact CB-CE2 4.12Å; N97-F140 HydrophobicContact CB-CZ 3.69Å; T122-F140 HydrophobicContact CG2-CZ 4.47Å; L125-F140 HydrophobicContact CD2-CE2 3.61Å; L125-F140 HydrophobicContact CD2-CZ 4.12Å; L125-F140 HydrophobicContact CG-CE2 3.96Å; L126-F140 HydrophobicContact CD2-CD1 3.85Å; L126-F140 HydrophobicContact CD2-CD2 4.18Å; L126-F140 HydrophobicContact CD2-CE1 3.85Å; L126-F140 HydrophobicContact CD2-CE2 4.17Å; L126-F140 HydrophobicContact CD2-CG 4Å; L126-F140 HydrophobicContact CD2-CZ 4.02Å; L126-F140 HydrophobicContact CG-CE1 4.4Å; L126-F140 HydrophobicContact CG-CZ 4.29Å; I129-F140 HydrophobicContact CD1-CD2 3.56Å; I129-F140 HydrophobicContact CD1-CE2 4.11Å; I129-F140 HydrophobicContact CD1-CG 4.38Å; F140-Q142 HydrophobicContact CE1-CB 4Å; F140-V180 HydrophobicContact CD1-CG2 4.42Å; F140-V180 HydrophobicContact CE1-CG2 3.83Å; F140-F190 PolarHBondContact N-O 3.3Å; F140-A191 HydrophobicContact CB-CB 4.06Å; F140-A191 HydrophobicContact CD1-CB 4.2Å; F140-A191 CarbonylContact O-C 3.39Å; F140-A191 VanDerWaalsContact O-CA 3.3Å; F140-A191 WeakPolarHBondContact O-CA 3.37Å; F140-C192 PolarHBondContact O-N 3.45Å
141	Y	98.9	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.4	171.8	172.4	-91.1	0	0	0	110.4	I95 Y96 N97 L98 A143 L196 M249 M252	I95-Y141 PolarHBondContact O-N 2.97Å; Y96-Y141 AromaticContact CD1-CD1 3.9Å; Y96-Y141 HydrophobicContact CD1-CD1 3.9Å; Y96-Y141 AromaticContact CD1-CG 3.91Å; Y96-Y141 HydrophobicContact CD1-CG 3.91Å; Y96-Y141 HydrophobicContact CE1-CG 4.48Å; N97-Y141 PolarHBondContact N-O 2.98Å; L98-Y141 HydrophobicContact CD2-CD1 3.91Å; L98-Y141 HydrophobicContact CD2-CE1 3.62Å; Y141-A143 HydrophobicContact CE1-CB 4.04Å; Y141-L196 VanDerWaalsContact OH-CD1 3.29Å; Y141-L196 WeakPolarHBondContact OH-CD1 3.38Å; Y141-M249 HydrophobicContact CD1-CB 4.38Å; Y141-M249 HydrophobicContact CD2-CB 4.15Å; Y141-M249 HydrophobicContact CE1-CB 4.13Å; Y141-M249 HydrophobicContact CE1-CE 4.39Å; Y141-M249 HydrophobicContact CE1-CG 3.81Å; Y141-M249 HydrophobicContact CE1-SD 3.83Å; Y141-M249 HydrophobicContact CE2-CB 3.89Å; Y141-M249 HydrophobicContact CE2-CG 3.93Å; Y141-M249 HydrophobicContact CG-CB 4.39Å; Y141-M249 VanDerWaalsContact CZ-CG 3.48Å; Y141-M249 WeakPolarHBondContact OH-CG 3.41Å; Y141-M252 HydrophobicContact CD2-SD 4.17Å; Y141-M252 HydrophobicContact CE2-SD 3.75Å
142	Q	98.9	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.3	169.4	178.7	60.8	16.1	0	0	110.8	N97 T122 F140 S144 V180 C192 N193 G194	N97-Q142 PolarHBondContact ND2-OE1 2.8Å; T122-Q142 VanDerWaalsContact CG2-OE1 3.31Å; T122-Q142 PolarHBondContact OG1-NE2 3.2Å; F140-Q142 HydrophobicContact CE1-CB 4Å; Q142-S144 VanDerWaalsContact C-N 3.26Å; Q142-S144 PolarHBondContact O-N 2.79Å; Q142-V180 HydrophobicContact CB-CG1 4.36Å; Q142-V180 HydrophobicContact CB-CG2 3.86Å; Q142-V180 HydrophobicContact CG-CG2 4.02Å; Q142-C192 PolarHBondContact N-O 3.41Å; Q142-N193 WeakPolarHBondContact CB-OD1 3.44Å; Q142-N193 VanDerWaalsContact CG-OD1 3.31Å; Q142-N193 WeakPolarHBondContact CG-OD1 3.11Å; Q142-G194 PolarHBondContact O-N 2.86Å
143	A	98.7	Very high	97.8	Very high	14 Å²	14	40 Å²	40	12%	0.116	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	82.8	167.1	0	0	0	0	0	110.1	N97 L98 Y141 K173	N97-A143 VanDerWaalsContact O-CB 3.3Å; N97-A143 WeakPolarHBondContact O-CB 3.5Å; N97-A143 PolarHBondContact O-N 3.23Å; L98-A143 HydrophobicContact CD2-CB 3.88Å; Y141-A143 HydrophobicContact CE1-CB 4.04Å; A143-K173 WeakPolarHBondContact O-CE 3.29Å; A143-K173 PolarHBondContact O-NZ 3.33Å
144	S	98.5	Very high	97.7	Very high	7 Å²	7	36.1 Å²	36.1	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-175.5	164.8	-84.1	0	0	0	0	109.8	Q142 N193 G194	Q142-S144 VanDerWaalsContact C-N 3.26Å; Q142-S144 PolarHBondContact O-N 2.79Å; S144-N193 PolarHBondContact OG-OD1 3.21Å; S144-G194 CarbonylContact C-O 3.54Å; S144-G194 VanDerWaalsContact CA-O 3.27Å; S144-G194 WeakPolarHBondContact CA-O 3.32Å; S144-G194 VanDerWaalsContact CB-O 3.26Å; S144-G194 WeakPolarHBondContact CB-O 3.36Å; S144-G194 PolarHBondContact N-O 3.33Å
145	S	98.4	Very high	97.5	Very high	14 Å²	14	39.6 Å²	39.6	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	148.8	-169.5	-175.9	0	0	0	0	112.2	E147 L148 L196	S145-E147 PolarHBondContact O-N 2.95Å; S145-E147 VanDerWaalsContact O-N 3.15Å; S145-E147 PolarHBondContact OG-N 2.88Å; S145-L148 VanDerWaalsContact O-CB 3.3Å; S145-L148 WeakPolarHBondContact O-CB 3.24Å; S145-L148 WeakPolarHBondContact O-CD1 3.41Å; S145-L148 WeakPolarHBondContact O-CG 3.22Å; S145-L148 PolarHBondContact O-N 3.4Å; S145-L148 VanDerWaalsContact O-N 3.07Å; S145-L196 WeakPolarHBondContact CA-O 3.25Å
146	S	98.2	Very high	97.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-56.5	-22.3	168.3	54.7	0	0	0	0	113.9	L148 Y149 L196 F197	S146-L148 PolarHBondContact O-N 3.12Å; S146-Y149 WeakPolarHBondContact O-CB 3.5Å; S146-Y149 VanDerWaalsContact O-CD2 3.29Å; S146-Y149 WeakPolarHBondContact O-CD2 3.34Å; S146-Y149 PolarHBondContact O-N 2.93Å; S146-L196 PolarHBondContact N-O 2.68Å; S146-F197 VanDerWaalsContact CB-CD1 3.48Å
147	E	98.1	Very high	97.6	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.047	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-59.5	-16.6	173.7	-71.5	-76	134.5	0	0	113.3	V104 S145 Y149 G150 Y169 S170	V104-E147 HydrophobicContact CG2-CG 4.28Å; S145-E147 PolarHBondContact O-N 2.95Å; S145-E147 VanDerWaalsContact O-N 3.15Å; S145-E147 PolarHBondContact OG-N 2.88Å; E147-Y149 PolarHBondContact O-N 3.38Å; E147-G150 PolarHBondContact O-N 3.09Å; E147-Y169 HydrophobicContact CB-CD1 4.24Å; E147-Y169 HydrophobicContact CB-CE1 3.92Å; E147-Y169 HydrophobicContact CG-CD1 4.35Å; E147-Y169 HydrophobicContact CG-CE1 3.96Å; E147-S170 WeakPolarHBondContact O-CB 3.4Å
148	L	98.1	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-59.8	-34.2	169.6	-64.8	174.4	0	0	0	112.2	S145 S146 F163 Y164 K173 L174 Y177	S145-L148 VanDerWaalsContact O-CB 3.3Å; S145-L148 WeakPolarHBondContact O-CB 3.24Å; S145-L148 WeakPolarHBondContact O-CD1 3.41Å; S145-L148 WeakPolarHBondContact O-CG 3.22Å; S145-L148 PolarHBondContact O-N 3.4Å; S145-L148 VanDerWaalsContact O-N 3.07Å; S146-L148 PolarHBondContact O-N 3.12Å; L148-F163 HydrophobicContact CB-CD1 3.55Å; L148-F163 HydrophobicContact CB-CE1 3.84Å; L148-F163 HydrophobicContact CB-CG 4.06Å; L148-F163 HydrophobicContact CD1-CE1 4.06Å; L148-F163 HydrophobicContact CD1-CZ 4.06Å; L148-F163 CarbonylContact O-C 3.59Å; L148-F163 WeakPolarHBondContact O-CA 3.32Å; L148-F163 WeakPolarHBondContact O-CB 3.47Å; L148-Y164 CarbonylContact O-C 3.05Å; L148-Y164 PolarHBondContact O-N 3.27Å; L148-K173 HydrophobicContact CD2-CB 3.83Å; L148-L174 VanDerWaalsContact CD2-CA 3.44Å; L148-L174 HydrophobicContact CD2-CB 3.8Å; L148-L174 HydrophobicContact CD2-CD1 4.17Å; L148-L174 VanDerWaalsContact CD2-N 3.31Å; L148-Y177 HydrophobicContact CD1-CD2 3.92Å; L148-Y177 HydrophobicContact CD1-CG 4.33Å
149	Y	98.4	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-26.2	179.4	-58.3	-63.7	0	0	0	112.9	S146 E147 K151 V152 Q157 S158 T161 F163 Y164 I195 F197 V262	S146-Y149 WeakPolarHBondContact O-CB 3.5Å; S146-Y149 VanDerWaalsContact O-CD2 3.29Å; S146-Y149 WeakPolarHBondContact O-CD2 3.34Å; S146-Y149 PolarHBondContact O-N 2.93Å; E147-Y149 PolarHBondContact O-N 3.38Å; Y149-K151 CarbonylContact O-C 3.58Å; Y149-K151 PolarHBondContact O-N 3.49Å; Y149-V152 PolarHBondContact O-N 3.49Å; Y149-Q157 HydrophobicContact CD1-CB 4.07Å; Y149-Q157 HydrophobicContact CD1-CG 4.13Å; Y149-Q157 HydrophobicContact CD2-CB 3.86Å; Y149-Q157 HydrophobicContact CD2-CG 4.06Å; Y149-Q157 HydrophobicContact CE1-CB 4.04Å; Y149-Q157 HydrophobicContact CE2-CB 3.86Å; Y149-Q157 HydrophobicContact CG-CB 3.98Å; Y149-Q157 HydrophobicContact CG-CG 3.84Å; Y149-S158 PolarHBondContact OH-O 2.86Å; Y149-T161 HydrophobicContact CD1-CG2 4.04Å; Y149-T161 HydrophobicContact CE1-CG2 4.23Å; Y149-T161 WeakPolarHBondContact CE1-O 3.4Å; Y149-F163 AromaticContact CD1-CD1 3.76Å; Y149-F163 HydrophobicContact CD1-CD1 3.76Å; Y149-F163 HydrophobicContact CD1-CE1 4.06Å; Y149-F163 AromaticContact CE1-CD1 3.75Å; Y149-F163 HydrophobicContact CE1-CD1 3.75Å; Y149-F163 AromaticContact CE1-CE1 3.57Å; Y149-F163 HydrophobicContact CE1-CE1 3.57Å; Y149-Y164 CarbonylContact C-O 3.59Å; Y149-I195 HydrophobicContact CE2-CG2 3.69Å; Y149-F197 HydrophobicContact CD2-CE2 4.45Å; Y149-F197 AromaticContact CD2-CZ 3.93Å; Y149-F197 HydrophobicContact CD2-CZ 3.93Å; Y149-F197 AromaticContact CE2-CE2 3.9Å; Y149-F197 HydrophobicContact CE2-CE2 3.9Å; Y149-F197 AromaticContact CE2-CZ 3.77Å; Y149-F197 HydrophobicContact CE2-CZ 3.77Å; Y149-V262 VanDerWaalsContact OH-CG2 3.22Å; Y149-V262 WeakPolarHBondContact OH-CG2 3.29Å
150	G	96.9	Very high	97.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.197	C	C	.	.			trans	35	-101.9	176.2	0	0	0	0	0	114.8	E147 V152 Y164	E147-G150 PolarHBondContact O-N 3.09Å; G150-V152 VanDerWaalsContact C-N 3.34Å; G150-V152 PolarHBondContact O-N 3.16Å; G150-Y164 CarbonylContact C-O 3.55Å; G150-Y164 WeakPolarHBondContact CA-O 3.49Å; G150-Y164 PolarHBondContact N-O 2.98Å
151	K	96.4	Very high	97.5	Very high	126 Å²	126	37.3 Å²	37.3	55%	0.548	20%	0.198	S	C	.	.	S	Bend	trans	-77.5	89.1	171.1	-173.7	-178.7	-179.4	-178.5	0	108.9	Y149 V153 Y164 R166	Y149-K151 CarbonylContact O-C 3.58Å; Y149-K151 PolarHBondContact O-N 3.49Å; K151-V153 PolarHBondContact O-N 3.42Å; K151-Y164 HydrophobicContact CB-CD1 3.83Å; K151-Y164 HydrophobicContact CB-CD2 4.46Å; K151-Y164 HydrophobicContact CB-CE1 4.25Å; K151-Y164 HydrophobicContact CB-CG 3.95Å; K151-Y164 PolarHBondContact N-O 3.01Å; K151-Y164 WeakPolarHBondContact O-CB 3.34Å; K151-R166 HydrophobicContact CB-CG 4.06Å
152	V	95	Very high	97.5	Very high	45 Å²	45	40.6 Å²	40.6	27%	0.273	22%	0.219	S	C	.	.			trans	-52.9	133.7	-172.8	-63.3	0	0	0	0	112.8	Y149 G150 Q157 L321 L322	Y149-V152 PolarHBondContact O-N 3.49Å; G150-V152 VanDerWaalsContact C-N 3.34Å; G150-V152 PolarHBondContact O-N 3.16Å; V152-Q157 HydrophobicContact CG1-CG 4.12Å; V152-L321 WeakPolarHBondContact CG1-O 3.28Å; V152-L322 HydrophobicContact CG1-CD2 4.12Å
153	V	94.7	Very high	97.5	Very high	87 Å²	87	42.6 Å²	42.6	53%	0.527	23%	0.228	S	C	.	.	S	Bend	trans	-93.3	-33.9	177.1	-178	0	0	0	0	111.1	K151 P162	K151-V153 PolarHBondContact O-N 3.42Å; V153-P162 HydrophobicContact CG2-CB 4.44Å
154	E	95.9	Very high	97.5	Very high	94 Å²	94	47.4 Å²	47.4	44%	0.439	24%	0.244	S	C	.	.	S	Bend	trans	-133.4	156.2	-179.2	-60.7	169.9	168.4	0	0	109.6	Q157 T161	E154-Q157 WeakPolarHBondContact O-CG 3.45Å; E154-Q157 PolarHBondContact O-NE2 2.91Å; E154-T161 HydrophobicContact CB-CG2 3.86Å; E154-T161 HydrophobicContact CG-CG2 4.26Å; E154-T161 WeakPolarHBondContact OE2-CB 3.48Å; E154-T161 PolarHBondContact OE2-OG1 3.4Å
155	T	94.9	Very high	97.4	Very high	84 Å²	84	48.5 Å²	48.5	52%	0.515	25%	0.251	S	S	.	.	S	Bend	trans	-141.8	132.8	172.7	-166.1	0	0	0	0	110.5
156	P	97.5	Very high	97.4	Very high	63 Å²	63	52.5 Å²	52.5	41%	0.409	26%	0.264	S	S	.	.	S	Bend	cis	-61.8	162.2	-11.1	31.5	-37.7	0	0	0	112.4	L323 D325	P156-L323 CarbonylContact C-O 3.58Å; P156-L323 VanDerWaalsContact CA-O 3.31Å; P156-L323 WeakPolarHBondContact CA-O 3.47Å; P156-L323 HydrophobicContact CB-CD2 4.2Å; P156-L323 HydrophobicContact CB-CG 4Å; P156-L323 WeakPolarHBondContact CB-O 3.19Å; P156-D325 HydrophobicContact CB-CB 4.03Å; P156-D325 HydrophobicContact CG-CB 3.92Å
157	Q	98.5	Very high	97.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-91.6	133.3	177.7	-58.6	81.9	58	0	0	110.9	Y149 V152 E154 T161 F197 L323 D325	Y149-Q157 HydrophobicContact CD1-CB 4.07Å; Y149-Q157 HydrophobicContact CD1-CG 4.13Å; Y149-Q157 HydrophobicContact CD2-CB 3.86Å; Y149-Q157 HydrophobicContact CD2-CG 4.06Å; Y149-Q157 HydrophobicContact CE1-CB 4.04Å; Y149-Q157 HydrophobicContact CE2-CB 3.86Å; Y149-Q157 HydrophobicContact CG-CB 3.98Å; Y149-Q157 HydrophobicContact CG-CG 3.84Å; V152-Q157 HydrophobicContact CG1-CG 4.12Å; E154-Q157 WeakPolarHBondContact O-CG 3.45Å; E154-Q157 PolarHBondContact O-NE2 2.91Å; Q157-T161 HydrophobicContact CB-CG2 4.18Å; Q157-T161 HydrophobicContact CG-CG2 4.02Å; Q157-F197 HydrophobicContact CB-CZ 4.13Å; Q157-L323 PolarHBondContact N-O 2.95Å; Q157-L323 PolarHBondContact OE1-O 2.78Å; Q157-D325 PolarHBondContact O-N 3.07Å
158	S	98.2	Very high	97.4	Very high	24 Å²	24	54.1 Å²	54.1	17%	0.168	28%	0.275	C	S	.	.			trans	-116.9	-177.5	175.5	69.4	0	0	0	0	111.2	Y149 K160 T161	Y149-S158 PolarHBondContact OH-O 2.86Å; S158-K160 PolarHBondContact O-N 3.48Å; S158-K160 VanDerWaalsContact O-N 3.1Å; S158-K160 PolarHBondContact OG-N 2.86Å; S158-T161 PolarHBondContact N-OG1 3.27Å; S158-T161 PolarHBondContact O-N 3.41Å; S158-T161 VanDerWaalsContact O-N 3.13Å
159	E	98.2	Very high	97.5	Very high	28 Å²	28	55.1 Å²	55.1	13%	0.131	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.6	174.3	-57.4	84.7	169	0	0	113.3	I195 F261 V262 R328	E159-I195 HydrophobicContact CG-CD1 4.46Å; E159-F261 WeakPolarHBondContact OE1-CA 3.42Å; E159-V262 HydrophobicContact CG-CB 4.48Å; E159-V262 HydrophobicContact CG-CG2 4.04Å; E159-V262 PolarHBondContact OE1-N 3.01Å; E159-R328 IonicContact OE1-NH1 3.95Å; E159-R328 WeakPolarHBondContact OE2-CD 3.38Å; E159-R328 IonicContact OE2-NH1 3.96Å
160	K	97.5	Very high	97.5	Very high	183 Å²	183	55.1 Å²	55.1	80%	0.796	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-16.3	178.6	-63.3	-178.7	-178.5	175.8	0	113.4	S158	S158-K160 PolarHBondContact O-N 3.48Å; S158-K160 VanDerWaalsContact O-N 3.1Å; S158-K160 PolarHBondContact OG-N 2.86Å
161	T	98.2	Very high	97.6	Very high	3 Å²	3	59 Å²	59	2%	0.018	30%	0.303	C	S	.	.	S	Bend	trans	-68.2	129.3	-176.4	-60.1	0	0	0	0	110.2	Y149 E154 Q157 S158	Y149-T161 HydrophobicContact CD1-CG2 4.04Å; Y149-T161 HydrophobicContact CE1-CG2 4.23Å; Y149-T161 WeakPolarHBondContact CE1-O 3.4Å; E154-T161 HydrophobicContact CB-CG2 3.86Å; E154-T161 HydrophobicContact CG-CG2 4.26Å; E154-T161 WeakPolarHBondContact OE2-CB 3.48Å; E154-T161 PolarHBondContact OE2-OG1 3.4Å; Q157-T161 HydrophobicContact CB-CG2 4.18Å; Q157-T161 HydrophobicContact CG-CG2 4.02Å; S158-T161 PolarHBondContact N-OG1 3.27Å; S158-T161 PolarHBondContact O-N 3.41Å; S158-T161 VanDerWaalsContact O-N 3.13Å
162	P	98.1	Very high	97.7	Very high	69 Å²	69	53.3 Å²	53.3	45%	0.448	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-60.8	141.6	-179.6	-25.2	34.5	0	0	0	113.3	V153	V153-P162 HydrophobicContact CG2-CB 4.44Å
163	F	98.4	Very high	97.8	Very high	42 Å²	42	51.4 Å²	51.4	18%	0.184	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-78.5	141	176.7	-58.7	-43.1	0	0	0	112.2	L148 Y149 L174 Y177 I195	L148-F163 HydrophobicContact CB-CD1 3.55Å; L148-F163 HydrophobicContact CB-CE1 3.84Å; L148-F163 HydrophobicContact CB-CG 4.06Å; L148-F163 HydrophobicContact CD1-CE1 4.06Å; L148-F163 HydrophobicContact CD1-CZ 4.06Å; L148-F163 CarbonylContact O-C 3.59Å; L148-F163 WeakPolarHBondContact O-CA 3.32Å; L148-F163 WeakPolarHBondContact O-CB 3.47Å; Y149-F163 AromaticContact CD1-CD1 3.76Å; Y149-F163 HydrophobicContact CD1-CD1 3.76Å; Y149-F163 HydrophobicContact CD1-CE1 4.06Å; Y149-F163 AromaticContact CE1-CD1 3.75Å; Y149-F163 HydrophobicContact CE1-CD1 3.75Å; Y149-F163 AromaticContact CE1-CE1 3.57Å; Y149-F163 HydrophobicContact CE1-CE1 3.57Å; F163-L174 HydrophobicContact CB-CD1 3.93Å; F163-L174 HydrophobicContact CD2-CD1 3.4Å; F163-L174 HydrophobicContact CE2-CD1 4.18Å; F163-L174 HydrophobicContact CG-CD1 3.94Å; F163-Y177 AromaticContact CE2-CD1 3.82Å; F163-Y177 HydrophobicContact CE2-CD1 3.82Å; F163-Y177 HydrophobicContact CE2-CD2 4.31Å; F163-Y177 AromaticContact CE2-CE1 3.6Å; F163-Y177 HydrophobicContact CE2-CE1 3.6Å; F163-Y177 HydrophobicContact CE2-CE2 4.1Å; F163-Y177 HydrophobicContact CE2-CG 4.19Å; F163-Y177 AromaticContact CE2-CZ 3.74Å; F163-Y177 HydrophobicContact CZ-CD1 4.5Å; F163-Y177 HydrophobicContact CZ-CD2 4.23Å; F163-Y177 HydrophobicContact CZ-CE1 4.14Å; F163-Y177 AromaticContact CZ-CE2 3.83Å; F163-Y177 HydrophobicContact CZ-CE2 3.83Å; F163-Y177 AromaticContact CZ-CZ 3.78Å; F163-I195 HydrophobicContact CZ-CD1 4.27Å
164	Y	98.3	Very high	98	Very high	114 Å²	114	49 Å²	49	45%	0.447	25%	0.251	S	S	.	.			trans	-144.6	78.3	174.7	-159.9	-50.4	0	0	0	109.6	L148 Y149 G150 K151	L148-Y164 CarbonylContact O-C 3.05Å; L148-Y164 PolarHBondContact O-N 3.27Å; Y149-Y164 CarbonylContact C-O 3.59Å; G150-Y164 CarbonylContact C-O 3.55Å; G150-Y164 WeakPolarHBondContact CA-O 3.49Å; G150-Y164 PolarHBondContact N-O 2.98Å; K151-Y164 HydrophobicContact CB-CD1 3.83Å; K151-Y164 HydrophobicContact CB-CD2 4.46Å; K151-Y164 HydrophobicContact CB-CE1 4.25Å; K151-Y164 HydrophobicContact CB-CG 3.95Å; K151-Y164 PolarHBondContact N-O 3.01Å; K151-Y164 WeakPolarHBondContact O-CB 3.34Å
165	P	98	Very high	98.2	Very high	31 Å²	31	48.9 Å²	48.9	20%	0.201	25%	0.247	C	C	.	.			trans	-64.3	142.5	-175.8	28	-36.6	0	0	0	112.5	S170 V171 L174	P165-S170 WeakPolarHBondContact CA-OG 3.32Å; P165-S170 WeakPolarHBondContact CB-OG 3.44Å; P165-V171 HydrophobicContact CB-CG2 3.92Å; P165-V171 HydrophobicContact CG-CG2 3.89Å; P165-L174 HydrophobicContact CG-CD2 3.81Å
166	R	98.1	Very high	98.4	Very high	97 Å²	97	44.9 Å²	44.9	37%	0.366	22%	0.223	S	C	.	.			trans	-119.5	10.7	-178.3	-68	-75.1	-76.4	167.9	-0.1	114.8	K151 S170 A317 V319	K151-R166 HydrophobicContact CB-CG 4.06Å; R166-S170 PolarHBondContact N-OG 2.71Å; R166-S170 VanDerWaalsContact N-OG 3.07Å; R166-A317 HydrophobicContact CB-CB 4.38Å; R166-A317 WeakPolarHBondContact O-CB 3.41Å; R166-V319 HydrophobicContact CB-CG2 4.09Å
167	S	98.4	Very high	98.4	Very high	8 Å²	8	42.7 Å²	42.7	6%	0.056	21%	0.207	C	C	.	.	S	Bend	trans	-149.3	160.6	176.9	66.4	0	0	0	0	112.1	Y169 S170 V171	S167-Y169 PolarHBondContact O-N 2.74Å; S167-S170 PolarHBondContact N-OG 3.1Å; S167-S170 PolarHBondContact O-N 2.99Å; S167-S170 VanDerWaalsContact O-N 3.08Å; S167-S170 PolarHBondContact O-OG 3.22Å; S167-S170 PolarHBondContact OG-N 3.35Å; S167-S170 VanDerWaalsContact OG-N 3.09Å; S167-S170 PolarHBondContact OG-OG 3.45Å; S167-V171 WeakPolarHBondContact O-CG2 3.31Å; S167-V171 PolarHBondContact O-N 3.29Å
168	P	98.5	Very high	98.4	Very high	38 Å²	38	49.5 Å²	49.5	25%	0.247	23%	0.232	C	C	.	.	H	α-helix	trans	-55.6	-35.9	171	-27.6	37.2	0	0	0	112.8	S107 F108 A172	S107-P168 WeakPolarHBondContact O-CB 3.17Å; S107-P168 WeakPolarHBondContact O-CG 3.42Å; F108-P168 HydrophobicContact CD1-CG 4.33Å; P168-A172 WeakPolarHBondContact O-CB 3.46Å; P168-A172 PolarHBondContact O-N 3.17Å
169	Y	98.7	Very high	98.5	Very high	20 Å²	20	49.6 Å²	49.6	8%	0.078	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-50.6	171.8	168.7	-100.7	0	0	0	112.6	Q101 V104 S107 T114 E147 S167 A172 K173	Q101-Y169 VanDerWaalsContact O-CD2 3.31Å; Q101-Y169 WeakPolarHBondContact O-CD2 3.41Å; V104-Y169 HydrophobicContact CG2-CD1 3.88Å; V104-Y169 HydrophobicContact CG2-CE1 4.33Å; V104-Y169 HydrophobicContact CG2-CG 4.48Å; S107-Y169 WeakPolarHBondContact OG-CB 3.44Å; S107-Y169 PolarHBondContact OG-N 3.36Å; T114-Y169 HydrophobicContact CG2-CD2 4.44Å; E147-Y169 HydrophobicContact CB-CD1 4.24Å; E147-Y169 HydrophobicContact CB-CE1 3.92Å; E147-Y169 HydrophobicContact CG-CD1 4.35Å; E147-Y169 HydrophobicContact CG-CE1 3.96Å; S167-Y169 PolarHBondContact O-N 2.74Å; Y169-A172 PolarHBondContact O-N 2.69Å; Y169-K173 HydrophobicContact CD2-CG 4.4Å; Y169-K173 HydrophobicContact CE1-CG 4.07Å; Y169-K173 HydrophobicContact CE2-CD 4.4Å; Y169-K173 HydrophobicContact CE2-CG 3.87Å; Y169-K173 PolarHBondContact O-N 2.96Å; Y169-K173 VanDerWaalsContact OH-CE 3.27Å; Y169-K173 WeakPolarHBondContact OH-CE 3.33Å
170	S	98.4	Very high	98.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-74.1	-29	-176.5	59.3	0	0	0	0	113.3	E147 P165 R166 S167 K173 L174	E147-S170 WeakPolarHBondContact O-CB 3.4Å; P165-S170 WeakPolarHBondContact CA-OG 3.32Å; P165-S170 WeakPolarHBondContact CB-OG 3.44Å; R166-S170 PolarHBondContact N-OG 2.71Å; R166-S170 VanDerWaalsContact N-OG 3.07Å; S167-S170 PolarHBondContact N-OG 3.1Å; S167-S170 PolarHBondContact O-N 2.99Å; S167-S170 VanDerWaalsContact O-N 3.08Å; S167-S170 PolarHBondContact O-OG 3.22Å; S167-S170 PolarHBondContact OG-N 3.35Å; S167-S170 VanDerWaalsContact OG-N 3.09Å; S167-S170 PolarHBondContact OG-OG 3.45Å; S170-K173 PolarHBondContact O-N 3.47Å; S170-L174 WeakPolarHBondContact O-CB 3.15Å; S170-L174 PolarHBondContact O-N 3.18Å
171	V	98.6	Very high	98.6	Very high	83 Å²	83	39.8 Å²	39.8	50%	0.503	19%	0.188	S	C	.	.	H	α-helix	trans	-64.2	-43.9	168.5	175.5	0	0	0	0	110.8	P165 S167 L174 Y175	P165-V171 HydrophobicContact CB-CG2 3.92Å; P165-V171 HydrophobicContact CG-CG2 3.89Å; S167-V171 WeakPolarHBondContact O-CG2 3.31Å; S167-V171 PolarHBondContact O-N 3.29Å; V171-L174 WeakPolarHBondContact O-CB 3.27Å; V171-L174 PolarHBondContact O-N 3Å; V171-Y175 PolarHBondContact O-N 3.21Å
172	A	98.8	Very high	98.6	Very high	7 Å²	7	42.9 Å²	42.9	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-39.6	176.7	0	0	0	0	0	112.3	T114 V118 A119 P168 Y169 L174 Y175 A176	T114-A172 HydrophobicContact CG2-CB 4.44Å; V118-A172 HydrophobicContact CB-CB 3.88Å; V118-A172 HydrophobicContact CG1-CB 3.99Å; A119-A172 HydrophobicContact CB-CB 4.07Å; P168-A172 WeakPolarHBondContact O-CB 3.46Å; P168-A172 PolarHBondContact O-N 3.17Å; Y169-A172 PolarHBondContact O-N 2.69Å; A172-L174 VanDerWaalsContact C-N 3.31Å; A172-L174 PolarHBondContact O-N 3.1Å; A172-Y175 PolarHBondContact O-N 2.93Å; A172-A176 PolarHBondContact O-N 3.33Å
173	K	98.8	Very high	98.6	Very high	5 Å²	5	40 Å²	40	2%	0.022	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-35.1	171.6	-76.8	-67.3	-176.9	-178.4	0	112.2	V118 A143 L148 Y169 S170 A176 Y177	V118-K173 HydrophobicContact CG1-CD 3.53Å; V118-K173 HydrophobicContact CG1-CG 3.76Å; A143-K173 WeakPolarHBondContact O-CE 3.29Å; A143-K173 PolarHBondContact O-NZ 3.33Å; L148-K173 HydrophobicContact CD2-CB 3.83Å; Y169-K173 HydrophobicContact CD2-CG 4.4Å; Y169-K173 HydrophobicContact CE1-CG 4.07Å; Y169-K173 HydrophobicContact CE2-CD 4.4Å; Y169-K173 HydrophobicContact CE2-CG 3.87Å; Y169-K173 PolarHBondContact O-N 2.96Å; Y169-K173 VanDerWaalsContact OH-CE 3.27Å; Y169-K173 WeakPolarHBondContact OH-CE 3.33Å; S170-K173 PolarHBondContact O-N 3.47Å; K173-A176 WeakPolarHBondContact O-CB 3.46Å; K173-A176 PolarHBondContact O-N 3.29Å; K173-Y177 WeakPolarHBondContact O-CB 3.49Å; K173-Y177 PolarHBondContact O-N 3.37Å
174	L	98.7	Very high	98.6	Very high	37 Å²	37	39.9 Å²	39.9	19%	0.194	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-41.1	177.4	-177.4	62.5	0	0	0	111.6	L148 F163 P165 S170 V171 A172 Y177 W178	L148-L174 VanDerWaalsContact CD2-CA 3.44Å; L148-L174 HydrophobicContact CD2-CB 3.8Å; L148-L174 HydrophobicContact CD2-CD1 4.17Å; L148-L174 VanDerWaalsContact CD2-N 3.31Å; F163-L174 HydrophobicContact CB-CD1 3.93Å; F163-L174 HydrophobicContact CD2-CD1 3.4Å; F163-L174 HydrophobicContact CE2-CD1 4.18Å; F163-L174 HydrophobicContact CG-CD1 3.94Å; P165-L174 HydrophobicContact CG-CD2 3.81Å; S170-L174 WeakPolarHBondContact O-CB 3.15Å; S170-L174 PolarHBondContact O-N 3.18Å; V171-L174 WeakPolarHBondContact O-CB 3.27Å; V171-L174 PolarHBondContact O-N 3Å; A172-L174 VanDerWaalsContact C-N 3.31Å; A172-L174 PolarHBondContact O-N 3.1Å; L174-Y177 WeakPolarHBondContact O-CB 3.31Å; L174-Y177 PolarHBondContact O-N 3.33Å; L174-W178 VanDerWaalsContact O-CD1 3.27Å; L174-W178 PolarHBondContact O-N 3.19Å; L174-W178 VanDerWaalsContact O-N 3.14Å
175	Y	98.9	Very high	98.6	Very high	90 Å²	90	41.1 Å²	41.1	35%	0.353	19%	0.193	S	C	.	.	H	α-helix	trans	-57.8	-50	169.2	175.9	-80.3	0	0	0	111	A119 L120 L123 V171 A172 Y177 W178 I179	A119-Y175 HydrophobicContact CB-CD1 3.44Å; A119-Y175 VanDerWaalsContact CB-CD1 3.44Å; A119-Y175 HydrophobicContact CB-CE1 4.17Å; A119-Y175 HydrophobicContact CB-CG 3.77Å; L120-Y175 HydrophobicContact CD2-CE1 4.39Å; L123-Y175 HydrophobicContact CB-CE1 4.35Å; L123-Y175 WeakPolarHBondContact CD2-OH 3.22Å; V171-Y175 PolarHBondContact O-N 3.21Å; A172-Y175 PolarHBondContact O-N 2.93Å; Y175-Y177 VanDerWaalsContact C-N 3.27Å; Y175-Y177 PolarHBondContact O-N 2.64Å; Y175-W178 PolarHBondContact O-N 2.81Å; Y175-I179 HydrophobicContact CD1-CG2 4.25Å; Y175-I179 HydrophobicContact CE1-CB 4.12Å; Y175-I179 HydrophobicContact CE1-CG1 4.44Å; Y175-I179 HydrophobicContact CE1-CG2 4.03Å; Y175-I179 PolarHBondContact O-N 2.86Å
176	A	98.9	Very high	98.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-37.3	-178.5	0	0	0	0	0	112.4	T122 A172 K173 I179 V180	T122-A176 HydrophobicContact CG2-CB 4.1Å; A172-A176 PolarHBondContact O-N 3.33Å; K173-A176 WeakPolarHBondContact O-CB 3.46Å; K173-A176 PolarHBondContact O-N 3.29Å; A176-I179 WeakPolarHBondContact O-CG2 3.41Å; A176-V180 WeakPolarHBondContact O-CG2 3.42Å; A176-V180 PolarHBondContact O-N 3.14Å
177	Y	98.9	Very high	98.6	Very high	18 Å²	18	42 Å²	42	7%	0.071	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-54.5	173.5	177.5	-82.7	0	0	0	110.9	L148 F163 K173 L174 Y175 V180 V181 N193 I195 D260	L148-Y177 HydrophobicContact CD1-CD2 3.92Å; L148-Y177 HydrophobicContact CD1-CG 4.33Å; F163-Y177 AromaticContact CE2-CD1 3.82Å; F163-Y177 HydrophobicContact CE2-CD1 3.82Å; F163-Y177 HydrophobicContact CE2-CD2 4.31Å; F163-Y177 AromaticContact CE2-CE1 3.6Å; F163-Y177 HydrophobicContact CE2-CE1 3.6Å; F163-Y177 HydrophobicContact CE2-CE2 4.1Å; F163-Y177 HydrophobicContact CE2-CG 4.19Å; F163-Y177 AromaticContact CE2-CZ 3.74Å; F163-Y177 HydrophobicContact CZ-CD1 4.5Å; F163-Y177 HydrophobicContact CZ-CD2 4.23Å; F163-Y177 HydrophobicContact CZ-CE1 4.14Å; F163-Y177 AromaticContact CZ-CE2 3.83Å; F163-Y177 HydrophobicContact CZ-CE2 3.83Å; F163-Y177 AromaticContact CZ-CZ 3.78Å; K173-Y177 WeakPolarHBondContact O-CB 3.49Å; K173-Y177 PolarHBondContact O-N 3.37Å; L174-Y177 WeakPolarHBondContact O-CB 3.31Å; L174-Y177 PolarHBondContact O-N 3.33Å; Y175-Y177 VanDerWaalsContact C-N 3.27Å; Y175-Y177 PolarHBondContact O-N 2.64Å; Y177-V180 WeakPolarHBondContact O-CB 3.3Å; Y177-V180 PolarHBondContact O-N 2.69Å; Y177-V181 HydrophobicContact CD1-CG2 4.09Å; Y177-V181 HydrophobicContact CE1-CG2 3.7Å; Y177-V181 WeakPolarHBondContact O-CG2 3.43Å; Y177-V181 PolarHBondContact O-N 3.4Å; Y177-V181 VanDerWaalsContact O-N 3.1Å; Y177-N193 HydrophobicContact CD2-CB 3.7Å; Y177-N193 VanDerWaalsContact CD2-CG 3.4Å; Y177-N193 HydrophobicContact CE2-CB 3.69Å; Y177-N193 PolarHBondContact O-ND2 3.5Å; Y177-I195 HydrophobicContact CE2-CD1 3.99Å; Y177-I195 HydrophobicContact CE2-CG1 4.14Å; Y177-D260 PolarHBondContact OH-OD2 3.48Å
178	W	98.9	Very high	98.6	Very high	142 Å²	142	44 Å²	44	54%	0.538	23%	0.225	S	C	.	.	H	α-helix	trans	-71.5	-33.3	-174.1	-77.9	115.1	0	0	0	113.7	L174 Y175 V180 V181 N182	L174-W178 VanDerWaalsContact O-CD1 3.27Å; L174-W178 PolarHBondContact O-N 3.19Å; L174-W178 VanDerWaalsContact O-N 3.14Å; Y175-W178 PolarHBondContact O-N 2.81Å; W178-V180 VanDerWaalsContact C-N 3.28Å; W178-V180 PolarHBondContact O-N 3.33Å; W178-V181 HydrophobicContact CE3-CB 4.12Å; W178-V181 HydrophobicContact CE3-CG1 4.18Å; W178-V181 HydrophobicContact CE3-CG2 4.29Å; W178-V181 HydrophobicContact CZ3-CG1 4.16Å; W178-V181 PolarHBondContact O-N 2.89Å; W178-N182 WeakPolarHBondContact O-CB 3.42Å; W178-N182 PolarHBondContact O-N 3.05Å
179	I	98.8	Very high	98.6	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.138	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-33.9	175.4	-162.5	62.6	0	0	0	111.2	T122 L123 L126 Y175 A176 N182 Y183	T122-I179 HydrophobicContact CG2-CG2 4.11Å; L123-I179 HydrophobicContact CB-CG1 4.34Å; L123-I179 HydrophobicContact CD1-CD1 4.19Å; L123-I179 HydrophobicContact CD1-CG1 3.93Å; L126-I179 HydrophobicContact CD1-CG1 4.49Å; L126-I179 HydrophobicContact CD1-CG2 4.18Å; Y175-I179 HydrophobicContact CD1-CG2 4.25Å; Y175-I179 HydrophobicContact CE1-CB 4.12Å; Y175-I179 HydrophobicContact CE1-CG1 4.44Å; Y175-I179 HydrophobicContact CE1-CG2 4.03Å; Y175-I179 PolarHBondContact O-N 2.86Å; A176-I179 WeakPolarHBondContact O-CG2 3.41Å; I179-N182 PolarHBondContact O-N 2.76Å; I179-Y183 HydrophobicContact CD1-CD2 4.17Å; I179-Y183 HydrophobicContact CD1-CE2 3.9Å; I179-Y183 HydrophobicContact CG1-CD2 4.11Å; I179-Y183 HydrophobicContact CG1-CE2 3.97Å; I179-Y183 VanDerWaalsContact O-CD2 3.24Å; I179-Y183 WeakPolarHBondContact O-CD2 3.31Å; I179-Y183 PolarHBondContact O-N 2.77Å
180	V	98.9	Very high	98.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-45.6	173.5	168.7	0	0	0	0	111.1	T122 L126 F140 Q142 A176 Y177 W178 N182 Y183 R184 A191	T122-V180 HydrophobicContact CG2-CG2 3.82Å; L126-V180 HydrophobicContact CD1-CG2 3.96Å; F140-V180 HydrophobicContact CD1-CG2 4.42Å; F140-V180 HydrophobicContact CE1-CG2 3.83Å; Q142-V180 HydrophobicContact CB-CG1 4.36Å; Q142-V180 HydrophobicContact CB-CG2 3.86Å; Q142-V180 HydrophobicContact CG-CG2 4.02Å; A176-V180 WeakPolarHBondContact O-CG2 3.42Å; A176-V180 PolarHBondContact O-N 3.14Å; Y177-V180 WeakPolarHBondContact O-CB 3.3Å; Y177-V180 PolarHBondContact O-N 2.69Å; W178-V180 VanDerWaalsContact C-N 3.28Å; W178-V180 PolarHBondContact O-N 3.33Å; V180-N182 VanDerWaalsContact C-N 3.32Å; V180-N182 PolarHBondContact O-N 3.29Å; V180-Y183 PolarHBondContact O-N 3.1Å; V180-R184 PolarHBondContact O-N 3.42Å; V180-A191 HydrophobicContact CG1-CB 3.94Å
181	V	98.8	Very high	98.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-57.2	-47.2	173.5	175.7	0	0	0	0	110.4	Y177 W178 Y183 R184 E185	Y177-V181 HydrophobicContact CD1-CG2 4.09Å; Y177-V181 HydrophobicContact CE1-CG2 3.7Å; Y177-V181 WeakPolarHBondContact O-CG2 3.43Å; Y177-V181 PolarHBondContact O-N 3.4Å; Y177-V181 VanDerWaalsContact O-N 3.1Å; W178-V181 HydrophobicContact CE3-CB 4.12Å; W178-V181 HydrophobicContact CE3-CG1 4.18Å; W178-V181 HydrophobicContact CE3-CG2 4.29Å; W178-V181 HydrophobicContact CZ3-CG1 4.16Å; W178-V181 PolarHBondContact O-N 2.89Å; V181-Y183 VanDerWaalsContact C-N 3.34Å; V181-Y183 PolarHBondContact O-N 3.04Å; V181-R184 WeakPolarHBondContact O-CB 3.36Å; V181-R184 PolarHBondContact O-N 3.41Å; V181-E185 HydrophobicContact CG1-CG 4.39Å; V181-E185 VanDerWaalsContact CG1-OE1 3.3Å; V181-E185 WeakPolarHBondContact CG1-OE1 3.46Å; V181-E185 WeakPolarHBondContact O-CG 3.49Å; V181-E185 PolarHBondContact O-N 3.19Å
182	N	98.8	Very high	98.6	Very high	67 Å²	67	38.7 Å²	38.7	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-61.9	-39.3	-179.9	-178.7	-106.1	0	0	0	112.6	W178 I179 V180 E185 S186	W178-N182 WeakPolarHBondContact O-CB 3.42Å; W178-N182 PolarHBondContact O-N 3.05Å; I179-N182 PolarHBondContact O-N 2.76Å; V180-N182 VanDerWaalsContact C-N 3.32Å; V180-N182 PolarHBondContact O-N 3.29Å; N182-E185 PolarHBondContact O-N 2.7Å; N182-S186 PolarHBondContact ND2-OG 3.29Å; N182-S186 WeakPolarHBondContact O-CB 3.5Å; N182-S186 PolarHBondContact O-N 2.85Å; N182-S186 PolarHBondContact O-OG 3.28Å
183	Y	98.7	Very high	98.6	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-69.8	-37.8	176.6	-90.9	-119.7	0	0	0	112.6	L123 L126 D127 R130 I179 V180 V181 Y187 M189	L123-Y183 HydrophobicContact CD1-CE2 3.89Å; L123-Y183 VanDerWaalsContact CD1-OH 3.3Å; L123-Y183 WeakPolarHBondContact CD1-OH 3.39Å; L126-Y183 HydrophobicContact CB-CD1 3.61Å; L126-Y183 HydrophobicContact CB-CE1 3.48Å; L126-Y183 VanDerWaalsContact CB-CE1 3.48Å; L126-Y183 HydrophobicContact CB-CG 4.23Å; L126-Y183 HydrophobicContact CD1-CD1 4.17Å; L126-Y183 HydrophobicContact CD1-CD2 4.11Å; L126-Y183 HydrophobicContact CD1-CE2 4.5Å; L126-Y183 HydrophobicContact CD1-CG 3.93Å; L126-Y183 HydrophobicContact CD2-CD1 4.27Å; L126-Y183 HydrophobicContact CG-CD1 4.24Å; L126-Y183 HydrophobicContact CG-CG 4.47Å; D127-Y183 VanDerWaalsContact CG-OH 3.25Å; D127-Y183 PolarHBondContact OD1-OH 3.27Å; R130-Y183 VanDerWaalsContact CD-CE1 3.43Å; R130-Y183 HydrophobicContact CG-CE1 4.27Å; I179-Y183 HydrophobicContact CD1-CD2 4.17Å; I179-Y183 HydrophobicContact CD1-CE2 3.9Å; I179-Y183 HydrophobicContact CG1-CD2 4.11Å; I179-Y183 HydrophobicContact CG1-CE2 3.97Å; I179-Y183 VanDerWaalsContact O-CD2 3.24Å; I179-Y183 WeakPolarHBondContact O-CD2 3.31Å; I179-Y183 PolarHBondContact O-N 2.77Å; V180-Y183 PolarHBondContact O-N 3.1Å; V181-Y183 VanDerWaalsContact C-N 3.34Å; V181-Y183 PolarHBondContact O-N 3.04Å; Y183-Y187 AromaticContact CD1-CD2 3.66Å; Y183-Y187 HydrophobicContact CD1-CD2 3.66Å; Y183-Y187 AromaticContact CD1-CE2 3.9Å; Y183-Y187 HydrophobicContact CD1-CE2 3.9Å; Y183-Y187 HydrophobicContact CD2-CD2 4.34Å; Y183-Y187 HydrophobicContact CD2-CE2 4.06Å; Y183-Y187 HydrophobicContact CE1-CD2 4.07Å; Y183-Y187 AromaticContact CE1-CE2 3.91Å; Y183-Y187 HydrophobicContact CE1-CE2 3.91Å; Y183-Y187 HydrophobicContact CE2-CE2 4.08Å; Y183-Y187 AromaticContact CG-CD2 3.82Å; Y183-Y187 HydrophobicContact CG-CD2 3.82Å; Y183-Y187 AromaticContact CG-CE2 3.99Å; Y183-Y187 HydrophobicContact CG-CE2 3.99Å; Y183-Y187 WeakPolarHBondContact O-CB 3.45Å; Y183-Y187 PolarHBondContact O-N 3.1Å; Y183-Y187 VanDerWaalsContact O-N 3.09Å; Y183-M189 HydrophobicContact CD1-SD 3.64Å; Y183-M189 HydrophobicContact CG-SD 4.42Å
184	R	98.7	Very high	98.6	Very high	40 Å²	40	38.1 Å²	38.1	15%	0.151	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-50.2	170.9	172.1	175.1	60.4	-145.8	13.2	110.7	V180 V181 G188 A191 P258 D260	V180-R184 PolarHBondContact O-N 3.42Å; V181-R184 WeakPolarHBondContact O-CB 3.36Å; V181-R184 PolarHBondContact O-N 3.41Å; R184-G188 WeakPolarHBondContact O-CA 3.31Å; R184-G188 PolarHBondContact O-N 3.34Å; R184-A191 HydrophobicContact CB-CB 4.42Å; R184-A191 WeakPolarHBondContact CD-O 3.14Å; R184-A191 PolarHBondContact NH1-O 3.1Å; R184-P258 HydrophobicContact CG-CG 3.98Å; R184-D260 IonicContact CZ-OD1 3.73Å; R184-D260 IonicContact CZ-OD2 3.3Å; R184-D260 IonicContact NH1-OD1 3.69Å; R184-D260 PolarHBondContact NH1-OD1 3.36Å; R184-D260 IonicContact NH1-OD2 2.73Å; R184-D260 PolarHBondContact NH1-OD2 3.37Å; R184-D260 IonicContact NH2-OD1 2.62Å; R184-D260 IonicContact NH2-OD2 3.55Å; R184-D260 PolarHBondContact NH2-OD2 3.42Å
185	E	98.5	Very high	98.7	Very high	139 Å²	139	36.3 Å²	36.3	65%	0.65	18%	0.179	S	C	*	.	H	α-helix	trans	-75.6	-41.7	-174.8	-69	174.7	-177.8	0	0	113.4	V181 N182	V181-E185 HydrophobicContact CG1-CG 4.39Å; V181-E185 VanDerWaalsContact CG1-OE1 3.3Å; V181-E185 WeakPolarHBondContact CG1-OE1 3.46Å; V181-E185 WeakPolarHBondContact O-CG 3.49Å; V181-E185 PolarHBondContact O-N 3.19Å; N182-E185 PolarHBondContact O-N 2.7Å
186	S	98.2	Very high	98.6	Very high	67 Å²	67	32.3 Å²	32.3	47%	0.469	16%	0.164	S	C	.	.	H	α-helix	trans	-81.5	-32.2	-174.3	-53.3	0	0	0	0	113	N182	N182-S186 PolarHBondContact ND2-OG 3.29Å; N182-S186 WeakPolarHBondContact O-CB 3.5Å; N182-S186 PolarHBondContact O-N 2.85Å; N182-S186 PolarHBondContact O-OG 3.28Å
187	Y	97.9	Very high	98.6	Very high	80 Å²	80	32.4 Å²	32.4	31%	0.314	16%	0.164	S	C	.	.	H	α-helix	trans	-117	-0.7	-174.6	-52.4	-54.7	0	0	0	113.3	R130 K136 Y183 M189	R130-Y187 VanDerWaalsContact CZ-CE1 3.48Å; R130-Y187 VanDerWaalsContact NH1-CE2 3.3Å; R130-Y187 PolarHBondContact NH1-OH 3.24Å; R130-Y187 VanDerWaalsContact NH1-OH 3.11Å; R130-Y187 VanDerWaalsContact NH2-CE1 3.3Å; K136-Y187 PolarHBondContact NZ-O 2.74Å; Y183-Y187 AromaticContact CD1-CD2 3.66Å; Y183-Y187 HydrophobicContact CD1-CD2 3.66Å; Y183-Y187 AromaticContact CD1-CE2 3.9Å; Y183-Y187 HydrophobicContact CD1-CE2 3.9Å; Y183-Y187 HydrophobicContact CD2-CD2 4.34Å; Y183-Y187 HydrophobicContact CD2-CE2 4.06Å; Y183-Y187 HydrophobicContact CE1-CD2 4.07Å; Y183-Y187 AromaticContact CE1-CE2 3.91Å; Y183-Y187 HydrophobicContact CE1-CE2 3.91Å; Y183-Y187 HydrophobicContact CE2-CE2 4.08Å; Y183-Y187 AromaticContact CG-CD2 3.82Å; Y183-Y187 HydrophobicContact CG-CD2 3.82Å; Y183-Y187 AromaticContact CG-CE2 3.99Å; Y183-Y187 HydrophobicContact CG-CE2 3.99Å; Y183-Y187 WeakPolarHBondContact O-CB 3.45Å; Y183-Y187 PolarHBondContact O-N 3.1Å; Y183-Y187 VanDerWaalsContact O-N 3.09Å; Y187-M189 PolarHBondContact O-N 3.38Å
188	G	97.7	Very high	98.6	Very high	51 Å²	51	32.9 Å²	32.9	53%	0.526	17%	0.168	S	C	.	.			trans	61.1	31.7	-178.2	0	0	0	0	0	112.8	R184	R184-G188 WeakPolarHBondContact O-CA 3.31Å; R184-G188 PolarHBondContact O-N 3.34Å
189	M	98.5	Very high	98.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.146	C	C	.	.			trans	-74	143.4	176.6	-74.7	-179.9	60.9	0	0	110.6	L126 I129 R130 E135 Y183 Y187 A191	L126-M189 HydrophobicContact CD2-CE 3.94Å; I129-M189 HydrophobicContact CB-CE 4.35Å; I129-M189 HydrophobicContact CD1-CE 4.25Å; I129-M189 HydrophobicContact CG2-CE 3.7Å; R130-M189 HydrophobicContact CG-SD 4.16Å; E135-M189 HydrophobicContact CB-CG 3.75Å; E135-M189 HydrophobicContact CB-SD 3.94Å; E135-M189 WeakPolarHBondContact O-CG 3.47Å; Y183-M189 HydrophobicContact CD1-SD 3.64Å; Y183-M189 HydrophobicContact CG-SD 4.42Å; Y187-M189 PolarHBondContact O-N 3.38Å; M189-A191 VanDerWaalsContact C-N 3.3Å; M189-A191 HydrophobicContact CB-CB 4.35Å; M189-A191 PolarHBondContact O-N 3.45Å
190	F	98.8	Very high	98.6	Very high	27 Å²	27	25.8 Å²	25.8	12%	0.118	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	88.4	164.8	-164.6	-67.6	0	0	0	108.5	K139 F140 L253 R255 P258	K139-F190 CarbonylContact C-O 3.58Å; K139-F190 WeakPolarHBondContact CA-O 3.41Å; K139-F190 HydrophobicContact CB-CB 4.35Å; K139-F190 HydrophobicContact CB-CD1 3.71Å; K139-F190 HydrophobicContact CB-CE1 4.37Å; K139-F190 HydrophobicContact CB-CG 4.16Å; K139-F190 HydrophobicContact CD-CD1 3.76Å; K139-F190 HydrophobicContact CD-CD2 4.11Å; K139-F190 HydrophobicContact CD-CE1 3.91Å; K139-F190 HydrophobicContact CD-CE2 4.22Å; K139-F190 HydrophobicContact CD-CG 3.88Å; K139-F190 HydrophobicContact CD-CZ 4.13Å; K139-F190 HydrophobicContact CG-CB 3.96Å; K139-F190 HydrophobicContact CG-CD1 3.75Å; K139-F190 HydrophobicContact CG-CD2 4.35Å; K139-F190 HydrophobicContact CG-CE1 4.39Å; K139-F190 HydrophobicContact CG-CG 3.74Å; F140-F190 PolarHBondContact N-O 3.3Å; F190-L253 HydrophobicContact CD1-CD2 4.23Å; F190-L253 HydrophobicContact CE1-CD2 3.93Å; F190-R255 WeakPolarHBondContact CE2-O 3.42Å; F190-R255 HydrophobicContact CZ-CB 4.18Å; F190-R255 WeakPolarHBondContact CZ-O 3.37Å; F190-P258 HydrophobicContact CD1-CB 3.98Å; F190-P258 HydrophobicContact CD2-CB 4.2Å; F190-P258 HydrophobicContact CD2-CG 4.34Å; F190-P258 HydrophobicContact CE1-CB 4.08Å; F190-P258 HydrophobicContact CE2-CB 4.33Å; F190-P258 HydrophobicContact CG-CB 4.03Å; F190-P258 HydrophobicContact CG-CG 4.41Å; F190-P258 HydrophobicContact CZ-CB 4.27Å
191	A	98.8	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.7	-179	0	0	0	0	0	111.2	F140 V180 R184 M189	F140-A191 HydrophobicContact CB-CB 4.06Å; F140-A191 HydrophobicContact CD1-CB 4.2Å; F140-A191 CarbonylContact O-C 3.39Å; F140-A191 VanDerWaalsContact O-CA 3.3Å; F140-A191 WeakPolarHBondContact O-CA 3.37Å; V180-A191 HydrophobicContact CG1-CB 3.94Å; R184-A191 HydrophobicContact CB-CB 4.42Å; R184-A191 WeakPolarHBondContact CD-O 3.14Å; R184-A191 PolarHBondContact NH1-O 3.1Å; M189-A191 VanDerWaalsContact C-N 3.3Å; M189-A191 HydrophobicContact CB-CB 4.35Å; M189-A191 PolarHBondContact O-N 3.45Å
192	C	98.6	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.1	-177.7	60.9	0	0	0	0	113.2	F140 Q142 L253 E259	F140-C192 PolarHBondContact O-N 3.45Å; Q142-C192 PolarHBondContact N-O 3.41Å; C192-L253 VanDerWaalsContact SG-CD2 3.56Å; C192-E259 WeakPolarHBondContact CB-O 3.48Å
193	N	98.9	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.4	171.5	-71	-74	0	0	0	110.2	Q142 S144 Y177 D260 F261	Q142-N193 WeakPolarHBondContact CB-OD1 3.44Å; Q142-N193 VanDerWaalsContact CG-OD1 3.31Å; Q142-N193 WeakPolarHBondContact CG-OD1 3.11Å; S144-N193 PolarHBondContact OG-OD1 3.21Å; Y177-N193 HydrophobicContact CD2-CB 3.7Å; Y177-N193 VanDerWaalsContact CD2-CG 3.4Å; Y177-N193 HydrophobicContact CE2-CB 3.69Å; Y177-N193 PolarHBondContact O-ND2 3.5Å; N193-D260 HydrophobicContact CB-CB 4.16Å; N193-D260 WeakPolarHBondContact CB-OD1 3.36Å; N193-D260 PolarHBondContact N-OD1 3.17Å; N193-D260 PolarHBondContact ND2-OD1 3.22Å; N193-D260 WeakPolarHBondContact O-CA 3.36Å; N193-F261 PolarHBondContact O-N 3.42Å
194	G	98.9	Very high	98.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	110.4	160.6	0	0	0	0	0	109.7	Q142 S144 L196	Q142-G194 PolarHBondContact O-N 2.86Å; S144-G194 CarbonylContact C-O 3.54Å; S144-G194 VanDerWaalsContact CA-O 3.27Å; S144-G194 WeakPolarHBondContact CA-O 3.32Å; S144-G194 VanDerWaalsContact CB-O 3.26Å; S144-G194 WeakPolarHBondContact CB-O 3.36Å; S144-G194 PolarHBondContact N-O 3.33Å; G194-L196 VanDerWaalsContact C-CD1 3.46Å; G194-L196 VanDerWaalsContact C-N 3.27Å; G194-L196 PolarHBondContact O-N 2.95Å; G194-L196 VanDerWaalsContact O-N 3.09Å
195	I	98.8	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	76.3	174.8	-49.6	169.2	0	0	0	107.6	Y149 E159 F163 Y177 F261 V262 I263	Y149-I195 HydrophobicContact CE2-CG2 3.69Å; E159-I195 HydrophobicContact CG-CD1 4.46Å; F163-I195 HydrophobicContact CZ-CD1 4.27Å; Y177-I195 HydrophobicContact CE2-CD1 3.99Å; Y177-I195 HydrophobicContact CE2-CG1 4.14Å; I195-F261 PolarHBondContact N-O 3.49Å; I195-V262 HydrophobicContact CB-CG2 4.09Å; I195-V262 HydrophobicContact CD1-CG2 4.3Å; I195-V262 HydrophobicContact CG2-CG2 4.25Å; I195-V262 WeakPolarHBondContact O-CA 3.46Å; I195-I263 PolarHBondContact O-N 3.24Å; I195-I263 VanDerWaalsContact O-N 3.11Å
196	L	98.7	Very high	98	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.1	-175.4	-85.9	58.7	0	0	0	110.7	Y141 S145 S146 G194 Y245 M249 M252 I263	Y141-L196 VanDerWaalsContact OH-CD1 3.29Å; Y141-L196 WeakPolarHBondContact OH-CD1 3.38Å; S145-L196 WeakPolarHBondContact CA-O 3.25Å; S146-L196 PolarHBondContact N-O 2.68Å; G194-L196 VanDerWaalsContact C-CD1 3.46Å; G194-L196 VanDerWaalsContact C-N 3.27Å; G194-L196 PolarHBondContact O-N 2.95Å; G194-L196 VanDerWaalsContact O-N 3.09Å; L196-Y245 HydrophobicContact CB-CD2 4.16Å; L196-Y245 HydrophobicContact CD2-CD2 3.92Å; L196-Y245 HydrophobicContact CD2-CG 4.47Å; L196-Y245 HydrophobicContact CG-CD2 3.81Å; L196-M249 HydrophobicContact CD2-CE 3.37Å; L196-M249 HydrophobicContact CD2-CG 4.4Å; L196-M252 HydrophobicContact CD1-CE 4.42Å; L196-I263 HydrophobicContact CD1-CB 3.81Å; L196-I263 HydrophobicContact CD1-CG1 3.81Å; L196-I263 HydrophobicContact CG-CB 3.89Å; L196-I263 HydrophobicContact CG-CG1 4.41Å; L196-I263 HydrophobicContact CG-CG2 4.22Å
197	F	98.6	Very high	97.8	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.14	C	C	.	.			trans	-72.6	178.1	166.1	-79.3	-105.1	0	0	0	111	S146 Y149 Q157 H199 D238 V262 I263 A264 L322	S146-F197 VanDerWaalsContact CB-CD1 3.48Å; Y149-F197 HydrophobicContact CD2-CE2 4.45Å; Y149-F197 AromaticContact CD2-CZ 3.93Å; Y149-F197 HydrophobicContact CD2-CZ 3.93Å; Y149-F197 AromaticContact CE2-CE2 3.9Å; Y149-F197 HydrophobicContact CE2-CE2 3.9Å; Y149-F197 AromaticContact CE2-CZ 3.77Å; Y149-F197 HydrophobicContact CE2-CZ 3.77Å; Q157-F197 HydrophobicContact CB-CZ 4.13Å; F197-H199 PolarHBondContact O-N 3.43Å; F197-H199 PolarHBondContact O-ND1 3.23Å; F197-D238 HydrophobicContact CB-CB 4.29Å; F197-D238 HydrophobicContact CD1-CB 3.84Å; F197-D238 HydrophobicContact CG-CB 4.38Å; F197-V262 HydrophobicContact CD2-CG1 3.95Å; F197-V262 HydrophobicContact CE2-CG1 3.59Å; F197-V262 HydrophobicContact CE2-CG2 4.46Å; F197-I263 PolarHBondContact N-O 3.08Å; F197-A264 HydrophobicContact CB-CB 3.94Å; F197-A264 HydrophobicContact CD2-CB 3.68Å; F197-A264 HydrophobicContact CE2-CB 4.41Å; F197-A264 HydrophobicContact CG-CB 3.8Å; F197-L322 HydrophobicContact CD1-CB 4.07Å; F197-L322 HydrophobicContact CE1-CB 3.88Å; F197-L322 HydrophobicContact CE1-CD2 4.46Å
198	N	98.5	Very high	97.7	Very high	29 Å²	29	23.6 Å²	23.6	16%	0.155	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.5	-173.1	-63.3	54.4	0	0	0	109.6	D238 W239 G240	N198-D238 VanDerWaalsContact CB-O 3.29Å; N198-D238 WeakPolarHBondContact CB-O 3.09Å; N198-D238 PolarHBondContact N-O 2.64Å; N198-W239 HydrophobicContact CB-CG 4.45Å; N198-W239 CarbonylContact O-C 3.21Å; N198-W239 VanDerWaalsContact O-CA 3.32Å; N198-W239 WeakPolarHBondContact O-CA 3.3Å; N198-G240 PolarHBondContact O-N 3.07Å
199	H	98.6	Very high	97.7	Very high	17 Å²	17	23.5 Å²	23.5	8%	0.079	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	132.8	177.6	47.9	-77.1	0	0	0	110.2	Q24 D25 F197 R204 G240 Y245	Q24-H199 PolarHBondContact NE2-O 3.28Å; D25-H199 VanDerWaalsContact CG-NE2 3.33Å; D25-H199 IonicContact OD1-CD2 2.73Å; D25-H199 PolarHBondContact OD1-CD2 3.4Å; D25-H199 VanDerWaalsContact OD1-CD2 3.29Å; D25-H199 IonicContact OD1-NE2 3.67Å; D25-H199 PolarHBondContact OD1-NE2 2.87Å; D25-H199 IonicContact OD2-CD2 3.63Å; D25-H199 IonicContact OD2-NE2 3.74Å; D25-H199 PolarHBondContact OD2-NE2 2.86Å; D25-H199 VanDerWaalsContact OD2-NE2 3.1Å; F197-H199 PolarHBondContact O-N 3.43Å; F197-H199 PolarHBondContact O-ND1 3.23Å; H199-R204 PolarHBondContact O-NH1 2.89Å; H199-G240 CarbonylContact C-O 3.34Å; H199-G240 WeakPolarHBondContact CA-O 3.18Å; H199-Y245 HydrophobicContact CB-CD1 4.16Å; H199-Y245 HydrophobicContact CB-CD2 3.43Å; H199-Y245 VanDerWaalsContact CB-CD2 3.43Å; H199-Y245 HydrophobicContact CB-CE1 4.34Å; H199-Y245 HydrophobicContact CB-CE2 3.63Å; H199-Y245 HydrophobicContact CB-CG 3.71Å; H199-Y245 AromaticContact CG-CD2 3.4Å; H199-Y245 AromaticContact CG-CE2 3.93Å; H199-Y245 AromaticContact CG-CG 3.88Å; H199-Y245 AromaticContact ND1-CD2 3.31Å; H199-Y245 VanDerWaalsContact ND1-CD2 3.31Å; H199-Y245 WeakPolarHBondContact ND1-CD2 3.37Å; H199-Y245 AromaticContact ND1-CE2 3.73Å
200	E	98.5	Very high	97.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	166.6	-163.2	-46	-66.3	151.5	0	0	108.9	R204 T210 W239 G240 F241 A242 L344 M348	E200-R204 IonicContact OE1-CZ 3.29Å; E200-R204 IonicContact OE1-NE 2.81Å; E200-R204 IonicContact OE1-NH2 3.19Å; E200-R204 PolarHBondContact OE1-NH2 3Å; E200-R204 WeakPolarHBondContact OE2-CD 3.43Å; E200-R204 WeakPolarHBondContact OE2-CG 3.23Å; E200-R204 IonicContact OE2-CZ 2.64Å; E200-R204 IonicContact OE2-NE 3.71Å; E200-R204 PolarHBondContact OE2-NE 3.06Å; E200-R204 IonicContact OE2-NH2 2.74Å; E200-T210 HydrophobicContact CG-CG2 3.87Å; E200-T210 PolarHBondContact OE2-OG1 3.42Å; E200-W239 HydrophobicContact CG-CG 4.34Å; E200-G240 PolarHBondContact N-O 3.07Å; E200-F241 WeakPolarHBondContact O-CD2 3.4Å; E200-A242 PolarHBondContact O-N 3.21Å; E200-L344 HydrophobicContact CB-CD1 4.32Å; E200-L344 HydrophobicContact CB-CD2 4.18Å; E200-M348 HydrophobicContact CB-SD 3.89Å
201	S	98.5	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.			trans	-171.7	171.2	178.3	67.6	0	0	0	0	109.8	Q24 Y28 R203 R204	Q24-S201 VanDerWaalsContact CD-OG 3.23Å; Q24-S201 WeakPolarHBondContact CG-OG 3.49Å; Q24-S201 PolarHBondContact OE1-OG 2.82Å; Y28-S201 WeakPolarHBondContact CE2-OG 3.27Å; Y28-S201 WeakPolarHBondContact OH-CB 3.38Å; S201-R203 PolarHBondContact O-N 2.91Å; S201-R203 WeakPolarHBondContact OG-CA 3.34Å; S201-R203 PolarHBondContact OG-N 3.18Å; S201-R204 VanDerWaalsContact O-CB 3.22Å; S201-R204 WeakPolarHBondContact O-CB 3.4Å; S201-R204 PolarHBondContact O-N 3.05Å; S201-R204 PolarHBondContact OG-N 3.47Å
202	P	97.6	Very high	97.6	Very high	18 Å²	18	24.7 Å²	24.7	12%	0.117	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-5.5	165.4	-23.3	33.9	0	0	0	115.6	R211 L347 E351	P202-R211 PolarHBondContact O-NH1 3.5Å; P202-R211 PolarHBondContact O-NH2 3.47Å; P202-L347 HydrophobicContact CG-CD1 4.47Å; P202-L347 HydrophobicContact CG-CD2 4.38Å; P202-L347 HydrophobicContact CG-CG 3.93Å; P202-E351 HydrophobicContact CB-CB 3.6Å; P202-E351 HydrophobicContact CB-CG 3.48Å; P202-E351 VanDerWaalsContact CB-CG 3.48Å; P202-E351 HydrophobicContact CG-CB 3.82Å; P202-E351 HydrophobicContact CG-CG 4.12Å
203	R	97.3	Very high	97.6	Very high	52 Å²	52	24.8 Å²	24.8	20%	0.196	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.3	173.2	-58.5	-174.2	-174	164	4	113	Q24 S27 Y28 E31 R54 S201	Q24-R203 HydrophobicContact CG-CB 4.37Å; S27-R203 WeakPolarHBondContact OG-CD 3.37Å; S27-R203 PolarHBondContact OG-NH1 3.33Å; Y28-R203 HydrophobicContact CE2-CB 4.05Å; Y28-R203 HydrophobicContact CE2-CG 3.98Å; E31-R203 VanDerWaalsContact CD-NH2 3.29Å; E31-R203 IonicContact OE1-CZ 3.52Å; E31-R203 IonicContact OE1-NH1 2.82Å; E31-R203 IonicContact OE1-NH2 2.8Å; E31-R203 PolarHBondContact OE1-NH2 3.41Å; E31-R203 IonicContact OE2-CZ 3.43Å; E31-R203 VanDerWaalsContact OE2-CZ 3.3Å; E31-R203 IonicContact OE2-NH1 2.96Å; E31-R203 PolarHBondContact OE2-NH1 3.21Å; E31-R203 IonicContact OE2-NH2 3.69Å; E31-R203 PolarHBondContact OE2-NH2 2.86Å; R54-R203 PolarHBondContact NE-O 2.9Å; R54-R203 PolarHBondContact NH2-O 3.14Å; R54-R203 VanDerWaalsContact NH2-O 3.14Å; S201-R203 PolarHBondContact O-N 2.91Å; S201-R203 WeakPolarHBondContact OG-CA 3.34Å; S201-R203 PolarHBondContact OG-N 3.18Å
204	R	97.7	Very high	97.6	Very high	30 Å²	30	24.8 Å²	24.8	11%	0.113	13%	0.128	C	C	.	.	S	Bend	trans	-56.6	146.4	179.7	-169.8	65.8	161.4	180	-13.1	111.6	Q24 H199 E200 S201 F208 R211 M348	Q24-R204 VanDerWaalsContact OE1-CB 3.23Å; H199-R204 PolarHBondContact O-NH1 2.89Å; E200-R204 IonicContact OE1-CZ 3.29Å; E200-R204 IonicContact OE1-NE 2.81Å; E200-R204 IonicContact OE1-NH2 3.19Å; E200-R204 PolarHBondContact OE1-NH2 3Å; E200-R204 WeakPolarHBondContact OE2-CD 3.43Å; E200-R204 WeakPolarHBondContact OE2-CG 3.23Å; E200-R204 IonicContact OE2-CZ 2.64Å; E200-R204 IonicContact OE2-NE 3.71Å; E200-R204 PolarHBondContact OE2-NE 3.06Å; E200-R204 IonicContact OE2-NH2 2.74Å; S201-R204 VanDerWaalsContact O-CB 3.22Å; S201-R204 WeakPolarHBondContact O-CB 3.4Å; S201-R204 PolarHBondContact O-N 3.05Å; S201-R204 PolarHBondContact OG-N 3.47Å; R204-F208 HydrophobicContact CG-CB 3.94Å; R204-F208 HydrophobicContact CG-CD2 4.28Å; R204-F208 HydrophobicContact CG-CG 4.36Å; R204-R211 HydrophobicContact CB-CB 4.02Å; R204-R211 HydrophobicContact CB-CG 4.43Å; R204-R211 HydrophobicContact CG-CB 4.12Å; R204-R211 PolarHBondContact O-NH1 3.19Å; R204-M348 HydrophobicContact CB-CE 4.48Å
205	G	94.3	Very high	97.6	Very high	19 Å²	19	26.3 Å²	26.3	20%	0.196	13%	0.134	C	C	.	.			trans	-61.7	137.5	174.5	0	0	0	0	0	111.5	T207 F208 R211	G205-T207 PolarHBondContact O-N 3.16Å; G205-T207 VanDerWaalsContact O-N 3.1Å; G205-F208 PolarHBondContact O-N 3.31Å; G205-F208 VanDerWaalsContact O-N 3.11Å; G205-R211 WeakPolarHBondContact O-CB 3.48Å
206	E	95	Very high	97.5	Very high	106 Å²	106	26.5 Å²	26.5	50%	0.495	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.7	-169.2	-54.5	-177.1	-171.8	0	0	114.3	K212 R215	E206-K212 PolarHBondContact O-N 3.21Å; E206-R215 IonicContact OE1-CZ 3.13Å; E206-R215 IonicContact OE1-NE 3.72Å; E206-R215 IonicContact OE1-NH1 3.5Å; E206-R215 IonicContact OE1-NH2 2.77Å; E206-R215 PolarHBondContact OE1-NH2 3.03Å; E206-R215 IonicContact OE2-CZ 3.03Å; E206-R215 VanDerWaalsContact OE2-CZ 3.29Å; E206-R215 IonicContact OE2-NE 3.5Å; E206-R215 PolarHBondContact OE2-NE 2.92Å; E206-R215 IonicContact OE2-NH2 2.66Å; E206-R215 PolarHBondContact OE2-NH2 2.97Å
207	T	93.3	Very high	97.5	Very high	96 Å²	96	26.2 Å²	26.2	59%	0.589	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14.7	179.8	53.5	0	0	0	0	113.6	H103 G205	H103-T207 PolarHBondContact CD2-OG1 2.75Å; H103-T207 PolarHBondContact NE2-O 2.97Å; H103-T207 PolarHBondContact NE2-OG1 2.92Å; G205-T207 PolarHBondContact O-N 3.16Å; G205-T207 VanDerWaalsContact O-N 3.1Å
208	F	96.6	Very high	97.4	Very high	40 Å²	40	26.3 Å²	26.3	18%	0.175	14%	0.135	C	C	.	.	S	Bend	trans	-71.6	144.6	171.1	-68.7	-83.6	0	0	0	110.1	H103 R204 G205 T210 R211 K212	H103-F208 HydrophobicContact CB-CZ 4.47Å; R204-F208 HydrophobicContact CG-CB 3.94Å; R204-F208 HydrophobicContact CG-CD2 4.28Å; R204-F208 HydrophobicContact CG-CG 4.36Å; G205-F208 PolarHBondContact O-N 3.31Å; G205-F208 VanDerWaalsContact O-N 3.11Å; F208-T210 VanDerWaalsContact C-N 3.34Å; F208-T210 PolarHBondContact O-N 2.99Å; F208-R211 PolarHBondContact O-N 3.44Å; F208-R211 VanDerWaalsContact O-N 3.16Å; F208-K212 WeakPolarHBondContact O-CB 3.41Å; F208-K212 PolarHBondContact O-N 3.25Å
209	V	97.7	Very high	97.4	Very high	50 Å²	50	26.8 Å²	26.8	30%	0.303	13%	0.134	S	C	.	.	H	α-helix	trans	-55.3	-44	-166.4	66.5	0	0	0	0	113.8	K212 I213 L230 W239 V271	V209-K212 PolarHBondContact O-N 2.7Å; V209-I213 HydrophobicContact CG2-CD1 3.84Å; V209-I213 HydrophobicContact CG2-CG1 4.47Å; V209-I213 WeakPolarHBondContact O-CB 3.21Å; V209-I213 WeakPolarHBondContact O-CD1 3.41Å; V209-I213 WeakPolarHBondContact O-CG1 3.31Å; V209-I213 PolarHBondContact O-N 3.44Å; V209-L230 HydrophobicContact CG2-CD2 4.13Å; V209-W239 HydrophobicContact CG1-CZ2 4.37Å; V209-V271 HydrophobicContact CG2-CG1 3.74Å; V209-V271 HydrophobicContact CG2-CG2 4.15Å
210	T	98.4	Very high	97.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-46.2	-179.3	53.8	0	0	0	0	111.9	E200 F208 I213 T214 W239 F274	E200-T210 HydrophobicContact CG-CG2 3.87Å; E200-T210 PolarHBondContact OE2-OG1 3.42Å; F208-T210 VanDerWaalsContact C-N 3.34Å; F208-T210 PolarHBondContact O-N 2.99Å; T210-I213 PolarHBondContact O-N 3.3Å; T210-T214 WeakPolarHBondContact O-CG2 3.21Å; T210-T214 PolarHBondContact O-N 3.27Å; T210-T214 VanDerWaalsContact O-N 3.07Å; T210-T214 PolarHBondContact O-OG1 2.96Å; T210-W239 HydrophobicContact CG2-CZ2 4.22Å; T210-F274 VanDerWaalsContact CB-CZ 3.47Å; T210-F274 HydrophobicContact CG2-CD2 3.86Å; T210-F274 HydrophobicContact CG2-CE1 4.34Å; T210-F274 HydrophobicContact CG2-CE2 3.41Å; T210-F274 VanDerWaalsContact CG2-CE2 3.41Å; T210-F274 HydrophobicContact CG2-CZ 3.71Å
211	R	98	Very high	97.2	Very high	13 Å²	13	31.5 Å²	31.5	5%	0.049	16%	0.155	C	C	.	.	H	α-helix	trans	-72.8	-35.4	178.2	-165.8	62.1	-175.7	-88.8	18.1	112.6	P202 R204 G205 F208 I213 T214 R215 M348 D352	P202-R211 PolarHBondContact O-NH1 3.5Å; P202-R211 PolarHBondContact O-NH2 3.47Å; R204-R211 HydrophobicContact CB-CB 4.02Å; R204-R211 HydrophobicContact CB-CG 4.43Å; R204-R211 HydrophobicContact CG-CB 4.12Å; R204-R211 PolarHBondContact O-NH1 3.19Å; G205-R211 WeakPolarHBondContact O-CB 3.48Å; F208-R211 PolarHBondContact O-N 3.44Å; F208-R211 VanDerWaalsContact O-N 3.16Å; R211-I213 VanDerWaalsContact C-N 3.34Å; R211-T214 VanDerWaalsContact CA-OG1 3.28Å; R211-T214 WeakPolarHBondContact CA-OG1 3.22Å; R211-T214 PolarHBondContact O-OG1 3.42Å; R211-T214 VanDerWaalsContact O-OG1 3.14Å; R211-R215 HydrophobicContact CG-CG 4.25Å; R211-R215 VanDerWaalsContact O-CB 3.32Å; R211-R215 WeakPolarHBondContact O-CB 3.34Å; R211-R215 VanDerWaalsContact O-CG 3.22Å; R211-R215 WeakPolarHBondContact O-CG 3.32Å; R211-R215 PolarHBondContact O-N 2.89Å; R211-M348 HydrophobicContact CB-CE 4.25Å; R211-D352 WeakPolarHBondContact CD-OD2 3.32Å; R211-D352 IonicContact CZ-OD1 2.89Å; R211-D352 VanDerWaalsContact CZ-OD1 3.26Å; R211-D352 IonicContact CZ-OD2 3.26Å; R211-D352 IonicContact NE-OD1 3.9Å; R211-D352 PolarHBondContact NE-OD1 3.42Å; R211-D352 IonicContact NE-OD2 3.76Å; R211-D352 PolarHBondContact NE-OD2 3Å; R211-D352 IonicContact NH2-OD1 3.37Å; R211-D352 PolarHBondContact NH2-OD1 3.41Å
212	K	98.1	Very high	97.1	Very high	39 Å²	39	36.3 Å²	36.3	17%	0.17	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-44.9	173.4	-175.7	-173.4	-177.7	-170.3	0	111.1	E206 F208 V209 A216 L228 E229 L230 Y313	E206-K212 PolarHBondContact O-N 3.21Å; F208-K212 WeakPolarHBondContact O-CB 3.41Å; F208-K212 PolarHBondContact O-N 3.25Å; V209-K212 PolarHBondContact O-N 2.7Å; K212-A216 VanDerWaalsContact O-CB 3.27Å; K212-A216 WeakPolarHBondContact O-CB 3.35Å; K212-A216 PolarHBondContact O-N 2.93Å; K212-A216 VanDerWaalsContact O-N 3.12Å; K212-L228 HydrophobicContact CG-CD1 4.2Å; K212-E229 WeakPolarHBondContact CE-O 3.26Å; K212-E229 PolarHBondContact NZ-O 2.82Å; K212-L230 HydrophobicContact CD-CD2 4.27Å; K212-Y313 PolarHBondContact NZ-OH 3.2Å
213	I	98.6	Very high	97	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-58.4	177.5	-69.8	161.2	0	0	0	110.3	V209 T210 R211 R215 A216 V217 L228 L230 V271 F274 T275 A278	V209-I213 HydrophobicContact CG2-CD1 3.84Å; V209-I213 HydrophobicContact CG2-CG1 4.47Å; V209-I213 WeakPolarHBondContact O-CB 3.21Å; V209-I213 WeakPolarHBondContact O-CD1 3.41Å; V209-I213 WeakPolarHBondContact O-CG1 3.31Å; V209-I213 PolarHBondContact O-N 3.44Å; T210-I213 PolarHBondContact O-N 3.3Å; R211-I213 VanDerWaalsContact C-N 3.34Å; I213-R215 PolarHBondContact O-N 3.44Å; I213-A216 PolarHBondContact O-N 3.3Å; I213-V217 HydrophobicContact CG2-CG2 4.04Å; I213-V217 WeakPolarHBondContact O-CB 3.32Å; I213-V217 VanDerWaalsContact O-CG2 3.29Å; I213-V217 WeakPolarHBondContact O-CG2 3.5Å; I213-V217 PolarHBondContact O-N 3.06Å; I213-L228 HydrophobicContact CB-CD2 4.28Å; I213-L228 HydrophobicContact CG1-CD2 3.98Å; I213-L228 HydrophobicContact CG2-CD2 4.29Å; I213-L230 HydrophobicContact CD1-CD1 4.31Å; I213-L230 HydrophobicContact CD1-CD2 4.48Å; I213-L230 HydrophobicContact CG1-CD1 4.11Å; I213-L230 HydrophobicContact CG1-CD2 3.99Å; I213-V271 HydrophobicContact CD1-CG1 4.15Å; I213-F274 HydrophobicContact CB-CD1 4.17Å; I213-F274 HydrophobicContact CB-CE1 4.14Å; I213-F274 HydrophobicContact CD1-CD1 3.66Å; I213-F274 HydrophobicContact CD1-CE1 4.32Å; I213-F274 HydrophobicContact CD1-CG 4.37Å; I213-F274 HydrophobicContact CG2-CD1 3.95Å; I213-F274 HydrophobicContact CG2-CE1 4.1Å; I213-T275 WeakPolarHBondContact CD1-OG1 3.29Å; I213-A278 HydrophobicContact CG2-CB 3.77Å
214	T	98.5	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.2	-45	-175.1	42.7	0	0	0	0	112.5	T210 R211 A216 V217 V218 F274 M348 V349 D352	T210-T214 WeakPolarHBondContact O-CG2 3.21Å; T210-T214 PolarHBondContact O-N 3.27Å; T210-T214 VanDerWaalsContact O-N 3.07Å; T210-T214 PolarHBondContact O-OG1 2.96Å; R211-T214 VanDerWaalsContact CA-OG1 3.28Å; R211-T214 WeakPolarHBondContact CA-OG1 3.22Å; R211-T214 PolarHBondContact O-OG1 3.42Å; R211-T214 VanDerWaalsContact O-OG1 3.14Å; T214-A216 PolarHBondContact O-N 3.26Å; T214-V217 PolarHBondContact O-N 3.12Å; T214-V218 PolarHBondContact O-N 2.93Å; T214-F274 HydrophobicContact CG2-CE1 3.92Å; T214-F274 HydrophobicContact CG2-CZ 4.18Å; T214-M348 HydrophobicContact CG2-CB 3.61Å; T214-M348 HydrophobicContact CG2-CE 4.38Å; T214-V349 HydrophobicContact CG2-CG2 3.71Å; T214-D352 WeakPolarHBondContact CB-OD2 3.36Å; T214-D352 PolarHBondContact OG1-OD2 2.82Å; T214-D352 VanDerWaalsContact OG1-OD2 3.12Å
215	R	97.7	Very high	96.9	Very high	33 Å²	33	40.3 Å²	40.3	13%	0.125	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-43.6	173.6	-69.8	175	67.9	76.3	-13.9	113	E206 R211 I213 V218 R219 D352 T361	E206-R215 IonicContact OE1-CZ 3.13Å; E206-R215 IonicContact OE1-NE 3.72Å; E206-R215 IonicContact OE1-NH1 3.5Å; E206-R215 IonicContact OE1-NH2 2.77Å; E206-R215 PolarHBondContact OE1-NH2 3.03Å; E206-R215 IonicContact OE2-CZ 3.03Å; E206-R215 VanDerWaalsContact OE2-CZ 3.29Å; E206-R215 IonicContact OE2-NE 3.5Å; E206-R215 PolarHBondContact OE2-NE 2.92Å; E206-R215 IonicContact OE2-NH2 2.66Å; E206-R215 PolarHBondContact OE2-NH2 2.97Å; R211-R215 HydrophobicContact CG-CG 4.25Å; R211-R215 VanDerWaalsContact O-CB 3.32Å; R211-R215 WeakPolarHBondContact O-CB 3.34Å; R211-R215 VanDerWaalsContact O-CG 3.22Å; R211-R215 WeakPolarHBondContact O-CG 3.32Å; R211-R215 PolarHBondContact O-N 2.89Å; I213-R215 PolarHBondContact O-N 3.44Å; R215-V218 VanDerWaalsContact O-CG2 3.23Å; R215-V218 WeakPolarHBondContact O-CG2 3.28Å; R215-R219 WeakPolarHBondContact O-CB 3.14Å; R215-R219 WeakPolarHBondContact O-CD 3.31Å; R215-R219 WeakPolarHBondContact O-CG 3.2Å; R215-R219 PolarHBondContact O-N 3.21Å; R215-D352 HydrophobicContact CG-CB 4.44Å; R215-D352 VanDerWaalsContact CG-CG 3.49Å; R215-D352 WeakPolarHBondContact CG-OD1 3.4Å; R215-D352 VanDerWaalsContact CG-OD2 3.31Å; R215-D352 WeakPolarHBondContact CG-OD2 3.33Å; R215-D352 PolarHBondContact N-OD2 3.27Å; R215-D352 IonicContact NH1-OD1 3.08Å; R215-T361 VanDerWaalsContact NH2-CG2 3.26Å
216	A	97.9	Very high	97	Very high	3 Å²	3	45.7 Å²	45.7	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-40.1	179.9	0	0	0	0	0	111.8	K212 I213 T214 V218 R219 I220 L228	K212-A216 VanDerWaalsContact O-CB 3.27Å; K212-A216 WeakPolarHBondContact O-CB 3.35Å; K212-A216 PolarHBondContact O-N 2.93Å; K212-A216 VanDerWaalsContact O-N 3.12Å; I213-A216 PolarHBondContact O-N 3.3Å; T214-A216 PolarHBondContact O-N 3.26Å; A216-V218 PolarHBondContact O-N 2.85Å; A216-R219 PolarHBondContact O-N 3.14Å; A216-I220 WeakPolarHBondContact O-CB 3.17Å; A216-I220 VanDerWaalsContact O-CG1 3.23Å; A216-I220 WeakPolarHBondContact O-CG1 3.22Å; A216-I220 PolarHBondContact O-N 2.67Å; A216-L228 HydrophobicContact CB-CB 3.97Å; A216-L228 HydrophobicContact CB-CD1 3.67Å; A216-L228 HydrophobicContact CB-CD2 4.21Å; A216-L228 HydrophobicContact CB-CG 4.14Å
217	V	98.1	Very high	97.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.9	-50.4	177.6	166.4	0	0	0	0	111.1	I213 T214 R219 I220 K221 A278 F279 V282	I213-V217 HydrophobicContact CG2-CG2 4.04Å; I213-V217 WeakPolarHBondContact O-CB 3.32Å; I213-V217 VanDerWaalsContact O-CG2 3.29Å; I213-V217 WeakPolarHBondContact O-CG2 3.5Å; I213-V217 PolarHBondContact O-N 3.06Å; T214-V217 PolarHBondContact O-N 3.12Å; V217-R219 VanDerWaalsContact C-N 3.31Å; V217-R219 PolarHBondContact O-N 3.06Å; V217-I220 PolarHBondContact O-N 3.18Å; V217-K221 WeakPolarHBondContact O-CB 3.39Å; V217-K221 PolarHBondContact O-N 2.89Å; V217-A278 WeakPolarHBondContact CG1-O 3.42Å; V217-A278 HydrophobicContact CG2-CB 3.99Å; V217-F279 HydrophobicContact CG2-CD1 4.19Å; V217-F279 HydrophobicContact CG2-CD2 3.56Å; V217-F279 HydrophobicContact CG2-CE1 4.18Å; V217-F279 HydrophobicContact CG2-CE2 3.55Å; V217-F279 HydrophobicContact CG2-CG 3.91Å; V217-F279 HydrophobicContact CG2-CZ 3.88Å; V217-V282 HydrophobicContact CG1-CB 4.25Å; V217-V282 HydrophobicContact CG1-CG1 3.76Å; V217-V282 HydrophobicContact CG1-CG2 3.42Å; V217-V282 VanDerWaalsContact CG1-CG2 3.42Å
218	V	97.5	Very high	97.3	Very high	3 Å²	3	38 Å²	38	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-35.4	-179.9	-57.8	0	0	0	0	112	T214 R215 A216 K221 K222 V349 D352 M353 L356	T214-V218 PolarHBondContact O-N 2.93Å; R215-V218 VanDerWaalsContact O-CG2 3.23Å; R215-V218 WeakPolarHBondContact O-CG2 3.28Å; A216-V218 PolarHBondContact O-N 2.85Å; V218-K221 PolarHBondContact O-N 3.28Å; V218-K222 WeakPolarHBondContact O-CG 3.35Å; V218-K222 PolarHBondContact O-N 2.68Å; V218-K222 VanDerWaalsContact O-N 3.15Å; V218-V349 HydrophobicContact CG1-CG1 3.82Å; V218-D352 HydrophobicContact CG1-CB 4.22Å; V218-D352 HydrophobicContact CG2-CB 3.96Å; V218-M353 HydrophobicContact CB-CE 4.11Å; V218-M353 HydrophobicContact CB-SD 4.31Å; V218-M353 HydrophobicContact CG1-CB 4.06Å; V218-M353 HydrophobicContact CG1-CE 4.03Å; V218-L356 HydrophobicContact CB-CD2 4.38Å; V218-L356 HydrophobicContact CG2-CD2 4.12Å
219	R	97.3	Very high	97.4	Very high	40 Å²	40	37.2 Å²	37.2	15%	0.151	20%	0.196	C	C	.	.	H	α-helix	trans	-70	-41	176.9	-70.4	170.3	64.4	83.6	12.9	112.2	R215 A216 V217 K222 G223 L224 Q225 L356 P362 V363	R215-R219 WeakPolarHBondContact O-CB 3.14Å; R215-R219 WeakPolarHBondContact O-CD 3.31Å; R215-R219 WeakPolarHBondContact O-CG 3.2Å; R215-R219 PolarHBondContact O-N 3.21Å; A216-R219 PolarHBondContact O-N 3.14Å; V217-R219 VanDerWaalsContact C-N 3.31Å; V217-R219 PolarHBondContact O-N 3.06Å; R219-K222 CarbonylContact O-C 3.53Å; R219-K222 PolarHBondContact O-N 2.9Å; R219-G223 PolarHBondContact O-N 3.26Å; R219-G223 VanDerWaalsContact O-N 3.11Å; R219-L224 HydrophobicContact CB-CB 4.25Å; R219-L224 PolarHBondContact NH2-O 3.22Å; R219-L224 PolarHBondContact O-N 2.87Å; R219-Q225 HydrophobicContact CB-CB 3.86Å; R219-Q225 PolarHBondContact O-N 3.1Å; R219-L356 HydrophobicContact CG-CD2 4.39Å; R219-P362 PolarHBondContact NH1-O 3.14Å; R219-V363 PolarHBondContact NH1-OXT 3.22Å; R219-V363 PolarHBondContact NH2-OXT 3.34Å
220	I	97.5	Very high	97.4	Very high	17 Å²	17	35 Å²	35	9%	0.087	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-46.5	174	-71.3	164.3	0	0	0	109.8	A216 V217 K222 G223 Q225 L228 F279 L306	A216-I220 WeakPolarHBondContact O-CB 3.17Å; A216-I220 VanDerWaalsContact O-CG1 3.23Å; A216-I220 WeakPolarHBondContact O-CG1 3.22Å; A216-I220 PolarHBondContact O-N 2.67Å; V217-I220 PolarHBondContact O-N 3.18Å; I220-K222 PolarHBondContact O-N 3.38Å; I220-G223 PolarHBondContact O-N 2.96Å; I220-Q225 VanDerWaalsContact CA-O 3.32Å; I220-Q225 WeakPolarHBondContact CA-O 3.38Å; I220-Q225 HydrophobicContact CG1-CB 4.08Å; I220-Q225 HydrophobicContact CG1-CG 4.12Å; I220-Q225 VanDerWaalsContact CG1-O 3.29Å; I220-Q225 WeakPolarHBondContact CG1-O 3.39Å; I220-L228 HydrophobicContact CD1-CB 4.04Å; I220-F279 HydrophobicContact CD1-CE1 4.11Å; I220-F279 HydrophobicContact CD1-CZ 3.81Å; I220-F279 HydrophobicContact CG2-CE1 4.26Å; I220-L306 HydrophobicContact CG2-CD1 4.31Å; I220-L306 HydrophobicContact CG2-CD2 3.97Å
221	K	96.5	Very high	97.3	Very high	101 Å²	101	35.4 Å²	35.4	44%	0.439	19%	0.187	S	C	.	.	H	α-helix	trans	-57.5	-35	176.8	-175.7	64.8	179.2	-164	0	112.9	V217 V218 V282 I284 M353	V217-K221 WeakPolarHBondContact O-CB 3.39Å; V217-K221 PolarHBondContact O-N 2.89Å; V218-K221 PolarHBondContact O-N 3.28Å; K221-V282 HydrophobicContact CB-CB 4.31Å; K221-V282 HydrophobicContact CB-CG2 4.27Å; K221-V282 HydrophobicContact CD-CB 4.2Å; K221-V282 HydrophobicContact CD-CG2 4.36Å; K221-V282 WeakPolarHBondContact CD-O 3.44Å; K221-V282 WeakPolarHBondContact CE-O 3.21Å; K221-V282 HydrophobicContact CG-CB 4.12Å; K221-V282 HydrophobicContact CG-CG2 4.47Å; K221-V282 PolarHBondContact NZ-O 3.43Å; K221-I284 HydrophobicContact CD-CD1 4.1Å; K221-I284 HydrophobicContact CD-CG1 4.47Å; K221-M353 HydrophobicContact CG-CE 4.46Å
222	K	95.7	Very high	97.2	Very high	100 Å²	100	36.4 Å²	36.4	44%	0.435	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.9	177.8	-62.9	-70.5	-173.4	173.1	0	113.8	V218 R219 I220 L224 M353 L356 E357	V218-K222 WeakPolarHBondContact O-CG 3.35Å; V218-K222 PolarHBondContact O-N 2.68Å; V218-K222 VanDerWaalsContact O-N 3.15Å; R219-K222 CarbonylContact O-C 3.53Å; R219-K222 PolarHBondContact O-N 2.9Å; I220-K222 PolarHBondContact O-N 3.38Å; K222-L224 VanDerWaalsContact C-N 3.28Å; K222-L224 HydrophobicContact CB-CD1 4.17Å; K222-L224 HydrophobicContact CB-CG 4.13Å; K222-L224 PolarHBondContact O-N 2.75Å; K222-M353 WeakPolarHBondContact CE-SD 3.32Å; K222-M353 HydrophobicContact CG-SD 4.49Å; K222-L356 HydrophobicContact CB-CD2 4.19Å; K222-L356 HydrophobicContact CG-CD2 3.75Å; K222-E357 IonicContact NZ-OE1 3.26Å; K222-E357 PolarHBondContact NZ-OE1 3.3Å
223	G	95.5	Very high	97.2	Very high	59 Å²	59	34.7 Å²	34.7	61%	0.608	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	17.6	-179.9	0	0	0	0	0	115.1	R219 I220	R219-G223 PolarHBondContact O-N 3.26Å; R219-G223 VanDerWaalsContact O-N 3.11Å; I220-G223 PolarHBondContact O-N 2.96Å
224	L	95.7	Very high	97.1	Very high	71 Å²	71	39.4 Å²	39.4	37%	0.372	21%	0.211	S	C	.	.	S	Bend	trans	-93.4	-6.1	-178.9	-58.3	176.1	0	0	0	113.2	R219 K222 L356 V363	R219-L224 HydrophobicContact CB-CB 4.25Å; R219-L224 PolarHBondContact NH2-O 3.22Å; R219-L224 PolarHBondContact O-N 2.87Å; K222-L224 VanDerWaalsContact C-N 3.28Å; K222-L224 HydrophobicContact CB-CD1 4.17Å; K222-L224 HydrophobicContact CB-CG 4.13Å; K222-L224 PolarHBondContact O-N 2.75Å; L224-L356 HydrophobicContact CD1-CD1 3.77Å; L224-L356 HydrophobicContact CD1-CD2 4.09Å; L224-L356 HydrophobicContact CD1-CG 4.33Å; L224-V363 HydrophobicContact CD1-CG1 4.47Å; L224-V363 HydrophobicContact CD2-CG1 4.07Å
225	Q	96.6	Very high	97	Very high	55 Å²	55	39.7 Å²	39.7	26%	0.257	21%	0.213	S	C	.	.			trans	-151.1	140.8	177.3	179.9	171	-19.1	0	0	108.3	R219 I220 V227	R219-Q225 HydrophobicContact CB-CB 3.86Å; R219-Q225 PolarHBondContact O-N 3.1Å; I220-Q225 VanDerWaalsContact CA-O 3.32Å; I220-Q225 WeakPolarHBondContact CA-O 3.38Å; I220-Q225 HydrophobicContact CG1-CB 4.08Å; I220-Q225 HydrophobicContact CG1-CG 4.12Å; I220-Q225 VanDerWaalsContact CG1-O 3.29Å; I220-Q225 WeakPolarHBondContact CG1-O 3.39Å; Q225-V227 PolarHBondContact NE2-O 3.49Å
226	N	96.6	Very high	97	Very high	131 Å²	131	40.7 Å²	40.7	70%	0.701	22%	0.219	S	C	*	.	S	Bend	trans	-92.1	-41.7	-177.1	-63	-24.6	0	0	0	112.4
227	V	97.7	Very high	97	Very high	41 Å²	41	41.1 Å²	41.1	25%	0.248	22%	0.22	C	C	.	.			trans	-139.6	138.9	-171.7	-175.4	0	0	0	0	110.4	Q225 V305 L306 R308	Q225-V227 PolarHBondContact NE2-O 3.49Å; V227-V305 WeakPolarHBondContact CG2-O 3.45Å; V227-L306 CarbonylContact C-O 3.54Å; V227-L306 WeakPolarHBondContact CA-O 3.13Å; V227-R308 HydrophobicContact CG1-CB 4.26Å; V227-R308 HydrophobicContact CG1-CG 3.76Å
228	L	98.3	Very high	97	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.3	165.5	167.6	59.1	0	0	0	109.4	K212 I213 A216 I220 L230 T275 F279 L306 V307 R308	K212-L228 HydrophobicContact CG-CD1 4.2Å; I213-L228 HydrophobicContact CB-CD2 4.28Å; I213-L228 HydrophobicContact CG1-CD2 3.98Å; I213-L228 HydrophobicContact CG2-CD2 4.29Å; A216-L228 HydrophobicContact CB-CB 3.97Å; A216-L228 HydrophobicContact CB-CD1 3.67Å; A216-L228 HydrophobicContact CB-CD2 4.21Å; A216-L228 HydrophobicContact CB-CG 4.14Å; I220-L228 HydrophobicContact CD1-CB 4.04Å; L228-L230 HydrophobicContact CD1-CD2 4.02Å; L228-L230 HydrophobicContact CD1-CG 4.19Å; L228-L230 HydrophobicContact CD2-CD1 4.03Å; L228-L230 HydrophobicContact CD2-CD2 4.48Å; L228-L230 HydrophobicContact CD2-CG 4.24Å; L228-L230 HydrophobicContact CG-CD1 4.27Å; L228-L230 HydrophobicContact CG-CD2 4.32Å; L228-L230 HydrophobicContact CG-CG 3.98Å; L228-T275 HydrophobicContact CD2-CG2 4.49Å; L228-F279 HydrophobicContact CD2-CE2 4.21Å; L228-L306 PolarHBondContact N-O 3.09Å; L228-V307 HydrophobicContact CB-CG2 4.47Å; L228-V307 CarbonylContact O-C 3.6Å; L228-V307 VanDerWaalsContact O-CA 3.26Å; L228-V307 WeakPolarHBondContact O-CA 3.47Å; L228-R308 PolarHBondContact O-N 3.11Å
229	E	97.9	Very high	97.1	Very high	22 Å²	22	41.1 Å²	41.1	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.5	172.8	-60.9	-169.2	125.8	0	0	111.4	K212 R308 N310 R312 Y313	K212-E229 WeakPolarHBondContact CE-O 3.26Å; K212-E229 PolarHBondContact NZ-O 2.82Å; E229-R308 CarbonylContact C-O 3.19Å; E229-R308 VanDerWaalsContact CA-O 3.3Å; E229-R308 WeakPolarHBondContact CA-O 3.5Å; E229-R308 HydrophobicContact CB-CG 4.48Å; E229-R308 HydrophobicContact CG-CG 3.82Å; E229-R308 IonicContact OE1-CZ 2.77Å; E229-R308 IonicContact OE1-NE 3.66Å; E229-R308 PolarHBondContact OE1-NE 3.44Å; E229-R308 IonicContact OE1-NH2 3.67Å; E229-R308 PolarHBondContact OE1-NH2 3.34Å; E229-N310 HydrophobicContact CB-CB 4.24Å; E229-N310 VanDerWaalsContact CD-ND2 3.33Å; E229-N310 PolarHBondContact OE1-ND2 2.94Å; E229-N310 PolarHBondContact OE2-ND2 3.09Å; E229-R312 IonicContact OE2-CZ 3.11Å; E229-R312 VanDerWaalsContact OE2-CZ 3.26Å; E229-R312 IonicContact OE2-NE 3.96Å; E229-R312 PolarHBondContact OE2-NE 2.83Å; E229-R312 IonicContact OE2-NH2 3.33Å; E229-R312 PolarHBondContact OE2-NH2 2.97Å; E229-Y313 HydrophobicContact CB-CD2 4.24Å; E229-Y313 HydrophobicContact CB-CE2 3.59Å
230	L	97.9	Very high	97.1	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	169.4	178.1	-67.7	173.5	0	0	0	111.2	V209 K212 I213 L228 L233 V271 T275 V307 R308 V309 N310	V209-L230 HydrophobicContact CG2-CD2 4.13Å; K212-L230 HydrophobicContact CD-CD2 4.27Å; I213-L230 HydrophobicContact CD1-CD1 4.31Å; I213-L230 HydrophobicContact CD1-CD2 4.48Å; I213-L230 HydrophobicContact CG1-CD1 4.11Å; I213-L230 HydrophobicContact CG1-CD2 3.99Å; L228-L230 HydrophobicContact CD1-CD2 4.02Å; L228-L230 HydrophobicContact CD1-CG 4.19Å; L228-L230 HydrophobicContact CD2-CD1 4.03Å; L228-L230 HydrophobicContact CD2-CD2 4.48Å; L228-L230 HydrophobicContact CD2-CG 4.24Å; L228-L230 HydrophobicContact CG-CD1 4.27Å; L228-L230 HydrophobicContact CG-CD2 4.32Å; L228-L230 HydrophobicContact CG-CG 3.98Å; L230-L233 HydrophobicContact CB-CD2 3.98Å; L230-L233 HydrophobicContact CD1-CD2 3.61Å; L230-L233 HydrophobicContact CG-CD2 4.45Å; L230-V271 HydrophobicContact CD1-CG1 4.23Å; L230-T275 HydrophobicContact CD1-CG2 4.38Å; L230-V307 HydrophobicContact CD1-CG1 4Å; L230-V307 HydrophobicContact CG-CG1 4.47Å; L230-R308 PolarHBondContact N-O 2.89Å; L230-V309 CarbonylContact O-C 3.53Å; L230-V309 WeakPolarHBondContact O-CA 3.27Å; L230-N310 PolarHBondContact O-N 3.2Å
231	G	96.3	Very high	97.2	Very high	11 Å²	11	40.1 Å²	40.1	11%	0.113	22%	0.216	C	C	.	.	S	Bend	trans	-96.1	-124.7	171.2	0	0	0	0	0	110.1	L233	G231-L233 PolarHBondContact O-N 3.23Å
232	N	95.6	Very high	97.3	Very high	34 Å²	34	35.3 Å²	35.3	18%	0.182	20%	0.195	C	C	.	.			trans	-65.9	104.6	178.3	-174.3	3.4	0	0	0	112.6	N234 S235 F314	N232-N234 VanDerWaalsContact C-N 3.28Å; N232-N234 PolarHBondContact O-N 3.45Å; N232-N234 PolarHBondContact OD1-N 3.42Å; N232-S235 PolarHBondContact OD1-N 3.46Å; N232-F314 HydrophobicContact CB-CD1 4.13Å; N232-F314 HydrophobicContact CB-CE1 3.73Å; N232-F314 HydrophobicContact CB-CZ 4.38Å
233	L	97.2	Very high	97.4	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.1	176.4	-67.8	172.2	0	0	0	113.5	L230 G231 S235 V271 R272 W288 E295 V309	L230-L233 HydrophobicContact CB-CD2 3.98Å; L230-L233 HydrophobicContact CD1-CD2 3.61Å; L230-L233 HydrophobicContact CG-CD2 4.45Å; G231-L233 PolarHBondContact O-N 3.23Å; L233-S235 VanDerWaalsContact C-N 3.35Å; L233-V271 HydrophobicContact CD2-CG1 4.21Å; L233-V271 PolarHBondContact O-N 3.46Å; L233-R272 HydrophobicContact CB-CB 4.38Å; L233-R272 PolarHBondContact O-N 3.2Å; L233-W288 HydrophobicContact CD1-CE3 4.03Å; L233-W288 HydrophobicContact CD1-CH2 3.77Å; L233-W288 HydrophobicContact CD1-CZ3 3.32Å; L233-W288 HydrophobicContact CD2-CH2 4.01Å; L233-W288 HydrophobicContact CD2-CZ3 4.39Å; L233-W288 HydrophobicContact CG-CZ3 4.49Å; L233-E295 HydrophobicContact CD1-CG 4.32Å; L233-V309 HydrophobicContact CD1-CG2 3.59Å; L233-V309 HydrophobicContact CG-CG2 4.06Å
234	N	96.9	Very high	97.5	Very high	99 Å²	99	29.4 Å²	29.4	53%	0.529	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.5	-175.2	-57.8	-31.3	0	0	0	112.5	N232 E236 R272	N232-N234 VanDerWaalsContact C-N 3.28Å; N232-N234 PolarHBondContact O-N 3.45Å; N232-N234 PolarHBondContact OD1-N 3.42Å; N234-E236 PolarHBondContact O-N 3.33Å; N234-R272 PolarHBondContact OD1-NH2 2.79Å; N234-R272 VanDerWaalsContact OD1-NH2 3.14Å
235	S	96.3	Very high	97.6	Very high	6 Å²	6	26 Å²	26	4%	0.042	14%	0.14	C	C	.	.			trans	-66.3	125.4	176	-153.7	0	0	0	0	110	N232 L233 R237 S270 V271 V319	N232-S235 PolarHBondContact OD1-N 3.46Å; L233-S235 VanDerWaalsContact C-N 3.35Å; S235-R237 PolarHBondContact OG-NH1 3.38Å; S235-R237 PolarHBondContact OG-NH2 3.31Å; S235-S270 CarbonylContact O-C 3.59Å; S235-S270 WeakPolarHBondContact O-CA 3.27Å; S235-V271 PolarHBondContact O-N 2.95Å; S235-V319 PolarHBondContact OG-O 3.04Å; S235-V319 VanDerWaalsContact OG-O 3.1Å
236	E	97.9	Very high	97.7	Very high	54 Å²	54	23.5 Å²	23.5	25%	0.252	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.6	-177.6	-64.2	-175.8	107.7	0	0	110.9	N234 K268 H269 D320 L321 L322	N234-E236 PolarHBondContact O-N 3.33Å; E236-K268 VanDerWaalsContact OE1-CE 3.31Å; E236-K268 WeakPolarHBondContact OE1-CE 3.35Å; E236-K268 IonicContact OE1-NZ 2.92Å; E236-K268 PolarHBondContact OE1-NZ 3.15Å; E236-K268 IonicContact OE2-NZ 2.63Å; E236-K268 PolarHBondContact OE2-NZ 3.4Å; E236-H269 CarbonylContact C-O 3.56Å; E236-H269 WeakPolarHBondContact CA-O 3.38Å; E236-D320 PolarHBondContact N-O 2.74Å; E236-L321 HydrophobicContact CB-CD1 3.79Å; E236-L322 PolarHBondContact O-N 3.07Å
237	R	98.3	Very high	97.8	Very high	12 Å²	12	21.9 Å²	21.9	5%	0.045	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.6	179.7	-66	-64.4	179.5	-75.4	-2	111.3	S235 W239 K268 H269 E318 V319 L322	S235-R237 PolarHBondContact OG-NH1 3.38Å; S235-R237 PolarHBondContact OG-NH2 3.31Å; R237-W239 HydrophobicContact CB-CD2 3.75Å; R237-W239 VanDerWaalsContact CB-CE2 3.46Å; R237-W239 HydrophobicContact CB-CE3 4.11Å; R237-W239 HydrophobicContact CB-CG 4.34Å; R237-W239 HydrophobicContact CB-CH2 3.99Å; R237-W239 HydrophobicContact CB-CZ2 3.6Å; R237-W239 HydrophobicContact CB-CZ3 4.25Å; R237-W239 HydrophobicContact CG-CH2 4.4Å; R237-W239 HydrophobicContact CG-CZ2 3.83Å; R237-K268 WeakPolarHBondContact O-CA 3.44Å; R237-H269 PolarHBondContact N-O 3.06Å; R237-H269 PolarHBondContact O-N 3.33Å; R237-E318 IonicContact NH2-OE1 3.37Å; R237-V319 VanDerWaalsContact CZ-O 3.27Å; R237-V319 PolarHBondContact NH1-O 3.31Å; R237-V319 PolarHBondContact NH2-O 2.64Å; R237-L322 CarbonylContact C-O 3.58Å
238	D	98.5	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.2	162	178.3	-53.2	0	0	0	109.1	F197 N198 A264 S265 G266 E267 L322 G324	F197-D238 HydrophobicContact CB-CB 4.29Å; F197-D238 HydrophobicContact CD1-CB 3.84Å; F197-D238 HydrophobicContact CG-CB 4.38Å; N198-D238 VanDerWaalsContact CB-O 3.29Å; N198-D238 WeakPolarHBondContact CB-O 3.09Å; N198-D238 PolarHBondContact N-O 2.64Å; D238-A264 WeakPolarHBondContact OD2-CB 3.32Å; D238-S265 VanDerWaalsContact CG-OG 3.31Å; D238-S265 PolarHBondContact OD1-N 3.17Å; D238-S265 PolarHBondContact OD1-OG 3.33Å; D238-S265 PolarHBondContact OD2-N 2.86Å; D238-G266 WeakPolarHBondContact OD2-CA 3.47Å; D238-G266 PolarHBondContact OD2-N 2.97Å; D238-E267 VanDerWaalsContact CA-O 3.28Å; D238-E267 WeakPolarHBondContact CA-O 3.23Å; D238-L322 PolarHBondContact N-O 2.86Å; D238-G324 PolarHBondContact OD2-N 3.2Å
239	W	98.6	Very high	97.9	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.015	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.1	-178.1	-73.3	-63.8	0	0	0	111	N198 E200 V209 T210 R237 H269 V271 F274 F341 L344	N198-W239 HydrophobicContact CB-CG 4.45Å; N198-W239 CarbonylContact O-C 3.21Å; N198-W239 VanDerWaalsContact O-CA 3.32Å; N198-W239 WeakPolarHBondContact O-CA 3.3Å; E200-W239 HydrophobicContact CG-CG 4.34Å; V209-W239 HydrophobicContact CG1-CZ2 4.37Å; T210-W239 HydrophobicContact CG2-CZ2 4.22Å; R237-W239 HydrophobicContact CB-CD2 3.75Å; R237-W239 VanDerWaalsContact CB-CE2 3.46Å; R237-W239 HydrophobicContact CB-CE3 4.11Å; R237-W239 HydrophobicContact CB-CG 4.34Å; R237-W239 HydrophobicContact CB-CH2 3.99Å; R237-W239 HydrophobicContact CB-CZ2 3.6Å; R237-W239 HydrophobicContact CB-CZ3 4.25Å; R237-W239 HydrophobicContact CG-CH2 4.4Å; R237-W239 HydrophobicContact CG-CZ2 3.83Å; W239-H269 HydrophobicContact CE3-CB 3.98Å; W239-H269 HydrophobicContact CZ3-CB 3.75Å; W239-H269 WeakPolarHBondContact CZ3-O 3.42Å; W239-V271 HydrophobicContact CH2-CG2 4.19Å; W239-V271 HydrophobicContact CZ2-CG2 4.4Å; W239-F274 HydrophobicContact CD2-CD2 4.45Å; W239-F274 HydrophobicContact CE3-CD2 4.31Å; W239-F274 HydrophobicContact CH2-CB 4.28Å; W239-F274 HydrophobicContact CZ3-CB 4.24Å; W239-F274 HydrophobicContact CZ3-CD2 4.32Å; W239-F341 HydrophobicContact CB-CD2 4.37Å; W239-F341 HydrophobicContact CD2-CE2 4.34Å; W239-F341 HydrophobicContact CE3-CD2 4.16Å; W239-F341 AromaticContact CE3-CE2 3.47Å; W239-F341 HydrophobicContact CE3-CE2 3.47Å; W239-F341 VanDerWaalsContact CE3-CE2 3.47Å; W239-F341 HydrophobicContact CE3-CZ 4.34Å; W239-F341 AromaticContact CZ3-CE2 3.97Å; W239-F341 HydrophobicContact CZ3-CE2 3.97Å; W239-F341 HydrophobicContact CZ3-CZ 4.41Å; W239-L344 HydrophobicContact CB-CD2 4.19Å
240	G	98.4	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-179	169.4	0	0	0	0	0	113.4	N198 H199 E200 Y245 L344	N198-G240 PolarHBondContact O-N 3.07Å; H199-G240 CarbonylContact C-O 3.34Å; H199-G240 WeakPolarHBondContact CA-O 3.18Å; E200-G240 PolarHBondContact N-O 3.07Å; G240-Y245 WeakPolarHBondContact CA-OH 3.41Å; G240-Y245 PolarHBondContact N-OH 3.31Å; G240-L344 WeakPolarHBondContact O-CD2 3.42Å
241	F	98.6	Very high	98	Very high	36 Å²	36	22.1 Å²	22.1	16%	0.158	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.1	177.9	176.5	-124.8	0	0	0	112	Y28 E200 G243 D244 Y245 C339 L344 L347	Y28-F241 HydrophobicContact CE1-CZ 4.11Å; E200-F241 WeakPolarHBondContact O-CD2 3.4Å; F241-G243 VanDerWaalsContact CE1-CA 3.49Å; F241-G243 PolarHBondContact O-N 3.27Å; F241-D244 WeakPolarHBondContact O-CB 3.34Å; F241-D244 PolarHBondContact O-N 2.87Å; F241-Y245 WeakPolarHBondContact O-CD1 3.35Å; F241-Y245 PolarHBondContact O-N 2.97Å; F241-C339 HydrophobicContact CB-CB 3.54Å; F241-C339 HydrophobicContact CD1-CB 4.28Å; F241-C339 HydrophobicContact CG-CB 4.12Å; F241-L344 HydrophobicContact CB-CD1 4.29Å; F241-L344 HydrophobicContact CD2-CD1 4.06Å; F241-L347 HydrophobicContact CD2-CD2 4.3Å; F241-L347 HydrophobicContact CE2-CD2 3.95Å; F241-L347 HydrophobicContact CZ-CD2 4.48Å
242	A	98.6	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.4	-32.7	-177.9	0	0	0	0	0	113.7	Q24 Y28 E200 D244 Y245 V246	Q24-A242 HydrophobicContact CG-CB 3.85Å; Y28-A242 HydrophobicContact CD2-CB 4.08Å; Y28-A242 HydrophobicContact CE2-CB 4.25Å; E200-A242 PolarHBondContact O-N 3.21Å; A242-D244 VanDerWaalsContact C-N 3.32Å; A242-D244 PolarHBondContact O-N 3.09Å; A242-Y245 PolarHBondContact O-N 3.08Å; A242-V246 PolarHBondContact O-N 2.85Å; A242-V246 VanDerWaalsContact O-N 3.1Å
243	G	97.4	Very high	98.2	Very high	17 Å²	17	20 Å²	20	18%	0.175	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-34.5	176.9	0	0	0	0	0	113.4	F241 V246	F241-G243 VanDerWaalsContact CE1-CA 3.49Å; F241-G243 PolarHBondContact O-N 3.27Å; G243-V246 WeakPolarHBondContact O-CG2 3.11Å
244	D	98.2	Very high	98.3	Very high	17 Å²	17	22.7 Å²	22.7	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-71.3	-37.7	174.4	-68.8	-25.4	0	0	0	111.1	F241 A242 K247 A248 W335 T338 C339	F241-D244 WeakPolarHBondContact O-CB 3.34Å; F241-D244 PolarHBondContact O-N 2.87Å; A242-D244 VanDerWaalsContact C-N 3.32Å; A242-D244 PolarHBondContact O-N 3.09Å; D244-K247 WeakPolarHBondContact O-CB 3.47Å; D244-K247 PolarHBondContact O-N 3.27Å; D244-A248 PolarHBondContact O-N 3.48Å; D244-W335 HydrophobicContact CB-CZ2 4.29Å; D244-W335 PolarHBondContact O-NE1 3.31Å; D244-T338 VanDerWaalsContact CG-OG1 3.3Å; D244-T338 PolarHBondContact OD1-OG1 3.17Å; D244-T338 PolarHBondContact OD2-N 3.06Å; D244-T338 PolarHBondContact OD2-OG1 3.33Å; D244-C339 PolarHBondContact OD2-N 3.41Å; D244-C339 VanDerWaalsContact OD2-N 3.09Å
245	Y	98.7	Very high	98.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-73.9	-33.7	-172.5	-78	43.3	0	0	0	111.5	L196 H199 G240 F241 A242 K247 A248 M249 I263 A264 S265 W335	L196-Y245 HydrophobicContact CB-CD2 4.16Å; L196-Y245 HydrophobicContact CD2-CD2 3.92Å; L196-Y245 HydrophobicContact CD2-CG 4.47Å; L196-Y245 HydrophobicContact CG-CD2 3.81Å; H199-Y245 HydrophobicContact CB-CD1 4.16Å; H199-Y245 HydrophobicContact CB-CD2 3.43Å; H199-Y245 VanDerWaalsContact CB-CD2 3.43Å; H199-Y245 HydrophobicContact CB-CE1 4.34Å; H199-Y245 HydrophobicContact CB-CE2 3.63Å; H199-Y245 HydrophobicContact CB-CG 3.71Å; H199-Y245 AromaticContact CG-CD2 3.4Å; H199-Y245 AromaticContact CG-CE2 3.93Å; H199-Y245 AromaticContact CG-CG 3.88Å; H199-Y245 AromaticContact ND1-CD2 3.31Å; H199-Y245 VanDerWaalsContact ND1-CD2 3.31Å; H199-Y245 WeakPolarHBondContact ND1-CD2 3.37Å; H199-Y245 AromaticContact ND1-CE2 3.73Å; G240-Y245 WeakPolarHBondContact CA-OH 3.41Å; G240-Y245 PolarHBondContact N-OH 3.31Å; F241-Y245 WeakPolarHBondContact O-CD1 3.35Å; F241-Y245 PolarHBondContact O-N 2.97Å; A242-Y245 PolarHBondContact O-N 3.08Å; Y245-K247 VanDerWaalsContact C-N 3.26Å; Y245-K247 PolarHBondContact O-N 2.86Å; Y245-A248 WeakPolarHBondContact O-CB 3.44Å; Y245-A248 PolarHBondContact O-N 3.48Å; Y245-A248 VanDerWaalsContact O-N 3.1Å; Y245-M249 WeakPolarHBondContact O-CG 3.41Å; Y245-M249 PolarHBondContact O-N 3.31Å; Y245-M249 VanDerWaalsContact O-N 3.17Å; Y245-I263 HydrophobicContact CD1-CG2 4.26Å; Y245-I263 HydrophobicContact CD2-CG2 3.79Å; Y245-I263 HydrophobicContact CE1-CG2 4.44Å; Y245-I263 HydrophobicContact CE2-CG2 4.01Å; Y245-I263 HydrophobicContact CG-CG2 3.95Å; Y245-A264 WeakPolarHBondContact OH-CA 3.29Å; Y245-S265 PolarHBondContact OH-N 2.73Å; Y245-W335 HydrophobicContact CD1-CH2 4.34Å; Y245-W335 AromaticContact CD1-CZ2 3.9Å; Y245-W335 HydrophobicContact CD1-CZ2 3.9Å; Y245-W335 HydrophobicContact CE1-CH2 4.05Å; Y245-W335 HydrophobicContact CE1-CZ2 4.05Å
246	V	98.7	Very high	98.4	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-29.8	175.1	-63.7	0	0	0	0	112.7	D25 L29 F32 A242 G243 A248 M249 W250	D25-V246 HydrophobicContact CB-CG1 4.05Å; D25-V246 WeakPolarHBondContact O-CG1 3.38Å; L29-V246 HydrophobicContact CB-CB 4.04Å; L29-V246 HydrophobicContact CB-CG1 3.95Å; L29-V246 HydrophobicContact CD1-CB 4.13Å; F32-V246 HydrophobicContact CB-CG2 4.48Å; A242-V246 PolarHBondContact O-N 2.85Å; A242-V246 VanDerWaalsContact O-N 3.1Å; G243-V246 WeakPolarHBondContact O-CG2 3.11Å; V246-A248 VanDerWaalsContact C-N 3.33Å; V246-M249 HydrophobicContact CB-SD 4.41Å; V246-M249 HydrophobicContact CG1-CE 4.25Å; V246-M249 HydrophobicContact CG1-SD 4.13Å; V246-M249 WeakPolarHBondContact O-CB 3.34Å; V246-M249 PolarHBondContact O-N 3.44Å; V246-W250 PolarHBondContact O-N 3.2Å
247	K	98.5	Very high	98.3	Very high	97 Å²	97	29 Å²	29	42%	0.422	15%	0.145	S	C	.	.	H	α-helix	trans	-64.3	-39.5	171.9	-177.6	-178.4	177	-173.8	0	110.9	F32 D244 Y245 W250 L251	F32-K247 HydrophobicContact CE2-CB 4.12Å; F32-K247 HydrophobicContact CE2-CD 4.47Å; F32-K247 HydrophobicContact CE2-CG 4.02Å; F32-K247 HydrophobicContact CZ-CB 4.24Å; F32-K247 HydrophobicContact CZ-CG 3.92Å; D244-K247 WeakPolarHBondContact O-CB 3.47Å; D244-K247 PolarHBondContact O-N 3.27Å; Y245-K247 VanDerWaalsContact C-N 3.26Å; Y245-K247 PolarHBondContact O-N 2.86Å; K247-W250 PolarHBondContact O-N 2.96Å; K247-L251 HydrophobicContact CG-CD1 4.14Å; K247-L251 HydrophobicContact CG-CG 4.46Å; K247-L251 WeakPolarHBondContact O-CG 3.39Å; K247-L251 PolarHBondContact O-N 2.79Å
248	A	98.7	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-43.1	174.1	0	0	0	0	0	111.8	D244 Y245 V246 W250 L251 M252 I263 W335	D244-A248 PolarHBondContact O-N 3.48Å; Y245-A248 WeakPolarHBondContact O-CB 3.44Å; Y245-A248 PolarHBondContact O-N 3.48Å; Y245-A248 VanDerWaalsContact O-N 3.1Å; V246-A248 VanDerWaalsContact C-N 3.33Å; A248-W250 VanDerWaalsContact C-N 3.27Å; A248-W250 PolarHBondContact O-N 3.26Å; A248-L251 PolarHBondContact O-N 2.96Å; A248-M252 HydrophobicContact CB-CE 4.35Å; A248-M252 VanDerWaalsContact O-CG 3.31Å; A248-M252 WeakPolarHBondContact O-CG 3.42Å; A248-M252 PolarHBondContact O-N 3.38Å; A248-I263 HydrophobicContact CB-CD1 3.63Å; A248-I263 HydrophobicContact CB-CG1 3.82Å; A248-I263 HydrophobicContact CB-CG2 3.96Å; A248-W335 HydrophobicContact CB-CD2 4.17Å; A248-W335 HydrophobicContact CB-CG 4.05Å
249	M	98.7	Very high	98.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-54.7	-45.7	175.8	-52	178.5	178.8	0	0	111.3	D25 L29 Y96 L98 Y141 L196 Y245 V246	D25-M249 HydrophobicContact CB-CE 4.04Å; L29-M249 HydrophobicContact CD2-SD 4.48Å; Y96-M249 HydrophobicContact CD1-CB 4.3Å; Y96-M249 HydrophobicContact CE1-CB 4.17Å; L98-M249 HydrophobicContact CD1-SD 4.4Å; L98-M249 HydrophobicContact CD2-CE 4.29Å; L98-M249 HydrophobicContact CD2-SD 3.87Å; Y141-M249 HydrophobicContact CD1-CB 4.38Å; Y141-M249 HydrophobicContact CD2-CB 4.15Å; Y141-M249 HydrophobicContact CE1-CB 4.13Å; Y141-M249 HydrophobicContact CE1-CE 4.39Å; Y141-M249 HydrophobicContact CE1-CG 3.81Å; Y141-M249 HydrophobicContact CE1-SD 3.83Å; Y141-M249 HydrophobicContact CE2-CB 3.89Å; Y141-M249 HydrophobicContact CE2-CG 3.93Å; Y141-M249 HydrophobicContact CG-CB 4.39Å; Y141-M249 VanDerWaalsContact CZ-CG 3.48Å; Y141-M249 WeakPolarHBondContact OH-CG 3.41Å; L196-M249 HydrophobicContact CD2-CE 3.37Å; L196-M249 HydrophobicContact CD2-CG 4.4Å; Y245-M249 WeakPolarHBondContact O-CG 3.41Å; Y245-M249 PolarHBondContact O-N 3.31Å; Y245-M249 VanDerWaalsContact O-N 3.17Å; V246-M249 HydrophobicContact CB-SD 4.41Å; V246-M249 HydrophobicContact CG1-CE 4.25Å; V246-M249 HydrophobicContact CG1-SD 4.13Å; V246-M249 WeakPolarHBondContact O-CB 3.34Å; V246-M249 PolarHBondContact O-N 3.44Å
250	W	98.7	Very high	98.3	Very high	41 Å²	41	32.6 Å²	32.6	16%	0.155	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-46.4	177.6	173.4	79.5	0	0	0	112.5	F32 L33 M36 Y38 V246 K247 A248 M252 L253 Q254	F32-W250 HydrophobicContact CD1-CB 4.28Å; F32-W250 HydrophobicContact CD1-CG 4.42Å; F32-W250 HydrophobicContact CE1-CB 3.7Å; F32-W250 AromaticContact CE1-CD2 3.7Å; F32-W250 HydrophobicContact CE1-CD2 3.7Å; F32-W250 AromaticContact CE1-CE3 3.92Å; F32-W250 HydrophobicContact CE1-CE3 3.92Å; F32-W250 AromaticContact CE1-CG 3.61Å; F32-W250 HydrophobicContact CE1-CG 3.61Å; F32-W250 HydrophobicContact CZ-CD2 4.18Å; F32-W250 AromaticContact CZ-CE3 3.93Å; F32-W250 HydrophobicContact CZ-CE3 3.93Å; F32-W250 HydrophobicContact CZ-CG 4.49Å; L33-W250 VanDerWaalsContact CD2-CD1 3.5Å; L33-W250 HydrophobicContact CD2-CG 4.23Å; M36-W250 HydrophobicContact CE-CH2 4.15Å; M36-W250 HydrophobicContact CE-CZ2 4.02Å; Y38-W250 AromaticContact CE2-NE1 3.92Å; Y38-W250 AromaticContact CZ-NE1 3.67Å; Y38-W250 PolarHBondContact OH-NE1 2.76Å; V246-W250 PolarHBondContact O-N 3.2Å; K247-W250 PolarHBondContact O-N 2.96Å; A248-W250 VanDerWaalsContact C-N 3.27Å; A248-W250 PolarHBondContact O-N 3.26Å; W250-M252 VanDerWaalsContact C-N 3.28Å; W250-M252 PolarHBondContact O-N 3.09Å; W250-L253 PolarHBondContact O-N 3.2Å; W250-Q254 HydrophobicContact CD2-CG 3.88Å; W250-Q254 HydrophobicContact CE3-CG 4.24Å; W250-Q254 HydrophobicContact CG-CG 4.47Å; W250-Q254 HydrophobicContact CH2-CG 3.99Å; W250-Q254 HydrophobicContact CZ2-CG 3.61Å; W250-Q254 HydrophobicContact CZ3-CG 4.29Å; W250-Q254 WeakPolarHBondContact O-CG 3.31Å; W250-Q254 PolarHBondContact O-N 2.81Å; W250-Q254 PolarHBondContact O-NE2 3.41Å; W250-Q254 VanDerWaalsContact O-NE2 3.16Å
251	L	98.6	Very high	98.3	Very high	30 Å²	30	32.7 Å²	32.7	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-57.2	-39.6	178.8	-75.6	168.6	0	0	0	112.3	K247 A248 L253 Q254 L333 W335	K247-L251 HydrophobicContact CG-CD1 4.14Å; K247-L251 HydrophobicContact CG-CG 4.46Å; K247-L251 WeakPolarHBondContact O-CG 3.39Å; K247-L251 PolarHBondContact O-N 2.79Å; A248-L251 PolarHBondContact O-N 2.96Å; L251-L253 VanDerWaalsContact C-N 3.27Å; L251-L253 PolarHBondContact O-N 3.11Å; L251-Q254 PolarHBondContact O-N 3.27Å; L251-L333 HydrophobicContact CB-CB 4.31Å; L251-L333 HydrophobicContact CD1-CB 4.4Å; L251-W335 HydrophobicContact CD1-CB 3.87Å; L251-W335 HydrophobicContact CD1-CG 4.34Å
252	M	98.7	Very high	98.3	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-38.4	176.2	-68.1	178	-159.7	0	0	112.2	Y141 L196 A248 W250 Q254 F261 I263 L333	Y141-M252 HydrophobicContact CD2-SD 4.17Å; Y141-M252 HydrophobicContact CE2-SD 3.75Å; L196-M252 HydrophobicContact CD1-CE 4.42Å; A248-M252 HydrophobicContact CB-CE 4.35Å; A248-M252 VanDerWaalsContact O-CG 3.31Å; A248-M252 WeakPolarHBondContact O-CG 3.42Å; A248-M252 PolarHBondContact O-N 3.38Å; W250-M252 VanDerWaalsContact C-N 3.28Å; W250-M252 PolarHBondContact O-N 3.09Å; M252-Q254 VanDerWaalsContact C-N 3.29Å; M252-Q254 PolarHBondContact O-N 3.15Å; M252-F261 HydrophobicContact CE-CB 3.63Å; M252-F261 HydrophobicContact CE-CG 4.46Å; M252-F261 HydrophobicContact CG-CD2 3.84Å; M252-F261 HydrophobicContact SD-CB 4.24Å; M252-F261 HydrophobicContact SD-CD2 4.25Å; M252-I263 HydrophobicContact CE-CD1 3.64Å; M252-I263 HydrophobicContact CE-CG1 3.31Å; M252-L333 HydrophobicContact CE-CD1 4.35Å; M252-L333 HydrophobicContact CG-CD1 3.78Å
253	L	98.7	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-77.4	-12.5	176.8	-60	-165.2	0	0	0	113.3	E94 Y96 K139 F190 C192 W250 L251 R255	E94-L253 HydrophobicContact CB-CD1 3.97Å; E94-L253 HydrophobicContact CG-CD1 4.1Å; Y96-L253 HydrophobicContact CD1-CD1 4.22Å; Y96-L253 HydrophobicContact CE1-CD1 3.58Å; Y96-L253 HydrophobicContact CE1-CG 4.15Å; Y96-L253 HydrophobicContact CE2-CD1 4.11Å; K139-L253 HydrophobicContact CB-CB 4.38Å; K139-L253 HydrophobicContact CB-CD1 4.27Å; K139-L253 HydrophobicContact CB-CD2 4.13Å; K139-L253 HydrophobicContact CD-CB 4.41Å; K139-L253 WeakPolarHBondContact CD-O 3.43Å; K139-L253 WeakPolarHBondContact CE-O 3.19Å; K139-L253 PolarHBondContact NZ-O 3.21Å; F190-L253 HydrophobicContact CD1-CD2 4.23Å; F190-L253 HydrophobicContact CE1-CD2 3.93Å; C192-L253 VanDerWaalsContact SG-CD2 3.56Å; W250-L253 PolarHBondContact O-N 3.2Å; L251-L253 VanDerWaalsContact C-N 3.27Å; L251-L253 PolarHBondContact O-N 3.11Å; L253-R255 VanDerWaalsContact C-N 3.34Å
254	Q	98.2	Very high	98.4	Very high	58 Å²	58	30.1 Å²	30.1	27%	0.271	15%	0.15	S	C	.	.	H	α-helix	trans	-87.3	-6.1	176.8	-54.6	-36	-64	0	0	113.3	E94 W250 L251 M252	E94-Q254 PolarHBondContact OE1-NE2 3.31Å; W250-Q254 HydrophobicContact CD2-CG 3.88Å; W250-Q254 HydrophobicContact CE3-CG 4.24Å; W250-Q254 HydrophobicContact CG-CG 4.47Å; W250-Q254 HydrophobicContact CH2-CG 3.99Å; W250-Q254 HydrophobicContact CZ2-CG 3.61Å; W250-Q254 HydrophobicContact CZ3-CG 4.29Å; W250-Q254 WeakPolarHBondContact O-CG 3.31Å; W250-Q254 PolarHBondContact O-N 2.81Å; W250-Q254 PolarHBondContact O-NE2 3.41Å; W250-Q254 VanDerWaalsContact O-NE2 3.16Å; L251-Q254 PolarHBondContact O-N 3.27Å; M252-Q254 VanDerWaalsContact C-N 3.29Å; M252-Q254 PolarHBondContact O-N 3.15Å
255	R	97.8	Very high	98.4	Very high	61 Å²	61	30.3 Å²	30.3	23%	0.23	15%	0.153	C	C	.	.	S	Bend	trans	-66.4	158.9	176.7	-66.7	-75.9	-69.5	154.6	6	112.4	K139 F190 L253 T257 E259 L333	K139-R255 PolarHBondContact NZ-O 2.94Å; F190-R255 WeakPolarHBondContact CE2-O 3.42Å; F190-R255 HydrophobicContact CZ-CB 4.18Å; F190-R255 WeakPolarHBondContact CZ-O 3.37Å; L253-R255 VanDerWaalsContact C-N 3.34Å; R255-T257 WeakPolarHBondContact CB-O 3.47Å; R255-E259 IonicContact CZ-OE1 2.74Å; R255-E259 IonicContact NE-OE1 2.69Å; R255-E259 IonicContact NH2-OE1 3.69Å; R255-E259 PolarHBondContact NH2-OE1 3.24Å; R255-L333 HydrophobicContact CG-CD2 3.76Å
256	D	97.1	Very high	98.3	Very high	154 Å²	154	32.2 Å²	32.2	82%	0.824	17%	0.172	S	C	*	.	S	Bend	trans	-72.5	-38.2	173.2	-63	-35.2	0	0	0	111.5
257	T	97.4	Very high	98.2	Very high	76 Å²	76	37.2 Å²	37.2	47%	0.466	20%	0.195	S	C	.	.	S	Bend	trans	-120.6	140.6	179.3	52.9	0	0	0	0	111.4	R255 E259	R255-T257 WeakPolarHBondContact CB-O 3.47Å; T257-E259 PolarHBondContact O-N 3.22Å
258	P	98.2	Very high	98.1	Very high	33 Å²	33	36.3 Å²	36.3	21%	0.214	19%	0.191	C	C	.	.			trans	-72.7	122.8	176.5	30.8	-35.5	0	0	0	110.8	R184 F190	R184-P258 HydrophobicContact CG-CG 3.98Å; F190-P258 HydrophobicContact CD1-CB 3.98Å; F190-P258 HydrophobicContact CD2-CB 4.2Å; F190-P258 HydrophobicContact CD2-CG 4.34Å; F190-P258 HydrophobicContact CE1-CB 4.08Å; F190-P258 HydrophobicContact CE2-CB 4.33Å; F190-P258 HydrophobicContact CG-CB 4.03Å; F190-P258 HydrophobicContact CG-CG 4.41Å; F190-P258 HydrophobicContact CZ-CB 4.27Å
259	E	97.7	Very high	98.1	Very high	45 Å²	45	38 Å²	38	21%	0.21	20%	0.199	C	C	.	.			trans	-136.3	152.5	178.7	-66.5	176.4	-103.5	0	0	110	C192 R255 T257 F261 R328	C192-E259 WeakPolarHBondContact CB-O 3.48Å; R255-E259 IonicContact CZ-OE1 2.74Å; R255-E259 IonicContact NE-OE1 2.69Å; R255-E259 IonicContact NH2-OE1 3.69Å; R255-E259 PolarHBondContact NH2-OE1 3.24Å; T257-E259 PolarHBondContact O-N 3.22Å; E259-F261 HydrophobicContact CB-CD2 4.32Å; E259-F261 HydrophobicContact CB-CE2 3.57Å; E259-F261 HydrophobicContact CB-CZ 3.9Å; E259-F261 WeakPolarHBondContact O-CD2 3.4Å; E259-R328 IonicContact OE2-NH2 3.04Å; E259-R328 PolarHBondContact OE2-NH2 3.49Å
260	D	98.7	Very high	98.1	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.08	20%	0.204	C	C	.	.			trans	-91	143	175.1	-52.5	-39.7	0	0	0	110.2	Y177 R184 N193 R328	Y177-D260 PolarHBondContact OH-OD2 3.48Å; R184-D260 IonicContact CZ-OD1 3.73Å; R184-D260 IonicContact CZ-OD2 3.3Å; R184-D260 IonicContact NH1-OD1 3.69Å; R184-D260 PolarHBondContact NH1-OD1 3.36Å; R184-D260 IonicContact NH1-OD2 2.73Å; R184-D260 PolarHBondContact NH1-OD2 3.37Å; R184-D260 IonicContact NH2-OD1 2.62Å; R184-D260 IonicContact NH2-OD2 3.55Å; R184-D260 PolarHBondContact NH2-OD2 3.42Å; N193-D260 HydrophobicContact CB-CB 4.16Å; N193-D260 WeakPolarHBondContact CB-OD1 3.36Å; N193-D260 PolarHBondContact N-OD1 3.17Å; N193-D260 PolarHBondContact ND2-OD1 3.22Å; N193-D260 WeakPolarHBondContact O-CA 3.36Å; D260-R328 PolarHBondContact O-NH1 2.94Å
261	F	98.8	Very high	98	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.6	-174.1	-70.5	-83.5	0	0	0	112.3	E159 N193 I195 M252 E259 I263 R328 A329 L332 L333	E159-F261 WeakPolarHBondContact OE1-CA 3.42Å; N193-F261 PolarHBondContact O-N 3.42Å; I195-F261 PolarHBondContact N-O 3.49Å; M252-F261 HydrophobicContact CE-CB 3.63Å; M252-F261 HydrophobicContact CE-CG 4.46Å; M252-F261 HydrophobicContact CG-CD2 3.84Å; M252-F261 HydrophobicContact SD-CB 4.24Å; M252-F261 HydrophobicContact SD-CD2 4.25Å; E259-F261 HydrophobicContact CB-CD2 4.32Å; E259-F261 HydrophobicContact CB-CE2 3.57Å; E259-F261 HydrophobicContact CB-CZ 3.9Å; E259-F261 WeakPolarHBondContact O-CD2 3.4Å; F261-I263 HydrophobicContact CB-CD1 4.48Å; F261-R328 HydrophobicContact CD1-CB 4.29Å; F261-R328 HydrophobicContact CE1-CB 4.4Å; F261-A329 HydrophobicContact CD1-CB 4.39Å; F261-L332 HydrophobicContact CE1-CB 4.01Å; F261-L332 HydrophobicContact CE1-CD1 3.96Å; F261-L332 HydrophobicContact CZ-CB 4.25Å; F261-L332 HydrophobicContact CZ-CD1 4.24Å; F261-L333 HydrophobicContact CB-CD1 4.44Å; F261-L333 HydrophobicContact CD1-CD1 4.17Å; F261-L333 HydrophobicContact CD1-CG 4.28Å; F261-L333 HydrophobicContact CD2-CD1 4.09Å; F261-L333 HydrophobicContact CD2-CD2 4.41Å; F261-L333 HydrophobicContact CE1-CD1 4.45Å; F261-L333 HydrophobicContact CE1-CD2 4.26Å; F261-L333 HydrophobicContact CE1-CG 4.1Å; F261-L333 HydrophobicContact CE2-CD1 4.36Å; F261-L333 HydrophobicContact CE2-CD2 3.87Å; F261-L333 HydrophobicContact CE2-CG 4.36Å; F261-L333 HydrophobicContact CG-CD1 3.98Å; F261-L333 HydrophobicContact CZ-CD2 3.8Å; F261-L333 HydrophobicContact CZ-CG 4.15Å
262	V	98.8	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.3	164.5	164.8	0	0	0	0	109.6	Y149 E159 I195 F197 A264 D325 C326	Y149-V262 VanDerWaalsContact OH-CG2 3.22Å; Y149-V262 WeakPolarHBondContact OH-CG2 3.29Å; E159-V262 HydrophobicContact CG-CB 4.48Å; E159-V262 HydrophobicContact CG-CG2 4.04Å; E159-V262 PolarHBondContact OE1-N 3.01Å; I195-V262 HydrophobicContact CB-CG2 4.09Å; I195-V262 HydrophobicContact CD1-CG2 4.3Å; I195-V262 HydrophobicContact CG2-CG2 4.25Å; I195-V262 WeakPolarHBondContact O-CA 3.46Å; F197-V262 HydrophobicContact CD2-CG1 3.95Å; F197-V262 HydrophobicContact CE2-CG1 3.59Å; F197-V262 HydrophobicContact CE2-CG2 4.46Å; V262-A264 HydrophobicContact CG1-CB 4.26Å; V262-D325 WeakPolarHBondContact CG1-O 3.34Å; V262-C326 HydrophobicContact CG1-CB 4.45Å; V262-C326 WeakPolarHBondContact O-CB 3.45Å
263	I	98.8	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.7	175.8	-57.6	-61.4	0	0	0	108.4	I195 L196 F197 Y245 A248 M252 F261 A329 L333 W335	I195-I263 PolarHBondContact O-N 3.24Å; I195-I263 VanDerWaalsContact O-N 3.11Å; L196-I263 HydrophobicContact CD1-CB 3.81Å; L196-I263 HydrophobicContact CD1-CG1 3.81Å; L196-I263 HydrophobicContact CG-CB 3.89Å; L196-I263 HydrophobicContact CG-CG1 4.41Å; L196-I263 HydrophobicContact CG-CG2 4.22Å; F197-I263 PolarHBondContact N-O 3.08Å; Y245-I263 HydrophobicContact CD1-CG2 4.26Å; Y245-I263 HydrophobicContact CD2-CG2 3.79Å; Y245-I263 HydrophobicContact CE1-CG2 4.44Å; Y245-I263 HydrophobicContact CE2-CG2 4.01Å; Y245-I263 HydrophobicContact CG-CG2 3.95Å; A248-I263 HydrophobicContact CB-CD1 3.63Å; A248-I263 HydrophobicContact CB-CG1 3.82Å; A248-I263 HydrophobicContact CB-CG2 3.96Å; M252-I263 HydrophobicContact CE-CD1 3.64Å; M252-I263 HydrophobicContact CE-CG1 3.31Å; F261-I263 HydrophobicContact CB-CD1 4.48Å; I263-A329 HydrophobicContact CD1-CB 3.5Å; I263-A329 VanDerWaalsContact CD1-CB 3.5Å; I263-L333 HydrophobicContact CD1-CD1 4.43Å; I263-W335 HydrophobicContact CD1-CD2 4.35Å; I263-W335 HydrophobicContact CD1-CE3 4.1Å; I263-W335 HydrophobicContact CD1-CZ3 4.44Å; I263-W335 HydrophobicContact CG2-CD2 4.48Å; I263-W335 HydrophobicContact CG2-CE3 4.33Å; I263-W335 HydrophobicContact CG2-CH2 3.45Å; I263-W335 VanDerWaalsContact CG2-CH2 3.45Å; I263-W335 HydrophobicContact CG2-CZ2 3.6Å; I263-W335 HydrophobicContact CG2-CZ3 3.84Å
264	A	98.5	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.			trans	-154.7	160.2	-169.7	0	0	0	0	0	110.6	F197 D238 Y245 V262 C326	F197-A264 HydrophobicContact CB-CB 3.94Å; F197-A264 HydrophobicContact CD2-CB 3.68Å; F197-A264 HydrophobicContact CE2-CB 4.41Å; F197-A264 HydrophobicContact CG-CB 3.8Å; D238-A264 WeakPolarHBondContact OD2-CB 3.32Å; Y245-A264 WeakPolarHBondContact OH-CA 3.29Å; V262-A264 HydrophobicContact CG1-CB 4.26Å; A264-C326 HydrophobicContact CB-CB 4.41Å; A264-C326 PolarHBondContact O-SG 3.08Å; A264-C326 VanDerWaalsContact O-SG 3.33Å
265	S	97.8	Very high	98	Very high	21 Å²	21	38.8 Å²	38.8	15%	0.147	20%	0.204	C	C	.	.			trans	-74.8	-32.1	172	72.9	0	0	0	0	111.3	D238 Y245 E267	D238-S265 VanDerWaalsContact CG-OG 3.31Å; D238-S265 PolarHBondContact OD1-N 3.17Å; D238-S265 PolarHBondContact OD1-OG 3.33Å; D238-S265 PolarHBondContact OD2-N 2.86Å; Y245-S265 PolarHBondContact OH-N 2.73Å; S265-E267 VanDerWaalsContact C-N 3.33Å; S265-E267 PolarHBondContact OG-N 3.21Å; S265-E267 VanDerWaalsContact OG-N 3.09Å; S265-E267 PolarHBondContact OG-O 3.06Å
266	G	97.2	Very high	98.1	Very high	40 Å²	40	37.6 Å²	37.6	41%	0.412	20%	0.202	S	C	.	.	S	Bend	trans	84.7	6.6	-171.9	0	0	0	0	0	113.5	D238	D238-G266 WeakPolarHBondContact OD2-CA 3.47Å; D238-G266 PolarHBondContact OD2-N 2.97Å
267	E	96.8	Very high	98.1	Very high	106 Å²	106	31.7 Å²	31.7	50%	0.495	17%	0.171	S	C	.	.			trans	-123	130.8	178	-64.6	-177.4	165.3	0	0	109.8	D238 S265	D238-E267 VanDerWaalsContact CA-O 3.28Å; D238-E267 WeakPolarHBondContact CA-O 3.23Å; S265-E267 VanDerWaalsContact C-N 3.33Å; S265-E267 PolarHBondContact OG-N 3.21Å; S265-E267 VanDerWaalsContact OG-N 3.09Å; S265-E267 PolarHBondContact OG-O 3.06Å
268	K	96	Very high	98.2	Very high	78 Å²	78	28 Å²	28	34%	0.339	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.8	175.3	64.2	172.6	-169.1	154.5	0	111.2	E236 R237 L321 L323	E236-K268 VanDerWaalsContact OE1-CE 3.31Å; E236-K268 WeakPolarHBondContact OE1-CE 3.35Å; E236-K268 IonicContact OE1-NZ 2.92Å; E236-K268 PolarHBondContact OE1-NZ 3.15Å; E236-K268 IonicContact OE2-NZ 2.63Å; E236-K268 PolarHBondContact OE2-NZ 3.4Å; R237-K268 WeakPolarHBondContact O-CA 3.44Å; K268-L321 HydrophobicContact CD-CD1 3.36Å; K268-L323 HydrophobicContact CB-CB 4.47Å; K268-L323 HydrophobicContact CB-CD1 4.07Å; K268-L323 HydrophobicContact CD-CD2 4.38Å; K268-L323 HydrophobicContact CG-CD1 4.46Å
269	H	98.4	Very high	98.2	Very high	36 Å²	36	26.5 Å²	26.5	17%	0.167	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.4	171.2	-64.9	-78.7	0	0	0	110.3	E236 R237 W239 E273 F341	E236-H269 CarbonylContact C-O 3.56Å; E236-H269 WeakPolarHBondContact CA-O 3.38Å; R237-H269 PolarHBondContact N-O 3.06Å; R237-H269 PolarHBondContact O-N 3.33Å; W239-H269 HydrophobicContact CE3-CB 3.98Å; W239-H269 HydrophobicContact CZ3-CB 3.75Å; W239-H269 WeakPolarHBondContact CZ3-O 3.42Å; H269-E273 HydrophobicContact CB-CB 4.37Å; H269-E273 IonicContact CG-OE2 2.74Å; H269-E273 IonicContact ND1-OE2 3.51Å; H269-E273 PolarHBondContact ND1-OE2 2.9Å; H269-F341 HydrophobicContact CB-CD1 4.45Å; H269-F341 HydrophobicContact CB-CD2 4.3Å; H269-F341 HydrophobicContact CB-CE1 3.98Å; H269-F341 HydrophobicContact CB-CE2 3.8Å; H269-F341 HydrophobicContact CB-CZ 3.62Å; H269-F341 AromaticContact CD2-CD1 3.46Å; H269-F341 VanDerWaalsContact CD2-CD1 3.46Å; H269-F341 WeakPolarHBondContact CD2-CD1 3.42Å; H269-F341 AromaticContact CD2-CD2 3.49Å; H269-F341 VanDerWaalsContact CD2-CD2 3.49Å; H269-F341 WeakPolarHBondContact CD2-CD2 3.48Å; H269-F341 AromaticContact CD2-CE1 3.88Å; H269-F341 AromaticContact CD2-CE2 3.9Å; H269-F341 AromaticContact CD2-CG 3.24Å; H269-F341 WeakPolarHBondContact CD2-CG 3.46Å; H269-F341 AromaticContact CE1-CD1 3.75Å; H269-F341 AromaticContact CG-CD1 3.67Å; H269-F341 AromaticContact CG-CE1 3.6Å; H269-F341 AromaticContact CG-CE2 3.94Å; H269-F341 AromaticContact CG-CG 3.86Å; H269-F341 AromaticContact CG-CZ 3.74Å; H269-F341 AromaticContact ND1-CD1 3.85Å; H269-F341 AromaticContact ND1-CE1 3.83Å; H269-F341 AromaticContact NE2-CD1 3.5Å; H269-F341 AromaticContact NE2-CG 3.49Å; H269-F341 WeakPolarHBondContact NE2-CG 3.36Å
270	S	98.3	Very high	98.3	Very high	15 Å²	15	28.7 Å²	28.7	11%	0.105	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	158.4	173.8	62.1	0	0	0	0	112.5	S235 R272 E273 F274	S235-S270 CarbonylContact O-C 3.59Å; S235-S270 WeakPolarHBondContact O-CA 3.27Å; S270-R272 PolarHBondContact O-N 3.38Å; S270-E273 WeakPolarHBondContact CB-OE1 3.5Å; S270-E273 PolarHBondContact N-OE1 3.12Å; S270-E273 PolarHBondContact O-N 2.84Å; S270-E273 VanDerWaalsContact OG-CG 3.31Å; S270-E273 WeakPolarHBondContact OG-CG 3.29Å; S270-E273 PolarHBondContact OG-N 3.05Å; S270-E273 PolarHBondContact OG-OE1 3.34Å; S270-F274 PolarHBondContact O-N 2.81Å; S270-F274 VanDerWaalsContact O-N 3.07Å
271	V	98.3	Very high	98.2	Very high	9 Å²	9	31 Å²	31	6%	0.055	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-34.2	169.2	172	0	0	0	0	111	V209 I213 L230 L233 S235 W239 T275	V209-V271 HydrophobicContact CG2-CG1 3.74Å; V209-V271 HydrophobicContact CG2-CG2 4.15Å; I213-V271 HydrophobicContact CD1-CG1 4.15Å; L230-V271 HydrophobicContact CD1-CG1 4.23Å; L233-V271 HydrophobicContact CD2-CG1 4.21Å; L233-V271 PolarHBondContact O-N 3.46Å; S235-V271 PolarHBondContact O-N 2.95Å; W239-V271 HydrophobicContact CH2-CG2 4.19Å; W239-V271 HydrophobicContact CZ2-CG2 4.4Å; V271-T275 WeakPolarHBondContact O-CB 3.32Å; V271-T275 PolarHBondContact O-N 3.07Å; V271-T275 PolarHBondContact O-OG1 3.16Å
272	R	98.4	Very high	98.2	Very high	44 Å²	44	31.7 Å²	31.7	17%	0.166	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-49.9	173.4	-173.2	-172.3	-58.9	-101.9	-2.7	112.4	L233 N234 S270 F274 T275 N276 W288 E295	L233-R272 HydrophobicContact CB-CB 4.38Å; L233-R272 PolarHBondContact O-N 3.2Å; N234-R272 PolarHBondContact OD1-NH2 2.79Å; N234-R272 VanDerWaalsContact OD1-NH2 3.14Å; S270-R272 PolarHBondContact O-N 3.38Å; R272-F274 VanDerWaalsContact C-N 3.35Å; R272-F274 PolarHBondContact O-N 3.49Å; R272-T275 WeakPolarHBondContact O-CB 3.4Å; R272-T275 PolarHBondContact O-N 3.47Å; R272-T275 VanDerWaalsContact O-N 3.13Å; R272-N276 PolarHBondContact O-N 3.5Å; R272-W288 HydrophobicContact CG-CD2 4.41Å; R272-W288 HydrophobicContact CG-CZ2 3.72Å; R272-E295 IonicContact CZ-OE1 2.96Å; R272-E295 IonicContact CZ-OE2 3.94Å; R272-E295 IonicContact NH1-OE1 2.92Å; R272-E295 PolarHBondContact NH1-OE1 2.83Å; R272-E295 IonicContact NH1-OE2 3.26Å; R272-E295 IonicContact NH2-OE1 2.77Å; R272-E295 PolarHBondContact NH2-OE1 2.95Å; R272-E295 IonicContact NH2-OE2 2.78Å; R272-E295 PolarHBondContact NH2-OE2 3.17Å
273	E	98.4	Very high	98.1	Very high	80 Å²	80	34.1 Å²	34.1	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-59.2	-45.7	177.2	-77.8	165	-84.4	0	0	111.6	H269 S270 T275 N276 L277	H269-E273 HydrophobicContact CB-CB 4.37Å; H269-E273 IonicContact CG-OE2 2.74Å; H269-E273 IonicContact ND1-OE2 3.51Å; H269-E273 PolarHBondContact ND1-OE2 2.9Å; S270-E273 WeakPolarHBondContact CB-OE1 3.5Å; S270-E273 PolarHBondContact N-OE1 3.12Å; S270-E273 PolarHBondContact O-N 2.84Å; S270-E273 VanDerWaalsContact OG-CG 3.31Å; S270-E273 WeakPolarHBondContact OG-CG 3.29Å; S270-E273 PolarHBondContact OG-N 3.05Å; S270-E273 PolarHBondContact OG-OE1 3.34Å; E273-T275 VanDerWaalsContact C-N 3.26Å; E273-T275 PolarHBondContact O-N 2.91Å; E273-N276 PolarHBondContact O-N 3.18Å; E273-L277 WeakPolarHBondContact O-CB 3.39Å; E273-L277 PolarHBondContact O-N 3.18Å
274	F	98.7	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-43.6	174.6	-167.6	-70.3	0	0	0	111.2	T210 I213 T214 W239 S270 R272 A278 F341 V345 M348	T210-F274 VanDerWaalsContact CB-CZ 3.47Å; T210-F274 HydrophobicContact CG2-CD2 3.86Å; T210-F274 HydrophobicContact CG2-CE1 4.34Å; T210-F274 HydrophobicContact CG2-CE2 3.41Å; T210-F274 VanDerWaalsContact CG2-CE2 3.41Å; T210-F274 HydrophobicContact CG2-CZ 3.71Å; I213-F274 HydrophobicContact CB-CD1 4.17Å; I213-F274 HydrophobicContact CB-CE1 4.14Å; I213-F274 HydrophobicContact CD1-CD1 3.66Å; I213-F274 HydrophobicContact CD1-CE1 4.32Å; I213-F274 HydrophobicContact CD1-CG 4.37Å; I213-F274 HydrophobicContact CG2-CD1 3.95Å; I213-F274 HydrophobicContact CG2-CE1 4.1Å; T214-F274 HydrophobicContact CG2-CE1 3.92Å; T214-F274 HydrophobicContact CG2-CZ 4.18Å; W239-F274 HydrophobicContact CD2-CD2 4.45Å; W239-F274 HydrophobicContact CE3-CD2 4.31Å; W239-F274 HydrophobicContact CH2-CB 4.28Å; W239-F274 HydrophobicContact CZ3-CB 4.24Å; W239-F274 HydrophobicContact CZ3-CD2 4.32Å; S270-F274 PolarHBondContact O-N 2.81Å; S270-F274 VanDerWaalsContact O-N 3.07Å; R272-F274 VanDerWaalsContact C-N 3.35Å; R272-F274 PolarHBondContact O-N 3.49Å; F274-A278 WeakPolarHBondContact O-CB 3.38Å; F274-A278 PolarHBondContact O-N 3.11Å; F274-F341 HydrophobicContact CB-CZ 4.06Å; F274-F341 AromaticContact CD2-CE2 3.72Å; F274-F341 HydrophobicContact CD2-CE2 3.72Å; F274-F341 HydrophobicContact CD2-CZ 4Å; F274-F341 HydrophobicContact CE2-CE2 4.44Å; F274-F341 HydrophobicContact CG-CZ 4.4Å; F274-V345 HydrophobicContact CD2-CG2 3.76Å; F274-V345 HydrophobicContact CE1-CG2 4.41Å; F274-V345 HydrophobicContact CE2-CG2 3.58Å; F274-V345 HydrophobicContact CG-CG2 4.24Å; F274-V345 HydrophobicContact CZ-CG2 3.91Å; F274-M348 HydrophobicContact CZ-SD 4.22Å
275	T	98.7	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-51.2	179.7	-56.2	0	0	0	0	111.1	I213 L228 L230 V271 R272 E273 L277 A278 F279 L286 W288 V307	I213-T275 WeakPolarHBondContact CD1-OG1 3.29Å; L228-T275 HydrophobicContact CD2-CG2 4.49Å; L230-T275 HydrophobicContact CD1-CG2 4.38Å; V271-T275 WeakPolarHBondContact O-CB 3.32Å; V271-T275 PolarHBondContact O-N 3.07Å; V271-T275 PolarHBondContact O-OG1 3.16Å; R272-T275 WeakPolarHBondContact O-CB 3.4Å; R272-T275 PolarHBondContact O-N 3.47Å; R272-T275 VanDerWaalsContact O-N 3.13Å; E273-T275 VanDerWaalsContact C-N 3.26Å; E273-T275 PolarHBondContact O-N 2.91Å; T275-L277 PolarHBondContact O-N 2.87Å; T275-A278 PolarHBondContact O-N 2.88Å; T275-F279 HydrophobicContact CG2-CD2 3.79Å; T275-F279 HydrophobicContact CG2-CE2 3.77Å; T275-F279 WeakPolarHBondContact O-CD2 3.2Å; T275-F279 PolarHBondContact O-N 2.83Å; T275-L286 HydrophobicContact CG2-CD1 3.98Å; T275-W288 HydrophobicContact CG2-CH2 4.38Å; T275-W288 HydrophobicContact CG2-CZ2 4.36Å; T275-V307 HydrophobicContact CG2-CG2 3.93Å
276	N	98.6	Very high	98.1	Very high	36 Å²	36	38.6 Å²	38.6	19%	0.193	21%	0.207	C	C	.	.	H	α-helix	trans	-55.4	-51.4	178	-71.5	-13.6	0	0	0	111.1	R272 E273 A278 F279 E280 W288	R272-N276 PolarHBondContact O-N 3.5Å; E273-N276 PolarHBondContact O-N 3.18Å; N276-A278 VanDerWaalsContact C-N 3.31Å; N276-A278 PolarHBondContact O-N 3.35Å; N276-F279 PolarHBondContact O-N 2.62Å; N276-E280 WeakPolarHBondContact O-CB 3.22Å; N276-E280 VanDerWaalsContact O-CG 3.31Å; N276-E280 WeakPolarHBondContact O-CG 3.16Å; N276-E280 PolarHBondContact O-N 3.3Å; N276-W288 WeakPolarHBondContact OD1-CZ2 3.43Å; N276-W288 PolarHBondContact OD1-NE1 2.88Å
277	L	98.5	Very high	98.2	Very high	30 Å²	30	39.2 Å²	39.2	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-37.2	-177.2	-176.2	63	0	0	0	112.5	E273 T275 H281 F341 T342 V345	E273-L277 WeakPolarHBondContact O-CB 3.39Å; E273-L277 PolarHBondContact O-N 3.18Å; T275-L277 PolarHBondContact O-N 2.87Å; L277-H281 WeakPolarHBondContact O-CB 3.29Å; L277-H281 PolarHBondContact O-N 3.26Å; L277-F341 HydrophobicContact CD2-CD1 4.29Å; L277-F341 HydrophobicContact CD2-CE1 4.01Å; L277-T342 HydrophobicContact CD1-CG2 4.31Å; L277-T342 HydrophobicContact CD2-CG2 4.01Å; L277-V345 HydrophobicContact CB-CG1 4.24Å; L277-V345 HydrophobicContact CD2-CB 3.78Å; L277-V345 HydrophobicContact CD2-CG1 4.04Å; L277-V345 HydrophobicContact CD2-CG2 3.89Å; L277-V345 HydrophobicContact CG-CB 4.22Å; L277-V345 HydrophobicContact CG-CG1 3.92Å
278	A	98.8	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-45.4	176.2	0	0	0	0	0	111.9	I213 V217 F274 T275 N276 H281 V345 V349	I213-A278 HydrophobicContact CG2-CB 3.77Å; V217-A278 WeakPolarHBondContact CG1-O 3.42Å; V217-A278 HydrophobicContact CG2-CB 3.99Å; F274-A278 WeakPolarHBondContact O-CB 3.38Å; F274-A278 PolarHBondContact O-N 3.11Å; T275-A278 PolarHBondContact O-N 2.88Å; N276-A278 VanDerWaalsContact C-N 3.31Å; N276-A278 PolarHBondContact O-N 3.35Å; A278-H281 PolarHBondContact O-N 3.34Å; A278-V345 HydrophobicContact CB-CG1 3.96Å; A278-V349 HydrophobicContact CB-CG2 3.95Å
279	F	98.7	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-41.5	175.9	-86.1	-84.5	0	0	0	112.2	V217 I220 L228 T275 N276 H281 V282 G283 I284 L286 L306 V307	V217-F279 HydrophobicContact CG2-CD1 4.19Å; V217-F279 HydrophobicContact CG2-CD2 3.56Å; V217-F279 HydrophobicContact CG2-CE1 4.18Å; V217-F279 HydrophobicContact CG2-CE2 3.55Å; V217-F279 HydrophobicContact CG2-CG 3.91Å; V217-F279 HydrophobicContact CG2-CZ 3.88Å; I220-F279 HydrophobicContact CD1-CE1 4.11Å; I220-F279 HydrophobicContact CD1-CZ 3.81Å; I220-F279 HydrophobicContact CG2-CE1 4.26Å; L228-F279 HydrophobicContact CD2-CE2 4.21Å; T275-F279 HydrophobicContact CG2-CD2 3.79Å; T275-F279 HydrophobicContact CG2-CE2 3.77Å; T275-F279 WeakPolarHBondContact O-CD2 3.2Å; T275-F279 PolarHBondContact O-N 2.83Å; N276-F279 PolarHBondContact O-N 2.62Å; F279-H281 VanDerWaalsContact C-N 3.26Å; F279-H281 PolarHBondContact O-N 2.62Å; F279-V282 CarbonylContact O-C 3.6Å; F279-V282 WeakPolarHBondContact O-CG2 3.45Å; F279-V282 PolarHBondContact O-N 2.89Å; F279-V282 VanDerWaalsContact O-N 3.07Å; F279-G283 PolarHBondContact O-N 3.05Å; F279-I284 CarbonylContact C-O 3.54Å; F279-I284 HydrophobicContact CB-CB 4.33Å; F279-I284 WeakPolarHBondContact CB-O 3.31Å; F279-I284 HydrophobicContact CD1-CB 4.03Å; F279-I284 HydrophobicContact CD1-CD1 4.17Å; F279-I284 HydrophobicContact CD1-CG2 3.85Å; F279-I284 PolarHBondContact O-N 3.13Å; F279-I284 VanDerWaalsContact O-O 3.11Å; F279-L286 HydrophobicContact CB-CD1 4.17Å; F279-L286 HydrophobicContact CB-CG 4.08Å; F279-L286 HydrophobicContact CD1-CD2 4.35Å; F279-L286 HydrophobicContact CD2-CD1 3.44Å; F279-L286 VanDerWaalsContact CD2-CD1 3.44Å; F279-L286 HydrophobicContact CD2-CG 4.14Å; F279-L286 HydrophobicContact CE2-CD1 3.89Å; F279-L286 HydrophobicContact CG-CD1 3.83Å; F279-L286 HydrophobicContact CG-CD2 4.31Å; F279-L286 HydrophobicContact CG-CG 4.01Å; F279-L306 HydrophobicContact CD1-CD1 4.24Å; F279-L306 HydrophobicContact CE1-CB 4.05Å; F279-L306 HydrophobicContact CE1-CD1 3.84Å; F279-L306 HydrophobicContact CZ-CB 4.15Å; F279-V307 HydrophobicContact CD2-CG2 4.43Å; F279-V307 HydrophobicContact CE2-CG2 3.51Å; F279-V307 HydrophobicContact CZ-CG2 3.81Å
280	E	98.4	Very high	98.2	Very high	92 Å²	92	39.7 Å²	39.7	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-60.4	-37.3	177.1	-76.4	176.4	178.2	0	0	111.6	N276 V282 G283 I284 H285	N276-E280 WeakPolarHBondContact O-CB 3.22Å; N276-E280 VanDerWaalsContact O-CG 3.31Å; N276-E280 WeakPolarHBondContact O-CG 3.16Å; N276-E280 PolarHBondContact O-N 3.3Å; E280-V282 PolarHBondContact O-N 2.93Å; E280-G283 WeakPolarHBondContact O-CA 3.29Å; E280-G283 PolarHBondContact O-N 2.71Å; E280-I284 WeakPolarHBondContact CA-O 3.44Å; E280-I284 PolarHBondContact N-O 3.1Å; E280-H285 IonicContact OE1-CE1 3.82Å; E280-H285 IonicContact OE1-ND1 2.75Å; E280-H285 PolarHBondContact OE1-ND1 2.99Å
281	H	98.3	Very high	98.1	Very high	62 Å²	62	44.4 Å²	44.4	29%	0.287	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-23.6	177.1	-168.6	65	0	0	0	113.7	L277 A278 F279 K346 D350	L277-H281 WeakPolarHBondContact O-CB 3.29Å; L277-H281 PolarHBondContact O-N 3.26Å; A278-H281 PolarHBondContact O-N 3.34Å; F279-H281 VanDerWaalsContact C-N 3.26Å; F279-H281 PolarHBondContact O-N 2.62Å; H281-K346 WeakPolarHBondContact ND1-CG 3.44Å; H281-D350 IonicContact CD2-OD1 3.77Å; H281-D350 IonicContact CE1-OD1 3.3Å; H281-D350 IonicContact NE2-OD1 3.74Å; H281-D350 PolarHBondContact NE2-OD1 2.83Å; H281-D350 IonicContact NE2-OD2 2.82Å
282	V	97.8	Very high	97.9	Very high	17 Å²	17	46.3 Å²	46.3	10%	0.103	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	12.5	170.8	-58.3	0	0	0	0	113.3	V217 K221 F279 E280 I284 V349 M353	V217-V282 HydrophobicContact CG1-CB 4.25Å; V217-V282 HydrophobicContact CG1-CG1 3.76Å; V217-V282 HydrophobicContact CG1-CG2 3.42Å; V217-V282 VanDerWaalsContact CG1-CG2 3.42Å; K221-V282 HydrophobicContact CB-CB 4.31Å; K221-V282 HydrophobicContact CB-CG2 4.27Å; K221-V282 HydrophobicContact CD-CB 4.2Å; K221-V282 HydrophobicContact CD-CG2 4.36Å; K221-V282 WeakPolarHBondContact CD-O 3.44Å; K221-V282 WeakPolarHBondContact CE-O 3.21Å; K221-V282 HydrophobicContact CG-CB 4.12Å; K221-V282 HydrophobicContact CG-CG2 4.47Å; K221-V282 PolarHBondContact NZ-O 3.43Å; F279-V282 CarbonylContact O-C 3.6Å; F279-V282 WeakPolarHBondContact O-CG2 3.45Å; F279-V282 PolarHBondContact O-N 2.89Å; F279-V282 VanDerWaalsContact O-N 3.07Å; E280-V282 PolarHBondContact O-N 2.93Å; V282-I284 HydrophobicContact CG2-CD1 4.05Å; V282-I284 HydrophobicContact CG2-CG1 4.24Å; V282-V349 HydrophobicContact CG1-CG1 3.67Å; V282-M353 HydrophobicContact CG1-CE 4.17Å
283	G	97.7	Very high	97.7	Very high	50 Å²	50	48.1 Å²	48.1	52%	0.515	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	37.9	177.9	0	0	0	0	0	113.6	F279 E280	F279-G283 PolarHBondContact O-N 3.05Å; E280-G283 WeakPolarHBondContact O-CA 3.29Å; E280-G283 PolarHBondContact O-N 2.71Å
284	I	98.1	Very high	97.7	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.077	29%	0.292	C	S	.	.			trans	-122.5	124.5	172.4	-63	172.2	0	0	0	107.7	K221 F279 E280 V282 L286 D299 L306	K221-I284 HydrophobicContact CD-CD1 4.1Å; K221-I284 HydrophobicContact CD-CG1 4.47Å; F279-I284 CarbonylContact C-O 3.54Å; F279-I284 HydrophobicContact CB-CB 4.33Å; F279-I284 WeakPolarHBondContact CB-O 3.31Å; F279-I284 HydrophobicContact CD1-CB 4.03Å; F279-I284 HydrophobicContact CD1-CD1 4.17Å; F279-I284 HydrophobicContact CD1-CG2 3.85Å; F279-I284 PolarHBondContact O-N 3.13Å; F279-I284 VanDerWaalsContact O-O 3.11Å; E280-I284 WeakPolarHBondContact CA-O 3.44Å; E280-I284 PolarHBondContact N-O 3.1Å; V282-I284 HydrophobicContact CG2-CD1 4.05Å; V282-I284 HydrophobicContact CG2-CG1 4.24Å; I284-L286 HydrophobicContact CG2-CD2 4.45Å; I284-D299 HydrophobicContact CG2-CB 4.49Å; I284-L306 HydrophobicContact CD1-CD1 4.36Å; I284-L306 HydrophobicContact CG2-CD1 3.56Å
285	H	98	Very high	97.6	Very high	94 Å²	94	51.3 Å²	51.3	44%	0.435	30%	0.296	S	S	.	.			trans	-101.2	128	176.8	-176	70.5	0	0	0	110.5	E280 S300	E280-H285 IonicContact OE1-CE1 3.82Å; E280-H285 IonicContact OE1-ND1 2.75Å; E280-H285 PolarHBondContact OE1-ND1 2.99Å; H285-S300 WeakPolarHBondContact CB-OG 3.34Å; H285-S300 PolarHBondContact O-N 3.37Å; H285-S300 PolarHBondContact O-OG 3.4Å
286	L	98.4	Very high	97.6	Very high	7 Å²	7	53 Å²	53	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134	-178	-67.7	-178.6	0	0	0	111.5	T275 F279 I284 W288 V298 L306 V307	T275-L286 HydrophobicContact CG2-CD1 3.98Å; F279-L286 HydrophobicContact CB-CD1 4.17Å; F279-L286 HydrophobicContact CB-CG 4.08Å; F279-L286 HydrophobicContact CD1-CD2 4.35Å; F279-L286 HydrophobicContact CD2-CD1 3.44Å; F279-L286 VanDerWaalsContact CD2-CD1 3.44Å; F279-L286 HydrophobicContact CD2-CG 4.14Å; F279-L286 HydrophobicContact CE2-CD1 3.89Å; F279-L286 HydrophobicContact CG-CD1 3.83Å; F279-L286 HydrophobicContact CG-CD2 4.31Å; F279-L286 HydrophobicContact CG-CG 4.01Å; I284-L286 HydrophobicContact CG2-CD2 4.45Å; L286-W288 HydrophobicContact CD1-CZ2 4.14Å; L286-V298 CarbonylContact C-O 3.5Å; L286-V298 WeakPolarHBondContact CA-O 3.19Å; L286-L306 HydrophobicContact CD2-CB 4.14Å; L286-L306 HydrophobicContact CD2-CD1 4.16Å; L286-V307 HydrophobicContact CD1-CG2 3.85Å
287	T	98.1	Very high	97.6	Very high	52 Å²	52	51.3 Å²	51.3	32%	0.319	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.1	167.4	55	0	0	0	0	109.3	V298	T287-V298 PolarHBondContact N-O 3.17Å; T287-V298 PolarHBondContact O-N 3.07Å; T287-V298 PolarHBondContact OG1-O 3.46Å; T287-V298 VanDerWaalsContact OG1-O 3.06Å
288	W	98.3	Very high	97.6	Very high	55 Å²	55	50.3 Å²	50.3	21%	0.208	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.3	-176.7	-63.5	91.5	0	0	0	111.1	L233 R272 T275 N276 L286 E295 V296 V307	L233-W288 HydrophobicContact CD1-CE3 4.03Å; L233-W288 HydrophobicContact CD1-CH2 3.77Å; L233-W288 HydrophobicContact CD1-CZ3 3.32Å; L233-W288 HydrophobicContact CD2-CH2 4.01Å; L233-W288 HydrophobicContact CD2-CZ3 4.39Å; L233-W288 HydrophobicContact CG-CZ3 4.49Å; R272-W288 HydrophobicContact CG-CD2 4.41Å; R272-W288 HydrophobicContact CG-CZ2 3.72Å; T275-W288 HydrophobicContact CG2-CH2 4.38Å; T275-W288 HydrophobicContact CG2-CZ2 4.36Å; N276-W288 WeakPolarHBondContact OD1-CZ2 3.43Å; N276-W288 PolarHBondContact OD1-NE1 2.88Å; L286-W288 HydrophobicContact CD1-CZ2 4.14Å; W288-E295 HydrophobicContact CE3-CG 4.05Å; W288-V296 WeakPolarHBondContact CA-O 3.42Å; W288-V307 HydrophobicContact CH2-CB 4.11Å; W288-V307 HydrophobicContact CH2-CG1 3.88Å; W288-V307 HydrophobicContact CH2-CG2 4.5Å; W288-V307 HydrophobicContact CZ3-CB 4.27Å; W288-V307 HydrophobicContact CZ3-CG1 4.12Å
289	K	97.4	Very high	97.6	Very high	125 Å²	125	51 Å²	51	54%	0.543	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.2	177.2	-61.5	-178.2	-175.5	174.6	0	110	E295 V296 V298	K289-E295 WeakPolarHBondContact O-CA 3.12Å; K289-V296 HydrophobicContact CB-CG2 4.12Å; K289-V296 PolarHBondContact N-O 3.25Å; K289-V296 PolarHBondContact O-N 2.8Å; K289-V298 HydrophobicContact CD-CG2 4.23Å
290	G	97	Very high	97.5	Very high	50 Å²	50	53.7 Å²	53.7	52%	0.515	32%	0.315	S	S	.	.	S	Bend	trans	80.5	-176	-176.3	0	0	0	0	0	112.7
291	T	95.4	Very high	97.4	Very high	115 Å²	115	57 Å²	57	71%	0.706	33%	0.33	S	S	*	.			trans	-144.5	155.6	178.5	57.4	0	0	0	0	110.3	I293 D294	T291-I293 PolarHBondContact O-N 3.3Å; T291-D294 PolarHBondContact O-N 2.97Å
292	G	94	Very high	97.3	Very high	49 Å²	49	57.7 Å²	57.7	51%	0.505	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	62.5	-127.6	175.4	0	0	0	0	0	112.6	D294 E295	G292-D294 VanDerWaalsContact C-N 3.31Å; G292-E295 WeakPolarHBondContact O-CB 3.38Å; G292-E295 PolarHBondContact O-N 3.09Å
293	I	95.1	Very high	97.2	Very high	81 Å²	81	59.3 Å²	59.3	42%	0.415	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-72.2	-25.6	-179.5	-162.6	72.5	0	0	0	113	T291 E295 V309 E311 F314	T291-I293 PolarHBondContact O-N 3.3Å; I293-E295 VanDerWaalsContact C-N 3.26Å; I293-E295 PolarHBondContact O-N 3.49Å; I293-V309 HydrophobicContact CD1-CG1 3.89Å; I293-E311 HydrophobicContact CD1-CB 3.8Å; I293-F314 HydrophobicContact CD1-CE2 4.25Å
294	D	96.9	Very high	97.2	Very high	129 Å²	129	61.6 Å²	61.6	69%	0.69	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-87.6	3.5	-179	-59.6	-49.6	0	0	0	112.5	T291 G292	T291-D294 PolarHBondContact O-N 2.97Å; G292-D294 VanDerWaalsContact C-N 3.31Å
295	E	98	Very high	97.2	Very high	18 Å²	18	63.7 Å²	63.7	8%	0.084	37%	0.373	C	S	.	.			trans	-73.9	132.8	-179.8	-174.4	162.1	-148.3	0	0	112.4	L233 R272 W288 K289 G292 I293 V309	L233-E295 HydrophobicContact CD1-CG 4.32Å; R272-E295 IonicContact CZ-OE1 2.96Å; R272-E295 IonicContact CZ-OE2 3.94Å; R272-E295 IonicContact NH1-OE1 2.92Å; R272-E295 PolarHBondContact NH1-OE1 2.83Å; R272-E295 IonicContact NH1-OE2 3.26Å; R272-E295 IonicContact NH2-OE1 2.77Å; R272-E295 PolarHBondContact NH2-OE1 2.95Å; R272-E295 IonicContact NH2-OE2 2.78Å; R272-E295 PolarHBondContact NH2-OE2 3.17Å; W288-E295 HydrophobicContact CE3-CG 4.05Å; K289-E295 WeakPolarHBondContact O-CA 3.12Å; G292-E295 WeakPolarHBondContact O-CB 3.38Å; G292-E295 PolarHBondContact O-N 3.09Å; I293-E295 VanDerWaalsContact C-N 3.26Å; I293-E295 PolarHBondContact O-N 3.49Å; E295-V309 HydrophobicContact CB-CG2 4.1Å; E295-V309 PolarHBondContact O-N 2.95Å
296	V	98.4	Very high	97.3	Very high	37 Å²	37	59.8 Å²	59.8	22%	0.224	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.5	-179.6	-64.7	0	0	0	0	111.6	W288 K289 V298 V305 V307 R308	W288-V296 WeakPolarHBondContact CA-O 3.42Å; K289-V296 HydrophobicContact CB-CG2 4.12Å; K289-V296 PolarHBondContact N-O 3.25Å; K289-V296 PolarHBondContact O-N 2.8Å; V296-V298 HydrophobicContact CG2-CG2 3.95Å; V296-V305 HydrophobicContact CB-CG1 4.01Å; V296-V305 HydrophobicContact CB-CG2 4.44Å; V296-V305 HydrophobicContact CG1-CG1 4.06Å; V296-V305 HydrophobicContact CG2-CG2 4.47Å; V296-V307 CarbonylContact C-O 3.58Å; V296-V307 VanDerWaalsContact CA-O 3.32Å; V296-V307 WeakPolarHBondContact CA-O 3.41Å; V296-R308 HydrophobicContact CG1-CB 4.24Å
297	G	98.5	Very high	97.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.8	168.5	0	0	0	0	0	109.7	L306 V307	G297-L306 PolarHBondContact O-N 3.17Å; G297-V307 PolarHBondContact N-O 2.83Å; G297-V307 PolarHBondContact O-N 3.03Å
298	V	98.4	Very high	97.3	Very high	8 Å²	8	62.7 Å²	62.7	5%	0.048	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.7	-174.1	-175.9	0	0	0	0	109.4	L286 T287 K289 V296 S300 G303 N304 V305	L286-V298 CarbonylContact C-O 3.5Å; L286-V298 WeakPolarHBondContact CA-O 3.19Å; T287-V298 PolarHBondContact N-O 3.17Å; T287-V298 PolarHBondContact O-N 3.07Å; T287-V298 PolarHBondContact OG1-O 3.46Å; T287-V298 VanDerWaalsContact OG1-O 3.06Å; K289-V298 HydrophobicContact CD-CG2 4.23Å; V296-V298 HydrophobicContact CG2-CG2 3.95Å; V298-S300 PolarHBondContact O-N 3.41Å; V298-G303 VanDerWaalsContact CG1-C 3.43Å; V298-G303 VanDerWaalsContact CG1-O 3.28Å; V298-G303 WeakPolarHBondContact CG1-O 3.49Å; V298-N304 CarbonylContact C-O 3.56Å; V298-N304 WeakPolarHBondContact CA-O 3.45Å; V298-V305 HydrophobicContact CG2-CG2 4.24Å
299	D	98.2	Very high	97.2	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.08	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	119.4	169.4	-174.3	-22.7	0	0	0	109.9	I284 E301 T302 G303 N304 L306	I284-D299 HydrophobicContact CG2-CB 4.49Å; D299-E301 PolarHBondContact O-N 3.21Å; D299-E301 PolarHBondContact OD1-N 3.06Å; D299-T302 VanDerWaalsContact CB-OG1 3.22Å; D299-T302 WeakPolarHBondContact CB-OG1 3.47Å; D299-T302 PolarHBondContact OD1-N 3.34Å; D299-T302 WeakPolarHBondContact OD2-CG2 3.2Å; D299-T302 PolarHBondContact OD2-OG1 3.3Å; D299-G303 WeakPolarHBondContact O-CA 3.43Å; D299-G303 PolarHBondContact O-N 3.03Å; D299-N304 PolarHBondContact N-O 3.35Å; D299-L306 HydrophobicContact CB-CD1 3.73Å; D299-L306 HydrophobicContact CB-CG 4.02Å
300	S	96.9	Very high	97.2	Very high	57 Å²	57	56.7 Å²	56.7	40%	0.399	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.6	-177.8	58.1	0	0	0	0	113.6	H285 V298	H285-S300 WeakPolarHBondContact CB-OG 3.34Å; H285-S300 PolarHBondContact O-N 3.37Å; H285-S300 PolarHBondContact O-OG 3.4Å; V298-S300 PolarHBondContact O-N 3.41Å
301	E	96.6	Very high	97.1	Very high	160 Å²	160	61.5 Å²	61.5	75%	0.748	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-43.3	-178.4	-62.6	-174.4	177.1	0	0	111.9	D299	D299-E301 PolarHBondContact O-N 3.21Å; D299-E301 PolarHBondContact OD1-N 3.06Å
302	T	96.3	Very high	97.1	Very high	78 Å²	78	63.2 Å²	63.2	48%	0.479	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-19	-173.5	68.4	0	0	0	0	113.8	D299 N304	D299-T302 VanDerWaalsContact CB-OG1 3.22Å; D299-T302 WeakPolarHBondContact CB-OG1 3.47Å; D299-T302 PolarHBondContact OD1-N 3.34Å; D299-T302 WeakPolarHBondContact OD2-CG2 3.2Å; D299-T302 PolarHBondContact OD2-OG1 3.3Å; T302-N304 PolarHBondContact O-N 3.13Å; T302-N304 WeakPolarHBondContact OG1-CB 3.3Å; T302-N304 PolarHBondContact OG1-N 3.28Å; T302-N304 PolarHBondContact OG1-ND2 2.95Å
303	G	96.6	Very high	97.2	Very high	50 Å²	50	64.6 Å²	64.6	52%	0.515	33%	0.332	S	S	.	.			trans	73.3	3.3	-173	0	0	0	0	0	114.2	V298 D299	V298-G303 VanDerWaalsContact CG1-C 3.43Å; V298-G303 VanDerWaalsContact CG1-O 3.28Å; V298-G303 WeakPolarHBondContact CG1-O 3.49Å; D299-G303 WeakPolarHBondContact O-CA 3.43Å; D299-G303 PolarHBondContact O-N 3.03Å
304	N	97.3	Very high	97.1	Very high	98 Å²	98	64.1 Å²	64.1	52%	0.524	33%	0.327	S	S	.	.			trans	-73.4	138.7	178.5	-70	-24.9	0	0	0	111.2	V298 D299 T302 L306	V298-N304 CarbonylContact C-O 3.56Å; V298-N304 WeakPolarHBondContact CA-O 3.45Å; D299-N304 PolarHBondContact N-O 3.35Å; T302-N304 PolarHBondContact O-N 3.13Å; T302-N304 WeakPolarHBondContact OG1-CB 3.3Å; T302-N304 PolarHBondContact OG1-N 3.28Å; T302-N304 PolarHBondContact OG1-ND2 2.95Å; N304-L306 HydrophobicContact CB-CD2 4.19Å; N304-L306 PolarHBondContact O-N 2.96Å
305	V	98.1	Very high	97.1	Very high	60 Å²	60	61.1 Å²	61.1	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.5	169	174.8	0	0	0	0	108.5	V227 V296 V298	V227-V305 WeakPolarHBondContact CG2-O 3.45Å; V296-V305 HydrophobicContact CB-CG1 4.01Å; V296-V305 HydrophobicContact CB-CG2 4.44Å; V296-V305 HydrophobicContact CG1-CG1 4.06Å; V296-V305 HydrophobicContact CG2-CG2 4.47Å; V298-V305 HydrophobicContact CG2-CG2 4.24Å
306	L	98.4	Very high	97	Very high	12 Å²	12	65.2 Å²	65.2	6%	0.063	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-23.4	179	-60	-172.5	0	0	0	112.7	I220 V227 L228 F279 I284 L286 G297 D299 N304	I220-L306 HydrophobicContact CG2-CD1 4.31Å; I220-L306 HydrophobicContact CG2-CD2 3.97Å; V227-L306 CarbonylContact C-O 3.54Å; V227-L306 WeakPolarHBondContact CA-O 3.13Å; L228-L306 PolarHBondContact N-O 3.09Å; F279-L306 HydrophobicContact CD1-CD1 4.24Å; F279-L306 HydrophobicContact CE1-CB 4.05Å; F279-L306 HydrophobicContact CE1-CD1 3.84Å; F279-L306 HydrophobicContact CZ-CB 4.15Å; I284-L306 HydrophobicContact CD1-CD1 4.36Å; I284-L306 HydrophobicContact CG2-CD1 3.56Å; L286-L306 HydrophobicContact CD2-CB 4.14Å; L286-L306 HydrophobicContact CD2-CD1 4.16Å; G297-L306 PolarHBondContact O-N 3.17Å; D299-L306 HydrophobicContact CB-CD1 3.73Å; D299-L306 HydrophobicContact CB-CG 4.02Å; N304-L306 HydrophobicContact CB-CD2 4.19Å; N304-L306 PolarHBondContact O-N 2.96Å
307	V	98.6	Very high	96.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.2	176.6	-171.5	0	0	0	0	109.5	L228 L230 T275 F279 L286 W288 V296 G297	L228-V307 HydrophobicContact CB-CG2 4.47Å; L228-V307 CarbonylContact O-C 3.6Å; L228-V307 VanDerWaalsContact O-CA 3.26Å; L228-V307 WeakPolarHBondContact O-CA 3.47Å; L230-V307 HydrophobicContact CD1-CG1 4Å; L230-V307 HydrophobicContact CG-CG1 4.47Å; T275-V307 HydrophobicContact CG2-CG2 3.93Å; F279-V307 HydrophobicContact CD2-CG2 4.43Å; F279-V307 HydrophobicContact CE2-CG2 3.51Å; F279-V307 HydrophobicContact CZ-CG2 3.81Å; L286-V307 HydrophobicContact CD1-CG2 3.85Å; W288-V307 HydrophobicContact CH2-CB 4.11Å; W288-V307 HydrophobicContact CH2-CG1 3.88Å; W288-V307 HydrophobicContact CH2-CG2 4.5Å; W288-V307 HydrophobicContact CZ3-CB 4.27Å; W288-V307 HydrophobicContact CZ3-CG1 4.12Å; V296-V307 CarbonylContact C-O 3.58Å; V296-V307 VanDerWaalsContact CA-O 3.32Å; V296-V307 WeakPolarHBondContact CA-O 3.41Å; G297-V307 PolarHBondContact N-O 2.83Å; G297-V307 PolarHBondContact O-N 3.03Å
308	R	98	Very high	96.6	Very high	120 Å²	120	65.8 Å²	65.8	45%	0.453	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.1	170.8	71.2	-176.9	-174.3	-169	2.4	111.7	V227 L228 E229 L230 V296	V227-R308 HydrophobicContact CG1-CB 4.26Å; V227-R308 HydrophobicContact CG1-CG 3.76Å; L228-R308 PolarHBondContact O-N 3.11Å; E229-R308 CarbonylContact C-O 3.19Å; E229-R308 VanDerWaalsContact CA-O 3.3Å; E229-R308 WeakPolarHBondContact CA-O 3.5Å; E229-R308 HydrophobicContact CB-CG 4.48Å; E229-R308 HydrophobicContact CG-CG 3.82Å; E229-R308 IonicContact OE1-CZ 2.77Å; E229-R308 IonicContact OE1-NE 3.66Å; E229-R308 PolarHBondContact OE1-NE 3.44Å; E229-R308 IonicContact OE1-NH2 3.67Å; E229-R308 PolarHBondContact OE1-NH2 3.34Å; L230-R308 PolarHBondContact N-O 2.89Å; V296-R308 HydrophobicContact CG1-CB 4.24Å
309	V	98.2	Very high	96.4	Very high	14 Å²	14	65.6 Å²	65.6	9%	0.085	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.1	171.2	-177.4	0	0	0	0	109.6	L230 L233 I293 E295 F314	L230-V309 CarbonylContact O-C 3.53Å; L230-V309 WeakPolarHBondContact O-CA 3.27Å; L233-V309 HydrophobicContact CD1-CG2 3.59Å; L233-V309 HydrophobicContact CG-CG2 4.06Å; I293-V309 HydrophobicContact CD1-CG1 3.89Å; E295-V309 HydrophobicContact CB-CG2 4.1Å; E295-V309 PolarHBondContact O-N 2.95Å; V309-F314 HydrophobicContact CG1-CE2 3.56Å; V309-F314 HydrophobicContact CG1-CZ 3.78Å
310	N	96.4	Very high	96.1	Very high	40 Å²	40	70 Å²	70	21%	0.214	36%	0.36	C	S	.	.			trans	-137.1	124.8	176	-175.3	-31.3	0	0	0	110	E229 L230 R312 Y313	E229-N310 HydrophobicContact CB-CB 4.24Å; E229-N310 VanDerWaalsContact CD-ND2 3.33Å; E229-N310 PolarHBondContact OE1-ND2 2.94Å; E229-N310 PolarHBondContact OE2-ND2 3.09Å; L230-N310 PolarHBondContact O-N 3.2Å; N310-R312 HydrophobicContact CB-CG 4.44Å; N310-R312 PolarHBondContact ND2-NE 2.79Å; N310-R312 PolarHBondContact O-N 2.58Å; N310-R312 VanDerWaalsContact O-N 3.08Å; N310-R312 WeakPolarHBondContact OD1-CB 3.34Å; N310-R312 WeakPolarHBondContact OD1-CG 3.48Å; N310-R312 PolarHBondContact OD1-N 2.85Å; N310-R312 VanDerWaalsContact OD1-N 3.07Å; N310-Y313 HydrophobicContact CB-CD2 4.02Å; N310-Y313 HydrophobicContact CB-CE2 4.31Å; N310-Y313 PolarHBondContact O-N 2.72Å; N310-Y313 VanDerWaalsContact O-N 3.09Å
311	E	95.5	Very high	96.1	Very high	151 Å²	151	68.6 Å²	68.6	71%	0.706	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-54.9	-31.8	-174.5	-165.3	179	-180	0	0	112.5	I293 Y313 F314	I293-E311 HydrophobicContact CD1-CB 3.8Å; E311-Y313 PolarHBondContact O-N 2.86Å; E311-F314 WeakPolarHBondContact O-CB 3.49Å; E311-F314 WeakPolarHBondContact O-CD2 3.24Å; E311-F314 PolarHBondContact O-N 3.06Å
312	R	94.9	Very high	96.1	Very high	151 Å²	151	61 Å²	61	57%	0.57	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-57.7	-22.1	-179.9	79.5	-170.5	178.4	148.6	-4.3	114.4	E229 N310	E229-R312 IonicContact OE2-CZ 3.11Å; E229-R312 VanDerWaalsContact OE2-CZ 3.26Å; E229-R312 IonicContact OE2-NE 3.96Å; E229-R312 PolarHBondContact OE2-NE 2.83Å; E229-R312 IonicContact OE2-NH2 3.33Å; E229-R312 PolarHBondContact OE2-NH2 2.97Å; N310-R312 HydrophobicContact CB-CG 4.44Å; N310-R312 PolarHBondContact ND2-NE 2.79Å; N310-R312 PolarHBondContact O-N 2.58Å; N310-R312 VanDerWaalsContact O-N 3.08Å; N310-R312 WeakPolarHBondContact OD1-CB 3.34Å; N310-R312 WeakPolarHBondContact OD1-CG 3.48Å; N310-R312 PolarHBondContact OD1-N 2.85Å; N310-R312 VanDerWaalsContact OD1-N 3.07Å
313	Y	95.2	Very high	96.2	Very high	78 Å²	78	58.6 Å²	58.6	31%	0.306	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-94	-5.7	-178.5	-66.4	-61.4	0	0	0	114.1	K212 E229 N310 E311	K212-Y313 PolarHBondContact NZ-OH 3.2Å; E229-Y313 HydrophobicContact CB-CD2 4.24Å; E229-Y313 HydrophobicContact CB-CE2 3.59Å; N310-Y313 HydrophobicContact CB-CD2 4.02Å; N310-Y313 HydrophobicContact CB-CE2 4.31Å; N310-Y313 PolarHBondContact O-N 2.72Å; N310-Y313 VanDerWaalsContact O-N 3.09Å; E311-Y313 PolarHBondContact O-N 2.86Å
314	F	94.7	Very high	96.3	Very high	71 Å²	71	56.4 Å²	56.4	31%	0.311	27%	0.274	S	S	.	.	S	Bend	trans	-72.5	153.2	171.5	-71.7	-103.2	0	0	0	110.5	K105 N232 I293 V309 E311	K105-F314 WeakPolarHBondContact CD-O 3.23Å; K105-F314 WeakPolarHBondContact CE-O 3.49Å; N232-F314 HydrophobicContact CB-CD1 4.13Å; N232-F314 HydrophobicContact CB-CE1 3.73Å; N232-F314 HydrophobicContact CB-CZ 4.38Å; I293-F314 HydrophobicContact CD1-CE2 4.25Å; V309-F314 HydrophobicContact CG1-CE2 3.56Å; V309-F314 HydrophobicContact CG1-CZ 3.78Å; E311-F314 WeakPolarHBondContact O-CB 3.49Å; E311-F314 WeakPolarHBondContact O-CD2 3.24Å; E311-F314 PolarHBondContact O-N 3.06Å
315	R	95.6	Very high	96.3	Very high	66 Å²	66	54.4 Å²	54.4	25%	0.249	26%	0.263	C	S	.	.			trans	-97.2	150.2	172	-62.6	110.1	172.9	-123.9	-6.3	109.7	K105 F108 A317 E318	K105-R315 HydrophobicContact CB-CG 4.41Å; K105-R315 HydrophobicContact CD-CG 4.06Å; F108-R315 HydrophobicContact CE2-CB 4.05Å; F108-R315 HydrophobicContact CE2-CG 4.32Å; F108-R315 HydrophobicContact CZ-CB 4.49Å; R315-A317 PolarHBondContact O-N 2.8Å; R315-E318 VanDerWaalsContact CD-OE1 3.31Å; R315-E318 WeakPolarHBondContact CD-OE1 3.33Å; R315-E318 VanDerWaalsContact CD-OE2 3.29Å; R315-E318 WeakPolarHBondContact CD-OE2 3.04Å; R315-E318 IonicContact CZ-OE1 3.29Å; R315-E318 IonicContact NE-OE1 3.92Å; R315-E318 IonicContact NH1-OE1 3.1Å; R315-E318 PolarHBondContact NH1-OE1 2.98Å
316	P	95.7	Very high	96.3	Very high	103 Å²	103	51.8 Å²	51.8	67%	0.669	25%	0.247	S	C	*	.	S	Bend	trans	-54.8	-32.9	173.7	-27.5	35.9	0	0	0	113.7	F108	F108-P316 HydrophobicContact CB-CG 4.43Å; F108-P316 HydrophobicContact CD1-CB 4.09Å; F108-P316 HydrophobicContact CD1-CG 3.68Å; F108-P316 HydrophobicContact CD2-CG 4.47Å; F108-P316 HydrophobicContact CE1-CB 3.93Å; F108-P316 HydrophobicContact CE1-CG 3.97Å; F108-P316 HydrophobicContact CG-CG 3.95Å; F108-P316 HydrophobicContact CZ-CB 4.5Å; F108-P316 HydrophobicContact CZ-CG 4.47Å
317	A	96	Very high	96.3	Very high	20 Å²	20	54.2 Å²	54.2	17%	0.165	26%	0.262	C	S	.	.	S	Bend	trans	-134.3	117.7	171.2	0	0	0	0	0	108.5	R166 R315	R166-A317 HydrophobicContact CB-CB 4.38Å; R166-A317 WeakPolarHBondContact O-CB 3.41Å; R315-A317 PolarHBondContact O-N 2.8Å
318	E	92.4	Very high	96.3	Very high	29 Å²	29	57.8 Å²	57.8	14%	0.136	28%	0.276	C	S	.	.			trans	-86.5	157.2	-180	-166.4	54.9	-83.2	0	0	112	R237 R315	R237-E318 IonicContact NH2-OE1 3.37Å; R315-E318 VanDerWaalsContact CD-OE1 3.31Å; R315-E318 WeakPolarHBondContact CD-OE1 3.33Å; R315-E318 VanDerWaalsContact CD-OE2 3.29Å; R315-E318 WeakPolarHBondContact CD-OE2 3.04Å; R315-E318 IonicContact CZ-OE1 3.29Å; R315-E318 IonicContact NE-OE1 3.92Å; R315-E318 IonicContact NH1-OE1 3.1Å; R315-E318 PolarHBondContact NH1-OE1 2.98Å
319	V	94.7	Very high	96.3	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.024	26%	0.255	C	S	.	.			trans	-107.2	109.1	163.4	174.6	0	0	0	0	106.9	R166 S235 R237 L322	R166-V319 HydrophobicContact CB-CG2 4.09Å; S235-V319 PolarHBondContact OG-O 3.04Å; S235-V319 VanDerWaalsContact OG-O 3.1Å; R237-V319 VanDerWaalsContact CZ-O 3.27Å; R237-V319 PolarHBondContact NH1-O 3.31Å; R237-V319 PolarHBondContact NH2-O 2.64Å; V319-L322 HydrophobicContact CG1-CD1 3.86Å; V319-L322 HydrophobicContact CG1-CD2 3.94Å; V319-L322 HydrophobicContact CG1-CG 3.64Å
320	D	92.2	Very high	96.2	Very high	107 Å²	107	55.4 Å²	55.4	57%	0.572	27%	0.268	S	S	*	.			trans	-77.1	-44	-169.4	-60.5	-48.1	0	0	0	112.1	E236	E236-D320 PolarHBondContact N-O 2.74Å
321	L	95.9	Very high	96.3	Very high	28 Å²	28	59 Å²	59	15%	0.147	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-139.3	133.8	-172.7	168.8	63.7	0	0	0	110.6	V152 E236 K268	V152-L321 WeakPolarHBondContact CG1-O 3.28Å; E236-L321 HydrophobicContact CB-CD1 3.79Å; K268-L321 HydrophobicContact CD-CD1 3.36Å
322	L	97.5	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.266	C	S	.	.			trans	-134.3	127.1	165.9	-69.5	174.4	0	0	0	109.1	V152 F197 E236 R237 D238 V319	V152-L322 HydrophobicContact CG1-CD2 4.12Å; F197-L322 HydrophobicContact CD1-CB 4.07Å; F197-L322 HydrophobicContact CE1-CB 3.88Å; F197-L322 HydrophobicContact CE1-CD2 4.46Å; E236-L322 PolarHBondContact O-N 3.07Å; R237-L322 CarbonylContact C-O 3.58Å; D238-L322 PolarHBondContact N-O 2.86Å; V319-L322 HydrophobicContact CG1-CD1 3.86Å; V319-L322 HydrophobicContact CG1-CD2 3.94Å; V319-L322 HydrophobicContact CG1-CG 3.64Å
323	L	98.4	Very high	96.6	Very high	29 Å²	29	48.2 Å²	48.2	15%	0.152	24%	0.242	C	C	.	.			trans	-146.7	117.3	176.9	175.6	63.8	0	0	0	109.1	P156 Q157 K268	P156-L323 CarbonylContact C-O 3.58Å; P156-L323 VanDerWaalsContact CA-O 3.31Å; P156-L323 WeakPolarHBondContact CA-O 3.47Å; P156-L323 HydrophobicContact CB-CD2 4.2Å; P156-L323 HydrophobicContact CB-CG 4Å; P156-L323 WeakPolarHBondContact CB-O 3.19Å; Q157-L323 PolarHBondContact N-O 2.95Å; Q157-L323 PolarHBondContact OE1-O 2.78Å; K268-L323 HydrophobicContact CB-CB 4.47Å; K268-L323 HydrophobicContact CB-CD1 4.07Å; K268-L323 HydrophobicContact CD-CD2 4.38Å; K268-L323 HydrophobicContact CG-CD1 4.46Å
324	G	98.3	Very high	96.7	Very high	4 Å²	4	52.4 Å²	52.4	4%	0.041	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-95.3	140.8	-172.4	0	0	0	0	0	113.8	D238	D238-G324 PolarHBondContact OD2-N 3.2Å
325	D	98.4	Very high	96.9	Very high	56 Å²	56	49.1 Å²	49.1	30%	0.299	25%	0.247	S	C	.	.			trans	-98.3	104.1	164.9	178.7	4.4	0	0	0	109.4	P156 Q157 V262 T327	P156-D325 HydrophobicContact CB-CB 4.03Å; P156-D325 HydrophobicContact CG-CB 3.92Å; Q157-D325 PolarHBondContact O-N 3.07Å; V262-D325 WeakPolarHBondContact CG1-O 3.34Å; D325-T327 WeakPolarHBondContact OD1-CB 3.48Å; D325-T327 PolarHBondContact OD1-N 3.29Å; D325-T327 PolarHBondContact OD1-OG1 3.48Å
326	C	97.7	Very high	96.9	Very high	4 Å²	4	52 Å²	52	3%	0.027	26%	0.263	C	S	.	.			trans	-97.4	21.1	179.2	65.8	0	0	0	0	113.4	V262 A264 R328 A329 K330 W335	V262-C326 HydrophobicContact CG1-CB 4.45Å; V262-C326 WeakPolarHBondContact O-CB 3.45Å; A264-C326 HydrophobicContact CB-CB 4.41Å; A264-C326 PolarHBondContact O-SG 3.08Å; A264-C326 VanDerWaalsContact O-SG 3.33Å; C326-R328 VanDerWaalsContact C-N 3.28Å; C326-R328 PolarHBondContact O-N 2.78Å; C326-A329 HydrophobicContact CB-CB 4.38Å; C326-A329 WeakPolarHBondContact O-CB 3.43Å; C326-A329 PolarHBondContact O-N 2.96Å; C326-K330 PolarHBondContact O-N 3.1Å; C326-W335 HydrophobicContact CB-CZ3 4.41Å
327	T	98.3	Very high	96.9	Very high	63 Å²	63	49 Å²	49	39%	0.387	24%	0.244	S	C	.	.	H	α-helix	trans	-51.6	-44	-178.3	-63.5	0	0	0	0	112.3	D325 A329 K330 E331	D325-T327 WeakPolarHBondContact OD1-CB 3.48Å; D325-T327 PolarHBondContact OD1-N 3.29Å; D325-T327 PolarHBondContact OD1-OG1 3.48Å; T327-A329 VanDerWaalsContact C-N 3.34Å; T327-A329 PolarHBondContact O-N 2.77Å; T327-K330 WeakPolarHBondContact O-CB 3.31Å; T327-K330 PolarHBondContact O-N 2.79Å; T327-E331 HydrophobicContact CG2-CG 4.36Å; T327-E331 WeakPolarHBondContact O-CG 3.26Å; T327-E331 PolarHBondContact O-N 2.81Å
328	R	97.8	Very high	97	Very high	76 Å²	76	53.2 Å²	53.2	29%	0.287	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-37.9	177.4	-73.8	-175.9	67.5	-138.5	-0.7	113	E159 E259 D260 F261 C326 E331 L332	E159-R328 IonicContact OE1-NH1 3.95Å; E159-R328 WeakPolarHBondContact OE2-CD 3.38Å; E159-R328 IonicContact OE2-NH1 3.96Å; E259-R328 IonicContact OE2-NH2 3.04Å; E259-R328 PolarHBondContact OE2-NH2 3.49Å; D260-R328 PolarHBondContact O-NH1 2.94Å; F261-R328 HydrophobicContact CD1-CB 4.29Å; F261-R328 HydrophobicContact CE1-CB 4.4Å; C326-R328 VanDerWaalsContact C-N 3.28Å; C326-R328 PolarHBondContact O-N 2.78Å; R328-E331 PolarHBondContact O-N 3.07Å; R328-L332 WeakPolarHBondContact O-CB 3.3Å; R328-L332 PolarHBondContact O-N 3.08Å
329	A	98.2	Very high	97.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-40.4	176.3	0	0	0	0	0	111.4	F261 I263 C326 T327 L333 K334 W335	F261-A329 HydrophobicContact CD1-CB 4.39Å; I263-A329 HydrophobicContact CD1-CB 3.5Å; I263-A329 VanDerWaalsContact CD1-CB 3.5Å; C326-A329 HydrophobicContact CB-CB 4.38Å; C326-A329 WeakPolarHBondContact O-CB 3.43Å; C326-A329 PolarHBondContact O-N 2.96Å; T327-A329 VanDerWaalsContact C-N 3.34Å; T327-A329 PolarHBondContact O-N 2.77Å; A329-L333 HydrophobicContact CB-CD1 4.2Å; A329-L333 CarbonylContact O-C 3.58Å; A329-L333 WeakPolarHBondContact O-CA 3.42Å; A329-L333 WeakPolarHBondContact O-CB 3.17Å; A329-L333 PolarHBondContact O-N 3.01Å; A329-K334 PolarHBondContact O-N 2.97Å; A329-W335 HydrophobicContact CB-CE3 4.34Å; A329-W335 PolarHBondContact O-N 3.45Å
330	K	97.7	Very high	97.3	Very high	83 Å²	83	53.9 Å²	53.9	36%	0.361	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-47.3	173.8	-61.8	-174.1	178.2	179.6	0	111.5	C326 T327 K334 W335 E336	C326-K330 PolarHBondContact O-N 3.1Å; T327-K330 WeakPolarHBondContact O-CB 3.31Å; T327-K330 PolarHBondContact O-N 2.79Å; K330-K334 VanDerWaalsContact O-CA 3.27Å; K330-K334 WeakPolarHBondContact O-CA 3.44Å; K330-K334 PolarHBondContact O-N 3.04Å; K330-W335 WeakPolarHBondContact CA-O 3.49Å; K330-W335 WeakPolarHBondContact CG-O 3.49Å; K330-E336 HydrophobicContact CD-CG 4.21Å; K330-E336 HydrophobicContact CG-CG 4Å
331	E	97.8	Very high	97.5	Very high	115 Å²	115	49.4 Å²	49.4	54%	0.537	26%	0.257	S	S	.	.	H	α-helix	trans	-70.3	-48.1	-176.3	-71.4	176.3	171.1	0	0	113.2	T327 R328 K334	T327-E331 HydrophobicContact CG2-CG 4.36Å; T327-E331 WeakPolarHBondContact O-CG 3.26Å; T327-E331 PolarHBondContact O-N 2.81Å; R328-E331 PolarHBondContact O-N 3.07Å; E331-K334 WeakPolarHBondContact O-CE 3.49Å; E331-K334 PolarHBondContact O-NZ 3.4Å
332	L	97.9	Very high	97.7	Very high	67 Å²	67	51.3 Å²	51.3	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-96.3	-32	-169.5	-60.8	179.6	0	0	0	113.9	F261 R328	F261-L332 HydrophobicContact CE1-CB 4.01Å; F261-L332 HydrophobicContact CE1-CD1 3.96Å; F261-L332 HydrophobicContact CZ-CB 4.25Å; F261-L332 HydrophobicContact CZ-CD1 4.24Å; R328-L332 WeakPolarHBondContact O-CB 3.3Å; R328-L332 PolarHBondContact O-N 3.08Å
333	L	98	Very high	97.7	Very high	10 Å²	10	56.8 Å²	56.8	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-98.2	-12	178.5	-50.5	-177.6	0	0	0	112.7	L251 M252 R255 F261 I263 A329 W335	L251-L333 HydrophobicContact CB-CB 4.31Å; L251-L333 HydrophobicContact CD1-CB 4.4Å; M252-L333 HydrophobicContact CE-CD1 4.35Å; M252-L333 HydrophobicContact CG-CD1 3.78Å; R255-L333 HydrophobicContact CG-CD2 3.76Å; F261-L333 HydrophobicContact CB-CD1 4.44Å; F261-L333 HydrophobicContact CD1-CD1 4.17Å; F261-L333 HydrophobicContact CD1-CG 4.28Å; F261-L333 HydrophobicContact CD2-CD1 4.09Å; F261-L333 HydrophobicContact CD2-CD2 4.41Å; F261-L333 HydrophobicContact CE1-CD1 4.45Å; F261-L333 HydrophobicContact CE1-CD2 4.26Å; F261-L333 HydrophobicContact CE1-CG 4.1Å; F261-L333 HydrophobicContact CE2-CD1 4.36Å; F261-L333 HydrophobicContact CE2-CD2 3.87Å; F261-L333 HydrophobicContact CE2-CG 4.36Å; F261-L333 HydrophobicContact CG-CD1 3.98Å; F261-L333 HydrophobicContact CZ-CD2 3.8Å; F261-L333 HydrophobicContact CZ-CG 4.15Å; I263-L333 HydrophobicContact CD1-CD1 4.43Å; A329-L333 HydrophobicContact CB-CD1 4.2Å; A329-L333 CarbonylContact O-C 3.58Å; A329-L333 WeakPolarHBondContact O-CA 3.42Å; A329-L333 WeakPolarHBondContact O-CB 3.17Å; A329-L333 PolarHBondContact O-N 3.01Å; L333-W335 HydrophobicContact CB-CB 4.1Å; L333-W335 PolarHBondContact O-N 2.9Å
334	K	97.9	Very high	97.7	Very high	165 Å²	165	55.4 Å²	55.4	72%	0.717	29%	0.288	S	S	*	.			trans	53.1	38.8	-169.9	-51.4	-52.8	-173.9	-165.5	0	111.5	A329 K330 E331	A329-K334 PolarHBondContact O-N 2.97Å; K330-K334 VanDerWaalsContact O-CA 3.27Å; K330-K334 WeakPolarHBondContact O-CA 3.44Å; K330-K334 PolarHBondContact O-N 3.04Å; E331-K334 WeakPolarHBondContact O-CE 3.49Å; E331-K334 PolarHBondContact O-NZ 3.4Å
335	W	98	Very high	97.7	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.011	29%	0.286	C	S	.	.			trans	-103.7	134.4	179.9	178.2	88.8	0	0	0	110.5	D244 Y245 A248 L251 I263 C326 A329 K330 L333 P337	D244-W335 HydrophobicContact CB-CZ2 4.29Å; D244-W335 PolarHBondContact O-NE1 3.31Å; Y245-W335 HydrophobicContact CD1-CH2 4.34Å; Y245-W335 AromaticContact CD1-CZ2 3.9Å; Y245-W335 HydrophobicContact CD1-CZ2 3.9Å; Y245-W335 HydrophobicContact CE1-CH2 4.05Å; Y245-W335 HydrophobicContact CE1-CZ2 4.05Å; A248-W335 HydrophobicContact CB-CD2 4.17Å; A248-W335 HydrophobicContact CB-CG 4.05Å; L251-W335 HydrophobicContact CD1-CB 3.87Å; L251-W335 HydrophobicContact CD1-CG 4.34Å; I263-W335 HydrophobicContact CD1-CD2 4.35Å; I263-W335 HydrophobicContact CD1-CE3 4.1Å; I263-W335 HydrophobicContact CD1-CZ3 4.44Å; I263-W335 HydrophobicContact CG2-CD2 4.48Å; I263-W335 HydrophobicContact CG2-CE3 4.33Å; I263-W335 HydrophobicContact CG2-CH2 3.45Å; I263-W335 VanDerWaalsContact CG2-CH2 3.45Å; I263-W335 HydrophobicContact CG2-CZ2 3.6Å; I263-W335 HydrophobicContact CG2-CZ3 3.84Å; C326-W335 HydrophobicContact CB-CZ3 4.41Å; A329-W335 HydrophobicContact CB-CE3 4.34Å; A329-W335 PolarHBondContact O-N 3.45Å; K330-W335 WeakPolarHBondContact CA-O 3.49Å; K330-W335 WeakPolarHBondContact CG-O 3.49Å; L333-W335 HydrophobicContact CB-CB 4.1Å; L333-W335 PolarHBondContact O-N 2.9Å; W335-P337 HydrophobicContact CH2-CB 4.21Å
336	E	96.3	Very high	97.7	Very high	126 Å²	126	56.7 Å²	56.7	59%	0.589	29%	0.29	S	S	*	.			trans	-140.9	147.5	172.5	-69.1	-175.4	160.9	0	0	109.3	K330	K330-E336 HydrophobicContact CD-CG 4.21Å; K330-E336 HydrophobicContact CG-CG 4Å
337	P	96.3	Very high	97.7	Very high	40 Å²	40	59.7 Å²	59.7	26%	0.26	31%	0.305	S	S	.	.			trans	-65.9	141.9	173.3	30.2	-35.8	0	0	0	110.2	W335	W335-P337 HydrophobicContact CH2-CB 4.21Å
338	T	96.9	Very high	97.8	Very high	108 Å²	108	56.7 Å²	56.7	66%	0.663	29%	0.286	S	S	*	.			trans	-108.6	-25.7	-179.8	72.3	0	0	0	0	112.9	D244	D244-T338 VanDerWaalsContact CG-OG1 3.3Å; D244-T338 PolarHBondContact OD1-OG1 3.17Å; D244-T338 PolarHBondContact OD2-N 3.06Å; D244-T338 PolarHBondContact OD2-OG1 3.33Å
339	C	96.3	Very high	97.8	Very high	11 Å²	11	53.1 Å²	53.1	7%	0.074	27%	0.273	C	S	.	.	S	Bend	trans	-101.2	117.5	177.2	-179.5	0	0	0	0	110.9	F241 D244	F241-C339 HydrophobicContact CB-CB 3.54Å; F241-C339 HydrophobicContact CD1-CB 4.28Å; F241-C339 HydrophobicContact CG-CB 4.12Å; D244-C339 PolarHBondContact OD2-N 3.41Å; D244-C339 VanDerWaalsContact OD2-N 3.09Å
340	G	96.8	Very high	97.8	Very high	36 Å²	36	56.4 Å²	56.4	37%	0.371	29%	0.291	S	S	.	.			trans	-74.8	167.4	175.7	0	0	0	0	0	113.3	T342 E343 L344	G340-T342 PolarHBondContact O-N 2.85Å; G340-E343 PolarHBondContact O-N 2.99Å; G340-L344 WeakPolarHBondContact O-CB 3.4Å; G340-L344 PolarHBondContact O-N 3.43Å
341	F	98.2	Very high	97.8	Very high	14 Å²	14	55.5 Å²	55.5	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-55.9	-49.4	-178.6	175	-109.1	0	0	0	113	W239 H269 F274 L277 E343 L344 V345	W239-F341 HydrophobicContact CB-CD2 4.37Å; W239-F341 HydrophobicContact CD2-CE2 4.34Å; W239-F341 HydrophobicContact CE3-CD2 4.16Å; W239-F341 AromaticContact CE3-CE2 3.47Å; W239-F341 HydrophobicContact CE3-CE2 3.47Å; W239-F341 VanDerWaalsContact CE3-CE2 3.47Å; W239-F341 HydrophobicContact CE3-CZ 4.34Å; W239-F341 AromaticContact CZ3-CE2 3.97Å; W239-F341 HydrophobicContact CZ3-CE2 3.97Å; W239-F341 HydrophobicContact CZ3-CZ 4.41Å; H269-F341 HydrophobicContact CB-CD1 4.45Å; H269-F341 HydrophobicContact CB-CD2 4.3Å; H269-F341 HydrophobicContact CB-CE1 3.98Å; H269-F341 HydrophobicContact CB-CE2 3.8Å; H269-F341 HydrophobicContact CB-CZ 3.62Å; H269-F341 AromaticContact CD2-CD1 3.46Å; H269-F341 VanDerWaalsContact CD2-CD1 3.46Å; H269-F341 WeakPolarHBondContact CD2-CD1 3.42Å; H269-F341 AromaticContact CD2-CD2 3.49Å; H269-F341 VanDerWaalsContact CD2-CD2 3.49Å; H269-F341 WeakPolarHBondContact CD2-CD2 3.48Å; H269-F341 AromaticContact CD2-CE1 3.88Å; H269-F341 AromaticContact CD2-CE2 3.9Å; H269-F341 AromaticContact CD2-CG 3.24Å; H269-F341 WeakPolarHBondContact CD2-CG 3.46Å; H269-F341 AromaticContact CE1-CD1 3.75Å; H269-F341 AromaticContact CG-CD1 3.67Å; H269-F341 AromaticContact CG-CE1 3.6Å; H269-F341 AromaticContact CG-CE2 3.94Å; H269-F341 AromaticContact CG-CG 3.86Å; H269-F341 AromaticContact CG-CZ 3.74Å; H269-F341 AromaticContact ND1-CD1 3.85Å; H269-F341 AromaticContact ND1-CE1 3.83Å; H269-F341 AromaticContact NE2-CD1 3.5Å; H269-F341 AromaticContact NE2-CG 3.49Å; H269-F341 WeakPolarHBondContact NE2-CG 3.36Å; F274-F341 HydrophobicContact CB-CZ 4.06Å; F274-F341 AromaticContact CD2-CE2 3.72Å; F274-F341 HydrophobicContact CD2-CE2 3.72Å; F274-F341 HydrophobicContact CD2-CZ 4Å; F274-F341 HydrophobicContact CE2-CE2 4.44Å; F274-F341 HydrophobicContact CG-CZ 4.4Å; L277-F341 HydrophobicContact CD2-CD1 4.29Å; L277-F341 HydrophobicContact CD2-CE1 4.01Å; F341-E343 VanDerWaalsContact C-N 3.34Å; F341-E343 PolarHBondContact O-N 2.85Å; F341-L344 WeakPolarHBondContact O-CB 3.31Å; F341-L344 PolarHBondContact O-N 3.34Å; F341-V345 HydrophobicContact CD2-CG2 4.49Å; F341-V345 HydrophobicContact CE1-CG2 4.35Å; F341-V345 HydrophobicContact CE2-CG2 4.08Å; F341-V345 HydrophobicContact CZ-CG2 4.01Å; F341-V345 WeakPolarHBondContact O-CG2 3.44Å; F341-V345 PolarHBondContact O-N 2.89Å; F341-V345 VanDerWaalsContact O-N 3.08Å
342	T	98.3	Very high	97.8	Very high	67 Å²	67	50.1 Å²	50.1	41%	0.411	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-41.3	-178.3	-63	0	0	0	0	112.3	L277 G340 V345 K346	L277-T342 HydrophobicContact CD1-CG2 4.31Å; L277-T342 HydrophobicContact CD2-CG2 4.01Å; G340-T342 PolarHBondContact O-N 2.85Å; T342-V345 PolarHBondContact O-N 3.18Å; T342-K346 HydrophobicContact CG2-CD 4.36Å; T342-K346 VanDerWaalsContact O-CG 3.3Å; T342-K346 WeakPolarHBondContact O-CG 3.46Å; T342-K346 PolarHBondContact O-N 2.83Å; T342-K346 VanDerWaalsContact O-N 3.17Å
343	E	98.1	Very high	97.7	Very high	116 Å²	116	48.6 Å²	48.6	54%	0.542	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-42.2	177.1	-175.8	178.5	-169	0	0	111.5	G340 F341 V345 K346 L347	G340-E343 PolarHBondContact O-N 2.99Å; F341-E343 VanDerWaalsContact C-N 3.34Å; F341-E343 PolarHBondContact O-N 2.85Å; E343-V345 PolarHBondContact O-N 3.42Å; E343-K346 PolarHBondContact O-N 2.98Å; E343-L347 VanDerWaalsContact O-CB 3.29Å; E343-L347 WeakPolarHBondContact O-CB 3.45Å; E343-L347 PolarHBondContact O-N 3.48Å
344	L	98.6	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-46.4	176.7	176.1	63.4	0	0	0	111.8	E200 W239 G240 F241 G340 F341 L347 M348	E200-L344 HydrophobicContact CB-CD1 4.32Å; E200-L344 HydrophobicContact CB-CD2 4.18Å; W239-L344 HydrophobicContact CB-CD2 4.19Å; G240-L344 WeakPolarHBondContact O-CD2 3.42Å; F241-L344 HydrophobicContact CB-CD1 4.29Å; F241-L344 HydrophobicContact CD2-CD1 4.06Å; G340-L344 WeakPolarHBondContact O-CB 3.4Å; G340-L344 PolarHBondContact O-N 3.43Å; F341-L344 WeakPolarHBondContact O-CB 3.31Å; F341-L344 PolarHBondContact O-N 3.34Å; L344-L347 PolarHBondContact O-N 3.07Å; L344-M348 HydrophobicContact CD1-CG 4.43Å; L344-M348 HydrophobicContact CD1-SD 4.24Å; L344-M348 HydrophobicContact CG-SD 4.39Å; L344-M348 VanDerWaalsContact O-CG 3.31Å; L344-M348 WeakPolarHBondContact O-CG 3.22Å; L344-M348 PolarHBondContact O-N 3.19Å; L344-M348 VanDerWaalsContact O-N 3.08Å
345	V	98.7	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-49.2	178.2	175.7	0	0	0	0	110.6	F274 L277 A278 F341 T342 E343 L347 M348 V349	F274-V345 HydrophobicContact CD2-CG2 3.76Å; F274-V345 HydrophobicContact CE1-CG2 4.41Å; F274-V345 HydrophobicContact CE2-CG2 3.58Å; F274-V345 HydrophobicContact CG-CG2 4.24Å; F274-V345 HydrophobicContact CZ-CG2 3.91Å; L277-V345 HydrophobicContact CB-CG1 4.24Å; L277-V345 HydrophobicContact CD2-CB 3.78Å; L277-V345 HydrophobicContact CD2-CG1 4.04Å; L277-V345 HydrophobicContact CD2-CG2 3.89Å; L277-V345 HydrophobicContact CG-CB 4.22Å; L277-V345 HydrophobicContact CG-CG1 3.92Å; A278-V345 HydrophobicContact CB-CG1 3.96Å; F341-V345 HydrophobicContact CD2-CG2 4.49Å; F341-V345 HydrophobicContact CE1-CG2 4.35Å; F341-V345 HydrophobicContact CE2-CG2 4.08Å; F341-V345 HydrophobicContact CZ-CG2 4.01Å; F341-V345 WeakPolarHBondContact O-CG2 3.44Å; F341-V345 PolarHBondContact O-N 2.89Å; F341-V345 VanDerWaalsContact O-N 3.08Å; T342-V345 PolarHBondContact O-N 3.18Å; E343-V345 PolarHBondContact O-N 3.42Å; V345-L347 PolarHBondContact O-N 3.06Å; V345-M348 PolarHBondContact O-N 3.3Å; V345-V349 HydrophobicContact CG1-CG2 4.45Å; V345-V349 WeakPolarHBondContact O-CG2 3.37Å; V345-V349 PolarHBondContact O-N 2.8Å
346	K	98.5	Very high	97.2	Very high	87 Å²	87	48.9 Å²	48.9	38%	0.378	26%	0.257	S	S	.	.	H	α-helix	trans	-59.4	-48.1	178.9	-66.7	-177.1	176.7	178.3	0	111.9	H281 T342 E343 M348 V349 D350	H281-K346 WeakPolarHBondContact ND1-CG 3.44Å; T342-K346 HydrophobicContact CG2-CD 4.36Å; T342-K346 VanDerWaalsContact O-CG 3.3Å; T342-K346 WeakPolarHBondContact O-CG 3.46Å; T342-K346 PolarHBondContact O-N 2.83Å; T342-K346 VanDerWaalsContact O-N 3.17Å; E343-K346 PolarHBondContact O-N 2.98Å; K346-M348 VanDerWaalsContact C-N 3.26Å; K346-M348 PolarHBondContact O-N 2.87Å; K346-V349 PolarHBondContact O-N 3.35Å; K346-D350 WeakPolarHBondContact O-CB 3.48Å; K346-D350 VanDerWaalsContact O-CG 3.24Å; K346-D350 PolarHBondContact O-N 3.04Å
347	L	98.2	Very high	97	Very high	66 Å²	66	48.7 Å²	48.7	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-54.7	-42.8	177.3	176.8	66.3	0	0	0	111.9	P202 F241 E343 L344 V345 E351	P202-L347 HydrophobicContact CG-CD1 4.47Å; P202-L347 HydrophobicContact CG-CD2 4.38Å; P202-L347 HydrophobicContact CG-CG 3.93Å; F241-L347 HydrophobicContact CD2-CD2 4.3Å; F241-L347 HydrophobicContact CE2-CD2 3.95Å; F241-L347 HydrophobicContact CZ-CD2 4.48Å; E343-L347 VanDerWaalsContact O-CB 3.29Å; E343-L347 WeakPolarHBondContact O-CB 3.45Å; E343-L347 PolarHBondContact O-N 3.48Å; L344-L347 PolarHBondContact O-N 3.07Å; V345-L347 PolarHBondContact O-N 3.06Å; L347-E351 WeakPolarHBondContact O-CB 3.43Å; L347-E351 PolarHBondContact O-N 3.03Å
348	M	98.7	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.2	-45.7	178.7	-69.8	-178.4	66.7	0	0	112.5	E200 R204 R211 T214 F274 L344 V345 K346 E351 D352	E200-M348 HydrophobicContact CB-SD 3.89Å; R204-M348 HydrophobicContact CB-CE 4.48Å; R211-M348 HydrophobicContact CB-CE 4.25Å; T214-M348 HydrophobicContact CG2-CB 3.61Å; T214-M348 HydrophobicContact CG2-CE 4.38Å; F274-M348 HydrophobicContact CZ-SD 4.22Å; L344-M348 HydrophobicContact CD1-CG 4.43Å; L344-M348 HydrophobicContact CD1-SD 4.24Å; L344-M348 HydrophobicContact CG-SD 4.39Å; L344-M348 VanDerWaalsContact O-CG 3.31Å; L344-M348 WeakPolarHBondContact O-CG 3.22Å; L344-M348 PolarHBondContact O-N 3.19Å; L344-M348 VanDerWaalsContact O-N 3.08Å; V345-M348 PolarHBondContact O-N 3.3Å; K346-M348 VanDerWaalsContact C-N 3.26Å; K346-M348 PolarHBondContact O-N 2.87Å; M348-E351 PolarHBondContact O-N 2.86Å; M348-D352 PolarHBondContact O-N 2.94Å
349	V	98.5	Very high	96.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-45.1	177.5	178.5	0	0	0	0	110.9	T214 V218 A278 V282 V345 K346 E351 D352 M353	T214-V349 HydrophobicContact CG2-CG2 3.71Å; V218-V349 HydrophobicContact CG1-CG1 3.82Å; A278-V349 HydrophobicContact CB-CG2 3.95Å; V282-V349 HydrophobicContact CG1-CG1 3.67Å; V345-V349 HydrophobicContact CG1-CG2 4.45Å; V345-V349 WeakPolarHBondContact O-CG2 3.37Å; V345-V349 PolarHBondContact O-N 2.8Å; K346-V349 PolarHBondContact O-N 3.35Å; V349-E351 VanDerWaalsContact C-N 3.33Å; V349-E351 PolarHBondContact O-N 3.29Å; V349-D352 PolarHBondContact O-N 2.75Å; V349-M353 WeakPolarHBondContact O-CB 3.48Å; V349-M353 PolarHBondContact O-N 3.43Å
350	D	98.3	Very high	95.1	Very high	69 Å²	69	55 Å²	55	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-43.2	-179.8	-74.1	-21.8	0	0	0	111.8	H281 K346 M353 K354	H281-D350 IonicContact CD2-OD1 3.77Å; H281-D350 IonicContact CE1-OD1 3.3Å; H281-D350 IonicContact NE2-OD1 3.74Å; H281-D350 PolarHBondContact NE2-OD1 2.83Å; H281-D350 IonicContact NE2-OD2 2.82Å; K346-D350 WeakPolarHBondContact O-CB 3.48Å; K346-D350 VanDerWaalsContact O-CG 3.24Å; K346-D350 PolarHBondContact O-N 3.04Å; D350-M353 PolarHBondContact O-N 2.98Å; D350-K354 WeakPolarHBondContact O-CG 3.47Å; D350-K354 PolarHBondContact O-N 3.46Å
351	E	97.4	Very high	93.5	Very high	64 Å²	64	53.9 Å²	53.9	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-72.3	-38.2	179.4	-169.3	63.1	-165.4	0	0	112.1	P202 L347 M348 V349 M353 K354 L355	P202-E351 HydrophobicContact CB-CB 3.6Å; P202-E351 HydrophobicContact CB-CG 3.48Å; P202-E351 VanDerWaalsContact CB-CG 3.48Å; P202-E351 HydrophobicContact CG-CB 3.82Å; P202-E351 HydrophobicContact CG-CG 4.12Å; L347-E351 WeakPolarHBondContact O-CB 3.43Å; L347-E351 PolarHBondContact O-N 3.03Å; M348-E351 PolarHBondContact O-N 2.86Å; V349-E351 VanDerWaalsContact C-N 3.33Å; V349-E351 PolarHBondContact O-N 3.29Å; E351-M353 VanDerWaalsContact C-N 3.28Å; E351-M353 PolarHBondContact O-N 2.87Å; E351-K354 PolarHBondContact O-N 3.48Å; E351-K354 IonicContact OE2-NZ 3.61Å; E351-L355 HydrophobicContact CG-CD1 4.29Å; E351-L355 HydrophobicContact CG-CG 4.48Å; E351-L355 WeakPolarHBondContact O-CB 3.41Å; E351-L355 VanDerWaalsContact O-CG 3.25Å; E351-L355 WeakPolarHBondContact O-CG 3.31Å; E351-L355 PolarHBondContact O-N 2.89Å
352	D	97.5	Very high	91.3	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.011	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-33.8	173.5	-82.2	-39.2	0	0	0	112	R211 T214 R215 V218 M348 V349 L356	R211-D352 WeakPolarHBondContact CD-OD2 3.32Å; R211-D352 IonicContact CZ-OD1 2.89Å; R211-D352 VanDerWaalsContact CZ-OD1 3.26Å; R211-D352 IonicContact CZ-OD2 3.26Å; R211-D352 IonicContact NE-OD1 3.9Å; R211-D352 PolarHBondContact NE-OD1 3.42Å; R211-D352 IonicContact NE-OD2 3.76Å; R211-D352 PolarHBondContact NE-OD2 3Å; R211-D352 IonicContact NH2-OD1 3.37Å; R211-D352 PolarHBondContact NH2-OD1 3.41Å; T214-D352 WeakPolarHBondContact CB-OD2 3.36Å; T214-D352 PolarHBondContact OG1-OD2 2.82Å; T214-D352 VanDerWaalsContact OG1-OD2 3.12Å; R215-D352 HydrophobicContact CG-CB 4.44Å; R215-D352 VanDerWaalsContact CG-CG 3.49Å; R215-D352 WeakPolarHBondContact CG-OD1 3.4Å; R215-D352 VanDerWaalsContact CG-OD2 3.31Å; R215-D352 WeakPolarHBondContact CG-OD2 3.33Å; R215-D352 PolarHBondContact N-OD2 3.27Å; R215-D352 IonicContact NH1-OD1 3.08Å; V218-D352 HydrophobicContact CG1-CB 4.22Å; V218-D352 HydrophobicContact CG2-CB 3.96Å; M348-D352 PolarHBondContact O-N 2.94Å; V349-D352 PolarHBondContact O-N 2.75Å; D352-L356 WeakPolarHBondContact O-CB 3.28Å; D352-L356 PolarHBondContact O-N 3.17Å
353	M	96.7	Very high	88.7	Confident	35 Å²	35	61.6 Å²	61.6	17%	0.172	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-49.3	172.1	-172.6	66.2	78.2	0	0	110.9	V218 K221 K222 V282 V349 D350 E351 L355 L356 E357	V218-M353 HydrophobicContact CB-CE 4.11Å; V218-M353 HydrophobicContact CB-SD 4.31Å; V218-M353 HydrophobicContact CG1-CB 4.06Å; V218-M353 HydrophobicContact CG1-CE 4.03Å; K221-M353 HydrophobicContact CG-CE 4.46Å; K222-M353 WeakPolarHBondContact CE-SD 3.32Å; K222-M353 HydrophobicContact CG-SD 4.49Å; V282-M353 HydrophobicContact CG1-CE 4.17Å; V349-M353 WeakPolarHBondContact O-CB 3.48Å; V349-M353 PolarHBondContact O-N 3.43Å; D350-M353 PolarHBondContact O-N 2.98Å; E351-M353 VanDerWaalsContact C-N 3.28Å; E351-M353 PolarHBondContact O-N 2.87Å; M353-L355 VanDerWaalsContact C-N 3.34Å; M353-L355 PolarHBondContact O-N 3.27Å; M353-L356 PolarHBondContact O-N 3.37Å; M353-E357 WeakPolarHBondContact O-CG 3.38Å; M353-E357 PolarHBondContact O-N 2.91Å
354	K	96.1	Very high	88.2	Confident	124 Å²	124	58.9 Å²	58.9	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-43.2	176.2	-71.3	170.5	-168.7	166.6	0	112.2	D350 E351 E357 S358	D350-K354 WeakPolarHBondContact O-CG 3.47Å; D350-K354 PolarHBondContact O-N 3.46Å; E351-K354 PolarHBondContact O-N 3.48Å; E351-K354 IonicContact OE2-NZ 3.61Å; K354-E357 PolarHBondContact O-N 3.41Å; K354-S358 WeakPolarHBondContact O-CB 3.31Å; K354-S358 PolarHBondContact O-N 3.32Å; K354-S358 PolarHBondContact O-OG 2.78Å
355	L	93.5	Very high	87.7	Confident	39 Å²	39	62 Å²	62	20%	0.204	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-43	178.4	-74.5	170.5	0	0	0	111.4	E351 M353 S358 G359 K360	E351-L355 HydrophobicContact CG-CD1 4.29Å; E351-L355 HydrophobicContact CG-CG 4.48Å; E351-L355 WeakPolarHBondContact O-CB 3.41Å; E351-L355 VanDerWaalsContact O-CG 3.25Å; E351-L355 WeakPolarHBondContact O-CG 3.31Å; E351-L355 PolarHBondContact O-N 2.89Å; M353-L355 VanDerWaalsContact C-N 3.34Å; M353-L355 PolarHBondContact O-N 3.27Å; L355-S358 PolarHBondContact O-N 2.87Å; L355-S358 PolarHBondContact O-OG 2.8Å; L355-G359 PolarHBondContact O-N 2.63Å; L355-K360 HydrophobicContact CD2-CB 4.44Å; L355-K360 PolarHBondContact O-N 2.78Å
356	L	92.9	Very high	87.1	Confident	20 Å²	20	65.4 Å²	65.4	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-63	-46.8	175.9	-174.5	63	0	0	0	111.7	V218 R219 K222 L224 D352 M353 S358 G359	V218-L356 HydrophobicContact CB-CD2 4.38Å; V218-L356 HydrophobicContact CG2-CD2 4.12Å; R219-L356 HydrophobicContact CG-CD2 4.39Å; K222-L356 HydrophobicContact CB-CD2 4.19Å; K222-L356 HydrophobicContact CG-CD2 3.75Å; L224-L356 HydrophobicContact CD1-CD1 3.77Å; L224-L356 HydrophobicContact CD1-CD2 4.09Å; L224-L356 HydrophobicContact CD1-CG 4.33Å; D352-L356 WeakPolarHBondContact O-CB 3.28Å; D352-L356 PolarHBondContact O-N 3.17Å; M353-L356 PolarHBondContact O-N 3.37Å; L356-S358 VanDerWaalsContact C-N 3.31Å; L356-S358 PolarHBondContact O-N 3.21Å; L356-G359 PolarHBondContact O-N 2.92Å; L356-G359 VanDerWaalsContact O-N 3.16Å
357	E	92.6	Very high	86.4	Confident	123 Å²	123	64.2 Å²	64.2	58%	0.575	35%	0.354	S	S	*	.	H	α-helix	trans	-68.1	-29.2	-179.9	-70.3	178.9	163.9	0	0	113.2	K222 M353 K354 G359	K222-E357 IonicContact NZ-OE1 3.26Å; K222-E357 PolarHBondContact NZ-OE1 3.3Å; M353-E357 WeakPolarHBondContact O-CG 3.38Å; M353-E357 PolarHBondContact O-N 2.91Å; K354-E357 PolarHBondContact O-N 3.41Å; E357-G359 PolarHBondContact O-N 2.87Å
358	S	91.8	Very high	85.7	Confident	63 Å²	63	64.1 Å²	64.1	44%	0.441	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.9	174.6	73.5	0	0	0	0	114.4	K354 L355 L356 K360	K354-S358 WeakPolarHBondContact O-CB 3.31Å; K354-S358 PolarHBondContact O-N 3.32Å; K354-S358 PolarHBondContact O-OG 2.78Å; L355-S358 PolarHBondContact O-N 2.87Å; L355-S358 PolarHBondContact O-OG 2.8Å; L356-S358 VanDerWaalsContact C-N 3.31Å; L356-S358 PolarHBondContact O-N 3.21Å; S358-K360 PolarHBondContact O-N 3.06Å; S358-K360 WeakPolarHBondContact OG-CB 3.42Å; S358-K360 WeakPolarHBondContact OG-CG 3.36Å; S358-K360 PolarHBondContact OG-N 2.95Å
359	G	83.9	Confident	84.8	Confident	61 Å²	61	68.3 Å²	68.3	63%	0.629	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	7.9	-175.2	0	0	0	0	0	114.7	L355 L356 E357 T361	L355-G359 PolarHBondContact O-N 2.63Å; L356-G359 PolarHBondContact O-N 2.92Å; L356-G359 VanDerWaalsContact O-N 3.16Å; E357-G359 PolarHBondContact O-N 2.87Å; G359-T361 VanDerWaalsContact C-N 3.28Å
360	K	73.3	Confident	83.8	Confident	167 Å²	167	73.1 Å²	73.1	73%	0.726	41%	0.405	S	S	*	.			trans	-76.8	-16.1	178.7	-70.7	179	-178.3	173.8	0	113.3	L355 S358	L355-K360 HydrophobicContact CD2-CB 4.44Å; L355-K360 PolarHBondContact O-N 2.78Å; S358-K360 PolarHBondContact O-N 3.06Å; S358-K360 WeakPolarHBondContact OG-CB 3.42Å; S358-K360 WeakPolarHBondContact OG-CG 3.36Å; S358-K360 PolarHBondContact OG-N 2.95Å
361	T	64.2	Low	82.7	Confident	13 Å²	13	73.4 Å²	73.4	8%	0.08	41%	0.408	C	S	.	.	S	Bend	trans	-92.8	126	171.5	-50.7	0	0	0	0	108.7	R215 G359 V363	R215-T361 VanDerWaalsContact NH2-CG2 3.26Å; G359-T361 VanDerWaalsContact C-N 3.28Å; T361-V363 PolarHBondContact O-N 2.77Å
362	P	52.3	Low	81.5	Confident	106 Å²	106	74.2 Å²	74.2	69%	0.688	42%	0.417	S	S	*	.			trans	-53.9	129.7	168.1	-21.1	31.4	0	0	0	109.5	R219	R219-P362 PolarHBondContact NH1-O 3.14Å
363	V	43.3	Very low	80.1	Confident	137 Å²	137	80.7 Å²	80.7	83%	0.83	45%	0.454	S	S	*	.			trans	-59.1	0	172	-176.7	0	0	0	0	109.6	R219 L224 T361	R219-V363 PolarHBondContact NH1-OXT 3.22Å; R219-V363 PolarHBondContact NH2-OXT 3.34Å; L224-V363 HydrophobicContact CD1-CG1 4.47Å; L224-V363 HydrophobicContact CD2-CG1 4.07Å; T361-V363 PolarHBondContact O-N 2.77Å

Retrieved 363 of 363 residues in 85.1 ms (Link to these results)

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