A0A2K5YK57_MANLE Loading...

Alpha-galactosidase

Removes terminal alpha-N-acetylgalactosamine residues from glycolipids and glycopeptides. Required for the breakdown of glycolipids.

AlphaFold DB , UniProt , Accession A0A2K5YK57, Species MANLE (Mandrillus leucophaeus, Drill), Gene NAGA, Length 411 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	39.2	Very low	245 Å²	245	158.2 Å²	158.2	100%	1.207	84%	0.844	S	S	*	*				0	98.8	0	-76.5	164.8	73.7	0	0	107.9
2	L	35.8	Very low	39.2	Very low	181 Å²	181	155.6 Å²	155.6	95%	0.948	84%	0.837	S	S	*	*			trans	-96.6	116	169.9	-104.1	91.1	0	0	0	108
3	L	36.8	Very low	39.2	Very low	162 Å²	162	150.5 Å²	150.5	85%	0.848	83%	0.83	S	S	*	*			trans	-84	114.7	176.5	-154.2	75.2	0	0	0	108.2
4	K	40.2	Very low	39.2	Very low	201 Å²	201	152.1 Å²	152.1	87%	0.874	83%	0.828	S	S	*	*			trans	-83.9	113.1	170.7	-81.5	-175.6	174	-176.8	0	108.8
5	T	40.8	Very low	39.5	Very low	119 Å²	119	149.7 Å²	149.7	73%	0.73	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-86	116.2	168	-45.1	0	0	0	0	108.4
6	V	41.8	Very low	40.1	Very low	121 Å²	121	148.1 Å²	148.1	73%	0.733	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-94.9	116.5	171.3	176.4	0	0	0	0	107.4
7	L	38.4	Very low	40.9	Very low	146 Å²	146	146.5 Å²	146.5	76%	0.764	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-79.1	117.8	169.5	-108.3	90.3	0	0	0	109	L9	L7-L9 PolarHBondContact O-N 3.22Å
8	L	40.1	Very low	42.1	Very low	164 Å²	164	139.6 Å²	139.6	86%	0.859	76%	0.759	S	S	*	*			trans	-78.7	108.9	165.5	-125.6	83.9	0	0	0	108.1	G10	L8-G10 PolarHBondContact O-N 3.12Å
9	L	43.8	Very low	43.9	Very low	150 Å²	150	139.8 Å²	139.8	79%	0.785	76%	0.76	S	S	*	*			trans	-77.6	101.1	166.5	-93.7	126.7	0	0	0	108.6	L7 H11	L7-L9 PolarHBondContact O-N 3.22Å; L9-H11 PolarHBondContact O-N 2.78Å
10	G	36.9	Very low	46.1	Very low	65 Å²	65	134.6 Å²	134.6	67%	0.67	73%	0.731	S	S	*	*			trans	-64.6	120	168.8	0	0	0	0	0	110.1	L8 V12	L8-G10 PolarHBondContact O-N 3.12Å; G10-V12 PolarHBondContact O-N 2.97Å; G10-V12 VanDerWaalsContact O-N 3.12Å
11	H	37.8	Very low	48.4	Very low	186 Å²	186	130.5 Å²	130.5	86%	0.861	72%	0.721	S	S	*	*			trans	-69.4	102.9	166.2	-79	16.9	0	0	0	108.3	L9 A13	L9-H11 PolarHBondContact O-N 2.78Å; H11-A13 PolarHBondContact O-N 3.44Å
12	V	39.3	Very low	51.2	Low	127 Å²	127	120.5 Å²	120.5	77%	0.77	67%	0.672	S	S	*	*			trans	-71.3	108.1	163.4	-176.4	0	0	0	0	105.7	G10 Q14	G10-V12 PolarHBondContact O-N 2.97Å; G10-V12 VanDerWaalsContact O-N 3.12Å; V12-Q14 PolarHBondContact O-N 3.31Å
13	A	39	Very low	54.2	Low	89 Å²	89	112.7 Å²	112.7	74%	0.736	63%	0.631	S	S	*	*			trans	-62.2	103.2	169.2	0	0	0	0	0	107.4	H11 V15	H11-A13 PolarHBondContact O-N 3.44Å; A13-V15 PolarHBondContact O-N 3.02Å
14	Q	39.3	Very low	57.2	Low	173 Å²	173	109.5 Å²	109.5	81%	0.808	61%	0.612	S	S	*	*			trans	-63.6	116.6	167.5	-73.8	-177.3	-58.4	0	0	106.7	V12 L16	V12-Q14 PolarHBondContact O-N 3.31Å; Q14-L16 PolarHBondContact O-N 2.92Å
15	V	43.5	Very low	59.9	Low	117 Å²	117	102 Å²	102	71%	0.709	58%	0.583	S	S	*	*			trans	-62.6	109.5	169.8	-178.6	0	0	0	0	105.9	A13 M17	A13-V15 PolarHBondContact O-N 3.02Å; V15-M17 PolarHBondContact O-N 3.05Å; V15-M17 VanDerWaalsContact O-N 3.15Å
16	L	50	Low	62.7	Low	124 Å²	124	96.4 Å²	96.4	65%	0.649	55%	0.548	S	S	*	.			trans	-71.2	107.4	175.7	-76	156.5	0	0	0	107.4	Q14 N177	Q14-L16 PolarHBondContact O-N 2.92Å; L16-N177 WeakPolarHBondContact CB-ND2 3.29Å
17	M	53.8	Low	65.4	Low	120 Å²	120	90.8 Å²	90.8	59%	0.591	51%	0.514	S	S	*	.			trans	-71.1	157.5	179.4	-59.9	174.9	-167.4	0	0	111	V15 D19	V15-M17 PolarHBondContact O-N 3.05Å; V15-M17 VanDerWaalsContact O-N 3.15Å; M17-D19 PolarHBondContact O-N 2.89Å
18	L	61.3	Low	68.3	Low	22 Å²	22	84 Å²	84	12%	0.115	48%	0.479	C	S	.	.	S	Bend	trans	-75.3	32.2	179.5	-164.2	82.9	0	0	0	113.6	N20 F185 D207 I208 C209 N210	L18-N20 HydrophobicContact CD1-CB 4.45Å; L18-N20 WeakPolarHBondContact CD1-ND2 3.34Å; L18-N20 HydrophobicContact CG-CB 4.44Å; L18-N20 PolarHBondContact O-N 2.62Å; L18-F185 HydrophobicContact CD1-CB 4.43Å; L18-F185 HydrophobicContact CD2-CB 4.47Å; L18-D207 WeakPolarHBondContact CB-O 3.47Å; L18-D207 PolarHBondContact N-O 3.13Å; L18-I208 VanDerWaalsContact CD2-C 3.43Å; L18-I208 WeakPolarHBondContact CD2-O 3.39Å; L18-C209 VanDerWaalsContact CD2-N 3.29Å; L18-N210 HydrophobicContact CD2-CB 4.24Å
19	D	75.8	Confident	71.1	Confident	145 Å²	145	76.2 Å²	76.2	78%	0.775	44%	0.438	S	S	*	.			trans	-72.2	68.5	163.2	-172.8	14	0	0	0	108.8	M17	M17-D19 PolarHBondContact O-N 2.89Å
20	N	89.4	Confident	73.7	Confident	34 Å²	34	69.1 Å²	69.1	18%	0.182	40%	0.401	C	S	.	.			trans	-94.7	4.4	-170.5	68.9	-0	0	0	0	112.6	L18 L22 N210	L18-N20 HydrophobicContact CD1-CB 4.45Å; L18-N20 WeakPolarHBondContact CD1-ND2 3.34Å; L18-N20 HydrophobicContact CG-CB 4.44Å; L18-N20 PolarHBondContact O-N 2.62Å; N20-L22 PolarHBondContact O-N 2.75Å; N20-L22 WeakPolarHBondContact OD1-CB 3.48Å; N20-L22 PolarHBondContact OD1-N 3.45Å; N20-L22 VanDerWaalsContact OD1-N 3.14Å; N20-N210 PolarHBondContact ND2-OD1 3.43Å; N20-N210 PolarHBondContact OD1-ND2 3Å
21	G	94.4	Very high	76.7	Confident	50 Å²	50	66.5 Å²	66.5	52%	0.515	37%	0.371	S	S	.	.	S	Bend	trans	70.7	6.7	179.1	0	0	0	0	0	115.4
22	L	98	Very high	79.6	Confident	35 Å²	35	57.7 Å²	57.7	18%	0.183	33%	0.331	C	S	.	.			trans	-98.2	159.2	-179.2	-60.7	-178.6	0	0	0	112.2	N20 Q24 P182 A184	N20-L22 PolarHBondContact O-N 2.75Å; N20-L22 WeakPolarHBondContact OD1-CB 3.48Å; N20-L22 PolarHBondContact OD1-N 3.45Å; N20-L22 VanDerWaalsContact OD1-N 3.14Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-Q24 PolarHBondContact O-N 2.88Å; L22-P182 HydrophobicContact CD1-CB 3.8Å; L22-P182 HydrophobicContact CD2-CB 4.11Å; L22-P182 HydrophobicContact CG-CB 4.08Å; L22-A184 HydrophobicContact CD1-CB 4.12Å
23	L	98.3	Very high	82.4	Confident	17 Å²	17	52.9 Å²	52.9	9%	0.089	30%	0.299	C	S	.	.			trans	53.5	42.9	171.8	-54.6	-169.2	0	0	0	114	T25 P27 Y74 A184 N210 L211 G246 W248	L23-T25 CarbonylContact C-O 3.56Å; L23-T25 VanDerWaalsContact C-O 3.25Å; L23-T25 WeakPolarHBondContact CA-O 3.41Å; L23-T25 PolarHBondContact O-N 2.91Å; L23-T25 VanDerWaalsContact O-N 3.15Å; L23-P27 HydrophobicContact CD1-CB 4Å; L23-P27 HydrophobicContact CD1-CG 3.84Å; L23-P27 HydrophobicContact CD2-CB 3.79Å; L23-P27 HydrophobicContact CD2-CG 4.43Å; L23-Y74 HydrophobicContact CD2-CE2 3.8Å; L23-A184 HydrophobicContact CD1-CB 3.78Å; L23-A184 HydrophobicContact CG-CB 4.09Å; L23-N210 HydrophobicContact CB-CB 4.4Å; L23-N210 HydrophobicContact CD1-CB 3.73Å; L23-N210 HydrophobicContact CG-CB 4.35Å; L23-L211 HydrophobicContact CD1-CD2 3.83Å; L23-G246 VanDerWaalsContact O-CA 3.3Å; L23-G246 WeakPolarHBondContact O-CA 3.36Å; L23-G246 PolarHBondContact O-N 2.7Å; L23-W248 PolarHBondContact O-NE1 3.02Å
24	Q	98.6	Very high	85.3	Confident	95 Å²	95	49.2 Å²	49.2	44%	0.444	27%	0.267	S	S	.	.	S	Bend	trans	-63.2	-15.5	171	-58.8	-63.3	34.7	0	0	113.3	L22 P245	L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-Q24 PolarHBondContact O-N 2.88Å; Q24-P245 HydrophobicContact CB-CB 4.47Å; Q24-P245 WeakPolarHBondContact O-CB 3.33Å; Q24-P245 VanDerWaalsContact OE1-C 3.31Å
25	T	98.8	Very high	88.1	Confident	43 Å²	43	44.1 Å²	44.1	26%	0.264	24%	0.24	S	C	.	.	S	Bend	trans	-123.8	160.1	162	54.7	0	0	0	0	109	L23 W248 Q307	L23-T25 CarbonylContact C-O 3.56Å; L23-T25 VanDerWaalsContact C-O 3.25Å; L23-T25 WeakPolarHBondContact CA-O 3.41Å; L23-T25 PolarHBondContact O-N 2.91Å; L23-T25 VanDerWaalsContact O-N 3.15Å; T25-W248 VanDerWaalsContact C-CZ2 3.4Å; T25-W248 VanDerWaalsContact CA-CZ2 3.47Å; T25-Q307 HydrophobicContact CG2-CB 4.42Å; T25-Q307 WeakPolarHBondContact CG2-O 3.16Å; T25-Q307 PolarHBondContact OG1-OE1 3.31Å
26	P	98.9	Very high	90.8	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.208	C	C	.	.			trans	-55.9	140.4	179.9	-23.8	33.1	0	0	0	111.3	M28 W248 A277 A278 Q307	P26-M28 PolarHBondContact O-N 3.35Å; P26-W248 HydrophobicContact CB-CD2 4.28Å; P26-W248 HydrophobicContact CG-CD2 3.91Å; P26-W248 HydrophobicContact CG-CE3 3.76Å; P26-W248 HydrophobicContact CG-CH2 3.93Å; P26-W248 HydrophobicContact CG-CZ2 4.07Å; P26-W248 HydrophobicContact CG-CZ3 3.77Å; P26-A277 HydrophobicContact CG-CB 4.44Å; P26-A277 VanDerWaalsContact CG-O 3.29Å; P26-A277 WeakPolarHBondContact CG-O 3.26Å; P26-A278 WeakPolarHBondContact CB-O 3.4Å; P26-Q307 PolarHBondContact O-NE2 3.25Å
27	P	98.9	Very high	93.1	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.019	19%	0.19	C	C	.	.			trans	-64.8	138.5	-179.7	22.7	-28.6	0	0	0	111.1	L23 Y74 L211 P279 L280	L23-P27 HydrophobicContact CD1-CB 4Å; L23-P27 HydrophobicContact CD1-CG 3.84Å; L23-P27 HydrophobicContact CD2-CB 3.79Å; L23-P27 HydrophobicContact CD2-CG 4.43Å; P27-Y74 HydrophobicContact CB-CD2 4.31Å; P27-Y74 HydrophobicContact CB-CE2 4.36Å; P27-L211 HydrophobicContact CG-CD1 3.95Å; P27-L211 HydrophobicContact CG-CD2 4.46Å; P27-P279 HydrophobicContact CG-CB 3.96Å; P27-P279 HydrophobicContact CG-CG 4.07Å; P27-P279 CarbonylContact O-C 3.55Å; P27-P279 WeakPolarHBondContact O-CA 3.28Å; P27-L280 PolarHBondContact O-N 3.33Å
28	M	98.9	Very high	95.2	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.5	172.3	-60.7	179.1	56.6	0	0	109.3	P26 G71 Y72 T73 Y74 L280 I303 Q307	P26-M28 PolarHBondContact O-N 3.35Å; M28-G71 WeakPolarHBondContact CB-O 3.46Å; M28-Y72 HydrophobicContact CB-CD1 4.01Å; M28-Y72 HydrophobicContact CB-CE1 4.43Å; M28-Y72 HydrophobicContact CB-CG 4.37Å; M28-Y72 HydrophobicContact CE-CD1 4.18Å; M28-Y72 HydrophobicContact CE-CD2 3.72Å; M28-Y72 HydrophobicContact CE-CE1 4.01Å; M28-Y72 HydrophobicContact CE-CE2 3.53Å; M28-Y72 HydrophobicContact CE-CG 4.04Å; M28-T73 PolarHBondContact O-N 2.94Å; M28-Y74 PolarHBondContact O-N 3.17Å; M28-L280 HydrophobicContact CE-CD1 4.18Å; M28-L280 HydrophobicContact CG-CB 4.08Å; M28-L280 HydrophobicContact CG-CD1 4.32Å; M28-L280 HydrophobicContact CG-CG 4.46Å; M28-L280 HydrophobicContact SD-CD1 4.4Å; M28-I303 HydrophobicContact CE-CB 4.42Å; M28-I303 HydrophobicContact CE-CD1 4Å; M28-I303 HydrophobicContact CE-CG1 3.83Å; M28-I303 HydrophobicContact CE-CG2 3.76Å; M28-I303 HydrophobicContact SD-CG2 3.87Å; M28-Q307 VanDerWaalsContact SD-CD 3.5Å; M28-Q307 HydrophobicContact SD-CG 3.59Å; M28-Q307 VanDerWaalsContact SD-CG 3.59Å
29	G	98.9	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	-156.5	-177.6	0	0	0	0	0	113.9	Y74 L280 M282	G29-Y74 CarbonylContact C-O 3.53Å; G29-Y74 WeakPolarHBondContact CA-O 3.49Å; G29-L280 PolarHBondContact N-O 3.21Å; G29-M282 PolarHBondContact O-N 2.79Å
30	W	98.9	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.5	179.6	-177.8	100.8	0	0	0	109.8	A32 F36 F55 M58 M62 Y74 L75 N76 M282 T284 L286	W30-A32 VanDerWaalsContact CH2-CA 3.42Å; W30-A32 HydrophobicContact CH2-CB 3.55Å; W30-A32 HydrophobicContact CZ3-CB 3.62Å; W30-F36 HydrophobicContact CH2-CD2 4.06Å; W30-F36 HydrophobicContact CH2-CE2 4.22Å; W30-F36 AromaticContact CZ2-CD2 3.7Å; W30-F36 HydrophobicContact CZ2-CD2 3.7Å; W30-F36 AromaticContact CZ2-CE2 3.48Å; W30-F36 HydrophobicContact CZ2-CE2 3.48Å; W30-F36 VanDerWaalsContact CZ2-CE2 3.48Å; W30-F36 HydrophobicContact CZ2-CZ 4.46Å; W30-F55 HydrophobicContact CH2-CE1 4.42Å; W30-F55 HydrophobicContact CZ3-CD1 4.02Å; W30-F55 AromaticContact CZ3-CE1 3.8Å; W30-F55 HydrophobicContact CZ3-CE1 3.8Å; W30-M58 HydrophobicContact CH2-CG 3.98Å; W30-M58 HydrophobicContact CZ2-CE 4.38Å; W30-M58 HydrophobicContact CZ2-CG 3.71Å; W30-M58 HydrophobicContact CZ2-SD 4.11Å; W30-M62 HydrophobicContact CB-CE 4.42Å; W30-M62 HydrophobicContact CB-SD 3.89Å; W30-Y74 PolarHBondContact N-O 2.86Å; W30-L75 HydrophobicContact CB-CD1 4.35Å; W30-L75 HydrophobicContact CD2-CD1 4.07Å; W30-L75 HydrophobicContact CE3-CD1 3.47Å; W30-L75 VanDerWaalsContact CE3-CD1 3.47Å; W30-L75 HydrophobicContact CE3-CG 4.46Å; W30-L75 HydrophobicContact CG-CD1 4.47Å; W30-L75 HydrophobicContact CZ3-CD1 4.03Å; W30-N76 WeakPolarHBondContact O-CB 3.45Å; W30-N76 PolarHBondContact O-N 2.67Å; W30-M282 CarbonylContact C-O 3.45Å; W30-M282 WeakPolarHBondContact CA-O 3.39Å; W30-M282 HydrophobicContact CB-CE 4.45Å; W30-T284 PolarHBondContact NE1-O 3.26Å; W30-L286 HydrophobicContact CG-CD1 4.42Å
31	L	98.9	Very high	98.5	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.058	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134	-179.1	-165.7	162.8	0	0	0	108.8	W33 N76 D78 M253 L281 M282 S283	L31-W33 VanDerWaalsContact C-N 3.33Å; L31-W33 HydrophobicContact CD2-CB 3.49Å; L31-W33 VanDerWaalsContact CD2-CB 3.49Å; L31-W33 VanDerWaalsContact CD2-N 3.33Å; L31-W33 PolarHBondContact O-N 2.99Å; L31-N76 HydrophobicContact CB-CB 4.15Å; L31-N76 HydrophobicContact CD1-CB 4.37Å; L31-N76 HydrophobicContact CG-CB 3.94Å; L31-D78 HydrophobicContact CD2-CB 3.74Å; L31-D78 WeakPolarHBondContact CD2-OD2 3.49Å; L31-M253 HydrophobicContact CB-CG 4.49Å; L31-M253 HydrophobicContact CB-SD 4.29Å; L31-M253 HydrophobicContact CD2-SD 3.69Å; L31-M253 HydrophobicContact CG-SD 4.4Å; L31-L281 HydrophobicContact CD1-CD1 4.29Å; L31-M282 PolarHBondContact N-O 3.08Å; L31-S283 WeakPolarHBondContact O-CA 3.49Å; L31-S283 WeakPolarHBondContact O-CB 3.47Å; L31-S283 PolarHBondContact O-OG 2.92Å; L31-S283 VanDerWaalsContact O-OG 3.13Å
32	A	98.9	Very high	98.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	15%	0.153	C	C	.	.	S	Bend	trans	-69	-22.2	-169.8	0	0	0	0	0	116.1	W30 F36 I50 F55 N76	W30-A32 VanDerWaalsContact CH2-CA 3.42Å; W30-A32 HydrophobicContact CH2-CB 3.55Å; W30-A32 HydrophobicContact CZ3-CB 3.62Å; A32-F36 WeakPolarHBondContact O-CB 3.43Å; A32-F36 PolarHBondContact O-N 2.8Å; A32-I50 HydrophobicContact CB-CD1 4.16Å; A32-F55 HydrophobicContact CB-CE1 4.04Å; A32-F55 HydrophobicContact CB-CZ 4.11Å; A32-N76 PolarHBondContact N-O 2.81Å
33	W	98.9	Very high	98.7	Very high	26 Å²	26	36.6 Å²	36.6	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-57.1	-156.6	-175.7	-122.5	0	0	0	114.2	L31 R35 R37 C38 D78 D79 M128 M253	L31-W33 VanDerWaalsContact C-N 3.33Å; L31-W33 HydrophobicContact CD2-CB 3.49Å; L31-W33 VanDerWaalsContact CD2-CB 3.49Å; L31-W33 VanDerWaalsContact CD2-N 3.33Å; L31-W33 PolarHBondContact O-N 2.99Å; W33-R35 VanDerWaalsContact C-N 3.29Å; W33-R35 PolarHBondContact O-N 3.41Å; W33-R37 WeakPolarHBondContact O-CA 3.34Å; W33-R37 WeakPolarHBondContact O-CD 3.5Å; W33-R37 WeakPolarHBondContact O-CG 3.48Å; W33-R37 PolarHBondContact O-N 2.87Å; W33-R37 PolarHBondContact O-NE 2.89Å; W33-C38 HydrophobicContact CZ3-CB 4.43Å; W33-D78 HydrophobicContact CB-CB 3.87Å; W33-D78 HydrophobicContact CE3-CB 4.37Å; W33-D79 HydrophobicContact CE3-CB 4.36Å; W33-D79 HydrophobicContact CH2-CB 4.43Å; W33-D79 HydrophobicContact CZ3-CB 3.83Å; W33-M128 HydrophobicContact CH2-CG 3.72Å; W33-M128 HydrophobicContact CH2-SD 4.08Å; W33-M128 HydrophobicContact CZ3-CG 4.24Å; W33-M253 HydrophobicContact CB-CE 4.01Å; W33-M253 HydrophobicContact CB-SD 4.01Å; W33-M253 HydrophobicContact CG-CE 4.29Å
34	E	98.8	Very high	98.7	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-40.5	-169.6	-153.8	-72.1	128.6	0	0	111.8	R37 I218 D220 M253 L255 N258 S283	E34-R37 PolarHBondContact O-NE 2.8Å; E34-R37 IonicContact OE1-CZ 2.77Å; E34-R37 IonicContact OE1-NH2 3.7Å; E34-R37 PolarHBondContact OE1-NH2 2.85Å; E34-I218 HydrophobicContact CG-CG2 4.19Å; E34-D220 WeakPolarHBondContact OE1-CB 3.26Å; E34-D220 PolarHBondContact OE1-N 3.26Å; E34-D220 VanDerWaalsContact OE1-N 3.15Å; E34-M253 HydrophobicContact CB-CE 3.74Å; E34-M253 HydrophobicContact CB-SD 3.85Å; E34-M253 HydrophobicContact CG-CE 4.34Å; E34-L255 VanDerWaalsContact CD-CD2 3.41Å; E34-L255 HydrophobicContact CG-CD2 3.51Å; E34-N258 PolarHBondContact OE2-ND2 3.28Å; E34-S283 WeakPolarHBondContact CA-OG 3.47Å; E34-S283 WeakPolarHBondContact CB-OG 3.11Å; E34-S283 PolarHBondContact N-OG 3.1Å
35	R	98.9	Very high	98.7	Very high	66 Å²	66	41.7 Å²	41.7	25%	0.249	21%	0.209	C	C	.	.	H	α-helix	trans	-89.7	-38.2	-173.4	177.7	63.3	-173.3	85.4	4.1	113.6	W33 S283	W33-R35 VanDerWaalsContact C-N 3.29Å; W33-R35 PolarHBondContact O-N 3.41Å; R35-S283 WeakPolarHBondContact CB-O 3.39Å; R35-S283 PolarHBondContact N-OG 3.25Å
36	F	98.9	Very high	98.7	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.035	22%	0.216	C	C	.	.	H	α-helix	trans	-108.5	-18.8	-171.6	-61.1	-85.9	0	0	0	113.2	W30 A32 N39 N48 I50 L54 M58 D285	W30-F36 HydrophobicContact CH2-CD2 4.06Å; W30-F36 HydrophobicContact CH2-CE2 4.22Å; W30-F36 AromaticContact CZ2-CD2 3.7Å; W30-F36 HydrophobicContact CZ2-CD2 3.7Å; W30-F36 AromaticContact CZ2-CE2 3.48Å; W30-F36 HydrophobicContact CZ2-CE2 3.48Å; W30-F36 VanDerWaalsContact CZ2-CE2 3.48Å; W30-F36 HydrophobicContact CZ2-CZ 4.46Å; A32-F36 WeakPolarHBondContact O-CB 3.43Å; A32-F36 PolarHBondContact O-N 2.8Å; F36-N39 WeakPolarHBondContact O-CB 3.42Å; F36-N39 PolarHBondContact O-N 3.43Å; F36-N48 HydrophobicContact CD1-CB 4.08Å; F36-N48 WeakPolarHBondContact CD1-O 3.42Å; F36-N48 HydrophobicContact CE1-CB 4.19Å; F36-I50 HydrophobicContact CB-CD1 3.72Å; F36-L54 HydrophobicContact CB-CD2 4.21Å; F36-L54 HydrophobicContact CD1-CD1 4.02Å; F36-L54 HydrophobicContact CD1-CD2 3.89Å; F36-L54 HydrophobicContact CD2-CD2 4.44Å; F36-L54 HydrophobicContact CE1-CD1 3.68Å; F36-L54 HydrophobicContact CE1-CD2 4.4Å; F36-L54 HydrophobicContact CG-CD2 3.91Å; F36-L54 HydrophobicContact CZ-CD1 4Å; F36-M58 HydrophobicContact CE1-CE 4.41Å; F36-M58 HydrophobicContact CE2-CE 4.12Å; F36-M58 HydrophobicContact CZ-CE 3.6Å; F36-D285 HydrophobicContact CZ-CB 3.89Å
37	R	98.7	Very high	98.7	Very high	73 Å²	73	48.6 Å²	48.6	28%	0.275	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-140.5	171.9	-57.7	-75.2	174	160.2	6.2	110.9	W33 E34 I50 Q219	W33-R37 WeakPolarHBondContact O-CA 3.34Å; W33-R37 WeakPolarHBondContact O-CD 3.5Å; W33-R37 WeakPolarHBondContact O-CG 3.48Å; W33-R37 PolarHBondContact O-N 2.87Å; W33-R37 PolarHBondContact O-NE 2.89Å; E34-R37 PolarHBondContact O-NE 2.8Å; E34-R37 IonicContact OE1-CZ 2.77Å; E34-R37 IonicContact OE1-NH2 3.7Å; E34-R37 PolarHBondContact OE1-NH2 2.85Å; R37-I50 WeakPolarHBondContact O-CD1 3.48Å; R37-I50 WeakPolarHBondContact O-CG1 3.39Å; R37-Q219 VanDerWaalsContact NH1-OE1 3.07Å
38	C	98.8	Very high	98.7	Very high	29 Å²	29	50.2 Å²	50.2	20%	0.196	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	39.9	176.6	-162.6	0	0	0	0	112.3	W33 I40 C80 M128	W33-C38 HydrophobicContact CZ3-CB 4.43Å; C38-I40 PolarHBondContact O-N 2.81Å; C38-I40 VanDerWaalsContact O-N 3.16Å; C38-C80 HydrophobicContact CB-CB 4.11Å; C38-C80 WeakPolarHBondContact CB-SG 3.25Å; C38-C80 WeakPolarHBondContact SG-CB 3.45Å; C38-C80 CovalentContact SG-SG 2.02Å; C38-C80 PolarHBondContact SG-SG 2.84Å; C38-M128 HydrophobicContact CB-CE 3.8Å; C38-M128 HydrophobicContact CB-CG 4.02Å; C38-M128 HydrophobicContact CB-SD 4.44Å
39	N	98.8	Very high	98.7	Very high	43 Å²	43	50 Å²	50	23%	0.23	25%	0.25	C	C	.	.			trans	-71.9	108.5	175.5	-176.7	5.1	0	0	0	110.1	F36 N41 D45 C49 I50	F36-N39 WeakPolarHBondContact O-CB 3.42Å; F36-N39 PolarHBondContact O-N 3.43Å; N39-N41 PolarHBondContact OD1-N 2.88Å; N39-D45 PolarHBondContact ND2-OD2 3.11Å; N39-C49 CarbonylContact O-C 3.43Å; N39-C49 WeakPolarHBondContact O-CA 3.44Å; N39-I50 PolarHBondContact O-N 3.21Å
40	I	98.8	Very high	98.7	Very high	81 Å²	81	50.2 Å²	50.2	42%	0.415	25%	0.251	S	S	.	.			trans	-111.9	0.5	179.2	63.3	172.8	0	0	0	113.5	C38 C42 C80 Y130	C38-I40 PolarHBondContact O-N 2.81Å; C38-I40 VanDerWaalsContact O-N 3.16Å; I40-C42 VanDerWaalsContact C-N 3.31Å; I40-C42 PolarHBondContact O-N 3.27Å; I40-C80 HydrophobicContact CG2-CB 4.11Å; I40-Y130 WeakPolarHBondContact CG2-OH 3.49Å
41	N	98.5	Very high	98.7	Very high	65 Å²	65	50.6 Å²	50.6	35%	0.348	25%	0.253	S	S	.	.			trans	-83.8	75.3	-176.9	-172.1	-5.8	0	0	0	110.6	N39 D43 E44 D45	N39-N41 PolarHBondContact OD1-N 2.88Å; N41-D43 PolarHBondContact O-N 2.92Å; N41-E44 PolarHBondContact ND2-OE2 3.26Å; N41-E44 PolarHBondContact OD1-N 3.28Å; N41-D45 WeakPolarHBondContact O-CA 3.47Å; N41-D45 PolarHBondContact O-N 3.09Å
42	C	98.4	Very high	98.7	Very high	32 Å²	32	50.9 Å²	50.9	22%	0.216	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.3	179.5	-61.7	0	0	0	0	114	I40 P46 C49	I40-C42 VanDerWaalsContact C-N 3.31Å; I40-C42 PolarHBondContact O-N 3.27Å; C42-P46 VanDerWaalsContact O-CA 3.25Å; C42-P46 WeakPolarHBondContact O-CA 3.49Å; C42-P46 WeakPolarHBondContact O-CB 3.46Å; C42-P46 WeakPolarHBondContact O-CD 3.49Å; C42-C49 WeakPolarHBondContact CA-SG 3.33Å; C42-C49 HydrophobicContact CB-CB 3.96Å; C42-C49 WeakPolarHBondContact CB-SG 3.42Å; C42-C49 WeakPolarHBondContact SG-CB 3.3Å; C42-C49 CovalentContact SG-SG 2.03Å; C42-C49 PolarHBondContact SG-SG 3.46Å
43	D	98.1	Very high	98.7	Very high	158 Å²	158	56.9 Å²	56.9	85%	0.845	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-41.2	177.9	-66.2	-28	0	0	0	110.6	N41	N41-D43 PolarHBondContact O-N 2.92Å
44	E	98.6	Very high	98.7	Very high	165 Å²	165	55.7 Å²	55.7	77%	0.771	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-31.7	178.9	-63	-177.7	166.7	0	0	113.1	N41 P46	N41-E44 PolarHBondContact ND2-OE2 3.26Å; N41-E44 PolarHBondContact OD1-N 3.28Å; E44-P46 VanDerWaalsContact C-CD 3.45Å
45	D	98.6	Very high	98.7	Very high	53 Å²	53	55.1 Å²	55.1	28%	0.283	27%	0.27	S	S	.	.			trans	-129.9	61.2	-178.5	-167.1	10.3	0	0	0	113.1	N39 N41 K47 N48 C49	N39-D45 PolarHBondContact ND2-OD2 3.11Å; N41-D45 WeakPolarHBondContact O-CA 3.47Å; N41-D45 PolarHBondContact O-N 3.09Å; D45-K47 PolarHBondContact O-N 3.44Å; D45-N48 PolarHBondContact O-N 3.01Å; D45-N48 PolarHBondContact OD1-ND2 3.29Å; D45-N48 WeakPolarHBondContact OD2-CB 3.26Å; D45-N48 PolarHBondContact OD2-ND2 3.17Å; D45-C49 PolarHBondContact O-N 3.48Å
46	P	98.3	Very high	98.7	Very high	61 Å²	61	54 Å²	54	40%	0.396	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.8	-173	23.5	-34.3	0	0	0	114.5	C42 E44	C42-P46 VanDerWaalsContact O-CA 3.25Å; C42-P46 WeakPolarHBondContact O-CA 3.49Å; C42-P46 WeakPolarHBondContact O-CB 3.46Å; C42-P46 WeakPolarHBondContact O-CD 3.49Å; E44-P46 VanDerWaalsContact C-CD 3.45Å
47	K	98.5	Very high	98.7	Very high	129 Å²	129	55.5 Å²	55.5	56%	0.561	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-23.3	-178.1	-65.4	-176.1	-176.9	179.5	0	112.5	D45 R287	D45-K47 PolarHBondContact O-N 3.44Å; K47-R287 PolarHBondContact O-NH1 3.03Å; K47-R287 PolarHBondContact O-NH2 3.35Å; K47-R287 VanDerWaalsContact O-NH2 3.15Å
48	N	98.6	Very high	98.7	Very high	37 Å²	37	52 Å²	52	20%	0.198	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-6.1	-173.5	-49.1	-58	0	0	0	113.2	F36 D45 R287	F36-N48 HydrophobicContact CD1-CB 4.08Å; F36-N48 WeakPolarHBondContact CD1-O 3.42Å; F36-N48 HydrophobicContact CE1-CB 4.19Å; D45-N48 PolarHBondContact O-N 3.01Å; D45-N48 PolarHBondContact OD1-ND2 3.29Å; D45-N48 WeakPolarHBondContact OD2-CB 3.26Å; D45-N48 PolarHBondContact OD2-ND2 3.17Å; N48-R287 PolarHBondContact OD1-NH2 3.24Å
49	C	98.9	Very high	98.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	25%	0.252	C	S	.	.	S	Bend	trans	-65.7	147.4	172.6	74.5	0	0	0	0	111.5	N39 C42 D45 S51	N39-C49 CarbonylContact O-C 3.43Å; N39-C49 WeakPolarHBondContact O-CA 3.44Å; C42-C49 WeakPolarHBondContact CA-SG 3.33Å; C42-C49 HydrophobicContact CB-CB 3.96Å; C42-C49 WeakPolarHBondContact CB-SG 3.42Å; C42-C49 WeakPolarHBondContact SG-CB 3.3Å; C42-C49 CovalentContact SG-SG 2.03Å; C42-C49 PolarHBondContact SG-SG 3.46Å; D45-C49 PolarHBondContact O-N 3.48Å; C49-S51 PolarHBondContact O-N 2.69Å; C49-S51 PolarHBondContact O-OG 2.99Å; C49-S51 VanDerWaalsContact O-OG 3.11Å
50	I	98.9	Very high	98.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	25%	0.25	C	S	.	.	S	Bend	trans	-64	101.1	174	-58.1	-55.4	0	0	0	108.7	A32 F36 R37 N39 L54 F55 R97 F98	A32-I50 HydrophobicContact CB-CD1 4.16Å; F36-I50 HydrophobicContact CB-CD1 3.72Å; R37-I50 WeakPolarHBondContact O-CD1 3.48Å; R37-I50 WeakPolarHBondContact O-CG1 3.39Å; N39-I50 PolarHBondContact O-N 3.21Å; I50-L54 HydrophobicContact CD1-CD2 4.04Å; I50-F55 HydrophobicContact CG2-CE2 4.09Å; I50-F55 HydrophobicContact CG2-CZ 4.32Å; I50-R97 WeakPolarHBondContact O-CD 3.34Å; I50-R97 PolarHBondContact O-NH1 2.89Å; I50-F98 HydrophobicContact CG2-CE2 4.42Å; I50-F98 HydrophobicContact CG2-CZ 4.15Å
51	S	98.9	Very high	98.7	Very high	8 Å²	8	49.1 Å²	49.1	6%	0.056	24%	0.241	C	C	.	.	S	Bend	trans	-151.1	158.4	-174.7	59.6	0	0	0	0	110.3	C49 R53 L54 F55 R97	C49-S51 PolarHBondContact O-N 2.69Å; C49-S51 PolarHBondContact O-OG 2.99Å; C49-S51 VanDerWaalsContact O-OG 3.11Å; S51-R53 PolarHBondContact O-N 2.85Å; S51-R53 VanDerWaalsContact O-N 3.13Å; S51-L54 WeakPolarHBondContact O-CB 3.32Å; S51-L54 PolarHBondContact O-N 3.4Å; S51-F55 WeakPolarHBondContact O-CD2 3.23Å; S51-F55 PolarHBondContact O-N 3.36Å; S51-R97 CarbonylContact C-O 3.54Å; S51-R97 WeakPolarHBondContact CA-O 3.48Å; S51-R97 WeakPolarHBondContact CB-O 3.39Å
52	E	98.9	Very high	98.8	Very high	18 Å²	18	46 Å²	46	8%	0.084	22%	0.224	C	C	.	.	H	α-helix	trans	-54.6	-34.6	177.2	67.4	-179.4	-147.8	0	0	111.9	L54 F55 M56 R97 F98 P99 H100	E52-L54 PolarHBondContact O-N 3.36Å; E52-F55 PolarHBondContact O-N 3.12Å; E52-M56 VanDerWaalsContact O-CG 3.27Å; E52-M56 WeakPolarHBondContact O-CG 3.48Å; E52-M56 PolarHBondContact O-N 2.96Å; E52-R97 PolarHBondContact N-O 3.39Å; E52-F98 HydrophobicContact CB-CB 4.5Å; E52-F98 HydrophobicContact CB-CD1 3.71Å; E52-F98 HydrophobicContact CB-CE1 4.33Å; E52-F98 HydrophobicContact CB-CG 4.35Å; E52-F98 VanDerWaalsContact OE2-CA 3.27Å; E52-F98 WeakPolarHBondContact OE2-CA 3.48Å; E52-P99 WeakPolarHBondContact OE1-CG 3.38Å; E52-P99 WeakPolarHBondContact OE2-CD 3.48Å; E52-P99 VanDerWaalsContact OE2-N 3.12Å; E52-H100 IonicContact OE1-CE1 3.22Å; E52-H100 PolarHBondContact OE1-CE1 2.9Å; E52-H100 IonicContact OE1-CG 3.65Å; E52-H100 IonicContact OE1-ND1 3.51Å; E52-H100 PolarHBondContact OE1-ND1 2.87Å; E52-H100 IonicContact OE2-CG 3.41Å; E52-H100 PolarHBondContact OE2-N 3.29Å; E52-H100 IonicContact OE2-ND1 2.9Å
53	R	98.9	Very high	98.8	Very high	126 Å²	126	45.1 Å²	45.1	48%	0.475	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-44.9	177	179.1	-175.8	171.3	158.8	5.2	111.7	S51 F55 M56 E57	S51-R53 PolarHBondContact O-N 2.85Å; S51-R53 VanDerWaalsContact O-N 3.13Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 2.88Å; R53-M56 PolarHBondContact O-N 2.79Å; R53-E57 HydrophobicContact CG-CG 4.42Å; R53-E57 IonicContact CZ-OE1 2.83Å; R53-E57 VanDerWaalsContact CZ-OE1 3.32Å; R53-E57 IonicContact NE-OE1 3.28Å; R53-E57 PolarHBondContact NE-OE1 2.87Å; R53-E57 IonicContact NH2-OE1 3.44Å; R53-E57 PolarHBondContact NH2-OE1 3.4Å; R53-E57 WeakPolarHBondContact O-CB 3.22Å; R53-E57 WeakPolarHBondContact O-CG 3.41Å; R53-E57 PolarHBondContact O-N 3.33Å
54	L	98.9	Very high	98.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-48.5	177.6	177.5	66	0	0	0	110.2	F36 I50 S51 E52 E57 M58	F36-L54 HydrophobicContact CB-CD2 4.21Å; F36-L54 HydrophobicContact CD1-CD1 4.02Å; F36-L54 HydrophobicContact CD1-CD2 3.89Å; F36-L54 HydrophobicContact CD2-CD2 4.44Å; F36-L54 HydrophobicContact CE1-CD1 3.68Å; F36-L54 HydrophobicContact CE1-CD2 4.4Å; F36-L54 HydrophobicContact CG-CD2 3.91Å; F36-L54 HydrophobicContact CZ-CD1 4Å; I50-L54 HydrophobicContact CD1-CD2 4.04Å; S51-L54 WeakPolarHBondContact O-CB 3.32Å; S51-L54 PolarHBondContact O-N 3.4Å; E52-L54 PolarHBondContact O-N 3.36Å; L54-E57 PolarHBondContact O-N 3.3Å; L54-M58 HydrophobicContact CD1-CE 3.61Å; L54-M58 HydrophobicContact CD1-CG 4.47Å; L54-M58 VanDerWaalsContact O-CG 3.28Å; L54-M58 WeakPolarHBondContact O-CG 3.36Å; L54-M58 PolarHBondContact O-N 3.49Å
55	F	98.9	Very high	98.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-40.4	-179.2	-64.4	-77	0	0	0	112.4	W30 A32 I50 S51 E52 R53 M58 A59 L75 I77 F98 L105	W30-F55 HydrophobicContact CH2-CE1 4.42Å; W30-F55 HydrophobicContact CZ3-CD1 4.02Å; W30-F55 AromaticContact CZ3-CE1 3.8Å; W30-F55 HydrophobicContact CZ3-CE1 3.8Å; A32-F55 HydrophobicContact CB-CE1 4.04Å; A32-F55 HydrophobicContact CB-CZ 4.11Å; I50-F55 HydrophobicContact CG2-CE2 4.09Å; I50-F55 HydrophobicContact CG2-CZ 4.32Å; S51-F55 WeakPolarHBondContact O-CD2 3.23Å; S51-F55 PolarHBondContact O-N 3.36Å; E52-F55 PolarHBondContact O-N 3.12Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 2.88Å; F55-M58 PolarHBondContact O-N 2.7Å; F55-A59 WeakPolarHBondContact O-CB 3.39Å; F55-A59 PolarHBondContact O-N 3.01Å; F55-L75 HydrophobicContact CB-CD2 4.09Å; F55-L75 HydrophobicContact CD1-CD2 4.43Å; F55-L75 HydrophobicContact CD1-CG 4.35Å; F55-L75 VanDerWaalsContact O-CD2 3.31Å; F55-L75 WeakPolarHBondContact O-CD2 3.36Å; F55-I77 HydrophobicContact CD1-CG1 3.88Å; F55-I77 HydrophobicContact CD2-CG1 4.26Å; F55-I77 HydrophobicContact CE1-CB 4.04Å; F55-I77 HydrophobicContact CE1-CG1 3.55Å; F55-I77 HydrophobicContact CE1-CG2 4.49Å; F55-I77 HydrophobicContact CE2-CG1 4Å; F55-I77 HydrophobicContact CE2-CG2 4.41Å; F55-I77 HydrophobicContact CG-CG1 4.24Å; F55-I77 HydrophobicContact CZ-CB 3.98Å; F55-I77 HydrophobicContact CZ-CG1 3.64Å; F55-I77 HydrophobicContact CZ-CG2 3.93Å; F55-F98 AromaticContact CD2-CE1 3.85Å; F55-F98 HydrophobicContact CD2-CE1 3.85Å; F55-F98 HydrophobicContact CD2-CZ 4.19Å; F55-F98 AromaticContact CE2-CE1 3.91Å; F55-F98 HydrophobicContact CE2-CE1 3.91Å; F55-F98 AromaticContact CE2-CZ 3.78Å; F55-F98 HydrophobicContact CE2-CZ 3.78Å; F55-L105 HydrophobicContact CB-CD1 3.94Å; F55-L105 HydrophobicContact CB-CD2 3.91Å; F55-L105 HydrophobicContact CD2-CD2 4.3Å; F55-L105 HydrophobicContact CG-CD2 4.23Å
56	M	98.9	Very high	98.8	Very high	42 Å²	42	36.4 Å²	36.4	21%	0.207	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-45.2	174.7	-68.4	170.9	68.6	0	0	111.7	E52 R53 M58 A59 D60 F104 L105 Y108	E52-M56 VanDerWaalsContact O-CG 3.27Å; E52-M56 WeakPolarHBondContact O-CG 3.48Å; E52-M56 PolarHBondContact O-N 2.96Å; R53-M56 PolarHBondContact O-N 2.79Å; M56-M58 PolarHBondContact O-N 3.2Å; M56-A59 WeakPolarHBondContact O-CB 3.18Å; M56-A59 PolarHBondContact O-N 3.06Å; M56-D60 VanDerWaalsContact O-CG 3.27Å; M56-D60 PolarHBondContact O-N 3.08Å; M56-F104 HydrophobicContact CE-CE1 4.27Å; M56-F104 HydrophobicContact SD-CE1 4.04Å; M56-L105 HydrophobicContact CG-CD1 3.86Å; M56-Y108 HydrophobicContact CB-CD1 4.21Å; M56-Y108 HydrophobicContact CB-CE1 3.85Å; M56-Y108 HydrophobicContact CE-CD2 4.05Å; M56-Y108 HydrophobicContact CE-CE1 4.35Å; M56-Y108 HydrophobicContact CE-CE2 3.84Å; M56-Y108 HydrophobicContact CE-CG 4.39Å; M56-Y108 HydrophobicContact CG-CD1 3.83Å; M56-Y108 HydrophobicContact CG-CE1 3.97Å; M56-Y108 HydrophobicContact CG-CG 4.31Å
57	E	98.9	Very high	98.9	Very high	39 Å²	39	33.5 Å²	33.5	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-39.9	177.2	-73.5	-179.4	-174.9	0	0	111.6	R53 L54 D60 R61 R287	R53-E57 HydrophobicContact CG-CG 4.42Å; R53-E57 IonicContact CZ-OE1 2.83Å; R53-E57 VanDerWaalsContact CZ-OE1 3.32Å; R53-E57 IonicContact NE-OE1 3.28Å; R53-E57 PolarHBondContact NE-OE1 2.87Å; R53-E57 IonicContact NH2-OE1 3.44Å; R53-E57 PolarHBondContact NH2-OE1 3.4Å; R53-E57 WeakPolarHBondContact O-CB 3.22Å; R53-E57 WeakPolarHBondContact O-CG 3.41Å; R53-E57 PolarHBondContact O-N 3.33Å; L54-E57 PolarHBondContact O-N 3.3Å; E57-D60 PolarHBondContact O-N 3.13Å; E57-R61 VanDerWaalsContact O-CG 3.25Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.35Å; E57-R61 VanDerWaalsContact O-N 3.08Å; E57-R287 WeakPolarHBondContact OE2-CD 3.44Å; E57-R287 IonicContact OE2-CZ 2.71Å; E57-R287 IonicContact OE2-NE 3.88Å; E57-R287 IonicContact OE2-NH1 3.42Å; E57-R287 PolarHBondContact OE2-NH1 2.83Å
58	M	98.9	Very high	98.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.6	-38.8	175	-64.7	-57.8	159.8	0	0	112	W30 F36 L54 F55 M56 D60 R61 M62 L75 D285 L286 R287	W30-M58 HydrophobicContact CH2-CG 3.98Å; W30-M58 HydrophobicContact CZ2-CE 4.38Å; W30-M58 HydrophobicContact CZ2-CG 3.71Å; W30-M58 HydrophobicContact CZ2-SD 4.11Å; F36-M58 HydrophobicContact CE1-CE 4.41Å; F36-M58 HydrophobicContact CE2-CE 4.12Å; F36-M58 HydrophobicContact CZ-CE 3.6Å; L54-M58 HydrophobicContact CD1-CE 3.61Å; L54-M58 HydrophobicContact CD1-CG 4.47Å; L54-M58 VanDerWaalsContact O-CG 3.28Å; L54-M58 WeakPolarHBondContact O-CG 3.36Å; L54-M58 PolarHBondContact O-N 3.49Å; F55-M58 PolarHBondContact O-N 2.7Å; M56-M58 PolarHBondContact O-N 3.2Å; M58-D60 VanDerWaalsContact C-N 3.33Å; M58-D60 PolarHBondContact O-N 3.31Å; M58-R61 PolarHBondContact O-N 3.1Å; M58-M62 WeakPolarHBondContact O-CB 3.31Å; M58-M62 VanDerWaalsContact O-CG 3.27Å; M58-M62 WeakPolarHBondContact O-CG 3.35Å; M58-M62 PolarHBondContact O-N 3.48Å; M58-L75 HydrophobicContact CB-CD1 3.71Å; M58-D285 WeakPolarHBondContact CE-OD1 3.39Å; M58-L286 HydrophobicContact SD-CB 3.82Å; M58-L286 HydrophobicContact SD-CD1 4.35Å; M58-L286 HydrophobicContact SD-CG 4Å; M58-R287 HydrophobicContact CE-CG 4.19Å
59	A	98.9	Very high	98.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-44	174.1	0	0	0	0	0	111.4	F55 M56 R61 M62 A63 L75 Y108 V109 L112 L114	F55-A59 WeakPolarHBondContact O-CB 3.39Å; F55-A59 PolarHBondContact O-N 3.01Å; M56-A59 WeakPolarHBondContact O-CB 3.18Å; M56-A59 PolarHBondContact O-N 3.06Å; A59-R61 PolarHBondContact O-N 3.15Å; A59-M62 PolarHBondContact O-N 2.9Å; A59-A63 WeakPolarHBondContact O-CB 3.46Å; A59-A63 PolarHBondContact O-N 2.95Å; A59-L75 HydrophobicContact CB-CD2 3.88Å; A59-Y108 HydrophobicContact CB-CD1 4.43Å; A59-Y108 HydrophobicContact CB-CE1 4.24Å; A59-V109 HydrophobicContact CB-CG2 4.28Å; A59-L112 HydrophobicContact CB-CD1 3.72Å; A59-L114 HydrophobicContact CB-CD1 4.03Å
60	D	98.9	Very high	98.9	Very high	35 Å²	35	37.1 Å²	37.1	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-47.2	176.6	-70.7	-15.3	0	0	0	111.5	M56 E57 M58 A63 Q64 Y108	M56-D60 VanDerWaalsContact O-CG 3.27Å; M56-D60 PolarHBondContact O-N 3.08Å; E57-D60 PolarHBondContact O-N 3.13Å; M58-D60 VanDerWaalsContact C-N 3.33Å; M58-D60 PolarHBondContact O-N 3.31Å; D60-A63 PolarHBondContact O-N 3.3Å; D60-Q64 VanDerWaalsContact O-CB 3.27Å; D60-Q64 WeakPolarHBondContact O-CB 3.27Å; D60-Q64 WeakPolarHBondContact O-CG 3.27Å; D60-Q64 PolarHBondContact O-N 3.23Å; D60-Y108 PolarHBondContact OD1-OH 3.28Å; D60-Y108 PolarHBondContact OD2-OH 2.96Å
61	R	98.9	Very high	98.9	Very high	57 Å²	57	38.3 Å²	38.3	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-47	176	-62	-73.5	68.9	80.3	1.8	110.5	E57 M58 A59 A63 Q64 D65 L286 R287	E57-R61 VanDerWaalsContact O-CG 3.25Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.35Å; E57-R61 VanDerWaalsContact O-N 3.08Å; M58-R61 PolarHBondContact O-N 3.1Å; A59-R61 PolarHBondContact O-N 3.15Å; R61-A63 VanDerWaalsContact C-N 3.26Å; R61-A63 PolarHBondContact O-N 3.43Å; R61-Q64 PolarHBondContact O-N 2.92Å; R61-D65 WeakPolarHBondContact CB-OD2 3.34Å; R61-D65 WeakPolarHBondContact CD-OD2 3.48Å; R61-D65 IonicContact NE-OD1 2.76Å; R61-D65 IonicContact NE-OD2 3.69Å; R61-D65 PolarHBondContact NE-OD2 3.35Å; R61-D65 VanDerWaalsContact O-CB 3.3Å; R61-D65 WeakPolarHBondContact O-CB 3.24Å; R61-D65 PolarHBondContact O-N 3.18Å; R61-L286 HydrophobicContact CB-CB 3.79Å; R61-L286 HydrophobicContact CB-CD1 4.4Å; R61-L286 HydrophobicContact CG-CB 4.15Å; R61-R287 HydrophobicContact CG-CG 4.05Å
62	M	98.9	Very high	98.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-38.6	178.5	-73.9	178.1	74	0	0	113	W30 M58 A59 W67 R68 Y72 Y74 L75 L114 L286	W30-M62 HydrophobicContact CB-CE 4.42Å; W30-M62 HydrophobicContact CB-SD 3.89Å; M58-M62 WeakPolarHBondContact O-CB 3.31Å; M58-M62 VanDerWaalsContact O-CG 3.27Å; M58-M62 WeakPolarHBondContact O-CG 3.35Å; M58-M62 PolarHBondContact O-N 3.48Å; A59-M62 PolarHBondContact O-N 2.9Å; M62-W67 HydrophobicContact CB-CB 4.23Å; M62-W67 HydrophobicContact CG-CB 4.26Å; M62-W67 PolarHBondContact O-N 3.35Å; M62-R68 WeakPolarHBondContact O-CB 3.46Å; M62-R68 PolarHBondContact O-N 3.28Å; M62-Y72 WeakPolarHBondContact CE-O 3.32Å; M62-Y74 WeakPolarHBondContact CE-O 3.26Å; M62-L75 HydrophobicContact SD-CB 4.22Å; M62-L75 HydrophobicContact SD-CD1 3.75Å; M62-L114 HydrophobicContact CB-CD1 3.79Å; M62-L114 HydrophobicContact CB-CD2 4.23Å; M62-L114 HydrophobicContact CE-CD2 3.95Å; M62-L114 HydrophobicContact SD-CD1 4.49Å; M62-L286 HydrophobicContact CG-CD1 3.58Å; M62-L286 HydrophobicContact SD-CD1 4.46Å
63	A	98.9	Very high	98.9	Very high	14 Å²	14	39 Å²	39	12%	0.116	20%	0.196	C	C	.	.	H	α-helix	trans	-79.7	-29.9	-179.8	0	0	0	0	0	114.2	A59 D60 R61 L112	A59-A63 WeakPolarHBondContact O-CB 3.46Å; A59-A63 PolarHBondContact O-N 2.95Å; D60-A63 PolarHBondContact O-N 3.3Å; R61-A63 VanDerWaalsContact C-N 3.26Å; R61-A63 PolarHBondContact O-N 3.43Å; A63-L112 HydrophobicContact CB-CB 4.05Å; A63-L112 HydrophobicContact CB-CD1 4.31Å; A63-L112 HydrophobicContact CB-CD2 4.18Å; A63-L112 HydrophobicContact CB-CG 4.41Å
64	Q	98.8	Very high	98.9	Very high	124 Å²	124	33.6 Å²	33.6	58%	0.579	18%	0.175	S	C	*	.	H	α-helix	trans	-97.6	-32.2	-172.9	-66.8	170.9	33.1	0	0	113.3	D60 R61	D60-Q64 VanDerWaalsContact O-CB 3.27Å; D60-Q64 WeakPolarHBondContact O-CB 3.27Å; D60-Q64 WeakPolarHBondContact O-CG 3.27Å; D60-Q64 PolarHBondContact O-N 3.23Å; R61-Q64 PolarHBondContact O-N 2.92Å
65	D	98.8	Very high	98.9	Very high	52 Å²	52	33.5 Å²	33.5	28%	0.278	18%	0.175	S	C	.	.	S	Bend	trans	-102.3	23.7	-167.3	-49.8	-21.9	0	0	0	112.2	R61 W67 M294 Q298	R61-D65 WeakPolarHBondContact CB-OD2 3.34Å; R61-D65 WeakPolarHBondContact CD-OD2 3.48Å; R61-D65 IonicContact NE-OD1 2.76Å; R61-D65 IonicContact NE-OD2 3.69Å; R61-D65 PolarHBondContact NE-OD2 3.35Å; R61-D65 VanDerWaalsContact O-CB 3.3Å; R61-D65 WeakPolarHBondContact O-CB 3.24Å; R61-D65 PolarHBondContact O-N 3.18Å; D65-W67 PolarHBondContact O-N 3.02Å; D65-M294 HydrophobicContact CB-CE 4.19Å; D65-Q298 PolarHBondContact O-NE2 3.15Å
66	G	98.7	Very high	98.9	Very high	17 Å²	17	33.7 Å²	33.7	18%	0.175	18%	0.176	C	C	.	.	S	Bend	trans	85.1	-9.3	173.8	0	0	0	0	0	116.3	R68 D69 M70	G66-R68 PolarHBondContact O-N 3.32Å; G66-D69 PolarHBondContact O-N 2.79Å; G66-M70 WeakPolarHBondContact O-CB 3.5Å; G66-M70 VanDerWaalsContact O-CG 3.28Å; G66-M70 WeakPolarHBondContact O-CG 3.45Å; G66-M70 PolarHBondContact O-N 3.28Å
67	W	98.9	Very high	98.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-50.2	-175.2	-55.5	100	0	0	0	113.4	M62 D65 D69 M70 G71 Y72 M282 L286 I289 M294 L297 Q298	M62-W67 HydrophobicContact CB-CB 4.23Å; M62-W67 HydrophobicContact CG-CB 4.26Å; M62-W67 PolarHBondContact O-N 3.35Å; D65-W67 PolarHBondContact O-N 3.02Å; W67-D69 VanDerWaalsContact C-N 3.31Å; W67-D69 PolarHBondContact O-N 2.94Å; W67-M70 PolarHBondContact O-N 2.84Å; W67-G71 PolarHBondContact O-N 3.28Å; W67-Y72 HydrophobicContact CB-CD2 4.49Å; W67-Y72 AromaticContact CE3-CD2 3.92Å; W67-Y72 HydrophobicContact CE3-CD2 3.92Å; W67-Y72 HydrophobicContact CE3-CE2 4.08Å; W67-Y72 HydrophobicContact CE3-CG 4.44Å; W67-Y72 HydrophobicContact CZ3-CE2 4.4Å; W67-Y72 WeakPolarHBondContact O-CB 3.47Å; W67-Y72 PolarHBondContact O-N 3.18Å; W67-M282 HydrophobicContact CD2-CE 4.11Å; W67-M282 HydrophobicContact CE3-CE 3.73Å; W67-M282 HydrophobicContact CE3-SD 3.76Å; W67-M282 HydrophobicContact CH2-SD 4.1Å; W67-M282 HydrophobicContact CZ3-CE 4.14Å; W67-M282 HydrophobicContact CZ3-SD 3.52Å; W67-M282 VanDerWaalsContact CZ3-SD 3.52Å; W67-L286 HydrophobicContact CZ2-CD2 3.96Å; W67-I289 HydrophobicContact CH2-CD1 3.95Å; W67-I289 HydrophobicContact CZ2-CD1 4.09Å; W67-I289 HydrophobicContact CZ2-CG2 4.15Å; W67-M294 HydrophobicContact CH2-CB 4.22Å; W67-M294 HydrophobicContact CH2-CG 3.85Å; W67-M294 HydrophobicContact CZ2-CB 4.36Å; W67-M294 HydrophobicContact CZ2-CE 3.62Å; W67-M294 HydrophobicContact CZ2-CG 3.82Å; W67-M294 HydrophobicContact CZ2-SD 4.48Å; W67-L297 HydrophobicContact CH2-CB 4Å; W67-L297 HydrophobicContact CH2-CD1 3.99Å; W67-L297 HydrophobicContact CZ3-CB 3.6Å; W67-L297 HydrophobicContact CZ3-CD1 4.19Å; W67-Q298 HydrophobicContact CD2-CG 4.47Å; W67-Q298 HydrophobicContact CE3-CG 3.72Å; W67-Q298 VanDerWaalsContact CE3-NE2 3.34Å; W67-Q298 HydrophobicContact CH2-CG 4.08Å; W67-Q298 HydrophobicContact CZ3-CG 3.48Å; W67-Q298 VanDerWaalsContact CZ3-CG 3.48Å
68	R	98.8	Very high	98.9	Very high	79 Å²	79	30.1 Å²	30.1	30%	0.298	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-45.4	177.5	-177.8	-163.7	65.4	-153	-9.4	111.2	M62 G66 M70 G71 Y72 L112 L114	M62-R68 WeakPolarHBondContact O-CB 3.46Å; M62-R68 PolarHBondContact O-N 3.28Å; G66-R68 PolarHBondContact O-N 3.32Å; R68-M70 PolarHBondContact O-N 3.11Å; R68-G71 WeakPolarHBondContact O-CA 3.16Å; R68-G71 PolarHBondContact O-N 2.9Å; R68-Y72 WeakPolarHBondContact CA-O 3.32Å; R68-L112 VanDerWaalsContact CD-O 3.3Å; R68-L112 WeakPolarHBondContact CD-O 3.38Å; R68-L112 PolarHBondContact NH1-O 3.3Å; R68-L114 HydrophobicContact CB-CD2 3.92Å; R68-L114 HydrophobicContact CG-CD2 3.85Å
69	D	98.8	Very high	98.9	Very high	113 Å²	113	30.2 Å²	30.2	60%	0.604	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.9	-175.2	-59.1	-16.5	0	0	0	111.4	G66 W67 G71	G66-D69 PolarHBondContact O-N 2.79Å; W67-D69 VanDerWaalsContact C-N 3.31Å; W67-D69 PolarHBondContact O-N 2.94Å; D69-G71 VanDerWaalsContact C-N 3.32Å
70	M	98.8	Very high	98.9	Very high	51 Å²	51	30.2 Å²	30.2	25%	0.251	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4	170.9	-66.9	-58.7	-57.7	0	0	113.9	G66 W67 R68 Y72 Q298 P300 I303	G66-M70 WeakPolarHBondContact O-CB 3.5Å; G66-M70 VanDerWaalsContact O-CG 3.28Å; G66-M70 WeakPolarHBondContact O-CG 3.45Å; G66-M70 PolarHBondContact O-N 3.28Å; W67-M70 PolarHBondContact O-N 2.84Å; R68-M70 PolarHBondContact O-N 3.11Å; M70-Y72 HydrophobicContact CB-CD2 4.48Å; M70-Q298 WeakPolarHBondContact CE-O 3.2Å; M70-Q298 HydrophobicContact CG-CB 4.27Å; M70-Q298 HydrophobicContact CG-CG 4.41Å; M70-P300 HydrophobicContact CE-CB 3.97Å; M70-P300 HydrophobicContact CE-CG 3.93Å; M70-I303 HydrophobicContact CB-CD1 4.05Å; M70-I303 HydrophobicContact CE-CD1 3.52Å
71	G	98.8	Very high	98.9	Very high	28 Å²	28	28.6 Å²	28.6	29%	0.289	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.4	-4.6	173.3	0	0	0	0	0	116	M28 W67 R68 D69 T73	M28-G71 WeakPolarHBondContact CB-O 3.46Å; W67-G71 PolarHBondContact O-N 3.28Å; R68-G71 WeakPolarHBondContact O-CA 3.16Å; R68-G71 PolarHBondContact O-N 2.9Å; D69-G71 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 2.86Å
72	Y	98.9	Very high	98.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.			trans	-74	94.5	174.5	-65.6	-89	0	0	0	110.1	M28 M62 W67 R68 M70 L280 M282 L297 I303	M28-Y72 HydrophobicContact CB-CD1 4.01Å; M28-Y72 HydrophobicContact CB-CE1 4.43Å; M28-Y72 HydrophobicContact CB-CG 4.37Å; M28-Y72 HydrophobicContact CE-CD1 4.18Å; M28-Y72 HydrophobicContact CE-CD2 3.72Å; M28-Y72 HydrophobicContact CE-CE1 4.01Å; M28-Y72 HydrophobicContact CE-CE2 3.53Å; M28-Y72 HydrophobicContact CE-CG 4.04Å; M62-Y72 WeakPolarHBondContact CE-O 3.32Å; W67-Y72 HydrophobicContact CB-CD2 4.49Å; W67-Y72 AromaticContact CE3-CD2 3.92Å; W67-Y72 HydrophobicContact CE3-CD2 3.92Å; W67-Y72 HydrophobicContact CE3-CE2 4.08Å; W67-Y72 HydrophobicContact CE3-CG 4.44Å; W67-Y72 HydrophobicContact CZ3-CE2 4.4Å; W67-Y72 WeakPolarHBondContact O-CB 3.47Å; W67-Y72 PolarHBondContact O-N 3.18Å; R68-Y72 WeakPolarHBondContact CA-O 3.32Å; M70-Y72 HydrophobicContact CB-CD2 4.48Å; Y72-L280 HydrophobicContact CE1-CB 4.03Å; Y72-L280 WeakPolarHBondContact CE1-O 3.3Å; Y72-M282 HydrophobicContact CD1-CE 3.54Å; Y72-M282 HydrophobicContact CD1-CG 4.2Å; Y72-M282 HydrophobicContact CD1-SD 4.04Å; Y72-M282 HydrophobicContact CE1-CE 3.96Å; Y72-M282 HydrophobicContact CE1-CG 3.77Å; Y72-M282 HydrophobicContact CE1-SD 3.8Å; Y72-M282 HydrophobicContact CG-CE 3.85Å; Y72-L297 PolarHBondContact OH-O 2.71Å; Y72-I303 HydrophobicContact CE2-CD1 4.11Å
73	T	98.9	Very high	98.9	Very high	40 Å²	40	28.1 Å²	28.1	25%	0.245	16%	0.163	C	C	.	.			trans	-109.7	-23.2	-169.2	54.6	0	0	0	0	114.3	M28 G71 L114 K115	M28-T73 PolarHBondContact O-N 2.94Å; G71-T73 PolarHBondContact O-N 2.86Å; T73-L114 CarbonylContact O-C 3.54Å; T73-L114 WeakPolarHBondContact O-CA 3.19Å; T73-K115 PolarHBondContact O-N 3.21Å
74	Y	98.9	Very high	98.8	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.047	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.2	-179.4	-74.3	-86.1	0	0	0	111.6	L23 P27 M28 G29 W30 M62 K115 D151 M152	L23-Y74 HydrophobicContact CD2-CE2 3.8Å; P27-Y74 HydrophobicContact CB-CD2 4.31Å; P27-Y74 HydrophobicContact CB-CE2 4.36Å; M28-Y74 PolarHBondContact O-N 3.17Å; G29-Y74 CarbonylContact C-O 3.53Å; G29-Y74 WeakPolarHBondContact CA-O 3.49Å; W30-Y74 PolarHBondContact N-O 2.86Å; M62-Y74 WeakPolarHBondContact CE-O 3.26Å; Y74-K115 HydrophobicContact CD1-CB 3.77Å; Y74-K115 HydrophobicContact CD1-CD 4.32Å; Y74-K115 HydrophobicContact CE1-CB 3.9Å; Y74-K115 HydrophobicContact CE1-CD 3.73Å; Y74-K115 HydrophobicContact CE1-CG 4.47Å; Y74-K115 HydrophobicContact CE2-CD 4.07Å; Y74-K115 HydrophobicContact CG-CB 4.31Å; Y74-D151 HydrophobicContact CE1-CB 4.32Å; Y74-M152 HydrophobicContact CD1-CB 3.87Å; Y74-M152 HydrophobicContact CD1-SD 3.91Å; Y74-M152 HydrophobicContact CE1-CB 3.79Å; Y74-M152 HydrophobicContact CE1-SD 4.19Å; Y74-M152 HydrophobicContact CG-SD 4.34Å
75	L	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107.5	168.5	-179.7	77.5	0	0	0	108.1	W30 F55 M58 A59 M62 V109 K115 G117	W30-L75 HydrophobicContact CB-CD1 4.35Å; W30-L75 HydrophobicContact CD2-CD1 4.07Å; W30-L75 HydrophobicContact CE3-CD1 3.47Å; W30-L75 VanDerWaalsContact CE3-CD1 3.47Å; W30-L75 HydrophobicContact CE3-CG 4.46Å; W30-L75 HydrophobicContact CG-CD1 4.47Å; W30-L75 HydrophobicContact CZ3-CD1 4.03Å; F55-L75 HydrophobicContact CB-CD2 4.09Å; F55-L75 HydrophobicContact CD1-CD2 4.43Å; F55-L75 HydrophobicContact CD1-CG 4.35Å; F55-L75 VanDerWaalsContact O-CD2 3.31Å; F55-L75 WeakPolarHBondContact O-CD2 3.36Å; M58-L75 HydrophobicContact CB-CD1 3.71Å; A59-L75 HydrophobicContact CB-CD2 3.88Å; M62-L75 HydrophobicContact SD-CB 4.22Å; M62-L75 HydrophobicContact SD-CD1 3.75Å; L75-V109 HydrophobicContact CD2-CG2 3.75Å; L75-K115 PolarHBondContact N-O 3.15Å; L75-G117 PolarHBondContact O-N 3.47Å
76	N	98.9	Very high	98.8	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.027	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.8	-165.9	-63.5	-9.4	0	0	0	111.6	W30 L31 A32 G117 M152	W30-N76 WeakPolarHBondContact O-CB 3.45Å; W30-N76 PolarHBondContact O-N 2.67Å; L31-N76 HydrophobicContact CB-CB 4.15Å; L31-N76 HydrophobicContact CD1-CB 4.37Å; L31-N76 HydrophobicContact CG-CB 3.94Å; A32-N76 PolarHBondContact N-O 2.81Å; N76-G117 VanDerWaalsContact OD1-CA 3.23Å; N76-G117 WeakPolarHBondContact OD1-CA 3.3Å; N76-G117 PolarHBondContact OD1-N 3.15Å; N76-M152 PolarHBondContact ND2-SD 3.23Å; N76-M152 VanDerWaalsContact ND2-SD 3.36Å
77	I	98.9	Very high	98.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	19%	0.188	C	C	.	.			trans	-72.8	134.1	165.3	-57.3	165.2	0	0	0	108.2	F55 W81 I102 L105 L116 G117 I118 Y119	F55-I77 HydrophobicContact CD1-CG1 3.88Å; F55-I77 HydrophobicContact CD2-CG1 4.26Å; F55-I77 HydrophobicContact CE1-CB 4.04Å; F55-I77 HydrophobicContact CE1-CG1 3.55Å; F55-I77 HydrophobicContact CE1-CG2 4.49Å; F55-I77 HydrophobicContact CE2-CG1 4Å; F55-I77 HydrophobicContact CE2-CG2 4.41Å; F55-I77 HydrophobicContact CG-CG1 4.24Å; F55-I77 HydrophobicContact CZ-CB 3.98Å; F55-I77 HydrophobicContact CZ-CG1 3.64Å; F55-I77 HydrophobicContact CZ-CG2 3.93Å; I77-W81 HydrophobicContact CG2-CB 3.57Å; I77-W81 HydrophobicContact CG2-CG 3.73Å; I77-I102 HydrophobicContact CD1-CD1 4.07Å; I77-L105 HydrophobicContact CD1-CD2 3.94Å; I77-L116 HydrophobicContact CD1-CD1 4.04Å; I77-L116 HydrophobicContact CG1-CD1 4.28Å; I77-G117 PolarHBondContact N-O 3.33Å; I77-I118 HydrophobicContact CB-CG1 4.43Å; I77-I118 HydrophobicContact CD1-CG1 4.38Å; I77-I118 CarbonylContact O-C 3.5Å; I77-Y119 WeakPolarHBondContact O-CB 3.42Å; I77-Y119 PolarHBondContact O-N 3.22Å
78	D	98.9	Very high	98.8	Very high	4 Å²	4	34 Å²	34	2%	0.021	22%	0.215	C	C	.	.			trans	-105.5	-155.7	171.5	-152.2	-97	0	0	0	111.2	L31 W33 W81 Y119 K154	L31-D78 HydrophobicContact CD2-CB 3.74Å; L31-D78 WeakPolarHBondContact CD2-OD2 3.49Å; W33-D78 HydrophobicContact CB-CB 3.87Å; W33-D78 HydrophobicContact CE3-CB 4.37Å; D78-W81 VanDerWaalsContact O-CD1 3.26Å; D78-Y119 VanDerWaalsContact C-CB 3.45Å; D78-K154 IonicContact OD1-NZ 3.69Å; D78-K154 PolarHBondContact OD1-NZ 3.43Å; D78-K154 WeakPolarHBondContact OD2-CD 3.24Å; D78-K154 IonicContact OD2-NZ 2.69Å; D78-K154 PolarHBondContact OD2-NZ 3.07Å
79	D	98.7	Very high	98.8	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	21%	0.205	C	C	.	.	S	Bend	trans	-57.3	168.5	-178.5	-156.1	-4.9	0	0	0	113.3	W33 W81 Y119 T126 M128	W33-D79 HydrophobicContact CE3-CB 4.36Å; W33-D79 HydrophobicContact CH2-CB 4.43Å; W33-D79 HydrophobicContact CZ3-CB 3.83Å; D79-W81 PolarHBondContact O-N 3Å; D79-Y119 HydrophobicContact CB-CD1 4.08Å; D79-Y119 HydrophobicContact CB-CE1 3.72Å; D79-Y119 HydrophobicContact CB-CE2 4.48Å; D79-T126 VanDerWaalsContact CG-OG1 3.24Å; D79-T126 WeakPolarHBondContact OD1-CB 3.42Å; D79-T126 WeakPolarHBondContact OD1-CG2 3.3Å; D79-T126 PolarHBondContact OD1-OG1 2.97Å; D79-T126 WeakPolarHBondContact OD2-CB 3.38Å; D79-T126 PolarHBondContact OD2-OG1 3.03Å; D79-M128 VanDerWaalsContact OD2-CB 3.24Å; D79-M128 WeakPolarHBondContact OD2-CB 3.37Å; D79-M128 VanDerWaalsContact OD2-CG 3.31Å; D79-M128 WeakPolarHBondContact OD2-CG 3.29Å; D79-M128 PolarHBondContact OD2-N 3.36Å
80	C	98.8	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	73.3	14.8	173.5	-44.8	0	0	0	0	116.5	C38 I40 R97 M128 Y130	C38-C80 HydrophobicContact CB-CB 4.11Å; C38-C80 WeakPolarHBondContact CB-SG 3.25Å; C38-C80 WeakPolarHBondContact SG-CB 3.45Å; C38-C80 CovalentContact SG-SG 2.02Å; C38-C80 PolarHBondContact SG-SG 2.84Å; I40-C80 HydrophobicContact CG2-CB 4.11Å; C80-R97 PolarHBondContact O-NH1 2.82Å; C80-R97 PolarHBondContact O-NH2 2.82Å; C80-M128 VanDerWaalsContact SG-CB 3.56Å; C80-Y130 HydrophobicContact CB-CD2 4.28Å; C80-Y130 HydrophobicContact CB-CE2 3.57Å; C80-Y130 WeakPolarHBondContact SG-CE2 3.44Å
81	W	98.9	Very high	98.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	18%	0.175	C	C	.	.			trans	-84.7	-23.5	174	71.6	-89.3	0	0	0	114.1	I77 D78 D79 L91 P93 D94 F98 I102 I118 Y119 F145 W148	I77-W81 HydrophobicContact CG2-CB 3.57Å; I77-W81 HydrophobicContact CG2-CG 3.73Å; D78-W81 VanDerWaalsContact O-CD1 3.26Å; D79-W81 PolarHBondContact O-N 3Å; W81-L91 HydrophobicContact CH2-CB 4.06Å; W81-L91 HydrophobicContact CH2-CD1 4.25Å; W81-L91 HydrophobicContact CZ2-CD1 4.27Å; W81-P93 HydrophobicContact CE3-CB 3.75Å; W81-P93 HydrophobicContact CZ3-CB 3.93Å; W81-P93 WeakPolarHBondContact O-CA 3.45Å; W81-D94 PolarHBondContact O-N 2.89Å; W81-F98 HydrophobicContact CB-CE2 4.04Å; W81-F98 HydrophobicContact CB-CZ 4.01Å; W81-I102 HydrophobicContact CE3-CD1 4.14Å; W81-I102 HydrophobicContact CE3-CG1 4.24Å; W81-I102 HydrophobicContact CZ3-CD1 4.43Å; W81-I102 HydrophobicContact CZ3-CG1 4.03Å; W81-I118 HydrophobicContact CD2-CD1 4.32Å; W81-I118 HydrophobicContact CD2-CG1 4.44Å; W81-I118 HydrophobicContact CE3-CD1 4.47Å; W81-I118 HydrophobicContact CH2-CD1 3.87Å; W81-I118 HydrophobicContact CZ2-CD1 3.65Å; W81-I118 HydrophobicContact CZ2-CG1 4.04Å; W81-I118 HydrophobicContact CZ3-CD1 4.27Å; W81-Y119 PolarHBondContact NE1-O 3.47Å; W81-F145 HydrophobicContact CH2-CE1 4.34Å; W81-F145 HydrophobicContact CZ2-CE1 4.12Å; W81-W148 AromaticContact CH2-CH2 3.93Å; W81-W148 HydrophobicContact CH2-CH2 3.93Å; W81-W148 AromaticContact CH2-CZ3 3.56Å; W81-W148 HydrophobicContact CH2-CZ3 3.56Å; W81-W148 AromaticContact CZ3-CH2 3.97Å; W81-W148 HydrophobicContact CZ3-CH2 3.97Å; W81-W148 AromaticContact CZ3-CZ3 3.78Å; W81-W148 HydrophobicContact CZ3-CZ3 3.78Å
82	I	98.9	Very high	98.8	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.2	-170	-55.5	168.3	0	0	0	110.4	L91 T126 Y130 P131	I82-L91 HydrophobicContact CD1-CD2 4.17Å; I82-L91 HydrophobicContact CG2-CD2 3.93Å; I82-T126 HydrophobicContact CD1-CG2 4.11Å; I82-Y130 HydrophobicContact CB-CD1 4.13Å; I82-Y130 WeakPolarHBondContact O-CD1 3.11Å; I82-Y130 WeakPolarHBondContact O-CE1 3.38Å; I82-P131 WeakPolarHBondContact CD1-O 3.37Å; I82-P131 HydrophobicContact CG2-CB 4.24Å; I82-P131 HydrophobicContact CG2-CG 3.84Å
83	G	98.8	Very high	98.8	Very high	45 Å²	45	29 Å²	29	46%	0.464	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-33.1	170.1	0	0	0	0	0	112.8	M92 P93 D94	G83-M92 PolarHBondContact N-O 3.35Å; G83-P93 VanDerWaalsContact N-C 3.34Å; G83-D94 VanDerWaalsContact N-N 3.18Å
84	G	98.7	Very high	98.8	Very high	15 Å²	15	28.8 Å²	28.8	16%	0.155	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-164.2	-179.3	0	0	0	0	0	112.5	M92	G84-M92 PolarHBondContact N-O 3.15Å; G84-M92 PolarHBondContact O-N 3.48Å
85	R	98.8	Very high	98.7	Very high	62 Å²	62	32.9 Å²	32.9	23%	0.234	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.4	165.4	-69.2	179.6	179.4	-78.4	-3.4	109.2	G89 R90 L91 P131 G132 D141	R85-G89 WeakPolarHBondContact CD-O 3.1Å; R85-G89 PolarHBondContact NH1-O 2.78Å; R85-R90 CarbonylContact C-O 3.59Å; R85-R90 WeakPolarHBondContact CA-O 3.49Å; R85-L91 HydrophobicContact CG-CD2 4.05Å; R85-P131 HydrophobicContact CG-CB 4.46Å; R85-G132 PolarHBondContact NH2-O 2.97Å; R85-D141 IonicContact CZ-OD1 3.47Å; R85-D141 IonicContact CZ-OD2 3.18Å; R85-D141 IonicContact NH1-OD1 3.33Å; R85-D141 PolarHBondContact NH1-OD1 3.27Å; R85-D141 IonicContact NH1-OD2 2.73Å; R85-D141 PolarHBondContact NH1-OD2 3.04Å; R85-D141 IonicContact NH2-OD1 3.04Å; R85-D141 IonicContact NH2-OD2 3.05Å; R85-D141 PolarHBondContact NH2-OD2 3.44Å
86	D	98.5	Very high	98.7	Very high	56 Å²	56	41.7 Å²	41.7	30%	0.299	25%	0.249	S	C	.	.			trans	-73.3	-178.7	176.3	74.2	11.1	0	0	0	111.9	S88 G89 R90 M92	D86-S88 PolarHBondContact O-N 3.27Å; D86-S88 VanDerWaalsContact O-N 3.15Å; D86-S88 VanDerWaalsContact OD1-CA 3.26Å; D86-S88 WeakPolarHBondContact OD1-CA 3.2Å; D86-S88 WeakPolarHBondContact OD1-CB 3.3Å; D86-S88 PolarHBondContact OD1-N 3.26Å; D86-S88 PolarHBondContact OD1-OG 3.14Å; D86-S88 PolarHBondContact OD2-OG 2.73Å; D86-G89 WeakPolarHBondContact O-CA 3.16Å; D86-G89 PolarHBondContact O-N 2.89Å; D86-G89 PolarHBondContact OD1-N 3.16Å; D86-R90 PolarHBondContact N-O 2.88Å; D86-R90 WeakPolarHBondContact OD1-CB 3.17Å; D86-R90 PolarHBondContact OD1-N 2.81Å; D86-R90 WeakPolarHBondContact OD2-CB 3.09Å; D86-M92 HydrophobicContact CB-CE 3.98Å; D86-M92 HydrophobicContact CB-CG 4.14Å; D86-M92 HydrophobicContact CB-SD 3.67Å
87	A	98.3	Very high	98.7	Very high	118 Å²	118	42.1 Å²	42.1	98%	0.975	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.3	179.4	0	0	0	0	0	114
88	S	98.1	Very high	98.7	Very high	80 Å²	80	42.2 Å²	42.2	56%	0.559	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.9	173.7	77.3	0	0	0	0	112.9	D86 Q140	D86-S88 PolarHBondContact O-N 3.27Å; D86-S88 VanDerWaalsContact O-N 3.15Å; D86-S88 VanDerWaalsContact OD1-CA 3.26Å; D86-S88 WeakPolarHBondContact OD1-CA 3.2Å; D86-S88 WeakPolarHBondContact OD1-CB 3.3Å; D86-S88 PolarHBondContact OD1-N 3.26Å; D86-S88 PolarHBondContact OD1-OG 3.14Å; D86-S88 PolarHBondContact OD2-OG 2.73Å; S88-Q140 PolarHBondContact O-NE2 3.22Å
89	G	98.4	Very high	98.7	Very high	10 Å²	10	46 Å²	46	10%	0.103	28%	0.275	C	S	.	.	S	Bend	trans	83.1	7.4	-177.6	0	0	0	0	0	114.5	R85 D86 Q140	R85-G89 WeakPolarHBondContact CD-O 3.1Å; R85-G89 PolarHBondContact NH1-O 2.78Å; D86-G89 WeakPolarHBondContact O-CA 3.16Å; D86-G89 PolarHBondContact O-N 2.89Å; D86-G89 PolarHBondContact OD1-N 3.16Å; G89-Q140 PolarHBondContact O-OE1 2.97Å
90	R	98.8	Very high	98.7	Very high	56 Å²	56	51.4 Å²	51.4	21%	0.211	30%	0.3	C	S	.	.			trans	-73.8	136.7	178.2	-170.1	-169.4	179.9	91	-5.4	110	R85 D86 T144 E147 W148	R85-R90 CarbonylContact C-O 3.59Å; R85-R90 WeakPolarHBondContact CA-O 3.49Å; D86-R90 PolarHBondContact N-O 2.88Å; D86-R90 WeakPolarHBondContact OD1-CB 3.17Å; D86-R90 PolarHBondContact OD1-N 2.81Å; D86-R90 WeakPolarHBondContact OD2-CB 3.09Å; R90-T144 HydrophobicContact CG-CG2 4.01Å; R90-T144 WeakPolarHBondContact CG-OG1 3.3Å; R90-T144 PolarHBondContact NH1-OG1 2.83Å; R90-E147 IonicContact CZ-OE2 3.37Å; R90-E147 IonicContact NH1-OE2 2.71Å; R90-E147 PolarHBondContact NH1-OE2 3.17Å; R90-E147 IonicContact NH2-OE2 2.82Å; R90-E147 PolarHBondContact NH2-OE2 3.14Å; R90-W148 VanDerWaalsContact NH2-NE1 3.14Å
91	L	98.8	Very high	98.7	Very high	1 Å²	1	52 Å²	52	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	140.3	173.5	-73.1	169.2	0	0	0	111.4	W81 I82 R85 P131 D141 F145 W148	W81-L91 HydrophobicContact CH2-CB 4.06Å; W81-L91 HydrophobicContact CH2-CD1 4.25Å; W81-L91 HydrophobicContact CZ2-CD1 4.27Å; I82-L91 HydrophobicContact CD1-CD2 4.17Å; I82-L91 HydrophobicContact CG2-CD2 3.93Å; R85-L91 HydrophobicContact CG-CD2 4.05Å; L91-P131 HydrophobicContact CD2-CB 4.42Å; L91-D141 HydrophobicContact CD1-CB 4.19Å; L91-F145 HydrophobicContact CD1-CE1 3.92Å; L91-F145 HydrophobicContact CD1-CZ 3.71Å; L91-W148 HydrophobicContact CB-CH2 4.28Å; L91-W148 VanDerWaalsContact O-CH2 3.28Å; L91-W148 WeakPolarHBondContact O-CH2 3.43Å; L91-W148 VanDerWaalsContact O-CZ2 3.32Å; L91-W148 WeakPolarHBondContact O-CZ2 3.45Å
92	M	98.9	Very high	98.7	Very high	82 Å²	82	52 Å²	52	40%	0.404	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.2	171	-63.3	-174.8	-63.8	0	0	109	G83 G84 D86	G83-M92 PolarHBondContact N-O 3.35Å; G84-M92 PolarHBondContact N-O 3.15Å; G84-M92 PolarHBondContact O-N 3.48Å; D86-M92 HydrophobicContact CB-CE 3.98Å; D86-M92 HydrophobicContact CB-CG 4.14Å; D86-M92 HydrophobicContact CB-SD 3.67Å
93	P	98.9	Very high	98.7	Very high	17 Å²	17	54.5 Å²	54.5	11%	0.11	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	163.8	168.9	35.1	-38.2	0	0	0	110.2	W81 G83 P95 F98 I102	W81-P93 HydrophobicContact CE3-CB 3.75Å; W81-P93 HydrophobicContact CZ3-CB 3.93Å; W81-P93 WeakPolarHBondContact O-CA 3.45Å; G83-P93 VanDerWaalsContact N-C 3.34Å; P93-P95 WeakPolarHBondContact O-CD 3.28Å; P93-F98 HydrophobicContact CB-CB 3.78Å; P93-F98 HydrophobicContact CB-CD2 4.19Å; P93-F98 HydrophobicContact CB-CG 4.03Å; P93-F98 HydrophobicContact CG-CB 4.12Å; P93-I102 HydrophobicContact CB-CD1 3.96Å; P93-I102 HydrophobicContact CB-CG1 3.97Å; P93-I102 HydrophobicContact CG-CD1 4.41Å; P93-I102 HydrophobicContact CG-CG1 4.03Å
94	D	98.9	Very high	98.7	Very high	34 Å²	34	56.1 Å²	56.1	18%	0.182	32%	0.318	C	S	.	.			trans	-60.5	118.9	174.4	-177.9	-46.3	0	0	0	110.4	W81 G83 K96 R97 F98	W81-D94 PolarHBondContact O-N 2.89Å; G83-D94 VanDerWaalsContact N-N 3.18Å; D94-K96 PolarHBondContact O-N 3.47Å; D94-K96 WeakPolarHBondContact OD1-CB 3.45Å; D94-K96 PolarHBondContact OD1-N 2.94Å; D94-R97 HydrophobicContact CB-CB 4.24Å; D94-R97 PolarHBondContact O-N 2.94Å; D94-R97 PolarHBondContact OD1-N 3.45Å; D94-R97 IonicContact OD1-NE 3.84Å; D94-R97 IonicContact OD2-CZ 3.32Å; D94-R97 VanDerWaalsContact OD2-CZ 3.32Å; D94-R97 IonicContact OD2-NE 3.49Å; D94-R97 PolarHBondContact OD2-NE 2.94Å; D94-R97 IonicContact OD2-NH2 2.99Å; D94-R97 PolarHBondContact OD2-NH2 2.99Å; D94-F98 HydrophobicContact CB-CD2 4.44Å; D94-F98 PolarHBondContact O-N 2.95Å
95	P	98.7	Very high	98.7	Very high	98 Å²	98	55.4 Å²	55.4	64%	0.636	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.3	-171	29.4	-36.4	0	0	0	113.4	P93 P99	P93-P95 WeakPolarHBondContact O-CD 3.28Å; P95-P99 WeakPolarHBondContact O-CA 3.12Å
96	K	98.8	Very high	98.7	Very high	186 Å²	186	52.4 Å²	52.4	81%	0.809	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-37	175.3	-65.7	-175.8	177.7	-177.2	0	111.4	D94	D94-K96 PolarHBondContact O-N 3.47Å; D94-K96 WeakPolarHBondContact OD1-CB 3.45Å; D94-K96 PolarHBondContact OD1-N 2.94Å
97	R	98.8	Very high	98.8	Very high	14 Å²	14	53.9 Å²	53.9	5%	0.053	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-24.1	-174.6	-61.6	-177.4	-68.7	116.5	-6.4	113.2	I50 S51 E52 C80 D94	I50-R97 WeakPolarHBondContact O-CD 3.34Å; I50-R97 PolarHBondContact O-NH1 2.89Å; S51-R97 CarbonylContact C-O 3.54Å; S51-R97 WeakPolarHBondContact CA-O 3.48Å; S51-R97 WeakPolarHBondContact CB-O 3.39Å; E52-R97 PolarHBondContact N-O 3.39Å; C80-R97 PolarHBondContact O-NH1 2.82Å; C80-R97 PolarHBondContact O-NH2 2.82Å; D94-R97 HydrophobicContact CB-CB 4.24Å; D94-R97 PolarHBondContact O-N 2.94Å; D94-R97 PolarHBondContact OD1-N 3.45Å; D94-R97 IonicContact OD1-NE 3.84Å; D94-R97 IonicContact OD2-CZ 3.32Å; D94-R97 VanDerWaalsContact OD2-CZ 3.32Å; D94-R97 IonicContact OD2-NE 3.49Å; D94-R97 PolarHBondContact OD2-NE 2.94Å; D94-R97 IonicContact OD2-NH2 2.99Å; D94-R97 PolarHBondContact OD2-NH2 2.99Å
98	F	98.9	Very high	98.8	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.013	27%	0.271	C	S	.	.	S	Bend	trans	-128.4	59.6	175.1	-60	-97.3	0	0	0	110.4	I50 E52 F55 W81 P93 D94 H100 G101 I102 L105	I50-F98 HydrophobicContact CG2-CE2 4.42Å; I50-F98 HydrophobicContact CG2-CZ 4.15Å; E52-F98 HydrophobicContact CB-CB 4.5Å; E52-F98 HydrophobicContact CB-CD1 3.71Å; E52-F98 HydrophobicContact CB-CE1 4.33Å; E52-F98 HydrophobicContact CB-CG 4.35Å; E52-F98 VanDerWaalsContact OE2-CA 3.27Å; E52-F98 WeakPolarHBondContact OE2-CA 3.48Å; F55-F98 AromaticContact CD2-CE1 3.85Å; F55-F98 HydrophobicContact CD2-CE1 3.85Å; F55-F98 HydrophobicContact CD2-CZ 4.19Å; F55-F98 AromaticContact CE2-CE1 3.91Å; F55-F98 HydrophobicContact CE2-CE1 3.91Å; F55-F98 AromaticContact CE2-CZ 3.78Å; F55-F98 HydrophobicContact CE2-CZ 3.78Å; W81-F98 HydrophobicContact CB-CE2 4.04Å; W81-F98 HydrophobicContact CB-CZ 4.01Å; P93-F98 HydrophobicContact CB-CB 3.78Å; P93-F98 HydrophobicContact CB-CD2 4.19Å; P93-F98 HydrophobicContact CB-CG 4.03Å; P93-F98 HydrophobicContact CG-CB 4.12Å; D94-F98 HydrophobicContact CB-CD2 4.44Å; D94-F98 PolarHBondContact O-N 2.95Å; F98-H100 PolarHBondContact O-N 2.93Å; F98-H100 VanDerWaalsContact O-N 3.15Å; F98-G101 PolarHBondContact O-N 3.44Å; F98-I102 HydrophobicContact CD1-CD1 4.07Å; F98-I102 HydrophobicContact CE1-CD1 4.39Å; F98-L105 HydrophobicContact CD1-CD2 4.44Å; F98-L105 HydrophobicContact CE1-CD2 4.26Å
99	P	98.8	Very high	98.8	Very high	83 Å²	83	47.3 Å²	47.3	54%	0.539	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.4	-175.2	25	-37	0	0	0	114.5	E52 P95	E52-P99 WeakPolarHBondContact OE1-CG 3.38Å; E52-P99 WeakPolarHBondContact OE2-CD 3.48Å; E52-P99 VanDerWaalsContact OE2-N 3.12Å; P95-P99 WeakPolarHBondContact O-CA 3.12Å
100	H	98.9	Very high	98.9	Very high	116 Å²	116	49.4 Å²	49.4	54%	0.537	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-8.1	176.9	-60.3	91.5	0	0	0	113.4	E52 F98 F104	E52-H100 IonicContact OE1-CE1 3.22Å; E52-H100 PolarHBondContact OE1-CE1 2.9Å; E52-H100 IonicContact OE1-CG 3.65Å; E52-H100 IonicContact OE1-ND1 3.51Å; E52-H100 PolarHBondContact OE1-ND1 2.87Å; E52-H100 IonicContact OE2-CG 3.41Å; E52-H100 PolarHBondContact OE2-N 3.29Å; E52-H100 IonicContact OE2-ND1 2.9Å; F98-H100 PolarHBondContact O-N 2.93Å; F98-H100 VanDerWaalsContact O-N 3.15Å; H100-F104 HydrophobicContact CB-CB 3.73Å; H100-F104 HydrophobicContact CB-CD1 3.37Å; H100-F104 HydrophobicContact CB-CD2 4.17Å; H100-F104 HydrophobicContact CB-CE1 3.98Å; H100-F104 HydrophobicContact CB-CG 3.47Å; H100-F104 VanDerWaalsContact CB-CG 3.47Å; H100-F104 AromaticContact CG-CD1 4Å; H100-F104 WeakPolarHBondContact O-CB 3.34Å
101	G	98.8	Very high	98.9	Very high	14 Å²	14	51 Å²	51	14%	0.144	27%	0.272	C	S	.	.	H	α-helix	trans	78	166.8	179.7	0	0	0	0	0	114.7	F98 F104 L105	F98-G101 PolarHBondContact O-N 3.44Å; G101-F104 PolarHBondContact O-N 3.18Å; G101-L105 PolarHBondContact O-N 3.33Å
102	I	98.9	Very high	98.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-38.4	-178.3	-56.7	-55.3	0	0	0	113.7	I77 W81 P93 F98 F104 L105 A106 L116 I118 W148	I77-I102 HydrophobicContact CD1-CD1 4.07Å; W81-I102 HydrophobicContact CE3-CD1 4.14Å; W81-I102 HydrophobicContact CE3-CG1 4.24Å; W81-I102 HydrophobicContact CZ3-CD1 4.43Å; W81-I102 HydrophobicContact CZ3-CG1 4.03Å; P93-I102 HydrophobicContact CB-CD1 3.96Å; P93-I102 HydrophobicContact CB-CG1 3.97Å; P93-I102 HydrophobicContact CG-CD1 4.41Å; P93-I102 HydrophobicContact CG-CG1 4.03Å; F98-I102 HydrophobicContact CD1-CD1 4.07Å; F98-I102 HydrophobicContact CE1-CD1 4.39Å; I102-F104 VanDerWaalsContact C-N 3.3Å; I102-F104 PolarHBondContact O-N 2.82Å; I102-L105 PolarHBondContact O-N 3.3Å; I102-L105 VanDerWaalsContact O-N 3.12Å; I102-A106 PolarHBondContact O-N 2.88Å; I102-L116 HydrophobicContact CG2-CD2 4.02Å; I102-I118 HydrophobicContact CG1-CD1 4.41Å; I102-I118 HydrophobicContact CG2-CD1 4.17Å; I102-W148 HydrophobicContact CB-CD2 3.93Å; I102-W148 HydrophobicContact CB-CE3 3.63Å; I102-W148 HydrophobicContact CB-CG 4.45Å; I102-W148 HydrophobicContact CB-CZ3 3.97Å; I102-W148 HydrophobicContact CG1-CE3 3.95Å; I102-W148 HydrophobicContact CG1-CH2 4.26Å; I102-W148 HydrophobicContact CG1-CZ3 3.76Å; I102-W148 HydrophobicContact CG2-CB 4.2Å; I102-W148 HydrophobicContact CG2-CD2 4.12Å; I102-W148 HydrophobicContact CG2-CE3 3.62Å; I102-W148 HydrophobicContact CG2-CG 4.41Å; I102-W148 HydrophobicContact CG2-CZ3 4.28Å
103	P	98.9	Very high	98.9	Very high	55 Å²	55	51.1 Å²	51.1	36%	0.357	29%	0.285	S	S	.	.	H	α-helix	trans	-55.9	-42.8	176.4	-28.5	36.2	0	0	0	113.6	A106 D107 W148	P103-A106 PolarHBondContact O-N 3.12Å; P103-D107 PolarHBondContact O-N 2.95Å; P103-W148 HydrophobicContact CG-CB 4.45Å; P103-W148 VanDerWaalsContact CG-CD1 3.41Å; P103-W148 HydrophobicContact CG-CG 3.95Å
104	F	98.9	Very high	98.9	Very high	78 Å²	78	50.6 Å²	50.6	34%	0.342	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-44.8	176.5	170.9	-93.2	0	0	0	111.5	M56 H100 G101 I102 A106 D107 Y108	M56-F104 HydrophobicContact CE-CE1 4.27Å; M56-F104 HydrophobicContact SD-CE1 4.04Å; H100-F104 HydrophobicContact CB-CB 3.73Å; H100-F104 HydrophobicContact CB-CD1 3.37Å; H100-F104 HydrophobicContact CB-CD2 4.17Å; H100-F104 HydrophobicContact CB-CE1 3.98Å; H100-F104 HydrophobicContact CB-CG 3.47Å; H100-F104 VanDerWaalsContact CB-CG 3.47Å; H100-F104 AromaticContact CG-CD1 4Å; H100-F104 WeakPolarHBondContact O-CB 3.34Å; G101-F104 PolarHBondContact O-N 3.18Å; I102-F104 VanDerWaalsContact C-N 3.3Å; I102-F104 PolarHBondContact O-N 2.82Å; F104-A106 VanDerWaalsContact C-N 3.35Å; F104-A106 PolarHBondContact O-N 2.67Å; F104-D107 PolarHBondContact O-N 3.5Å; F104-Y108 PolarHBondContact O-N 3.33Å
105	L	98.9	Very high	98.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-39.4	178.8	-177.7	59.9	0	0	0	111.8	F55 M56 I77 F98 G101 I102 Y108 V109 L116	F55-L105 HydrophobicContact CB-CD1 3.94Å; F55-L105 HydrophobicContact CB-CD2 3.91Å; F55-L105 HydrophobicContact CD2-CD2 4.3Å; F55-L105 HydrophobicContact CG-CD2 4.23Å; M56-L105 HydrophobicContact CG-CD1 3.86Å; I77-L105 HydrophobicContact CD1-CD2 3.94Å; F98-L105 HydrophobicContact CD1-CD2 4.44Å; F98-L105 HydrophobicContact CE1-CD2 4.26Å; G101-L105 PolarHBondContact O-N 3.33Å; I102-L105 PolarHBondContact O-N 3.3Å; I102-L105 VanDerWaalsContact O-N 3.12Å; L105-Y108 PolarHBondContact O-N 3.44Å; L105-V109 HydrophobicContact CD1-CG2 4.23Å; L105-V109 HydrophobicContact CG-CG2 4.49Å; L105-V109 WeakPolarHBondContact O-CB 3.35Å; L105-V109 VanDerWaalsContact O-CG2 3.25Å; L105-V109 WeakPolarHBondContact O-CG2 3.21Å; L105-V109 PolarHBondContact O-N 3.17Å; L105-L116 HydrophobicContact CD2-CD1 4.38Å; L105-L116 HydrophobicContact CG-CD1 4.36Å
106	A	98.9	Very high	98.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-48.4	174.5	0	0	0	0	0	111.2	I102 P103 F104 Y108 V109 H110 L116 W148	I102-A106 PolarHBondContact O-N 2.88Å; P103-A106 PolarHBondContact O-N 3.12Å; F104-A106 VanDerWaalsContact C-N 3.35Å; F104-A106 PolarHBondContact O-N 2.67Å; A106-Y108 VanDerWaalsContact C-N 3.31Å; A106-Y108 PolarHBondContact O-N 3.12Å; A106-V109 PolarHBondContact O-N 3.18Å; A106-H110 WeakPolarHBondContact O-CB 3.31Å; A106-H110 PolarHBondContact O-CD2 3.44Å; A106-H110 PolarHBondContact O-N 2.84Å; A106-L116 HydrophobicContact CB-CD2 3.7Å; A106-W148 WeakPolarHBondContact CB-O 3.4Å
107	D	98.9	Very high	98.9	Very high	86 Å²	86	39.1 Å²	39.1	46%	0.46	22%	0.22	S	C	.	.	H	α-helix	trans	-59.7	-40.9	176.8	-73.2	-21.5	0	0	0	111.6	P103 F104 H110 S111	P103-D107 PolarHBondContact O-N 2.95Å; F104-D107 PolarHBondContact O-N 3.5Å; D107-H110 PolarHBondContact O-N 2.6Å; D107-S111 WeakPolarHBondContact O-CB 3.48Å; D107-S111 PolarHBondContact O-N 2.96Å
108	Y	98.9	Very high	98.9	Very high	60 Å²	60	38.5 Å²	38.5	24%	0.235	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-51.7	175.7	-172.3	-96	0	0	0	111.8	M56 A59 D60 F104 L105 A106 H110 S111 L112	M56-Y108 HydrophobicContact CB-CD1 4.21Å; M56-Y108 HydrophobicContact CB-CE1 3.85Å; M56-Y108 HydrophobicContact CE-CD2 4.05Å; M56-Y108 HydrophobicContact CE-CE1 4.35Å; M56-Y108 HydrophobicContact CE-CE2 3.84Å; M56-Y108 HydrophobicContact CE-CG 4.39Å; M56-Y108 HydrophobicContact CG-CD1 3.83Å; M56-Y108 HydrophobicContact CG-CE1 3.97Å; M56-Y108 HydrophobicContact CG-CG 4.31Å; A59-Y108 HydrophobicContact CB-CD1 4.43Å; A59-Y108 HydrophobicContact CB-CE1 4.24Å; D60-Y108 PolarHBondContact OD1-OH 3.28Å; D60-Y108 PolarHBondContact OD2-OH 2.96Å; F104-Y108 PolarHBondContact O-N 3.33Å; L105-Y108 PolarHBondContact O-N 3.44Å; A106-Y108 VanDerWaalsContact C-N 3.31Å; A106-Y108 PolarHBondContact O-N 3.12Å; Y108-H110 VanDerWaalsContact C-N 3.34Å; Y108-H110 PolarHBondContact O-N 2.92Å; Y108-S111 WeakPolarHBondContact O-CB 3.36Å; Y108-S111 PolarHBondContact O-N 2.82Å; Y108-S111 PolarHBondContact O-OG 3.01Å; Y108-L112 HydrophobicContact CD1-CD1 4.24Å; Y108-L112 HydrophobicContact CE1-CD1 3.75Å; Y108-L112 PolarHBondContact O-N 2.99Å
109	V	98.9	Very high	98.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-42.7	179.4	170.6	0	0	0	0	110.9	A59 L75 L105 A106 S111 L112 L114 L116	A59-V109 HydrophobicContact CB-CG2 4.28Å; L75-V109 HydrophobicContact CD2-CG2 3.75Å; L105-V109 HydrophobicContact CD1-CG2 4.23Å; L105-V109 HydrophobicContact CG-CG2 4.49Å; L105-V109 WeakPolarHBondContact O-CB 3.35Å; L105-V109 VanDerWaalsContact O-CG2 3.25Å; L105-V109 WeakPolarHBondContact O-CG2 3.21Å; L105-V109 PolarHBondContact O-N 3.17Å; A106-V109 PolarHBondContact O-N 3.18Å; V109-S111 VanDerWaalsContact C-N 3.33Å; V109-S111 PolarHBondContact O-N 3.42Å; V109-L112 PolarHBondContact O-N 2.91Å; V109-L114 HydrophobicContact CG1-CB 3.54Å; V109-L114 WeakPolarHBondContact O-CB 3.23Å; V109-L114 PolarHBondContact O-N 3.45Å; V109-L114 VanDerWaalsContact O-N 3.15Å; V109-L116 HydrophobicContact CG1-CB 4.24Å; V109-L116 HydrophobicContact CG2-CD1 4.34Å
110	H	98.9	Very high	98.9	Very high	55 Å²	55	34.6 Å²	34.6	26%	0.255	19%	0.193	S	C	.	.	H	α-helix	trans	-65	-35.9	176.7	-66.3	172	0	0	0	112.5	A106 D107 Y108 L112 G113 L114 K149 D151	A106-H110 WeakPolarHBondContact O-CB 3.31Å; A106-H110 PolarHBondContact O-CD2 3.44Å; A106-H110 PolarHBondContact O-N 2.84Å; D107-H110 PolarHBondContact O-N 2.6Å; Y108-H110 VanDerWaalsContact C-N 3.34Å; Y108-H110 PolarHBondContact O-N 2.92Å; H110-L112 PolarHBondContact O-N 3.49Å; H110-G113 PolarHBondContact O-N 2.8Å; H110-L114 PolarHBondContact CD2-O 2.85Å; H110-K149 PolarHBondContact CE1-O 3.47Å; H110-K149 PolarHBondContact NE2-O 2.87Å; H110-D151 IonicContact CD2-OD2 2.68Å; H110-D151 IonicContact CE1-OD2 3.75Å; H110-D151 IonicContact NE2-OD1 3.72Å; H110-D151 IonicContact NE2-OD2 2.6Å; H110-D151 PolarHBondContact NE2-OD2 3.39Å
111	S	98.9	Very high	98.9	Very high	89 Å²	89	29 Å²	29	62%	0.622	17%	0.167	S	C	*	.	H	α-helix	trans	-61.6	-23.3	176.7	81.8	0	0	0	0	113.2	D107 Y108 V109	D107-S111 WeakPolarHBondContact O-CB 3.48Å; D107-S111 PolarHBondContact O-N 2.96Å; Y108-S111 WeakPolarHBondContact O-CB 3.36Å; Y108-S111 PolarHBondContact O-N 2.82Å; Y108-S111 PolarHBondContact O-OG 3.01Å; V109-S111 VanDerWaalsContact C-N 3.33Å; V109-S111 PolarHBondContact O-N 3.42Å
112	L	98.9	Very high	98.9	Very high	37 Å²	37	28.5 Å²	28.5	19%	0.194	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.1	176.4	-62.2	177.1	0	0	0	113.3	A59 A63 R68 Y108 V109 H110 L114	A59-L112 HydrophobicContact CB-CD1 3.72Å; A63-L112 HydrophobicContact CB-CB 4.05Å; A63-L112 HydrophobicContact CB-CD1 4.31Å; A63-L112 HydrophobicContact CB-CD2 4.18Å; A63-L112 HydrophobicContact CB-CG 4.41Å; R68-L112 VanDerWaalsContact CD-O 3.3Å; R68-L112 WeakPolarHBondContact CD-O 3.38Å; R68-L112 PolarHBondContact NH1-O 3.3Å; Y108-L112 HydrophobicContact CD1-CD1 4.24Å; Y108-L112 HydrophobicContact CE1-CD1 3.75Å; Y108-L112 PolarHBondContact O-N 2.99Å; V109-L112 PolarHBondContact O-N 2.91Å; H110-L112 PolarHBondContact O-N 3.49Å; L112-L114 VanDerWaalsContact C-N 3.29Å; L112-L114 HydrophobicContact CB-CD1 4.26Å; L112-L114 HydrophobicContact CB-CG 4.39Å
113	G	98.8	Very high	98.9	Very high	49 Å²	49	28.6 Å²	28.6	51%	0.505	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	21.1	-176.5	0	0	0	0	0	113.7	H110	H110-G113 PolarHBondContact O-N 2.8Å
114	L	98.9	Very high	98.9	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	17%	0.167	C	C	.	.			trans	-101.8	174.5	176.5	-64.4	171.5	0	0	0	110.8	A59 M62 R68 T73 V109 H110 L112	A59-L114 HydrophobicContact CB-CD1 4.03Å; M62-L114 HydrophobicContact CB-CD1 3.79Å; M62-L114 HydrophobicContact CB-CD2 4.23Å; M62-L114 HydrophobicContact CE-CD2 3.95Å; M62-L114 HydrophobicContact SD-CD1 4.49Å; R68-L114 HydrophobicContact CB-CD2 3.92Å; R68-L114 HydrophobicContact CG-CD2 3.85Å; T73-L114 CarbonylContact O-C 3.54Å; T73-L114 WeakPolarHBondContact O-CA 3.19Å; V109-L114 HydrophobicContact CG1-CB 3.54Å; V109-L114 WeakPolarHBondContact O-CB 3.23Å; V109-L114 PolarHBondContact O-N 3.45Å; V109-L114 VanDerWaalsContact O-N 3.15Å; H110-L114 PolarHBondContact CD2-O 2.85Å; L112-L114 VanDerWaalsContact C-N 3.29Å; L112-L114 HydrophobicContact CB-CD1 4.26Å; L112-L114 HydrophobicContact CB-CG 4.39Å
115	K	98.9	Very high	98.9	Very high	77 Å²	77	31.3 Å²	31.3	34%	0.335	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.6	179.3	-68.1	-178.7	-178.5	-61.2	0	109.8	T73 Y74 L75 D151	T73-K115 PolarHBondContact O-N 3.21Å; Y74-K115 HydrophobicContact CD1-CB 3.77Å; Y74-K115 HydrophobicContact CD1-CD 4.32Å; Y74-K115 HydrophobicContact CE1-CB 3.9Å; Y74-K115 HydrophobicContact CE1-CD 3.73Å; Y74-K115 HydrophobicContact CE1-CG 4.47Å; Y74-K115 HydrophobicContact CE2-CD 4.07Å; Y74-K115 HydrophobicContact CG-CB 4.31Å; L75-K115 PolarHBondContact N-O 3.15Å; K115-D151 VanDerWaalsContact CA-OD2 3.29Å; K115-D151 WeakPolarHBondContact CA-OD2 3.4Å; K115-D151 HydrophobicContact CB-CB 3.75Å; K115-D151 HydrophobicContact CD-CB 4.44Å; K115-D151 HydrophobicContact CG-CB 4.23Å
116	L	99	Very high	98.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.8	179.4	-177.7	69	0	0	0	110.6	I77 I102 L105 A106 V109 D151 M152	I77-L116 HydrophobicContact CD1-CD1 4.04Å; I77-L116 HydrophobicContact CG1-CD1 4.28Å; I102-L116 HydrophobicContact CG2-CD2 4.02Å; L105-L116 HydrophobicContact CD2-CD1 4.38Å; L105-L116 HydrophobicContact CG-CD1 4.36Å; A106-L116 HydrophobicContact CB-CD2 3.7Å; V109-L116 HydrophobicContact CG1-CB 4.24Å; V109-L116 HydrophobicContact CG2-CD1 4.34Å; L116-D151 PolarHBondContact N-OD2 2.91Å; L116-D151 PolarHBondContact O-N 3.04Å; L116-M152 PolarHBondContact O-N 3.29Å
117	G	98.9	Very high	98.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	152	165	0	0	0	0	0	112.5	L75 N76 I77 M152	L75-G117 PolarHBondContact O-N 3.47Å; N76-G117 VanDerWaalsContact OD1-CA 3.23Å; N76-G117 WeakPolarHBondContact OD1-CA 3.3Å; N76-G117 PolarHBondContact OD1-N 3.15Å; I77-G117 PolarHBondContact N-O 3.33Å; G117-M152 CarbonylContact C-O 3.56Å; G117-M152 VanDerWaalsContact CA-O 3.24Å; G117-M152 WeakPolarHBondContact CA-O 3.25Å
118	I	98.9	Very high	98.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	168.6	174.2	-149.7	166.8	0	0	0	111.3	I77 W81 I102 F145 W148 V150 M152 L153 K154	I77-I118 HydrophobicContact CB-CG1 4.43Å; I77-I118 HydrophobicContact CD1-CG1 4.38Å; I77-I118 CarbonylContact O-C 3.5Å; W81-I118 HydrophobicContact CD2-CD1 4.32Å; W81-I118 HydrophobicContact CD2-CG1 4.44Å; W81-I118 HydrophobicContact CE3-CD1 4.47Å; W81-I118 HydrophobicContact CH2-CD1 3.87Å; W81-I118 HydrophobicContact CZ2-CD1 3.65Å; W81-I118 HydrophobicContact CZ2-CG1 4.04Å; W81-I118 HydrophobicContact CZ3-CD1 4.27Å; I102-I118 HydrophobicContact CG1-CD1 4.41Å; I102-I118 HydrophobicContact CG2-CD1 4.17Å; I118-F145 HydrophobicContact CD1-CD1 4.14Å; I118-F145 HydrophobicContact CD1-CE1 4.07Å; I118-F145 HydrophobicContact CG2-CD1 3.82Å; I118-F145 HydrophobicContact CG2-CD2 4.46Å; I118-F145 HydrophobicContact CG2-CE1 3.97Å; I118-F145 HydrophobicContact CG2-CG 4.1Å; I118-F145 HydrophobicContact CG2-CZ 4.36Å; I118-W148 HydrophobicContact CD1-CE3 4.25Å; I118-W148 HydrophobicContact CD1-CZ3 4.12Å; I118-V150 HydrophobicContact CB-CG1 4.02Å; I118-V150 HydrophobicContact CB-CG2 4.24Å; I118-V150 HydrophobicContact CD1-CG2 4.37Å; I118-V150 HydrophobicContact CG2-CG1 3.69Å; I118-V150 HydrophobicContact CG2-CG2 4.17Å; I118-M152 PolarHBondContact N-O 3.47Å; I118-L153 HydrophobicContact CG2-CD1 3.76Å; I118-L153 WeakPolarHBondContact O-CA 3.29Å; I118-K154 PolarHBondContact O-N 2.68Å
119	Y	98.9	Very high	98.8	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142	-179	173.1	-84.2	0	0	0	112	I77 D78 D79 W81 T126 K154 D156	I77-Y119 WeakPolarHBondContact O-CB 3.42Å; I77-Y119 PolarHBondContact O-N 3.22Å; D78-Y119 VanDerWaalsContact C-CB 3.45Å; D79-Y119 HydrophobicContact CB-CD1 4.08Å; D79-Y119 HydrophobicContact CB-CE1 3.72Å; D79-Y119 HydrophobicContact CB-CE2 4.48Å; W81-Y119 PolarHBondContact NE1-O 3.47Å; Y119-T126 HydrophobicContact CD1-CG2 4.48Å; Y119-T126 HydrophobicContact CE1-CG2 3.73Å; Y119-K154 WeakPolarHBondContact CA-O 3.44Å; Y119-K154 HydrophobicContact CD2-CB 4.35Å; Y119-K154 HydrophobicContact CD2-CD 3.88Å; Y119-K154 HydrophobicContact CD2-CG 4.04Å; Y119-K154 HydrophobicContact CE2-CD 4.26Å; Y119-K154 HydrophobicContact CE2-CG 4.47Å; Y119-D156 HydrophobicContact CE2-CB 3.6Å; Y119-D156 WeakPolarHBondContact CE2-OD2 3.41Å; Y119-D156 WeakPolarHBondContact OH-CB 3.48Å; Y119-D156 PolarHBondContact OH-OD2 2.65Å
120	A	98.9	Very high	98.8	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	174.1	164.6	0	0	0	0	0	109.6	F145 L153 K154 L155 D156	A120-F145 HydrophobicContact CB-CE2 4.24Å; A120-F145 HydrophobicContact CB-CZ 4.1Å; A120-L153 HydrophobicContact CB-CD1 3.96Å; A120-K154 PolarHBondContact N-O 3.27Å; A120-L155 HydrophobicContact CB-CD1 3.82Å; A120-L155 WeakPolarHBondContact O-CA 3.44Å; A120-D156 PolarHBondContact O-N 2.65Å
121	D	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.9	175.5	-173.4	-58.6	0	0	0	110	G123 F125 T126 T133 D156 C158	D121-G123 VanDerWaalsContact C-N 3.28Å; D121-G123 PolarHBondContact O-N 3.14Å; D121-G123 PolarHBondContact OD1-N 2.91Å; D121-F125 VanDerWaalsContact CG-O 3.3Å; D121-T126 HydrophobicContact CB-CG2 4.08Å; D121-T133 WeakPolarHBondContact O-CA 3.41Å; D121-T133 VanDerWaalsContact O-CB 3.26Å; D121-T133 WeakPolarHBondContact O-CB 3.17Å; D121-T133 PolarHBondContact O-N 2.9Å; D121-D156 HydrophobicContact CB-CB 4.15Å; D121-D156 WeakPolarHBondContact OD2-CB 3.5Å; D121-C158 PolarHBondContact OD1-N 3.31Å; D121-C158 WeakPolarHBondContact OD2-CA 3.46Å; D121-C158 VanDerWaalsContact OD2-CB 3.25Å; D121-C158 WeakPolarHBondContact OD2-CB 3.44Å; D121-C158 PolarHBondContact OD2-N 2.94Å
122	M	98.9	Very high	98.8	Very high	2 Å²	2	30 Å²	30	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	-78.9	77.1	173.1	-170.2	59.1	-110.1	0	0	110.4	T133 L135 V138 L155 D156 S160 G168 Y169	M122-T133 WeakPolarHBondContact CE-O 3.38Å; M122-L135 HydrophobicContact CE-CD2 3.78Å; M122-L135 HydrophobicContact CE-CG 4Å; M122-V138 HydrophobicContact CE-CG2 4.12Å; M122-V138 HydrophobicContact SD-CG2 3.79Å; M122-L155 HydrophobicContact CB-CD1 4.13Å; M122-L155 HydrophobicContact CB-CD2 3.84Å; M122-L155 HydrophobicContact CB-CG 3.86Å; M122-L155 HydrophobicContact CG-CD2 4.37Å; M122-L155 HydrophobicContact SD-CD2 4.47Å; M122-D156 WeakPolarHBondContact CB-O 3.38Å; M122-D156 PolarHBondContact N-O 3.42Å; M122-S160 WeakPolarHBondContact O-CB 3.48Å; M122-S160 PolarHBondContact O-OG 3.22Å; M122-S160 VanDerWaalsContact O-OG 3.11Å; M122-G168 WeakPolarHBondContact SD-CA 3.2Å; M122-Y169 HydrophobicContact CB-CE2 4.31Å
123	G	98.6	Very high	98.8	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	179.3	-174.1	-174.8	0	0	0	0	0	112.6	D121 F125 G132 T133 T134	D121-G123 VanDerWaalsContact C-N 3.28Å; D121-G123 PolarHBondContact O-N 3.14Å; D121-G123 PolarHBondContact OD1-N 2.91Å; G123-F125 VanDerWaalsContact C-N 3.34Å; G123-G132 CarbonylContact O-C 3.51Å; G123-G132 WeakPolarHBondContact O-CA 3.22Å; G123-T133 PolarHBondContact N-O 3.31Å; G123-T133 CarbonylContact O-C 3.46Å; G123-T133 PolarHBondContact O-N 2.93Å; G123-T134 WeakPolarHBondContact O-CG2 3.45Å; G123-T134 PolarHBondContact O-N 3.39Å
124	N	98.7	Very high	98.8	Very high	87 Å²	87	27.5 Å²	27.5	47%	0.465	15%	0.152	S	C	.	.	S	Bend	trans	-69.7	-33.5	-178.9	-70.5	-35.5	0	0	0	112.8	G132 T134 F159	N124-G132 PolarHBondContact O-N 3.38Å; N124-T134 WeakPolarHBondContact OD1-CG2 3.43Å; N124-F159 HydrophobicContact CB-CB 4.3Å; N124-F159 PolarHBondContact N-O 2.89Å; N124-F159 VanDerWaalsContact N-O 3.13Å
125	F	98.9	Very high	98.8	Very high	103 Å²	103	29.2 Å²	29.2	45%	0.452	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-142	158.4	178.7	-58.3	-80.4	0	0	0	109.4	D121 G123 Y130 F159	D121-F125 VanDerWaalsContact CG-O 3.3Å; G123-F125 VanDerWaalsContact C-N 3.34Å; F125-Y130 CarbonylContact C-O 3.58Å; F125-Y130 WeakPolarHBondContact CA-O 3.4Å; F125-Y130 WeakPolarHBondContact CB-O 3.36Å; F125-F159 HydrophobicContact CB-CB 4.48Å; F125-F159 HydrophobicContact CB-CD2 3.79Å; F125-F159 HydrophobicContact CB-CE2 4.22Å; F125-F159 HydrophobicContact CB-CG 4.13Å; F125-F159 HydrophobicContact CD2-CD1 4.46Å; F125-F159 HydrophobicContact CD2-CG 4.37Å; F125-F159 WeakPolarHBondContact O-CD2 3.17Å
126	T	98.9	Very high	98.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.			trans	-64.5	165	162.6	75.1	0	0	0	0	110.7	D79 I82 Y119 D121 M128 G129 Y130 F159	D79-T126 VanDerWaalsContact CG-OG1 3.24Å; D79-T126 WeakPolarHBondContact OD1-CB 3.42Å; D79-T126 WeakPolarHBondContact OD1-CG2 3.3Å; D79-T126 PolarHBondContact OD1-OG1 2.97Å; D79-T126 WeakPolarHBondContact OD2-CB 3.38Å; D79-T126 PolarHBondContact OD2-OG1 3.03Å; I82-T126 HydrophobicContact CD1-CG2 4.11Å; Y119-T126 HydrophobicContact CD1-CG2 4.48Å; Y119-T126 HydrophobicContact CE1-CG2 3.73Å; D121-T126 HydrophobicContact CB-CG2 4.08Å; T126-M128 PolarHBondContact O-N 2.9Å; T126-M128 VanDerWaalsContact O-N 3.12Å; T126-M128 PolarHBondContact OG1-N 3.02Å; T126-G129 PolarHBondContact O-N 3.08Å; T126-G129 PolarHBondContact OG1-N 3.47Å; T126-Y130 PolarHBondContact N-O 2.79Å; T126-Y130 WeakPolarHBondContact OG1-CB 3.37Å; T126-Y130 PolarHBondContact OG1-N 3.42Å; T126-F159 WeakPolarHBondContact O-CD2 3.31Å; T126-F159 WeakPolarHBondContact O-CE2 3.17Å
127	C	98.4	Very high	98.8	Very high	40 Å²	40	33 Å²	33	27%	0.27	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.7	178	-62.4	0	0	0	0	113.2	D156 C158 Y192	C127-D156 PolarHBondContact SG-OD2 2.87Å; C127-D156 VanDerWaalsContact SG-OD2 3.37Å; C127-C158 VanDerWaalsContact CA-SG 3.5Å; C127-C158 HydrophobicContact CB-CB 3.92Å; C127-C158 WeakPolarHBondContact CB-SG 3.36Å; C127-C158 WeakPolarHBondContact SG-CB 3.17Å; C127-C158 CovalentContact SG-SG 2.04Å; C127-C158 PolarHBondContact SG-SG 2.91Å; C127-Y192 PolarHBondContact SG-OH 3.28Å; C127-Y192 VanDerWaalsContact SG-OH 3.37Å
128	M	98.6	Very high	98.8	Very high	95 Å²	95	32.9 Å²	32.9	47%	0.468	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	9.3	175.7	-61.8	-58	-59.2	0	0	114.8	W33 C38 D79 C80 T126 Y130	W33-M128 HydrophobicContact CH2-CG 3.72Å; W33-M128 HydrophobicContact CH2-SD 4.08Å; W33-M128 HydrophobicContact CZ3-CG 4.24Å; C38-M128 HydrophobicContact CB-CE 3.8Å; C38-M128 HydrophobicContact CB-CG 4.02Å; C38-M128 HydrophobicContact CB-SD 4.44Å; D79-M128 VanDerWaalsContact OD2-CB 3.24Å; D79-M128 WeakPolarHBondContact OD2-CB 3.37Å; D79-M128 VanDerWaalsContact OD2-CG 3.31Å; D79-M128 WeakPolarHBondContact OD2-CG 3.29Å; D79-M128 PolarHBondContact OD2-N 3.36Å; C80-M128 VanDerWaalsContact SG-CB 3.56Å; T126-M128 PolarHBondContact O-N 2.9Å; T126-M128 VanDerWaalsContact O-N 3.12Å; T126-M128 PolarHBondContact OG1-N 3.02Å; M128-Y130 HydrophobicContact CB-CD2 4.04Å; M128-Y130 HydrophobicContact CB-CE2 4.08Å
129	G	98.6	Very high	98.8	Very high	43 Å²	43	36 Å²	36	44%	0.443	20%	0.201	S	C	.	.	S	Bend	trans	89.4	12.5	172	0	0	0	0	0	115.5	T126	T126-G129 PolarHBondContact O-N 3.08Å; T126-G129 PolarHBondContact OG1-N 3.47Å
130	Y	98.9	Very high	98.8	Very high	38 Å²	38	38.1 Å²	38.1	15%	0.149	21%	0.211	C	C	.	.	S	Bend	trans	-78.2	164.7	174.8	-69.5	-97.2	0	0	0	111.1	I40 C80 I82 F125 T126 M128 G132	I40-Y130 WeakPolarHBondContact CG2-OH 3.49Å; C80-Y130 HydrophobicContact CB-CD2 4.28Å; C80-Y130 HydrophobicContact CB-CE2 3.57Å; C80-Y130 WeakPolarHBondContact SG-CE2 3.44Å; I82-Y130 HydrophobicContact CB-CD1 4.13Å; I82-Y130 WeakPolarHBondContact O-CD1 3.11Å; I82-Y130 WeakPolarHBondContact O-CE1 3.38Å; F125-Y130 CarbonylContact C-O 3.58Å; F125-Y130 WeakPolarHBondContact CA-O 3.4Å; F125-Y130 WeakPolarHBondContact CB-O 3.36Å; T126-Y130 PolarHBondContact N-O 2.79Å; T126-Y130 WeakPolarHBondContact OG1-CB 3.37Å; T126-Y130 PolarHBondContact OG1-N 3.42Å; M128-Y130 HydrophobicContact CB-CD2 4.04Å; M128-Y130 HydrophobicContact CB-CE2 4.08Å; Y130-G132 PolarHBondContact O-N 3.36Å; Y130-G132 VanDerWaalsContact O-N 3.1Å
131	P	98.9	Very high	98.8	Very high	42 Å²	42	38 Å²	38	27%	0.273	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-52.4	118.2	179.5	-28.3	34.8	0	0	0	113.2	I82 R85 L91	I82-P131 WeakPolarHBondContact CD1-O 3.37Å; I82-P131 HydrophobicContact CG2-CB 4.24Å; I82-P131 HydrophobicContact CG2-CG 3.84Å; R85-P131 HydrophobicContact CG-CB 4.46Å; L91-P131 HydrophobicContact CD2-CB 4.42Å
132	G	98.8	Very high	98.8	Very high	3 Å²	3	38 Å²	38	3%	0.031	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-79	165.9	178.2	0	0	0	0	0	113	R85 G123 N124 Y130	R85-G132 PolarHBondContact NH2-O 2.97Å; G123-G132 CarbonylContact O-C 3.51Å; G123-G132 WeakPolarHBondContact O-CA 3.22Å; N124-G132 PolarHBondContact O-N 3.38Å; Y130-G132 PolarHBondContact O-N 3.36Å; Y130-G132 VanDerWaalsContact O-N 3.1Å
133	T	98.9	Very high	98.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.232	C	C	.	.			trans	-96.7	85.1	171.1	-56.5	0	0	0	0	108.8	D121 M122 G123 K137 V138 D141 M172	D121-T133 WeakPolarHBondContact O-CA 3.41Å; D121-T133 VanDerWaalsContact O-CB 3.26Å; D121-T133 WeakPolarHBondContact O-CB 3.17Å; D121-T133 PolarHBondContact O-N 2.9Å; M122-T133 WeakPolarHBondContact CE-O 3.38Å; G123-T133 PolarHBondContact N-O 3.31Å; G123-T133 CarbonylContact O-C 3.46Å; G123-T133 PolarHBondContact O-N 2.93Å; T133-K137 HydrophobicContact CG2-CB 4.37Å; T133-V138 HydrophobicContact CG2-CG2 4.08Å; T133-D141 HydrophobicContact CG2-CB 4.07Å; T133-D141 WeakPolarHBondContact CG2-OD2 3.4Å; T133-D141 PolarHBondContact OG1-OD2 2.83Å; T133-D141 VanDerWaalsContact OG1-OD2 3.09Å; T133-M172 HydrophobicContact CG2-CE 3.77Å
134	T	98.9	Very high	98.8	Very high	32 Å²	32	42.6 Å²	42.6	20%	0.196	23%	0.231	C	C	.	.			trans	-67.1	165.3	173.8	49.1	0	0	0	0	111.3	G123 N124 D136 K137 V138	G123-T134 WeakPolarHBondContact O-CG2 3.45Å; G123-T134 PolarHBondContact O-N 3.39Å; N124-T134 WeakPolarHBondContact OD1-CG2 3.43Å; T134-D136 WeakPolarHBondContact CB-OD1 3.5Å; T134-D136 PolarHBondContact O-N 3.09Å; T134-D136 VanDerWaalsContact O-N 3.1Å; T134-D136 PolarHBondContact OG1-OD1 3.17Å; T134-K137 WeakPolarHBondContact O-CA 3.35Å; T134-K137 PolarHBondContact O-N 2.97Å; T134-V138 PolarHBondContact O-N 3.06Å; T134-V138 VanDerWaalsContact O-N 3.16Å
135	L	98.8	Very high	98.8	Very high	42 Å²	42	38.5 Å²	38.5	22%	0.22	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.4	-176.8	-73.3	173.6	0	0	0	113.3	M122 K137 E164 Q167 K171	M122-L135 HydrophobicContact CE-CD2 3.78Å; M122-L135 HydrophobicContact CE-CG 4Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-E164 HydrophobicContact CD1-CG 4.15Å; L135-Q167 HydrophobicContact CD2-CB 4.02Å; L135-K171 HydrophobicContact CD2-CD 4.49Å; L135-K171 WeakPolarHBondContact O-CE 3.27Å; L135-K171 PolarHBondContact O-NZ 3.48Å
136	D	98.7	Very high	98.8	Very high	115 Å²	115	34.3 Å²	34.3	62%	0.615	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.6	176.6	64.8	-53.5	0	0	0	113.6	T134	T134-D136 WeakPolarHBondContact CB-OD1 3.5Å; T134-D136 PolarHBondContact O-N 3.09Å; T134-D136 VanDerWaalsContact O-N 3.1Å; T134-D136 PolarHBondContact OG1-OD1 3.17Å
137	K	98.9	Very high	98.8	Very high	40 Å²	40	39.9 Å²	39.9	17%	0.174	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-17.7	-179.8	-64.5	-56.5	-173.4	-174.9	0	115.1	T133 T134 L135 V139 Q140 D141	T133-K137 HydrophobicContact CG2-CB 4.37Å; T134-K137 WeakPolarHBondContact O-CA 3.35Å; T134-K137 PolarHBondContact O-N 2.97Å; L135-K137 VanDerWaalsContact C-N 3.31Å; K137-V139 VanDerWaalsContact C-N 3.28Å; K137-V139 PolarHBondContact O-N 2.95Å; K137-V139 VanDerWaalsContact O-N 3.1Å; K137-Q140 PolarHBondContact O-N 2.92Å; K137-D141 PolarHBondContact O-N 3.27Å
138	V	98.9	Very high	98.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-44	-49.5	-178.9	171.5	0	0	0	0	113.5	M122 T133 T134 A142 K171 M172 A175	M122-V138 HydrophobicContact CE-CG2 4.12Å; M122-V138 HydrophobicContact SD-CG2 3.79Å; T133-V138 HydrophobicContact CG2-CG2 4.08Å; T134-V138 PolarHBondContact O-N 3.06Å; T134-V138 VanDerWaalsContact O-N 3.16Å; V138-A142 VanDerWaalsContact O-CB 3.31Å; V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 2.84Å; V138-K171 HydrophobicContact CB-CD 4.1Å; V138-K171 HydrophobicContact CB-CG 4.24Å; V138-K171 HydrophobicContact CG1-CB 4.13Å; V138-K171 HydrophobicContact CG1-CD 4.16Å; V138-K171 HydrophobicContact CG1-CG 3.74Å; V138-K171 HydrophobicContact CG2-CD 4.29Å; V138-M172 HydrophobicContact CB-CE 4.38Å; V138-M172 VanDerWaalsContact CG1-CA 3.49Å; V138-M172 HydrophobicContact CG1-CB 3.97Å; V138-M172 HydrophobicContact CG1-CE 3.93Å; V138-M172 HydrophobicContact CG1-SD 4.1Å; V138-M172 HydrophobicContact CG2-CE 4.49Å; V138-A175 HydrophobicContact CG1-CB 4.1Å
139	V	98.9	Very high	98.9	Very high	66 Å²	66	39.2 Å²	39.2	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-70.7	-43.3	-177.7	177.9	0	0	0	0	111.7	K137 D141 Q143 A175	K137-V139 VanDerWaalsContact C-N 3.28Å; K137-V139 PolarHBondContact O-N 2.95Å; K137-V139 VanDerWaalsContact O-N 3.1Å; V139-D141 VanDerWaalsContact C-N 3.34Å; V139-D141 PolarHBondContact O-N 3.07Å; V139-Q143 VanDerWaalsContact O-CG 3.32Å; V139-Q143 WeakPolarHBondContact O-CG 3.49Å; V139-Q143 PolarHBondContact O-N 2.77Å; V139-A175 HydrophobicContact CG2-CB 4.28Å
140	Q	98.9	Very high	98.9	Very high	46 Å²	46	37.2 Å²	37.2	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-41.6	179.6	-179.9	172.9	25.1	0	0	111.3	S88 G89 K137 T144	S88-Q140 PolarHBondContact O-NE2 3.22Å; G89-Q140 PolarHBondContact O-OE1 2.97Å; K137-Q140 PolarHBondContact O-N 2.92Å; Q140-T144 WeakPolarHBondContact O-CB 3.21Å; Q140-T144 PolarHBondContact O-N 2.8Å; Q140-T144 PolarHBondContact O-OG1 2.83Å
141	D	98.9	Very high	98.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-74.2	-39.5	-178.2	-67.4	-13.2	0	0	0	110.9	R85 L91 T133 K137 V139 Q143 T144 F145	R85-D141 IonicContact CZ-OD1 3.47Å; R85-D141 IonicContact CZ-OD2 3.18Å; R85-D141 IonicContact NH1-OD1 3.33Å; R85-D141 PolarHBondContact NH1-OD1 3.27Å; R85-D141 IonicContact NH1-OD2 2.73Å; R85-D141 PolarHBondContact NH1-OD2 3.04Å; R85-D141 IonicContact NH2-OD1 3.04Å; R85-D141 IonicContact NH2-OD2 3.05Å; R85-D141 PolarHBondContact NH2-OD2 3.44Å; L91-D141 HydrophobicContact CD1-CB 4.19Å; T133-D141 HydrophobicContact CG2-CB 4.07Å; T133-D141 WeakPolarHBondContact CG2-OD2 3.4Å; T133-D141 PolarHBondContact OG1-OD2 2.83Å; T133-D141 VanDerWaalsContact OG1-OD2 3.09Å; K137-D141 PolarHBondContact O-N 3.27Å; V139-D141 VanDerWaalsContact C-N 3.34Å; V139-D141 PolarHBondContact O-N 3.07Å; D141-Q143 VanDerWaalsContact C-N 3.34Å; D141-Q143 PolarHBondContact O-N 3.42Å; D141-T144 WeakPolarHBondContact O-CB 3.43Å; D141-T144 PolarHBondContact O-N 3.02Å; D141-T144 VanDerWaalsContact O-N 3.15Å; D141-F145 HydrophobicContact CB-CE2 3.97Å; D141-F145 HydrophobicContact CB-CZ 4.17Å; D141-F145 WeakPolarHBondContact O-CD2 3.28Å; D141-F145 WeakPolarHBondContact O-CG 3.1Å; D141-F145 PolarHBondContact O-N 2.8Å
142	A	98.9	Very high	98.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.5	-46.6	171.3	0	0	0	0	0	112.3	V138 F145 A146 M172 A175 L176 T179	V138-A142 VanDerWaalsContact O-CB 3.31Å; V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 2.84Å; A142-F145 PolarHBondContact O-N 2.93Å; A142-A146 PolarHBondContact O-N 3.49Å; A142-M172 HydrophobicContact CB-SD 3.88Å; A142-A175 HydrophobicContact CB-CB 3.64Å; A142-L176 HydrophobicContact CB-CD2 4.05Å; A142-L176 HydrophobicContact CB-CG 4.43Å; A142-T179 HydrophobicContact CB-CG2 4.44Å
143	Q	98.9	Very high	98.9	Very high	100 Å²	100	34 Å²	34	47%	0.467	17%	0.17	S	C	.	.	H	α-helix	trans	-61.6	-43.8	174.9	-72.6	170.6	-15.8	0	0	111.6	V139 D141 F145 A146 E147	V139-Q143 VanDerWaalsContact O-CG 3.32Å; V139-Q143 WeakPolarHBondContact O-CG 3.49Å; V139-Q143 PolarHBondContact O-N 2.77Å; D141-Q143 VanDerWaalsContact C-N 3.34Å; D141-Q143 PolarHBondContact O-N 3.42Å; Q143-F145 VanDerWaalsContact C-N 3.34Å; Q143-F145 PolarHBondContact O-N 2.91Å; Q143-A146 PolarHBondContact O-N 3.2Å; Q143-E147 WeakPolarHBondContact O-CB 3.13Å; Q143-E147 VanDerWaalsContact O-CG 3.25Å; Q143-E147 WeakPolarHBondContact O-CG 3.5Å; Q143-E147 PolarHBondContact O-N 3.15Å
144	T	98.9	Very high	98.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-56.6	-47.5	177.4	-63.8	0	0	0	0	111.5	R90 Q140 D141 E147 W148	R90-T144 HydrophobicContact CG-CG2 4.01Å; R90-T144 WeakPolarHBondContact CG-OG1 3.3Å; R90-T144 PolarHBondContact NH1-OG1 2.83Å; Q140-T144 WeakPolarHBondContact O-CB 3.21Å; Q140-T144 PolarHBondContact O-N 2.8Å; Q140-T144 PolarHBondContact O-OG1 2.83Å; D141-T144 WeakPolarHBondContact O-CB 3.43Å; D141-T144 PolarHBondContact O-N 3.02Å; D141-T144 VanDerWaalsContact O-N 3.15Å; T144-E147 PolarHBondContact O-N 3.15Å; T144-W148 HydrophobicContact CG2-CD2 3.86Å; T144-W148 HydrophobicContact CG2-CE3 3.97Å; T144-W148 HydrophobicContact CG2-CH2 3.68Å; T144-W148 HydrophobicContact CG2-CZ2 3.56Å; T144-W148 HydrophobicContact CG2-CZ3 3.88Å; T144-W148 WeakPolarHBondContact O-CB 3.3Å; T144-W148 PolarHBondContact O-N 3.34Å
145	F	98.9	Very high	98.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-41	179.4	-57	-39.1	0	0	0	112.4	W81 L91 I118 A120 D141 A142 Q143 W148 K149 V150 L153	W81-F145 HydrophobicContact CH2-CE1 4.34Å; W81-F145 HydrophobicContact CZ2-CE1 4.12Å; L91-F145 HydrophobicContact CD1-CE1 3.92Å; L91-F145 HydrophobicContact CD1-CZ 3.71Å; I118-F145 HydrophobicContact CD1-CD1 4.14Å; I118-F145 HydrophobicContact CD1-CE1 4.07Å; I118-F145 HydrophobicContact CG2-CD1 3.82Å; I118-F145 HydrophobicContact CG2-CD2 4.46Å; I118-F145 HydrophobicContact CG2-CE1 3.97Å; I118-F145 HydrophobicContact CG2-CG 4.1Å; I118-F145 HydrophobicContact CG2-CZ 4.36Å; A120-F145 HydrophobicContact CB-CE2 4.24Å; A120-F145 HydrophobicContact CB-CZ 4.1Å; D141-F145 HydrophobicContact CB-CE2 3.97Å; D141-F145 HydrophobicContact CB-CZ 4.17Å; D141-F145 WeakPolarHBondContact O-CD2 3.28Å; D141-F145 WeakPolarHBondContact O-CG 3.1Å; D141-F145 PolarHBondContact O-N 2.8Å; A142-F145 PolarHBondContact O-N 2.93Å; Q143-F145 VanDerWaalsContact C-N 3.34Å; Q143-F145 PolarHBondContact O-N 2.91Å; F145-W148 HydrophobicContact CD1-CE3 4.2Å; F145-W148 HydrophobicContact CD1-CZ3 4.33Å; F145-W148 HydrophobicContact CE1-CZ3 4.39Å; F145-W148 CarbonylContact O-C 3.56Å; F145-W148 PolarHBondContact O-N 3.21Å; F145-K149 PolarHBondContact O-N 3.46Å; F145-V150 HydrophobicContact CB-CB 4.13Å; F145-V150 HydrophobicContact CB-CG2 4.2Å; F145-V150 WeakPolarHBondContact O-CB 3.27Å; F145-V150 PolarHBondContact O-N 3.35Å; F145-L153 HydrophobicContact CD2-CD1 4.11Å; F145-L153 HydrophobicContact CD2-CD2 4.25Å; F145-L153 HydrophobicContact CE2-CD1 3.82Å; F145-L153 HydrophobicContact CE2-CD2 4.22Å; F145-L153 HydrophobicContact CZ-CD1 4.4Å
146	A	98.9	Very high	98.9	Very high	15 Å²	15	31.9 Å²	31.9	12%	0.124	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-41.7	176.9	0	0	0	0	0	112.5	A142 Q143 W148 K149 T179 R181 I183	A142-A146 PolarHBondContact O-N 3.49Å; Q143-A146 PolarHBondContact O-N 3.2Å; A146-W148 VanDerWaalsContact C-N 3.32Å; A146-W148 PolarHBondContact O-N 3.05Å; A146-K149 WeakPolarHBondContact O-CA 3.45Å; A146-K149 PolarHBondContact O-N 3.42Å; A146-T179 VanDerWaalsContact CB-CB 3.46Å; A146-T179 HydrophobicContact CB-CG2 3.68Å; A146-T179 WeakPolarHBondContact CB-OG1 3.5Å; A146-R181 HydrophobicContact CB-CB 4.11Å; A146-I183 HydrophobicContact CB-CD1 4.15Å
147	E	98.9	Very high	98.9	Very high	118 Å²	118	26.5 Å²	26.5	55%	0.551	13%	0.129	S	C	*	.	H	α-helix	trans	-63.9	-36.2	174.9	-73.1	168.5	-172.3	0	0	112.3	R90 Q143 T144 K149	R90-E147 IonicContact CZ-OE2 3.37Å; R90-E147 IonicContact NH1-OE2 2.71Å; R90-E147 PolarHBondContact NH1-OE2 3.17Å; R90-E147 IonicContact NH2-OE2 2.82Å; R90-E147 PolarHBondContact NH2-OE2 3.14Å; Q143-E147 WeakPolarHBondContact O-CB 3.13Å; Q143-E147 VanDerWaalsContact O-CG 3.25Å; Q143-E147 WeakPolarHBondContact O-CG 3.5Å; Q143-E147 PolarHBondContact O-N 3.15Å; T144-E147 PolarHBondContact O-N 3.15Å; E147-K149 PolarHBondContact O-N 2.9Å
148	W	98.9	Very high	98.9	Very high	21 Å²	21	25.8 Å²	25.8	8%	0.08	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	1.6	172.2	-66.6	-9	0	0	0	113.8	W81 R90 L91 I102 P103 A106 I118 T144 F145 A146 V150	W81-W148 AromaticContact CH2-CH2 3.93Å; W81-W148 HydrophobicContact CH2-CH2 3.93Å; W81-W148 AromaticContact CH2-CZ3 3.56Å; W81-W148 HydrophobicContact CH2-CZ3 3.56Å; W81-W148 AromaticContact CZ3-CH2 3.97Å; W81-W148 HydrophobicContact CZ3-CH2 3.97Å; W81-W148 AromaticContact CZ3-CZ3 3.78Å; W81-W148 HydrophobicContact CZ3-CZ3 3.78Å; R90-W148 VanDerWaalsContact NH2-NE1 3.14Å; L91-W148 HydrophobicContact CB-CH2 4.28Å; L91-W148 VanDerWaalsContact O-CH2 3.28Å; L91-W148 WeakPolarHBondContact O-CH2 3.43Å; L91-W148 VanDerWaalsContact O-CZ2 3.32Å; L91-W148 WeakPolarHBondContact O-CZ2 3.45Å; I102-W148 HydrophobicContact CB-CD2 3.93Å; I102-W148 HydrophobicContact CB-CE3 3.63Å; I102-W148 HydrophobicContact CB-CG 4.45Å; I102-W148 HydrophobicContact CB-CZ3 3.97Å; I102-W148 HydrophobicContact CG1-CE3 3.95Å; I102-W148 HydrophobicContact CG1-CH2 4.26Å; I102-W148 HydrophobicContact CG1-CZ3 3.76Å; I102-W148 HydrophobicContact CG2-CB 4.2Å; I102-W148 HydrophobicContact CG2-CD2 4.12Å; I102-W148 HydrophobicContact CG2-CE3 3.62Å; I102-W148 HydrophobicContact CG2-CG 4.41Å; I102-W148 HydrophobicContact CG2-CZ3 4.28Å; P103-W148 HydrophobicContact CG-CB 4.45Å; P103-W148 VanDerWaalsContact CG-CD1 3.41Å; P103-W148 HydrophobicContact CG-CG 3.95Å; A106-W148 WeakPolarHBondContact CB-O 3.4Å; I118-W148 HydrophobicContact CD1-CE3 4.25Å; I118-W148 HydrophobicContact CD1-CZ3 4.12Å; T144-W148 HydrophobicContact CG2-CD2 3.86Å; T144-W148 HydrophobicContact CG2-CE3 3.97Å; T144-W148 HydrophobicContact CG2-CH2 3.68Å; T144-W148 HydrophobicContact CG2-CZ2 3.56Å; T144-W148 HydrophobicContact CG2-CZ3 3.88Å; T144-W148 WeakPolarHBondContact O-CB 3.3Å; T144-W148 PolarHBondContact O-N 3.34Å; F145-W148 HydrophobicContact CD1-CE3 4.2Å; F145-W148 HydrophobicContact CD1-CZ3 4.33Å; F145-W148 HydrophobicContact CE1-CZ3 4.39Å; F145-W148 CarbonylContact O-C 3.56Å; F145-W148 PolarHBondContact O-N 3.21Å; A146-W148 VanDerWaalsContact C-N 3.32Å; A146-W148 PolarHBondContact O-N 3.05Å; W148-V150 VanDerWaalsContact C-N 3.28Å; W148-V150 HydrophobicContact CB-CG2 4.28Å; W148-V150 PolarHBondContact O-N 2.97Å
149	K	98.9	Very high	98.9	Very high	100 Å²	100	31.2 Å²	31.2	44%	0.435	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	34	179.8	-48.6	174.4	-177.4	-128.5	0	113.5	H110 F145 A146 E147 R181	H110-K149 PolarHBondContact CE1-O 3.47Å; H110-K149 PolarHBondContact NE2-O 2.87Å; F145-K149 PolarHBondContact O-N 3.46Å; A146-K149 WeakPolarHBondContact O-CA 3.45Å; A146-K149 PolarHBondContact O-N 3.42Å; E147-K149 PolarHBondContact O-N 2.9Å; K149-R181 PolarHBondContact O-NH2 3.41Å
150	V	98.9	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.			trans	-64.3	145.2	171.4	172.2	0	0	0	0	110.4	I118 F145 W148 M152 R181 I183	I118-V150 HydrophobicContact CB-CG1 4.02Å; I118-V150 HydrophobicContact CB-CG2 4.24Å; I118-V150 HydrophobicContact CD1-CG2 4.37Å; I118-V150 HydrophobicContact CG2-CG1 3.69Å; I118-V150 HydrophobicContact CG2-CG2 4.17Å; F145-V150 HydrophobicContact CB-CB 4.13Å; F145-V150 HydrophobicContact CB-CG2 4.2Å; F145-V150 WeakPolarHBondContact O-CB 3.27Å; F145-V150 PolarHBondContact O-N 3.35Å; W148-V150 VanDerWaalsContact C-N 3.28Å; W148-V150 HydrophobicContact CB-CG2 4.28Å; W148-V150 PolarHBondContact O-N 2.97Å; V150-M152 WeakPolarHBondContact CG1-O 3.44Å; V150-R181 WeakPolarHBondContact O-CD 3.43Å; V150-R181 PolarHBondContact O-NE 3.14Å; V150-I183 WeakPolarHBondContact O-CG1 3.42Å
151	D	98.9	Very high	98.8	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.07	15%	0.153	C	C	.	.			trans	-109.5	-16.7	-176.6	-58.4	-68.8	0	0	0	114	Y74 H110 K115 L116 R181 A184	Y74-D151 HydrophobicContact CE1-CB 4.32Å; H110-D151 IonicContact CD2-OD2 2.68Å; H110-D151 IonicContact CE1-OD2 3.75Å; H110-D151 IonicContact NE2-OD1 3.72Å; H110-D151 IonicContact NE2-OD2 2.6Å; H110-D151 PolarHBondContact NE2-OD2 3.39Å; K115-D151 VanDerWaalsContact CA-OD2 3.29Å; K115-D151 WeakPolarHBondContact CA-OD2 3.4Å; K115-D151 HydrophobicContact CB-CB 3.75Å; K115-D151 HydrophobicContact CD-CB 4.44Å; K115-D151 HydrophobicContact CG-CB 4.23Å; L116-D151 PolarHBondContact N-OD2 2.91Å; L116-D151 PolarHBondContact O-N 3.04Å; D151-R181 IonicContact OD1-CZ 3.54Å; D151-R181 IonicContact OD1-NH2 2.68Å; D151-R181 PolarHBondContact OD1-NH2 3.33Å; D151-A184 PolarHBondContact O-N 2.84Å
152	M	98.9	Very high	98.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	140.3	177.8	-178.4	170	175.7	0	0	110.9	Y74 N76 L116 G117 I118 V150 A184 L211	Y74-M152 HydrophobicContact CD1-CB 3.87Å; Y74-M152 HydrophobicContact CD1-SD 3.91Å; Y74-M152 HydrophobicContact CE1-CB 3.79Å; Y74-M152 HydrophobicContact CE1-SD 4.19Å; Y74-M152 HydrophobicContact CG-SD 4.34Å; N76-M152 PolarHBondContact ND2-SD 3.23Å; N76-M152 VanDerWaalsContact ND2-SD 3.36Å; L116-M152 PolarHBondContact O-N 3.29Å; G117-M152 CarbonylContact C-O 3.56Å; G117-M152 VanDerWaalsContact CA-O 3.24Å; G117-M152 WeakPolarHBondContact CA-O 3.25Å; I118-M152 PolarHBondContact N-O 3.47Å; V150-M152 WeakPolarHBondContact CG1-O 3.44Å; M152-A184 CarbonylContact C-O 3.44Å; M152-A184 VanDerWaalsContact CA-O 3.23Å; M152-A184 WeakPolarHBondContact CA-O 3.46Å; M152-A184 HydrophobicContact CB-CB 4.09Å; M152-A184 HydrophobicContact CG-CB 3.98Å; M152-A184 WeakPolarHBondContact CG-O 3.37Å; M152-L211 HydrophobicContact CE-CD1 4.24Å; M152-L211 HydrophobicContact CE-CD2 3.92Å
153	L	98.9	Very high	98.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123	171.4	177.2	65	0	0	0	109.4	I118 A120 F145 M172 L176 I183 A184 F185 S186	I118-L153 HydrophobicContact CG2-CD1 3.76Å; I118-L153 WeakPolarHBondContact O-CA 3.29Å; A120-L153 HydrophobicContact CB-CD1 3.96Å; F145-L153 HydrophobicContact CD2-CD1 4.11Å; F145-L153 HydrophobicContact CD2-CD2 4.25Å; F145-L153 HydrophobicContact CE2-CD1 3.82Å; F145-L153 HydrophobicContact CE2-CD2 4.22Å; F145-L153 HydrophobicContact CZ-CD1 4.4Å; L153-M172 HydrophobicContact CD2-CE 4.21Å; L153-M172 HydrophobicContact CD2-CG 3.93Å; L153-M172 HydrophobicContact CD2-SD 3.88Å; L153-L176 HydrophobicContact CD2-CD1 4.14Å; L153-L176 HydrophobicContact CD2-CD2 4.33Å; L153-I183 HydrophobicContact CB-CG2 4.13Å; L153-A184 PolarHBondContact N-O 3.18Å; L153-F185 HydrophobicContact CB-CD2 4.29Å; L153-F185 HydrophobicContact CD2-CD2 4.23Å; L153-F185 HydrophobicContact CD2-CE2 4.01Å; L153-F185 HydrophobicContact CG-CD2 4.36Å; L153-F185 HydrophobicContact CG-CE2 4.39Å; L153-S186 PolarHBondContact O-N 3.44Å
154	K	98.9	Very high	98.8	Very high	17 Å²	17	37.2 Å²	37.2	7%	0.074	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.8	157.1	176	179.3	160.7	-162	0	108.3	D78 I118 Y119 A120 S186	D78-K154 IonicContact OD1-NZ 3.69Å; D78-K154 PolarHBondContact OD1-NZ 3.43Å; D78-K154 WeakPolarHBondContact OD2-CD 3.24Å; D78-K154 IonicContact OD2-NZ 2.69Å; D78-K154 PolarHBondContact OD2-NZ 3.07Å; I118-K154 PolarHBondContact O-N 2.68Å; Y119-K154 WeakPolarHBondContact CA-O 3.44Å; Y119-K154 HydrophobicContact CD2-CB 4.35Å; Y119-K154 HydrophobicContact CD2-CD 3.88Å; Y119-K154 HydrophobicContact CD2-CG 4.04Å; Y119-K154 HydrophobicContact CE2-CD 4.26Å; Y119-K154 HydrophobicContact CE2-CG 4.47Å; A120-K154 PolarHBondContact N-O 3.27Å; K154-S186 WeakPolarHBondContact CA-O 3.34Å
155	L	98.9	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.5	174.2	-173.4	72.4	0	0	0	110.3	A120 M122 Y169 M172 F185 S186 S188	A120-L155 HydrophobicContact CB-CD1 3.82Å; A120-L155 WeakPolarHBondContact O-CA 3.44Å; M122-L155 HydrophobicContact CB-CD1 4.13Å; M122-L155 HydrophobicContact CB-CD2 3.84Å; M122-L155 HydrophobicContact CB-CG 3.86Å; M122-L155 HydrophobicContact CG-CD2 4.37Å; M122-L155 HydrophobicContact SD-CD2 4.47Å; L155-Y169 HydrophobicContact CB-CE1 4.11Å; L155-Y169 HydrophobicContact CD2-CD1 3.91Å; L155-Y169 HydrophobicContact CD2-CE1 3.88Å; L155-Y169 HydrophobicContact CG-CE1 4.07Å; L155-Y169 VanDerWaalsContact O-CE1 3.28Å; L155-Y169 WeakPolarHBondContact O-CE1 3.46Å; L155-Y169 PolarHBondContact O-OH 3.12Å; L155-M172 HydrophobicContact CD1-CE 4.29Å; L155-M172 HydrophobicContact CD2-CB 3.83Å; L155-M172 HydrophobicContact CD2-CE 4.49Å; L155-M172 HydrophobicContact CD2-CG 3.93Å; L155-F185 HydrophobicContact CB-CE2 3.56Å; L155-F185 HydrophobicContact CB-CZ 4.1Å; L155-F185 HydrophobicContact CD2-CE2 4Å; L155-F185 HydrophobicContact CD2-CZ 3.76Å; L155-F185 HydrophobicContact CG-CE2 4.43Å; L155-S186 PolarHBondContact N-O 3.28Å; L155-S188 PolarHBondContact O-N 2.87Å; L155-S188 VanDerWaalsContact O-N 3.07Å
156	D	98.8	Very high	98.7	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.08	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-178.9	-179.8	-137.3	-5.2	0	0	0	112.6	Y119 A120 D121 M122 C127 Y169 S188 Y192	Y119-D156 HydrophobicContact CE2-CB 3.6Å; Y119-D156 WeakPolarHBondContact CE2-OD2 3.41Å; Y119-D156 WeakPolarHBondContact OH-CB 3.48Å; Y119-D156 PolarHBondContact OH-OD2 2.65Å; A120-D156 PolarHBondContact O-N 2.65Å; D121-D156 HydrophobicContact CB-CB 4.15Å; D121-D156 WeakPolarHBondContact OD2-CB 3.5Å; M122-D156 WeakPolarHBondContact CB-O 3.38Å; M122-D156 PolarHBondContact N-O 3.42Å; C127-D156 PolarHBondContact SG-OD2 2.87Å; C127-D156 VanDerWaalsContact SG-OD2 3.37Å; D156-Y169 VanDerWaalsContact C-OH 3.28Å; D156-Y169 PolarHBondContact O-OH 2.95Å; D156-S188 WeakPolarHBondContact OD1-CB 3.3Å; D156-S188 PolarHBondContact OD1-OG 2.87Å; D156-Y192 WeakPolarHBondContact OD1-CE2 3.36Å; D156-Y192 PolarHBondContact OD1-OH 3.12Å
157	G	98.5	Very high	98.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	23%	0.23	C	C	.	.			trans	-139.2	22	-172.1	0	0	0	0	0	115.6	S160 Y192	G157-S160 PolarHBondContact O-OG 3.31Å; G157-Y192 VanDerWaalsContact C-CE1 3.42Å; G157-Y192 VanDerWaalsContact C-CZ 3.44Å; G157-Y192 WeakPolarHBondContact O-CD1 3.43Å; G157-Y192 WeakPolarHBondContact O-CE1 3.3Å
158	C	98.4	Very high	98.7	Very high	26 Å²	26	38.8 Å²	38.8	18%	0.176	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	164.1	173.6	-73.8	0	0	0	0	111.3	D121 C127 S160 Y192	D121-C158 PolarHBondContact OD1-N 3.31Å; D121-C158 WeakPolarHBondContact OD2-CA 3.46Å; D121-C158 VanDerWaalsContact OD2-CB 3.25Å; D121-C158 WeakPolarHBondContact OD2-CB 3.44Å; D121-C158 PolarHBondContact OD2-N 2.94Å; C127-C158 VanDerWaalsContact CA-SG 3.5Å; C127-C158 HydrophobicContact CB-CB 3.92Å; C127-C158 WeakPolarHBondContact CB-SG 3.36Å; C127-C158 WeakPolarHBondContact SG-CB 3.17Å; C127-C158 CovalentContact SG-SG 2.04Å; C127-C158 PolarHBondContact SG-SG 2.91Å; C158-S160 PolarHBondContact O-N 3.25Å; C158-Y192 PolarHBondContact N-OH 3.45Å; C158-Y192 PolarHBondContact SG-OH 3.28Å
159	F	98.6	Very high	98.7	Very high	113 Å²	113	37.8 Å²	37.8	50%	0.496	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	35.6	173.8	-58.3	-79.9	0	0	0	115.9	N124 F125 T126	N124-F159 HydrophobicContact CB-CB 4.3Å; N124-F159 PolarHBondContact N-O 2.89Å; N124-F159 VanDerWaalsContact N-O 3.13Å; F125-F159 HydrophobicContact CB-CB 4.48Å; F125-F159 HydrophobicContact CB-CD2 3.79Å; F125-F159 HydrophobicContact CB-CE2 4.22Å; F125-F159 HydrophobicContact CB-CG 4.13Å; F125-F159 HydrophobicContact CD2-CD1 4.46Å; F125-F159 HydrophobicContact CD2-CG 4.37Å; F125-F159 WeakPolarHBondContact O-CD2 3.17Å; T126-F159 WeakPolarHBondContact O-CD2 3.31Å; T126-F159 WeakPolarHBondContact O-CE2 3.17Å
160	S	98.6	Very high	98.7	Very high	22 Å²	22	34.9 Å²	34.9	15%	0.154	19%	0.192	C	C	.	.			trans	-135.4	156.7	177.7	60	0	0	0	0	112.3	M122 G157 C158 E164 R165	M122-S160 WeakPolarHBondContact O-CB 3.48Å; M122-S160 PolarHBondContact O-OG 3.22Å; M122-S160 VanDerWaalsContact O-OG 3.11Å; G157-S160 PolarHBondContact O-OG 3.31Å; C158-S160 PolarHBondContact O-N 3.25Å; S160-E164 WeakPolarHBondContact CA-OE2 3.44Å; S160-R165 PolarHBondContact O-NH1 3.5Å; S160-R165 WeakPolarHBondContact OG-CG 3.5Å; S160-R165 PolarHBondContact OG-NH1 2.92Å
161	T	98.7	Very high	98.7	Very high	76 Å²	76	38.9 Å²	38.9	47%	0.466	21%	0.209	S	C	.	.			trans	-85.9	162.7	171	63.3	0	0	0	0	111.1	E163 E164 R165	T161-E163 PolarHBondContact O-N 2.94Å; T161-E164 WeakPolarHBondContact CB-OE2 3.36Å; T161-E164 PolarHBondContact N-OE2 2.85Å; T161-E164 PolarHBondContact O-N 3.17Å; T161-E164 WeakPolarHBondContact OG1-CB 3.23Å; T161-E164 VanDerWaalsContact OG1-CG 3.27Å; T161-E164 WeakPolarHBondContact OG1-CG 3.04Å; T161-E164 PolarHBondContact OG1-N 3.49Å; T161-E164 PolarHBondContact OG1-OE2 3.15Å; T161-R165 PolarHBondContact O-N 2.94Å; T161-R165 VanDerWaalsContact O-N 3.11Å
162	A	98.1	Very high	98.7	Very high	46 Å²	46	38.3 Å²	38.3	38%	0.38	21%	0.206	S	C	.	.	H	α-helix	trans	-60.5	-34.3	174.8	0	0	0	0	0	112.3	A166	A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.27Å
163	E	98.4	Very high	98.7	Very high	138 Å²	138	38.5 Å²	38.5	65%	0.645	21%	0.208	S	C	*	.	H	α-helix	trans	-69.9	-42.8	177.8	-175.4	169.9	-177.1	0	0	112	T161 R165 A166 Q167	T161-E163 PolarHBondContact O-N 2.94Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3.29Å; E163-A166 PolarHBondContact O-N 3.45Å; E163-Q167 WeakPolarHBondContact O-CG 3.33Å; E163-Q167 PolarHBondContact O-N 2.86Å; E163-Q167 PolarHBondContact OE1-NE2 3.32Å
164	E	98.7	Very high	98.7	Very high	57 Å²	57	41 Å²	41	27%	0.266	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-41	175.1	-74.7	163.5	146.9	0	0	111.8	L135 S160 T161 Q167 G168	L135-E164 HydrophobicContact CD1-CG 4.15Å; S160-E164 WeakPolarHBondContact CA-OE2 3.44Å; T161-E164 WeakPolarHBondContact CB-OE2 3.36Å; T161-E164 PolarHBondContact N-OE2 2.85Å; T161-E164 PolarHBondContact O-N 3.17Å; T161-E164 WeakPolarHBondContact OG1-CB 3.23Å; T161-E164 VanDerWaalsContact OG1-CG 3.27Å; T161-E164 WeakPolarHBondContact OG1-CG 3.04Å; T161-E164 PolarHBondContact OG1-N 3.49Å; T161-E164 PolarHBondContact OG1-OE2 3.15Å; E164-Q167 PolarHBondContact O-N 3.43Å; E164-G168 VanDerWaalsContact O-CA 3.31Å; E164-G168 WeakPolarHBondContact O-CA 3.47Å; E164-G168 PolarHBondContact O-N 3.08Å
165	R	98.8	Very high	98.6	Very high	19 Å²	19	40.7 Å²	40.7	7%	0.072	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-43.3	174.6	-69.9	-172.1	-67.1	-84.8	1.4	111.9	S160 T161 E163 Q167 G168 Y169 E193	S160-R165 PolarHBondContact O-NH1 3.5Å; S160-R165 WeakPolarHBondContact OG-CG 3.5Å; S160-R165 PolarHBondContact OG-NH1 2.92Å; T161-R165 PolarHBondContact O-N 2.94Å; T161-R165 VanDerWaalsContact O-N 3.11Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3.29Å; R165-Q167 PolarHBondContact O-N 2.94Å; R165-G168 PolarHBondContact O-N 2.94Å; R165-Y169 HydrophobicContact CB-CD2 3.98Å; R165-Y169 HydrophobicContact CB-CE2 4Å; R165-Y169 HydrophobicContact CG-CD2 4.4Å; R165-Y169 HydrophobicContact CG-CE2 3.94Å; R165-Y169 WeakPolarHBondContact O-CD2 3.23Å; R165-Y169 PolarHBondContact O-N 3.18Å; R165-Y169 VanDerWaalsContact O-N 3.1Å; R165-E193 IonicContact CZ-OE1 2.64Å; R165-E193 IonicContact NE-OE1 3.42Å; R165-E193 PolarHBondContact NE-OE1 3.27Å; R165-E193 IonicContact NH2-OE1 3.93Å; R165-E193 PolarHBondContact NH2-OE1 3.09Å
166	A	98.3	Very high	98.6	Very high	50 Å²	50	40.9 Å²	40.9	41%	0.413	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-30.4	178	0	0	0	0	0	113.7	A162 E163 P170 W189	A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.27Å; E163-A166 PolarHBondContact O-N 3.45Å; A166-P170 WeakPolarHBondContact O-CD 3.41Å; A166-P170 WeakPolarHBondContact O-CG 3.42Å; A166-W189 VanDerWaalsContact CA-CZ2 3.4Å; A166-W189 HydrophobicContact CB-CH2 4.39Å; A166-W189 HydrophobicContact CB-CZ2 3.92Å
167	Q	98.6	Very high	98.6	Very high	98 Å²	98	43.3 Å²	43.3	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-87	-40.2	172.9	-63.5	177.8	25.3	0	0	112.2	L135 E163 E164 R165 K171	L135-Q167 HydrophobicContact CD2-CB 4.02Å; E163-Q167 WeakPolarHBondContact O-CG 3.33Å; E163-Q167 PolarHBondContact O-N 2.86Å; E163-Q167 PolarHBondContact OE1-NE2 3.32Å; E164-Q167 PolarHBondContact O-N 3.43Å; R165-Q167 PolarHBondContact O-N 2.94Å; Q167-K171 WeakPolarHBondContact O-CB 3.21Å; Q167-K171 PolarHBondContact O-N 3.25Å; Q167-K171 VanDerWaalsContact O-N 3.13Å
168	G	98.8	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-73.3	-45	-166.3	0	0	0	0	0	114.5	M122 E164 R165 K171 M172	M122-G168 WeakPolarHBondContact SD-CA 3.2Å; E164-G168 VanDerWaalsContact O-CA 3.31Å; E164-G168 WeakPolarHBondContact O-CA 3.47Å; E164-G168 PolarHBondContact O-N 3.08Å; R165-G168 PolarHBondContact O-N 2.94Å; G168-K171 PolarHBondContact O-N 3.33Å; G168-M172 PolarHBondContact O-N 3.49Å
169	Y	98.9	Very high	98.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-49.5	179.1	-79.8	-82	0	0	0	112.4	M122 L155 D156 R165 K171 M172 A173 F185 C187 W189	M122-Y169 HydrophobicContact CB-CE2 4.31Å; L155-Y169 HydrophobicContact CB-CE1 4.11Å; L155-Y169 HydrophobicContact CD2-CD1 3.91Å; L155-Y169 HydrophobicContact CD2-CE1 3.88Å; L155-Y169 HydrophobicContact CG-CE1 4.07Å; L155-Y169 VanDerWaalsContact O-CE1 3.28Å; L155-Y169 WeakPolarHBondContact O-CE1 3.46Å; L155-Y169 PolarHBondContact O-OH 3.12Å; D156-Y169 VanDerWaalsContact C-OH 3.28Å; D156-Y169 PolarHBondContact O-OH 2.95Å; R165-Y169 HydrophobicContact CB-CD2 3.98Å; R165-Y169 HydrophobicContact CB-CE2 4Å; R165-Y169 HydrophobicContact CG-CD2 4.4Å; R165-Y169 HydrophobicContact CG-CE2 3.94Å; R165-Y169 WeakPolarHBondContact O-CD2 3.23Å; R165-Y169 PolarHBondContact O-N 3.18Å; R165-Y169 VanDerWaalsContact O-N 3.1Å; Y169-K171 VanDerWaalsContact C-N 3.29Å; Y169-K171 PolarHBondContact O-N 3.09Å; Y169-M172 PolarHBondContact O-N 2.73Å; Y169-A173 PolarHBondContact O-N 3.4Å; Y169-F185 HydrophobicContact CD1-CZ 4.1Å; Y169-C187 HydrophobicContact CD1-CB 3.87Å; Y169-C187 HydrophobicContact CE1-CB 3.8Å; Y169-W189 VanDerWaalsContact CB-CE3 3.48Å; Y169-W189 HydrophobicContact CD1-CB 4.08Å; Y169-W189 HydrophobicContact CD2-CB 3.5Å; Y169-W189 AromaticContact CD2-CD2 3.61Å; Y169-W189 HydrophobicContact CD2-CD2 3.61Å; Y169-W189 AromaticContact CD2-CE3 3.87Å; Y169-W189 HydrophobicContact CD2-CE3 3.87Å; Y169-W189 AromaticContact CD2-CG 3.43Å; Y169-W189 HydrophobicContact CD2-CG 3.43Å; Y169-W189 VanDerWaalsContact CD2-CG 3.43Å; Y169-W189 HydrophobicContact CE1-CB 3.95Å; Y169-W189 HydrophobicContact CE2-CB 3.33Å; Y169-W189 HydrophobicContact CE2-CD2 4.26Å; Y169-W189 AromaticContact CE2-CG 3.58Å; Y169-W189 HydrophobicContact CE2-CG 3.58Å; Y169-W189 HydrophobicContact CG-CB 3.88Å; Y169-W189 HydrophobicContact CG-CD2 4.02Å; Y169-W189 AromaticContact CG-CE3 3.78Å; Y169-W189 HydrophobicContact CG-CE3 3.78Å; Y169-W189 HydrophobicContact CG-CG 4.08Å; Y169-W189 PolarHBondContact OH-N 2.82Å; Y169-W189 VanDerWaalsContact OH-N 3.15Å
170	P	98.8	Very high	98.5	Very high	39 Å²	39	46 Å²	46	25%	0.253	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-38	172.3	-24.2	34	0	0	0	112.9	A166 M172 A173 A174 W189 I208	A166-P170 WeakPolarHBondContact O-CD 3.41Å; A166-P170 WeakPolarHBondContact O-CG 3.42Å; P170-M172 PolarHBondContact O-N 3.15Å; P170-A173 PolarHBondContact O-N 2.97Å; P170-A174 WeakPolarHBondContact O-CB 3.33Å; P170-A174 PolarHBondContact O-N 2.8Å; P170-W189 HydrophobicContact CG-CZ3 4.3Å; P170-I208 HydrophobicContact CB-CD1 4.4Å; P170-I208 HydrophobicContact CG-CD1 3.88Å
171	K	98.8	Very high	98.5	Very high	84 Å²	84	48.1 Å²	48.1	37%	0.365	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-39.7	177.7	-169.7	-179.8	-175	175	0	111.8	L135 V138 Q167 G168 Y169 A175	L135-K171 HydrophobicContact CD2-CD 4.49Å; L135-K171 WeakPolarHBondContact O-CE 3.27Å; L135-K171 PolarHBondContact O-NZ 3.48Å; V138-K171 HydrophobicContact CB-CD 4.1Å; V138-K171 HydrophobicContact CB-CG 4.24Å; V138-K171 HydrophobicContact CG1-CB 4.13Å; V138-K171 HydrophobicContact CG1-CD 4.16Å; V138-K171 HydrophobicContact CG1-CG 3.74Å; V138-K171 HydrophobicContact CG2-CD 4.29Å; Q167-K171 WeakPolarHBondContact O-CB 3.21Å; Q167-K171 PolarHBondContact O-N 3.25Å; Q167-K171 VanDerWaalsContact O-N 3.13Å; G168-K171 PolarHBondContact O-N 3.33Å; Y169-K171 VanDerWaalsContact C-N 3.29Å; Y169-K171 PolarHBondContact O-N 3.09Å; K171-A175 VanDerWaalsContact O-CB 3.23Å; K171-A175 WeakPolarHBondContact O-CB 3.4Å; K171-A175 PolarHBondContact O-N 3.3Å
172	M	98.9	Very high	98.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-45.9	176.2	-177.7	61.6	75.4	0	0	111.2	T133 V138 A142 L153 L155 G168 Y169 P170 A174 A175 L176 F185	T133-M172 HydrophobicContact CG2-CE 3.77Å; V138-M172 HydrophobicContact CB-CE 4.38Å; V138-M172 VanDerWaalsContact CG1-CA 3.49Å; V138-M172 HydrophobicContact CG1-CB 3.97Å; V138-M172 HydrophobicContact CG1-CE 3.93Å; V138-M172 HydrophobicContact CG1-SD 4.1Å; V138-M172 HydrophobicContact CG2-CE 4.49Å; A142-M172 HydrophobicContact CB-SD 3.88Å; L153-M172 HydrophobicContact CD2-CE 4.21Å; L153-M172 HydrophobicContact CD2-CG 3.93Å; L153-M172 HydrophobicContact CD2-SD 3.88Å; L155-M172 HydrophobicContact CD1-CE 4.29Å; L155-M172 HydrophobicContact CD2-CB 3.83Å; L155-M172 HydrophobicContact CD2-CE 4.49Å; L155-M172 HydrophobicContact CD2-CG 3.93Å; G168-M172 PolarHBondContact O-N 3.49Å; Y169-M172 PolarHBondContact O-N 2.73Å; P170-M172 PolarHBondContact O-N 3.15Å; M172-A174 VanDerWaalsContact C-N 3.31Å; M172-A174 PolarHBondContact O-N 3Å; M172-A175 PolarHBondContact O-N 3.19Å; M172-A175 VanDerWaalsContact O-N 3.11Å; M172-L176 HydrophobicContact CG-CD1 4Å; M172-L176 HydrophobicContact CG-CG 4.15Å; M172-L176 WeakPolarHBondContact O-CB 3.47Å; M172-L176 WeakPolarHBondContact O-CG 3.28Å; M172-L176 PolarHBondContact O-N 2.93Å; M172-L176 HydrophobicContact SD-CD1 4.39Å; M172-L176 HydrophobicContact SD-CD2 4.29Å; M172-L176 HydrophobicContact SD-CG 3.98Å; M172-F185 HydrophobicContact CB-CE1 4.33Å; M172-F185 HydrophobicContact CB-CE2 4.41Å; M172-F185 HydrophobicContact CB-CZ 3.77Å; M172-F185 HydrophobicContact CG-CE1 4.33Å; M172-F185 HydrophobicContact CG-CE2 3.72Å; M172-F185 HydrophobicContact CG-CZ 3.58Å
173	A	98.8	Very high	98.6	Very high	8 Å²	8	46.1 Å²	46.1	7%	0.066	28%	0.279	C	S	.	.	H	α-helix	trans	-55.5	-47.5	176.1	0	0	0	0	0	111.6	Y169 P170 A175 L176 N177 F185 I208	Y169-A173 PolarHBondContact O-N 3.4Å; P170-A173 PolarHBondContact O-N 2.97Å; A173-A175 PolarHBondContact O-N 3.48Å; A173-L176 PolarHBondContact O-N 2.74Å; A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 2.76Å; A173-F185 HydrophobicContact CB-CD1 4.07Å; A173-F185 HydrophobicContact CB-CE1 3.94Å; A173-I208 HydrophobicContact CB-CB 3.88Å; A173-I208 WeakPolarHBondContact CB-O 3.28Å
174	A	98.5	Very high	98.6	Very high	53 Å²	53	39.6 Å²	39.6	44%	0.438	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-40.4	176.1	0	0	0	0	0	112.7	P170 M172 A178	P170-A174 WeakPolarHBondContact O-CB 3.33Å; P170-A174 PolarHBondContact O-N 2.8Å; M172-A174 VanDerWaalsContact C-N 3.31Å; M172-A174 PolarHBondContact O-N 3Å; A174-A178 WeakPolarHBondContact O-CB 3.29Å; A174-A178 PolarHBondContact O-N 3Å
175	A	98.8	Very high	98.6	Very high	9 Å²	9	36.9 Å²	36.9	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-43.5	178.8	0	0	0	0	0	112.2	V138 V139 A142 K171 M172 A173 A178 T179	V138-A175 HydrophobicContact CG1-CB 4.1Å; V139-A175 HydrophobicContact CG2-CB 4.28Å; A142-A175 HydrophobicContact CB-CB 3.64Å; K171-A175 VanDerWaalsContact O-CB 3.23Å; K171-A175 WeakPolarHBondContact O-CB 3.4Å; K171-A175 PolarHBondContact O-N 3.3Å; M172-A175 PolarHBondContact O-N 3.19Å; M172-A175 VanDerWaalsContact O-N 3.11Å; A173-A175 PolarHBondContact O-N 3.48Å; A175-A178 PolarHBondContact O-N 2.81Å; A175-T179 VanDerWaalsContact O-CG2 3.29Å; A175-T179 WeakPolarHBondContact O-CG2 3.34Å; A175-T179 PolarHBondContact O-N 2.81Å
176	L	98.8	Very high	98.6	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-59.8	-48.6	174.4	-70.2	173	0	0	0	110.7	A142 L153 M172 A173 A178 T179 I183 F185	A142-L176 HydrophobicContact CB-CD2 4.05Å; A142-L176 HydrophobicContact CB-CG 4.43Å; L153-L176 HydrophobicContact CD2-CD1 4.14Å; L153-L176 HydrophobicContact CD2-CD2 4.33Å; M172-L176 HydrophobicContact CG-CD1 4Å; M172-L176 HydrophobicContact CG-CG 4.15Å; M172-L176 WeakPolarHBondContact O-CB 3.47Å; M172-L176 WeakPolarHBondContact O-CG 3.28Å; M172-L176 PolarHBondContact O-N 2.93Å; M172-L176 HydrophobicContact SD-CD1 4.39Å; M172-L176 HydrophobicContact SD-CD2 4.29Å; M172-L176 HydrophobicContact SD-CG 3.98Å; A173-L176 PolarHBondContact O-N 2.74Å; L176-A178 VanDerWaalsContact C-N 3.3Å; L176-A178 PolarHBondContact O-N 3.33Å; L176-T179 WeakPolarHBondContact O-CB 3.4Å; L176-T179 PolarHBondContact O-N 3.3Å; L176-T179 VanDerWaalsContact O-N 3.09Å; L176-T179 PolarHBondContact O-OG1 2.85Å; L176-I183 HydrophobicContact CD2-CB 4.32Å; L176-I183 HydrophobicContact CD2-CD1 3.85Å; L176-I183 HydrophobicContact CD2-CG2 4.23Å; L176-F185 HydrophobicContact CD1-CB 4.13Å; L176-F185 HydrophobicContact CD1-CD1 4.29Å; L176-F185 HydrophobicContact CD1-CD2 3.75Å; L176-F185 HydrophobicContact CD1-CE2 4.22Å; L176-F185 HydrophobicContact CD1-CG 3.81Å
177	N	97.9	Very high	98.6	Very high	65 Å²	65	33.8 Å²	33.8	35%	0.348	21%	0.214	S	C	.	.	H	α-helix	trans	-59	-41.3	177.2	-175.3	59.2	0	0	0	112.1	L16 A173 T179 G180	L16-N177 WeakPolarHBondContact CB-ND2 3.29Å; A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 2.76Å; N177-T179 PolarHBondContact O-N 3.36Å; N177-G180 PolarHBondContact O-N 3.05Å; N177-G180 VanDerWaalsContact O-N 3.09Å
178	A	98.3	Very high	98.6	Very high	87 Å²	87	29.2 Å²	29.2	72%	0.719	19%	0.193	S	C	*	.	H	α-helix	trans	-65	-17	178.6	0	0	0	0	0	114.2	A174 A175 L176 G180	A174-A178 WeakPolarHBondContact O-CB 3.29Å; A174-A178 PolarHBondContact O-N 3Å; A175-A178 PolarHBondContact O-N 2.81Å; L176-A178 VanDerWaalsContact C-N 3.3Å; L176-A178 PolarHBondContact O-N 3.33Å; A178-G180 VanDerWaalsContact C-N 3.26Å; A178-G180 PolarHBondContact O-N 3.43Å
179	T	98.5	Very high	98.6	Very high	43 Å²	43	30.7 Å²	30.7	26%	0.264	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.3	174	74.1	0	0	0	0	113.2	A142 A146 A175 L176 N177 R181	A142-T179 HydrophobicContact CB-CG2 4.44Å; A146-T179 VanDerWaalsContact CB-CB 3.46Å; A146-T179 HydrophobicContact CB-CG2 3.68Å; A146-T179 WeakPolarHBondContact CB-OG1 3.5Å; A175-T179 VanDerWaalsContact O-CG2 3.29Å; A175-T179 WeakPolarHBondContact O-CG2 3.34Å; A175-T179 PolarHBondContact O-N 2.81Å; L176-T179 WeakPolarHBondContact O-CB 3.4Å; L176-T179 PolarHBondContact O-N 3.3Å; L176-T179 VanDerWaalsContact O-N 3.09Å; L176-T179 PolarHBondContact O-OG1 2.85Å; N177-T179 PolarHBondContact O-N 3.36Å; T179-R181 PolarHBondContact O-N 2.75Å; T179-R181 PolarHBondContact OG1-N 3Å
180	G	97.6	Very high	98.6	Very high	67 Å²	67	30.8 Å²	30.8	69%	0.691	20%	0.199	S	C	*	.	S	Bend	trans	74.8	-1.9	-174.2	0	0	0	0	0	114.9	N177 A178	N177-G180 PolarHBondContact O-N 3.05Å; N177-G180 VanDerWaalsContact O-N 3.09Å; A178-G180 VanDerWaalsContact C-N 3.26Å; A178-G180 PolarHBondContact O-N 3.43Å
181	R	98.4	Very high	98.6	Very high	67 Å²	67	30.5 Å²	30.5	25%	0.253	20%	0.2	S	C	.	.	S	Bend	trans	-92	127.3	171.9	-174.7	178.3	179.2	81.8	4.2	109.8	A146 K149 V150 D151 T179 I183	A146-R181 HydrophobicContact CB-CB 4.11Å; K149-R181 PolarHBondContact O-NH2 3.41Å; V150-R181 WeakPolarHBondContact O-CD 3.43Å; V150-R181 PolarHBondContact O-NE 3.14Å; D151-R181 IonicContact OD1-CZ 3.54Å; D151-R181 IonicContact OD1-NH2 2.68Å; D151-R181 PolarHBondContact OD1-NH2 3.33Å; T179-R181 PolarHBondContact O-N 2.75Å; T179-R181 PolarHBondContact OG1-N 3Å; R181-I183 HydrophobicContact CB-CD1 4.49Å; R181-I183 HydrophobicContact CB-CG1 4.36Å; R181-I183 HydrophobicContact CG-CD1 4.48Å; R181-I183 HydrophobicContact CG-CG1 4.05Å; R181-I183 PolarHBondContact O-N 3.49Å; R181-I183 VanDerWaalsContact O-N 3.14Å
182	P	98.6	Very high	98.6	Very high	75 Å²	75	30 Å²	30	49%	0.487	20%	0.197	S	C	.	.			trans	-64.3	114	168.6	-20.8	33.3	0	0	0	110.3	L22	L22-P182 HydrophobicContact CD1-CB 3.8Å; L22-P182 HydrophobicContact CD2-CB 4.11Å; L22-P182 HydrophobicContact CG-CB 4.08Å
183	I	98.8	Very high	98.6	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.026	20%	0.2	C	C	.	.			trans	-125	120	176.4	-61.5	178.1	0	0	0	107.3	A146 V150 L153 L176 R181 F185	A146-I183 HydrophobicContact CB-CD1 4.15Å; V150-I183 WeakPolarHBondContact O-CG1 3.42Å; L153-I183 HydrophobicContact CB-CG2 4.13Å; L176-I183 HydrophobicContact CD2-CB 4.32Å; L176-I183 HydrophobicContact CD2-CD1 3.85Å; L176-I183 HydrophobicContact CD2-CG2 4.23Å; R181-I183 HydrophobicContact CB-CD1 4.49Å; R181-I183 HydrophobicContact CB-CG1 4.36Å; R181-I183 HydrophobicContact CG-CD1 4.48Å; R181-I183 HydrophobicContact CG-CG1 4.05Å; R181-I183 PolarHBondContact O-N 3.49Å; R181-I183 VanDerWaalsContact O-N 3.14Å; I183-F185 PolarHBondContact O-N 3.32Å
184	A	98.9	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	131.2	176.1	0	0	0	0	0	109.6	L22 L23 D151 M152 L153 N210	L22-A184 HydrophobicContact CD1-CB 4.12Å; L23-A184 HydrophobicContact CD1-CB 3.78Å; L23-A184 HydrophobicContact CG-CB 4.09Å; D151-A184 PolarHBondContact O-N 2.84Å; M152-A184 CarbonylContact C-O 3.44Å; M152-A184 VanDerWaalsContact CA-O 3.23Å; M152-A184 WeakPolarHBondContact CA-O 3.46Å; M152-A184 HydrophobicContact CB-CB 4.09Å; M152-A184 HydrophobicContact CG-CB 3.98Å; M152-A184 WeakPolarHBondContact CG-O 3.37Å; L153-A184 PolarHBondContact N-O 3.18Å; A184-N210 VanDerWaalsContact CA-OD1 3.31Å; A184-N210 WeakPolarHBondContact CA-OD1 3.09Å
185	F	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.8	-171.8	-170.5	-146.4	0	0	0	112.3	L18 L153 L155 Y169 M172 A173 L176 I183 C187 I208 N210 L211	L18-F185 HydrophobicContact CD1-CB 4.43Å; L18-F185 HydrophobicContact CD2-CB 4.47Å; L153-F185 HydrophobicContact CB-CD2 4.29Å; L153-F185 HydrophobicContact CD2-CD2 4.23Å; L153-F185 HydrophobicContact CD2-CE2 4.01Å; L153-F185 HydrophobicContact CG-CD2 4.36Å; L153-F185 HydrophobicContact CG-CE2 4.39Å; L155-F185 HydrophobicContact CB-CE2 3.56Å; L155-F185 HydrophobicContact CB-CZ 4.1Å; L155-F185 HydrophobicContact CD2-CE2 4Å; L155-F185 HydrophobicContact CD2-CZ 3.76Å; L155-F185 HydrophobicContact CG-CE2 4.43Å; Y169-F185 HydrophobicContact CD1-CZ 4.1Å; M172-F185 HydrophobicContact CB-CE1 4.33Å; M172-F185 HydrophobicContact CB-CE2 4.41Å; M172-F185 HydrophobicContact CB-CZ 3.77Å; M172-F185 HydrophobicContact CG-CE1 4.33Å; M172-F185 HydrophobicContact CG-CE2 3.72Å; M172-F185 HydrophobicContact CG-CZ 3.58Å; A173-F185 HydrophobicContact CB-CD1 4.07Å; A173-F185 HydrophobicContact CB-CE1 3.94Å; L176-F185 HydrophobicContact CD1-CB 4.13Å; L176-F185 HydrophobicContact CD1-CD1 4.29Å; L176-F185 HydrophobicContact CD1-CD2 3.75Å; L176-F185 HydrophobicContact CD1-CE2 4.22Å; L176-F185 HydrophobicContact CD1-CG 3.81Å; I183-F185 PolarHBondContact O-N 3.32Å; F185-C187 WeakPolarHBondContact CE1-SG 3.27Å; F185-I208 WeakPolarHBondContact CD1-O 3.35Å; F185-N210 PolarHBondContact N-OD1 2.02Å; F185-N210 PolarHBondContact O-N 3.48Å; F185-L211 PolarHBondContact O-N 2.89Å
186	S	98.9	Very high	98.5	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.028	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.4	177.9	173.8	0	0	0	0	110.6	L153 K154 L155 L211	L153-S186 PolarHBondContact O-N 3.44Å; K154-S186 WeakPolarHBondContact CA-O 3.34Å; L155-S186 PolarHBondContact N-O 3.28Å; S186-L211 WeakPolarHBondContact CA-O 3.41Å
187	C	98.9	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.2	-172	-60.2	0	0	0	0	112.4	Y169 F185 W189 C209 L211 W212 R213	Y169-C187 HydrophobicContact CD1-CB 3.87Å; Y169-C187 HydrophobicContact CE1-CB 3.8Å; F185-C187 WeakPolarHBondContact CE1-SG 3.27Å; C187-W189 PolarHBondContact O-N 3.36Å; C187-C209 HydrophobicContact CB-CB 3.82Å; C187-C209 WeakPolarHBondContact CB-SG 3.43Å; C187-C209 WeakPolarHBondContact SG-CB 3.41Å; C187-C209 CovalentContact SG-SG 2.02Å; C187-C209 PolarHBondContact SG-SG 3.11Å; C187-L211 PolarHBondContact N-O 2.89Å; C187-W212 HydrophobicContact CB-CB 4.39Å; C187-W212 CarbonylContact O-C 3.43Å; C187-W212 WeakPolarHBondContact O-CA 3.23Å; C187-W212 WeakPolarHBondContact O-CB 3.39Å; C187-R213 PolarHBondContact O-N 3.43Å
188	S	98.8	Very high	98.4	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.021	25%	0.25	C	C	.	.			trans	-78.4	-3.7	172	-54.8	0	0	0	0	114.1	L155 D156 A191 Y192	L155-S188 PolarHBondContact O-N 2.87Å; L155-S188 VanDerWaalsContact O-N 3.07Å; D156-S188 WeakPolarHBondContact OD1-CB 3.3Å; D156-S188 PolarHBondContact OD1-OG 2.87Å; S188-A191 WeakPolarHBondContact O-CB 3.38Å; S188-A191 PolarHBondContact O-N 2.67Å; S188-Y192 WeakPolarHBondContact O-CD2 3.32Å
189	W	98.8	Very high	98.4	Very high	31 Å²	31	41.2 Å²	41.2	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-44.5	-53.9	-170.7	-168.4	3.5	0	0	0	114.7	A166 Y169 P170 C187 A191 Y192 E193 L204 L205 I208	A166-W189 VanDerWaalsContact CA-CZ2 3.4Å; A166-W189 HydrophobicContact CB-CH2 4.39Å; A166-W189 HydrophobicContact CB-CZ2 3.92Å; Y169-W189 VanDerWaalsContact CB-CE3 3.48Å; Y169-W189 HydrophobicContact CD1-CB 4.08Å; Y169-W189 HydrophobicContact CD2-CB 3.5Å; Y169-W189 AromaticContact CD2-CD2 3.61Å; Y169-W189 HydrophobicContact CD2-CD2 3.61Å; Y169-W189 AromaticContact CD2-CE3 3.87Å; Y169-W189 HydrophobicContact CD2-CE3 3.87Å; Y169-W189 AromaticContact CD2-CG 3.43Å; Y169-W189 HydrophobicContact CD2-CG 3.43Å; Y169-W189 VanDerWaalsContact CD2-CG 3.43Å; Y169-W189 HydrophobicContact CE1-CB 3.95Å; Y169-W189 HydrophobicContact CE2-CB 3.33Å; Y169-W189 HydrophobicContact CE2-CD2 4.26Å; Y169-W189 AromaticContact CE2-CG 3.58Å; Y169-W189 HydrophobicContact CE2-CG 3.58Å; Y169-W189 HydrophobicContact CG-CB 3.88Å; Y169-W189 HydrophobicContact CG-CD2 4.02Å; Y169-W189 AromaticContact CG-CE3 3.78Å; Y169-W189 HydrophobicContact CG-CE3 3.78Å; Y169-W189 HydrophobicContact CG-CG 4.08Å; Y169-W189 PolarHBondContact OH-N 2.82Å; Y169-W189 VanDerWaalsContact OH-N 3.15Å; P170-W189 HydrophobicContact CG-CZ3 4.3Å; C187-W189 PolarHBondContact O-N 3.36Å; W189-A191 VanDerWaalsContact C-N 3.29Å; W189-A191 PolarHBondContact O-N 2.87Å; W189-Y192 PolarHBondContact O-N 3.48Å; W189-Y192 VanDerWaalsContact O-N 3.11Å; W189-E193 PolarHBondContact O-N 2.85Å; W189-L204 HydrophobicContact CH2-CD2 3.87Å; W189-L204 HydrophobicContact CZ3-CD2 3.97Å; W189-L205 HydrophobicContact CB-CD2 4.37Å; W189-L205 HydrophobicContact CD2-CD2 4.41Å; W189-L205 HydrophobicContact CE3-CD2 3.76Å; W189-L205 HydrophobicContact CZ3-CD2 4.43Å; W189-I208 HydrophobicContact CE3-CD1 4.28Å; W189-I208 HydrophobicContact CZ3-CD1 3.88Å
190	P	98.8	Very high	98.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-31.5	-175.2	20.5	-28.1	0	0	0	113.8	Y192 E193 G194 G195 V200 L205 W212 R213	P190-Y192 VanDerWaalsContact C-N 3.25Å; P190-Y192 PolarHBondContact O-N 3.28Å; P190-E193 CarbonylContact O-C 3.54Å; P190-E193 PolarHBondContact O-N 2.85Å; P190-G194 PolarHBondContact O-N 3.09Å; P190-G194 VanDerWaalsContact O-N 3.15Å; P190-G195 WeakPolarHBondContact O-CA 3.4Å; P190-G195 PolarHBondContact O-N 3.07Å; P190-V200 HydrophobicContact CB-CB 4.48Å; P190-V200 HydrophobicContact CB-CG1 3.78Å; P190-V200 HydrophobicContact CB-CG2 3.81Å; P190-L205 HydrophobicContact CB-CD1 3.97Å; P190-L205 HydrophobicContact CG-CD1 3.7Å; P190-W212 HydrophobicContact CG-CB 3.73Å; P190-W212 HydrophobicContact CG-CG 4.1Å; P190-R213 WeakPolarHBondContact CG-O 3.27Å
191	A	98.6	Very high	98.5	Very high	34 Å²	34	40.8 Å²	40.8	28%	0.281	23%	0.225	S	C	.	.	H	α-helix	trans	-58.8	-37.4	175.8	0	0	0	0	0	112.3	S188 W189 E193 G194 R213	S188-A191 WeakPolarHBondContact O-CB 3.38Å; S188-A191 PolarHBondContact O-N 2.67Å; W189-A191 VanDerWaalsContact C-N 3.29Å; W189-A191 PolarHBondContact O-N 2.87Å; A191-E193 VanDerWaalsContact C-N 3.28Å; A191-E193 PolarHBondContact O-N 3.09Å; A191-G194 PolarHBondContact O-N 3.01Å; A191-R213 WeakPolarHBondContact CB-O 3.34Å; A191-R213 PolarHBondContact N-O 3.11Å; A191-R213 VanDerWaalsContact N-O 3.13Å
192	Y	98.6	Very high	98.5	Very high	73 Å²	73	38 Å²	38	29%	0.286	21%	0.214	S	C	.	.	H	α-helix	trans	-79	-8.2	178.2	-66.9	-89.9	0	0	0	114	C127 D156 G157 C158 S188 W189 P190	C127-Y192 PolarHBondContact SG-OH 3.28Å; C127-Y192 VanDerWaalsContact SG-OH 3.37Å; D156-Y192 WeakPolarHBondContact OD1-CE2 3.36Å; D156-Y192 PolarHBondContact OD1-OH 3.12Å; G157-Y192 VanDerWaalsContact C-CE1 3.42Å; G157-Y192 VanDerWaalsContact C-CZ 3.44Å; G157-Y192 WeakPolarHBondContact O-CD1 3.43Å; G157-Y192 WeakPolarHBondContact O-CE1 3.3Å; C158-Y192 PolarHBondContact N-OH 3.45Å; C158-Y192 PolarHBondContact SG-OH 3.28Å; S188-Y192 WeakPolarHBondContact O-CD2 3.32Å; W189-Y192 PolarHBondContact O-N 3.48Å; W189-Y192 VanDerWaalsContact O-N 3.11Å; P190-Y192 VanDerWaalsContact C-N 3.25Å; P190-Y192 PolarHBondContact O-N 3.28Å
193	E	98.5	Very high	98.4	Very high	15 Å²	15	38.4 Å²	38.4	7%	0.07	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	4.6	176.7	-62.1	-56.4	145.6	0	0	113	R165 W189 P190 A191 R199 V200	R165-E193 IonicContact CZ-OE1 2.64Å; R165-E193 IonicContact NE-OE1 3.42Å; R165-E193 PolarHBondContact NE-OE1 3.27Å; R165-E193 IonicContact NH2-OE1 3.93Å; R165-E193 PolarHBondContact NH2-OE1 3.09Å; W189-E193 PolarHBondContact O-N 2.85Å; P190-E193 CarbonylContact O-C 3.54Å; P190-E193 PolarHBondContact O-N 2.85Å; A191-E193 VanDerWaalsContact C-N 3.28Å; A191-E193 PolarHBondContact O-N 3.09Å; E193-R199 HydrophobicContact CB-CB 4.23Å; E193-R199 IonicContact OE2-CZ 3.49Å; E193-R199 VanDerWaalsContact OE2-CZ 3.26Å; E193-R199 IonicContact OE2-NE 2.73Å; E193-R199 PolarHBondContact OE2-NE 3.33Å; E193-R199 VanDerWaalsContact OE2-NE 3.09Å; E193-R199 IonicContact OE2-NH2 2.84Å; E193-R199 PolarHBondContact OE2-NH2 3.36Å; E193-V200 HydrophobicContact CB-CG2 3.73Å
194	G	97.5	Very high	98.4	Very high	46 Å²	46	41 Å²	41	47%	0.474	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	8	180	0	0	0	0	0	114.9	P190 A191 L196	P190-G194 PolarHBondContact O-N 3.09Å; P190-G194 VanDerWaalsContact O-N 3.15Å; A191-G194 PolarHBondContact O-N 3.01Å; G194-L196 VanDerWaalsContact C-N 3.28Å; G194-L196 PolarHBondContact O-N 3.3Å
195	G	98.1	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	75.3	3.8	168.4	0	0	0	0	0	116.1	P190 Y202 N214 W231	P190-G195 WeakPolarHBondContact O-CA 3.4Å; P190-G195 PolarHBondContact O-N 3.07Å; G195-Y202 PolarHBondContact O-OH 2.82Å; G195-N214 WeakPolarHBondContact CA-O 3.4Å; G195-W231 WeakPolarHBondContact O-CH2 3.47Å
196	L	98.7	Very high	98.4	Very high	41 Å²	41	42.3 Å²	42.3	22%	0.215	24%	0.243	C	C	.	.	S	Bend	trans	-135.8	151.3	-171.3	-62.9	170.6	0	0	0	113.5	G194 R199 V200 W231 H235 I238	G194-L196 VanDerWaalsContact C-N 3.28Å; G194-L196 PolarHBondContact O-N 3.3Å; L196-R199 PolarHBondContact O-N 2.97Å; L196-V200 PolarHBondContact O-N 3.04Å; L196-W231 HydrophobicContact CD1-CZ2 4.24Å; L196-W231 HydrophobicContact CD2-CH2 4.14Å; L196-W231 HydrophobicContact CD2-CZ2 4.01Å; L196-W231 HydrophobicContact CG-CH2 4.35Å; L196-W231 HydrophobicContact CG-CZ2 3.84Å; L196-H235 VanDerWaalsContact CD1-CE1 3.44Å; L196-H235 WeakPolarHBondContact CD1-CE1 3.37Å; L196-H235 HydrophobicContact CD2-CB 3.84Å; L196-I238 HydrophobicContact CD2-CD1 4.18Å
197	P	97.5	Very high	98.3	Very high	67 Å²	67	45.5 Å²	45.5	44%	0.435	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	150.2	163.6	-22.5	33.5	0	0	0	111.7	V200 I238	P197-V200 WeakPolarHBondContact CA-O 2.95Å; P197-I238 HydrophobicContact CG-CG2 4.01Å
198	P	97.6	Very high	98.3	Very high	135 Å²	135	46 Å²	46	88%	0.877	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.4	-6.1	4	34.6	-36.3	0	0	0	114.4
199	R	97.9	Very high	98.3	Very high	158 Å²	158	45.9 Å²	45.9	60%	0.596	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.5	-178.4	-68.3	-179.3	65.9	176.6	0.1	112.5	E193 L196	E193-R199 HydrophobicContact CB-CB 4.23Å; E193-R199 IonicContact OE2-CZ 3.49Å; E193-R199 VanDerWaalsContact OE2-CZ 3.26Å; E193-R199 IonicContact OE2-NE 2.73Å; E193-R199 PolarHBondContact OE2-NE 3.33Å; E193-R199 VanDerWaalsContact OE2-NE 3.09Å; E193-R199 IonicContact OE2-NH2 2.84Å; E193-R199 PolarHBondContact OE2-NH2 3.36Å; L196-R199 PolarHBondContact O-N 2.97Å
200	V	98.5	Very high	98.3	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.055	26%	0.256	C	S	.	.			trans	-100.2	126.7	174.5	178.8	0	0	0	0	110.1	P190 E193 L196 P197 Y202 L205	P190-V200 HydrophobicContact CB-CB 4.48Å; P190-V200 HydrophobicContact CB-CG1 3.78Å; P190-V200 HydrophobicContact CB-CG2 3.81Å; E193-V200 HydrophobicContact CB-CG2 3.73Å; L196-V200 PolarHBondContact O-N 3.04Å; P197-V200 WeakPolarHBondContact CA-O 2.95Å; V200-Y202 HydrophobicContact CB-CE2 4.38Å; V200-Y202 HydrophobicContact CG1-CD1 4.2Å; V200-Y202 HydrophobicContact CG1-CD2 3.92Å; V200-Y202 HydrophobicContact CG1-CE1 3.98Å; V200-Y202 HydrophobicContact CG1-CE2 3.7Å; V200-Y202 HydrophobicContact CG1-CG 4.16Å; V200-L205 HydrophobicContact CG1-CD1 3.64Å
201	N	98.4	Very high	98.3	Very high	92 Å²	92	44.4 Å²	44.4	49%	0.492	26%	0.256	S	S	.	.			trans	-105.1	98.9	169.8	-177.3	-9.1	0	0	0	109.7	S203 L204 L205	N201-S203 VanDerWaalsContact C-N 3.31Å; N201-S203 PolarHBondContact O-N 3.44Å; N201-S203 WeakPolarHBondContact OD1-CB 3.18Å; N201-S203 PolarHBondContact OD1-N 3.33Å; N201-S203 VanDerWaalsContact OD1-N 3.12Å; N201-L204 HydrophobicContact CB-CB 4.16Å; N201-L204 PolarHBondContact O-N 2.81Å; N201-L204 PolarHBondContact OD1-N 2.79Å; N201-L205 PolarHBondContact O-N 2.86Å; N201-L205 VanDerWaalsContact O-N 3.11Å
202	Y	98.6	Very high	98.3	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-69	-25.3	-178.9	-78.2	-70.3	0	0	0	114	G195 V200 L205 A206 W212 N214 I238 L239 V242	G195-Y202 PolarHBondContact O-OH 2.82Å; V200-Y202 HydrophobicContact CB-CE2 4.38Å; V200-Y202 HydrophobicContact CG1-CD1 4.2Å; V200-Y202 HydrophobicContact CG1-CD2 3.92Å; V200-Y202 HydrophobicContact CG1-CE1 3.98Å; V200-Y202 HydrophobicContact CG1-CE2 3.7Å; V200-Y202 HydrophobicContact CG1-CG 4.16Å; Y202-L205 HydrophobicContact CD1-CD1 3.81Å; Y202-L205 HydrophobicContact CE1-CD1 3.98Å; Y202-L205 PolarHBondContact O-N 3.49Å; Y202-A206 WeakPolarHBondContact O-CB 3.03Å; Y202-A206 PolarHBondContact O-N 3.33Å; Y202-W212 AromaticContact CD1-CE2 3.83Å; Y202-W212 HydrophobicContact CD1-CZ2 4.05Å; Y202-W212 AromaticContact CD1-NE1 3.61Å; Y202-W212 AromaticContact CE1-CD1 3.71Å; Y202-W212 AromaticContact CE1-NE1 3.33Å; Y202-W212 VanDerWaalsContact CE1-NE1 3.33Å; Y202-N214 WeakPolarHBondContact CE1-ND2 3.43Å; Y202-N214 PolarHBondContact OH-ND2 3.35Å; Y202-I238 HydrophobicContact CD2-CG2 4.23Å; Y202-I238 HydrophobicContact CE2-CG2 4.17Å; Y202-L239 HydrophobicContact CE1-CD2 4.33Å; Y202-L239 HydrophobicContact CE2-CD2 3.79Å; Y202-L239 VanDerWaalsContact OH-CD2 3.26Å; Y202-L239 WeakPolarHBondContact OH-CD2 3.49Å; Y202-V242 HydrophobicContact CD1-CG2 3.93Å; Y202-V242 HydrophobicContact CG-CB 4.39Å; Y202-V242 HydrophobicContact CG-CG1 4.23Å; Y202-V242 HydrophobicContact CG-CG2 3.97Å
203	S	98	Very high	98.4	Very high	84 Å²	84	39.7 Å²	39.7	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-64.7	-43.1	172.9	-57.7	0	0	0	0	110.8	N201 A206 D207	N201-S203 VanDerWaalsContact C-N 3.31Å; N201-S203 PolarHBondContact O-N 3.44Å; N201-S203 WeakPolarHBondContact OD1-CB 3.18Å; N201-S203 PolarHBondContact OD1-N 3.33Å; N201-S203 VanDerWaalsContact OD1-N 3.12Å; S203-A206 PolarHBondContact O-N 3.36Å; S203-D207 PolarHBondContact O-N 2.91Å
204	L	98.3	Very high	98.4	Very high	58 Å²	58	39 Å²	39	30%	0.304	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-44	173.6	175.6	62.6	0	0	0	111.4	W189 N201 A206 D207 I208	W189-L204 HydrophobicContact CH2-CD2 3.87Å; W189-L204 HydrophobicContact CZ3-CD2 3.97Å; N201-L204 HydrophobicContact CB-CB 4.16Å; N201-L204 PolarHBondContact O-N 2.81Å; N201-L204 PolarHBondContact OD1-N 2.79Å; L204-A206 VanDerWaalsContact C-N 3.33Å; L204-A206 PolarHBondContact O-N 2.86Å; L204-D207 PolarHBondContact O-N 2.9Å; L204-D207 VanDerWaalsContact O-N 3.14Å; L204-I208 HydrophobicContact CD1-CD1 4.35Å; L204-I208 HydrophobicContact CD1-CG2 3.93Å; L204-I208 HydrophobicContact CG-CD1 4.16Å; L204-I208 WeakPolarHBondContact O-CG1 3.44Å; L204-I208 PolarHBondContact O-N 2.65Å; L204-I208 VanDerWaalsContact O-N 3.15Å
205	L	98.6	Very high	98.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-41.9	178.5	-70.8	173.7	0	0	0	112	W189 P190 V200 N201 Y202 D207 I208 C209 W212	W189-L205 HydrophobicContact CB-CD2 4.37Å; W189-L205 HydrophobicContact CD2-CD2 4.41Å; W189-L205 HydrophobicContact CE3-CD2 3.76Å; W189-L205 HydrophobicContact CZ3-CD2 4.43Å; P190-L205 HydrophobicContact CB-CD1 3.97Å; P190-L205 HydrophobicContact CG-CD1 3.7Å; V200-L205 HydrophobicContact CG1-CD1 3.64Å; N201-L205 PolarHBondContact O-N 2.86Å; N201-L205 VanDerWaalsContact O-N 3.11Å; Y202-L205 HydrophobicContact CD1-CD1 3.81Å; Y202-L205 HydrophobicContact CE1-CD1 3.98Å; Y202-L205 PolarHBondContact O-N 3.49Å; L205-D207 PolarHBondContact O-N 3.41Å; L205-I208 PolarHBondContact O-N 2.91Å; L205-C209 WeakPolarHBondContact O-CA 3.36Å; L205-C209 WeakPolarHBondContact O-CB 3.12Å; L205-C209 PolarHBondContact O-N 3.49Å; L205-W212 VanDerWaalsContact C-CZ3 3.45Å; L205-W212 HydrophobicContact CB-CD2 4.06Å; L205-W212 HydrophobicContact CB-CE3 3.78Å; L205-W212 HydrophobicContact CB-CH2 4.44Å; L205-W212 HydrophobicContact CB-CZ3 3.99Å; L205-W212 HydrophobicContact CD1-CD2 4.4Å; L205-W212 HydrophobicContact CD1-CG 4.25Å; L205-W212 WeakPolarHBondContact O-CZ3 3.19Å
206	A	98.3	Very high	98.3	Very high	24 Å²	24	41.3 Å²	41.3	20%	0.198	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-34.5	174.8	0	0	0	0	0	112.7	Y202 S203 L204 W212 H247	Y202-A206 WeakPolarHBondContact O-CB 3.03Å; Y202-A206 PolarHBondContact O-N 3.33Å; S203-A206 PolarHBondContact O-N 3.36Å; L204-A206 VanDerWaalsContact C-N 3.33Å; L204-A206 PolarHBondContact O-N 2.86Å; A206-W212 HydrophobicContact CB-CH2 3.94Å; A206-W212 HydrophobicContact CB-CZ3 4.35Å; A206-H247 HydrophobicContact CB-CB 4.23Å
207	D	97.9	Very high	98.3	Very high	72 Å²	72	42.8 Å²	42.8	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-77.9	-19.4	178.3	-69.5	-17.4	0	0	0	113.7	L18 S203 L204 L205	L18-D207 WeakPolarHBondContact CB-O 3.47Å; L18-D207 PolarHBondContact N-O 3.13Å; S203-D207 PolarHBondContact O-N 2.91Å; L204-D207 PolarHBondContact O-N 2.9Å; L204-D207 VanDerWaalsContact O-N 3.14Å; L205-D207 PolarHBondContact O-N 3.41Å
208	I	98.6	Very high	98.4	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-125.4	-9.6	-171.6	75.3	175.2	0	0	0	115	L18 P170 A173 F185 W189 L204 L205	L18-I208 VanDerWaalsContact CD2-C 3.43Å; L18-I208 WeakPolarHBondContact CD2-O 3.39Å; P170-I208 HydrophobicContact CB-CD1 4.4Å; P170-I208 HydrophobicContact CG-CD1 3.88Å; A173-I208 HydrophobicContact CB-CB 3.88Å; A173-I208 WeakPolarHBondContact CB-O 3.28Å; F185-I208 WeakPolarHBondContact CD1-O 3.35Å; W189-I208 HydrophobicContact CE3-CD1 4.28Å; W189-I208 HydrophobicContact CZ3-CD1 3.88Å; L204-I208 HydrophobicContact CD1-CD1 4.35Å; L204-I208 HydrophobicContact CD1-CG2 3.93Å; L204-I208 HydrophobicContact CG-CD1 4.16Å; L204-I208 WeakPolarHBondContact O-CG1 3.44Å; L204-I208 PolarHBondContact O-N 2.65Å; L204-I208 VanDerWaalsContact O-N 3.15Å; L205-I208 PolarHBondContact O-N 2.91Å
209	C	98.8	Very high	98.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.			trans	-134.3	139.2	-176.5	-60.6	0	0	0	0	111.1	L18 C187 L205 W212	L18-C209 VanDerWaalsContact CD2-N 3.29Å; C187-C209 HydrophobicContact CB-CB 3.82Å; C187-C209 WeakPolarHBondContact CB-SG 3.43Å; C187-C209 WeakPolarHBondContact SG-CB 3.41Å; C187-C209 CovalentContact SG-SG 2.02Å; C187-C209 PolarHBondContact SG-SG 3.11Å; L205-C209 WeakPolarHBondContact O-CA 3.36Å; L205-C209 WeakPolarHBondContact O-CB 3.12Å; L205-C209 PolarHBondContact O-N 3.49Å; C209-W212 HydrophobicContact CB-CE3 3.86Å; C209-W212 HydrophobicContact CB-CZ3 4.4Å
210	N	98.9	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-80.5	-24.4	175.2	-67	116.4	0	0	0	112.5	L18 N20 L23 A184 F185 G246 H247 W248	L18-N210 HydrophobicContact CD2-CB 4.24Å; N20-N210 PolarHBondContact ND2-OD1 3.43Å; N20-N210 PolarHBondContact OD1-ND2 3Å; L23-N210 HydrophobicContact CB-CB 4.4Å; L23-N210 HydrophobicContact CD1-CB 3.73Å; L23-N210 HydrophobicContact CG-CB 4.35Å; A184-N210 VanDerWaalsContact CA-OD1 3.31Å; A184-N210 WeakPolarHBondContact CA-OD1 3.09Å; F185-N210 PolarHBondContact N-OD1 2.02Å; F185-N210 PolarHBondContact O-N 3.48Å; N210-G246 WeakPolarHBondContact CA-O 3.4Å; N210-G246 PolarHBondContact ND2-O 3.03Å; N210-H247 CarbonylContact O-C 3.58Å; N210-H247 WeakPolarHBondContact O-CA 3.48Å; N210-W248 VanDerWaalsContact O-CD1 3.3Å; N210-W248 PolarHBondContact O-N 3.36Å
211	L	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	160.2	170.2	62.7	164.8	0	0	0	109.7	L23 P27 M152 F185 S186 C187 W248 D250 P279	L23-L211 HydrophobicContact CD1-CD2 3.83Å; P27-L211 HydrophobicContact CG-CD1 3.95Å; P27-L211 HydrophobicContact CG-CD2 4.46Å; M152-L211 HydrophobicContact CE-CD1 4.24Å; M152-L211 HydrophobicContact CE-CD2 3.92Å; F185-L211 PolarHBondContact O-N 2.89Å; S186-L211 WeakPolarHBondContact CA-O 3.41Å; C187-L211 PolarHBondContact N-O 2.89Å; L211-W248 CarbonylContact C-O 3.25Å; L211-W248 WeakPolarHBondContact CA-O 3.04Å; L211-W248 HydrophobicContact CB-CB 4.11Å; L211-D250 HydrophobicContact CD1-CB 4.3Å; L211-P279 HydrophobicContact CD1-CB 4.48Å; L211-P279 HydrophobicContact CD1-CG 3.71Å
212	W	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	134	178	47.9	75.6	0	0	0	113.2	C187 P190 Y202 L205 A206 C209 N214 V242 H247 W248 N249 D250	C187-W212 HydrophobicContact CB-CB 4.39Å; C187-W212 CarbonylContact O-C 3.43Å; C187-W212 WeakPolarHBondContact O-CA 3.23Å; C187-W212 WeakPolarHBondContact O-CB 3.39Å; P190-W212 HydrophobicContact CG-CB 3.73Å; P190-W212 HydrophobicContact CG-CG 4.1Å; Y202-W212 AromaticContact CD1-CE2 3.83Å; Y202-W212 HydrophobicContact CD1-CZ2 4.05Å; Y202-W212 AromaticContact CD1-NE1 3.61Å; Y202-W212 AromaticContact CE1-CD1 3.71Å; Y202-W212 AromaticContact CE1-NE1 3.33Å; Y202-W212 VanDerWaalsContact CE1-NE1 3.33Å; L205-W212 VanDerWaalsContact C-CZ3 3.45Å; L205-W212 HydrophobicContact CB-CD2 4.06Å; L205-W212 HydrophobicContact CB-CE3 3.78Å; L205-W212 HydrophobicContact CB-CH2 4.44Å; L205-W212 HydrophobicContact CB-CZ3 3.99Å; L205-W212 HydrophobicContact CD1-CD2 4.4Å; L205-W212 HydrophobicContact CD1-CG 4.25Å; L205-W212 WeakPolarHBondContact O-CZ3 3.19Å; A206-W212 HydrophobicContact CB-CH2 3.94Å; A206-W212 HydrophobicContact CB-CZ3 4.35Å; C209-W212 HydrophobicContact CB-CE3 3.86Å; C209-W212 HydrophobicContact CB-CZ3 4.4Å; W212-N214 VanDerWaalsContact CD1-ND2 3.26Å; W212-N214 PolarHBondContact NE1-ND2 3.39Å; W212-N214 PolarHBondContact O-N 3.2Å; W212-N214 PolarHBondContact O-OD1 2.83Å; W212-N214 VanDerWaalsContact O-OD1 3.11Å; W212-V242 HydrophobicContact CZ2-CB 4.48Å; W212-V242 HydrophobicContact CZ2-CG2 4.16Å; W212-H247 HydrophobicContact CH2-CB 3.71Å; W212-H247 HydrophobicContact CZ3-CB 3.75Å; W212-W248 PolarHBondContact N-O 3.46Å; W212-N249 PolarHBondContact NE1-OD1 3.19Å; W212-D250 VanDerWaalsContact O-CB 3.27Å; W212-D250 WeakPolarHBondContact O-CB 3.38Å; W212-D250 PolarHBondContact O-N 2.88Å
213	R	98.9	Very high	98.5	Very high	8 Å²	8	35.9 Å²	35.9	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	107.6	172.2	-77.9	-73.5	-51.7	-66.9	-22.8	108.9	C187 P190 A191 Y215 A216 D217 D250 D252	C187-R213 PolarHBondContact O-N 3.43Å; P190-R213 WeakPolarHBondContact CG-O 3.27Å; A191-R213 WeakPolarHBondContact CB-O 3.34Å; A191-R213 PolarHBondContact N-O 3.11Å; A191-R213 VanDerWaalsContact N-O 3.13Å; R213-Y215 PolarHBondContact NH2-O 3.38Å; R213-A216 PolarHBondContact NH2-O 2.92Å; R213-D217 IonicContact CZ-OD1 3.76Å; R213-D217 IonicContact NH1-OD1 3.09Å; R213-D217 PolarHBondContact NH1-OD1 2.74Å; R213-D217 IonicContact NH2-OD1 3.26Å; R213-D217 PolarHBondContact NH2-OD1 3.01Å; R213-D250 WeakPolarHBondContact CD-OD2 3.32Å; R213-D250 HydrophobicContact CG-CB 4.29Å; R213-D250 WeakPolarHBondContact CG-OD2 3.38Å; R213-D252 IonicContact CZ-OD1 2.73Å; R213-D252 IonicContact CZ-OD2 3.81Å; R213-D252 IonicContact NE-OD1 3.59Å; R213-D252 IonicContact NE-OD2 3.75Å; R213-D252 IonicContact NH1-OD1 3.6Å; R213-D252 PolarHBondContact NH1-OD1 3.13Å; R213-D252 IonicContact NH1-OD2 2.77Å; R213-D252 PolarHBondContact NH1-OD2 2.67Å; R213-D252 IonicContact NH2-OD2 2.67Å; R213-D252 PolarHBondContact NH2-OD2 2.78Å
214	N	98.8	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.			trans	-76.4	-30.5	-176.2	-54.2	83.4	0	0	0	113.1	G195 Y202 W212 W231 F232 N249 D250	G195-N214 WeakPolarHBondContact CA-O 3.4Å; Y202-N214 WeakPolarHBondContact CE1-ND2 3.43Å; Y202-N214 PolarHBondContact OH-ND2 3.35Å; W212-N214 VanDerWaalsContact CD1-ND2 3.26Å; W212-N214 PolarHBondContact NE1-ND2 3.39Å; W212-N214 PolarHBondContact O-N 3.2Å; W212-N214 PolarHBondContact O-OD1 2.83Å; W212-N214 VanDerWaalsContact O-OD1 3.11Å; N214-W231 HydrophobicContact CB-CH2 4.18Å; N214-W231 HydrophobicContact CB-CZ3 3.84Å; N214-F232 HydrophobicContact CB-CE2 4.38Å; N214-F232 HydrophobicContact CB-CZ 3.91Å; N214-F232 WeakPolarHBondContact OD1-CZ 3.41Å; N214-N249 PolarHBondContact ND2-OD1 2.91Å; N214-N249 WeakPolarHBondContact OD1-CB 3.45Å; N214-D250 PolarHBondContact OD1-N 3.29Å
215	Y	98.3	Very high	98.6	Very high	51 Å²	51	29.8 Å²	29.8	20%	0.2	16%	0.159	C	C	.	.	S	Bend	trans	-142.8	-176.2	-161.1	-158.3	-128.2	0	0	0	113	R213 F227 I228 W231	R213-Y215 PolarHBondContact NH2-O 3.38Å; Y215-F227 HydrophobicContact CD1-CE1 4.39Å; Y215-F227 AromaticContact CE1-CD1 3.69Å; Y215-F227 HydrophobicContact CE1-CD1 3.69Å; Y215-F227 AromaticContact CE1-CE1 3.35Å; Y215-F227 HydrophobicContact CE1-CE1 3.35Å; Y215-F227 HydrophobicContact CE1-CG 4.46Å; Y215-F227 AromaticContact CE1-CZ 3.87Å; Y215-F227 HydrophobicContact CE1-CZ 3.87Å; Y215-F227 AromaticContact CZ-CE1 3.65Å; Y215-F227 AromaticContact CZ-CZ 3.75Å; Y215-F227 WeakPolarHBondContact OH-CE1 3.25Å; Y215-F227 WeakPolarHBondContact OH-CZ 3.13Å; Y215-I228 HydrophobicContact CD1-CG1 4.34Å; Y215-W231 HydrophobicContact CD1-CB 3.81Å; Y215-W231 HydrophobicContact CD1-CD2 4.08Å; Y215-W231 HydrophobicContact CD1-CE3 4.43Å; Y215-W231 AromaticContact CD1-CG 3.81Å; Y215-W231 HydrophobicContact CD1-CG 3.81Å; Y215-W231 AromaticContact CD2-CD1 3.8Å; Y215-W231 AromaticContact CD2-CD2 3.56Å; Y215-W231 HydrophobicContact CD2-CD2 3.56Å; Y215-W231 AromaticContact CD2-CE2 3.45Å; Y215-W231 VanDerWaalsContact CD2-CE2 3.45Å; Y215-W231 HydrophobicContact CD2-CE3 4.13Å; Y215-W231 AromaticContact CD2-CG 3.79Å; Y215-W231 HydrophobicContact CD2-CG 3.79Å; Y215-W231 HydrophobicContact CD2-CH2 4.47Å; Y215-W231 AromaticContact CD2-CZ2 3.94Å; Y215-W231 HydrophobicContact CD2-CZ2 3.94Å; Y215-W231 AromaticContact CD2-NE1 3.59Å; Y215-W231 HydrophobicContact CE1-CB 3.52Å; Y215-W231 AromaticContact CE1-CD1 3.8Å; Y215-W231 HydrophobicContact CE1-CD2 4.29Å; Y215-W231 AromaticContact CE1-CG 3.58Å; Y215-W231 HydrophobicContact CE1-CG 3.58Å; Y215-W231 HydrophobicContact CE2-CB 4.46Å; Y215-W231 AromaticContact CE2-CD1 3.22Å; Y215-W231 AromaticContact CE2-CD2 3.84Å; Y215-W231 HydrophobicContact CE2-CD2 3.84Å; Y215-W231 AromaticContact CE2-CE2 3.61Å; Y215-W231 AromaticContact CE2-CG 3.61Å; Y215-W231 HydrophobicContact CE2-CG 3.61Å; Y215-W231 HydrophobicContact CE2-CZ2 4.4Å; Y215-W231 AromaticContact CE2-NE1 3.21Å; Y215-W231 HydrophobicContact CG-CB 4.36Å; Y215-W231 AromaticContact CG-CD2 3.7Å; Y215-W231 HydrophobicContact CG-CD2 3.7Å; Y215-W231 AromaticContact CG-CE3 3.93Å; Y215-W231 HydrophobicContact CG-CE3 3.93Å; Y215-W231 AromaticContact CG-CG 3.9Å; Y215-W231 HydrophobicContact CG-CG 3.9Å; Y215-W231 HydrophobicContact CG-CZ3 4.5Å; Y215-W231 AromaticContact CZ-CD1 3.19Å; Y215-W231 AromaticContact CZ-CG 3.48Å; Y215-W231 VanDerWaalsContact CZ-CG 3.48Å; Y215-W231 AromaticContact CZ-NE1 3.73Å
216	A	96.9	Very high	98.6	Very high	45 Å²	45	31.2 Å²	31.2	37%	0.372	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-55.2	153.8	-175.4	0	0	0	0	0	113.5	R213 F227	R213-A216 PolarHBondContact NH2-O 2.92Å; A216-F227 HydrophobicContact CB-CE1 4.2Å
217	D	97.9	Very high	98.6	Very high	71 Å²	71	34.8 Å²	34.8	38%	0.38	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-61.7	133.5	175.8	-75.6	0.9	0	0	0	112.1	R213 Q219 D252	R213-D217 IonicContact CZ-OD1 3.76Å; R213-D217 IonicContact NH1-OD1 3.09Å; R213-D217 PolarHBondContact NH1-OD1 2.74Å; R213-D217 IonicContact NH2-OD1 3.26Å; R213-D217 PolarHBondContact NH2-OD1 3.01Å; D217-Q219 PolarHBondContact O-NE2 3.46Å; D217-D252 WeakPolarHBondContact CA-OD2 3.31Å
218	I	98.7	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-68.7	142.6	171.3	-156.2	166.9	0	0	0	110.4	E34 S224 V225 I228 D252 M253 L255 W273	E34-I218 HydrophobicContact CG-CG2 4.19Å; I218-S224 WeakPolarHBondContact CA-OG 3.31Å; I218-V225 HydrophobicContact CD1-CG2 4.18Å; I218-I228 HydrophobicContact CB-CD1 3.65Å; I218-I228 HydrophobicContact CD1-CD1 3.97Å; I218-I228 HydrophobicContact CG1-CD1 3.65Å; I218-D252 HydrophobicContact CB-CB 3.96Å; I218-D252 HydrophobicContact CG2-CB 3.92Å; I218-D252 WeakPolarHBondContact CG2-OD2 3.45Å; I218-D252 PolarHBondContact N-OD2 3.32Å; I218-M253 WeakPolarHBondContact CD1-O 3.39Å; I218-M253 HydrophobicContact CG2-CB 4.33Å; I218-M253 HydrophobicContact CG2-CE 4.26Å; I218-L255 HydrophobicContact CD1-CD1 3.93Å; I218-L255 HydrophobicContact CD1-CD2 4.3Å; I218-L255 HydrophobicContact CD1-CG 3.91Å; I218-L255 HydrophobicContact CG1-CD1 4.02Å; I218-L255 HydrophobicContact CG1-CD2 4.21Å; I218-L255 HydrophobicContact CG1-CG 4.22Å; I218-L255 HydrophobicContact CG2-CD2 4.11Å; I218-W273 HydrophobicContact CD1-CH2 4.28Å; I218-W273 HydrophobicContact CD1-CZ2 3.82Å
219	Q	98.8	Very high	98.7	Very high	77 Å²	77	31 Å²	31	36%	0.36	16%	0.158	S	C	.	.			trans	-126.2	149.5	174.9	-50.4	-54.3	-41.3	0	0	108.5	R37 D217 S221 S224 L255	R37-Q219 VanDerWaalsContact NH1-OE1 3.07Å; D217-Q219 PolarHBondContact O-NE2 3.46Å; Q219-S221 PolarHBondContact O-N 2.85Å; Q219-S224 PolarHBondContact N-OG 2.92Å; Q219-S224 WeakPolarHBondContact O-CB 3.38Å; Q219-L255 WeakPolarHBondContact O-CD1 3.35Å
220	D	98.8	Very high	98.7	Very high	40 Å²	40	34.7 Å²	34.7	21%	0.214	18%	0.178	C	C	.	.	S	Bend	trans	-61.9	72.3	-179.8	-164.5	13.9	0	0	0	114	E34 N258 F259 G260	E34-D220 WeakPolarHBondContact OE1-CB 3.26Å; E34-D220 PolarHBondContact OE1-N 3.26Å; E34-D220 VanDerWaalsContact OE1-N 3.15Å; D220-N258 WeakPolarHBondContact OD2-CB 3.28Å; D220-F259 WeakPolarHBondContact OD2-CA 3.44Å; D220-F259 WeakPolarHBondContact OD2-CB 3.19Å; D220-F259 WeakPolarHBondContact OD2-CD2 3.35Å; D220-F259 PolarHBondContact OD2-N 2.98Å; D220-G260 VanDerWaalsContact OD1-CA 3.22Å; D220-G260 WeakPolarHBondContact OD1-CA 3.43Å; D220-G260 PolarHBondContact OD1-N 3.41Å; D220-G260 PolarHBondContact OD2-N 3.11Å
221	S	98.9	Very high	98.7	Very high	40 Å²	40	35.9 Å²	35.9	28%	0.28	18%	0.182	S	C	.	.	S	Bend	trans	-162.5	144.2	179.9	67.2	0	0	0	0	110.7	Q219 Q223 S224 V225	Q219-S221 PolarHBondContact O-N 2.85Å; S221-Q223 PolarHBondContact O-N 2.88Å; S221-S224 PolarHBondContact O-N 2.9Å; S221-S224 VanDerWaalsContact O-N 3.13Å; S221-S224 WeakPolarHBondContact OG-CB 3.44Å; S221-S224 PolarHBondContact OG-N 3.14Å; S221-V225 PolarHBondContact O-N 2.62Å
222	W	98.8	Very high	98.7	Very high	36 Å²	36	36.1 Å²	36.1	14%	0.136	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-31.6	173	-175.2	-125.5	0	0	0	113.3	S224 V225 L226 L261 Q265 A268 F341	W222-S224 VanDerWaalsContact C-N 3.3Å; W222-S224 PolarHBondContact O-N 3.11Å; W222-V225 HydrophobicContact CE3-CB 3.76Å; W222-V225 HydrophobicContact CE3-CG1 3.74Å; W222-V225 HydrophobicContact CE3-CG2 4.22Å; W222-V225 HydrophobicContact CH2-CG1 4.12Å; W222-V225 HydrophobicContact CZ3-CB 3.98Å; W222-V225 HydrophobicContact CZ3-CG1 3.39Å; W222-V225 PolarHBondContact O-N 3.3Å; W222-L226 HydrophobicContact CD2-CG 4.22Å; W222-L226 HydrophobicContact CG-CG 4.47Å; W222-L226 HydrophobicContact CH2-CD2 4.34Å; W222-L226 HydrophobicContact CZ2-CD2 3.67Å; W222-L226 HydrophobicContact CZ2-CG 4.13Å; W222-L226 WeakPolarHBondContact O-CG 3.2Å; W222-L226 PolarHBondContact O-N 3.38Å; W222-L261 HydrophobicContact CB-CD2 4.22Å; W222-L261 HydrophobicContact CE3-CD2 4.12Å; W222-Q265 HydrophobicContact CB-CG 4.44Å; W222-Q265 HydrophobicContact CD2-CB 4.06Å; W222-Q265 HydrophobicContact CD2-CG 3.55Å; W222-Q265 HydrophobicContact CE3-CB 3.59Å; W222-Q265 HydrophobicContact CE3-CG 3.64Å; W222-Q265 HydrophobicContact CG-CG 3.91Å; W222-Q265 HydrophobicContact CH2-CG 4.4Å; W222-Q265 HydrophobicContact CZ2-CG 4.31Å; W222-Q265 HydrophobicContact CZ3-CB 3.85Å; W222-Q265 HydrophobicContact CZ3-CG 4.06Å; W222-A268 HydrophobicContact CH2-CB 3.67Å; W222-A268 HydrophobicContact CZ3-CB 4.14Å; W222-F341 AromaticContact CH2-CE2 3.87Å; W222-F341 HydrophobicContact CH2-CE2 3.87Å; W222-F341 AromaticContact CH2-CZ 3.94Å; W222-F341 HydrophobicContact CH2-CZ 3.94Å; W222-F341 AromaticContact CZ2-CE2 3.7Å; W222-F341 HydrophobicContact CZ2-CE2 3.7Å; W222-F341 AromaticContact CZ2-CZ 3.6Å; W222-F341 HydrophobicContact CZ2-CZ 3.6Å
223	Q	98.8	Very high	98.6	Very high	133 Å²	133	36.5 Å²	36.5	62%	0.621	19%	0.185	S	C	*	.	H	α-helix	trans	-62.2	-38.3	176.8	-176.4	57.8	53.6	0	0	112	S221 F227	S221-Q223 PolarHBondContact O-N 2.88Å; Q223-F227 VanDerWaalsContact O-CB 3.26Å; Q223-F227 WeakPolarHBondContact O-CB 3.49Å; Q223-F227 PolarHBondContact O-N 3.24Å
224	S	98.8	Very high	98.6	Very high	13 Å²	13	43.7 Å²	43.7	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-67.4	-44.1	176.2	-174.7	0	0	0	0	111.3	I218 Q219 S221 W222 L226 F227 I228	I218-S224 WeakPolarHBondContact CA-OG 3.31Å; Q219-S224 PolarHBondContact N-OG 2.92Å; Q219-S224 WeakPolarHBondContact O-CB 3.38Å; S221-S224 PolarHBondContact O-N 2.9Å; S221-S224 VanDerWaalsContact O-N 3.13Å; S221-S224 WeakPolarHBondContact OG-CB 3.44Å; S221-S224 PolarHBondContact OG-N 3.14Å; W222-S224 VanDerWaalsContact C-N 3.3Å; W222-S224 PolarHBondContact O-N 3.11Å; S224-L226 PolarHBondContact O-N 3.35Å; S224-F227 WeakPolarHBondContact O-CB 3.34Å; S224-F227 PolarHBondContact O-N 3.22Å; S224-F227 VanDerWaalsContact O-N 3.13Å; S224-I228 PolarHBondContact O-N 3.36Å
225	V	98.9	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56	-49.8	174.2	172	0	0	0	0	111.3	I218 S221 W222 F227 I228 L229 L255 L261 Q269 W273	I218-V225 HydrophobicContact CD1-CG2 4.18Å; S221-V225 PolarHBondContact O-N 2.62Å; W222-V225 HydrophobicContact CE3-CB 3.76Å; W222-V225 HydrophobicContact CE3-CG1 3.74Å; W222-V225 HydrophobicContact CE3-CG2 4.22Å; W222-V225 HydrophobicContact CH2-CG1 4.12Å; W222-V225 HydrophobicContact CZ3-CB 3.98Å; W222-V225 HydrophobicContact CZ3-CG1 3.39Å; W222-V225 PolarHBondContact O-N 3.3Å; V225-F227 VanDerWaalsContact C-N 3.32Å; V225-F227 PolarHBondContact O-N 3.42Å; V225-I228 PolarHBondContact O-N 2.57Å; V225-L229 WeakPolarHBondContact O-CB 3.25Å; V225-L229 PolarHBondContact O-N 2.92Å; V225-L255 HydrophobicContact CG2-CD1 3.72Å; V225-L261 HydrophobicContact CG2-CD1 4.39Å; V225-L261 HydrophobicContact CG2-CD2 4.18Å; V225-Q269 HydrophobicContact CG2-CG 4.46Å; V225-W273 HydrophobicContact CB-CH2 4.4Å; V225-W273 HydrophobicContact CG1-CH2 3.79Å; V225-W273 HydrophobicContact CG1-CZ3 3.74Å; V225-W273 HydrophobicContact CG2-CH2 4.4Å
226	L	98.8	Very high	98.7	Very high	34 Å²	34	44 Å²	44	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-36	177.4	-70.1	-177.5	0	0	0	112.6	W222 S224 N230 F341	W222-L226 HydrophobicContact CD2-CG 4.22Å; W222-L226 HydrophobicContact CG-CG 4.47Å; W222-L226 HydrophobicContact CH2-CD2 4.34Å; W222-L226 HydrophobicContact CZ2-CD2 3.67Å; W222-L226 HydrophobicContact CZ2-CG 4.13Å; W222-L226 WeakPolarHBondContact O-CG 3.2Å; W222-L226 PolarHBondContact O-N 3.38Å; S224-L226 PolarHBondContact O-N 3.35Å; L226-N230 WeakPolarHBondContact O-CB 3.27Å; L226-N230 PolarHBondContact O-N 2.84Å; L226-N230 PolarHBondContact O-ND2 3.37Å; L226-F341 HydrophobicContact CD2-CE1 4.27Å; L226-F341 HydrophobicContact CD2-CZ 3.86Å
227	F	98.8	Very high	98.8	Very high	100 Å²	100	47.7 Å²	47.7	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-45.7	178.8	-177.6	-113.8	0	0	0	111.3	Y215 A216 Q223 S224 V225 W231	Y215-F227 HydrophobicContact CD1-CE1 4.39Å; Y215-F227 AromaticContact CE1-CD1 3.69Å; Y215-F227 HydrophobicContact CE1-CD1 3.69Å; Y215-F227 AromaticContact CE1-CE1 3.35Å; Y215-F227 HydrophobicContact CE1-CE1 3.35Å; Y215-F227 HydrophobicContact CE1-CG 4.46Å; Y215-F227 AromaticContact CE1-CZ 3.87Å; Y215-F227 HydrophobicContact CE1-CZ 3.87Å; Y215-F227 AromaticContact CZ-CE1 3.65Å; Y215-F227 AromaticContact CZ-CZ 3.75Å; Y215-F227 WeakPolarHBondContact OH-CE1 3.25Å; Y215-F227 WeakPolarHBondContact OH-CZ 3.13Å; A216-F227 HydrophobicContact CB-CE1 4.2Å; Q223-F227 VanDerWaalsContact O-CB 3.26Å; Q223-F227 WeakPolarHBondContact O-CB 3.49Å; Q223-F227 PolarHBondContact O-N 3.24Å; S224-F227 WeakPolarHBondContact O-CB 3.34Å; S224-F227 PolarHBondContact O-N 3.22Å; S224-F227 VanDerWaalsContact O-N 3.13Å; V225-F227 VanDerWaalsContact C-N 3.32Å; V225-F227 PolarHBondContact O-N 3.42Å; F227-W231 PolarHBondContact O-N 3.12Å
228	I	98.9	Very high	98.8	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-52.5	175.2	-68.5	165.9	0	0	0	110.4	Y215 I218 S224 V225 N230 W231 F232 P251	Y215-I228 HydrophobicContact CD1-CG1 4.34Å; I218-I228 HydrophobicContact CB-CD1 3.65Å; I218-I228 HydrophobicContact CD1-CD1 3.97Å; I218-I228 HydrophobicContact CG1-CD1 3.65Å; S224-I228 PolarHBondContact O-N 3.36Å; V225-I228 PolarHBondContact O-N 2.57Å; I228-N230 VanDerWaalsContact C-N 3.32Å; I228-N230 PolarHBondContact O-N 3.49Å; I228-W231 PolarHBondContact O-N 3.35Å; I228-F232 HydrophobicContact CG2-CD2 3.79Å; I228-F232 HydrophobicContact CG2-CE2 3.88Å; I228-F232 WeakPolarHBondContact O-CD2 3.25Å; I228-F232 PolarHBondContact O-N 2.92Å; I228-P251 HydrophobicContact CG2-CB 3.77Å
229	L	98.8	Very high	98.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-55.6	-47.1	-179.1	-178.1	69.5	0	0	0	111.7	V225 W231 F232 V233 L272 L276 Y327 F341	V225-L229 WeakPolarHBondContact O-CB 3.25Å; V225-L229 PolarHBondContact O-N 2.92Å; L229-W231 VanDerWaalsContact C-N 3.3Å; L229-W231 PolarHBondContact O-N 3.48Å; L229-F232 PolarHBondContact O-N 3.42Å; L229-V233 HydrophobicContact CD1-CG2 4.23Å; L229-V233 HydrophobicContact CG-CG2 4.39Å; L229-V233 WeakPolarHBondContact O-CB 3.3Å; L229-V233 VanDerWaalsContact O-CG2 3.23Å; L229-V233 WeakPolarHBondContact O-CG2 3.45Å; L229-V233 PolarHBondContact O-N 3.25Å; L229-L272 HydrophobicContact CD1-CB 4.41Å; L229-L272 HydrophobicContact CD1-CD1 4.35Å; L229-L272 HydrophobicContact CD1-CD2 4.2Å; L229-L272 HydrophobicContact CD2-CD1 3.74Å; L229-L272 HydrophobicContact CD2-CD2 4.45Å; L229-L276 HydrophobicContact CD1-CD1 4.17Å; L229-Y327 HydrophobicContact CD1-CE1 4.08Å; L229-F341 HydrophobicContact CD2-CD1 4.27Å; L229-F341 HydrophobicContact CD2-CE1 3.73Å; L229-F341 HydrophobicContact CD2-CZ 4.44Å
230	N	98.8	Very high	98.8	Very high	77 Å²	77	45.5 Å²	45.5	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-38.4	179.1	-78.2	-44.6	0	0	0	112.2	L226 I228 K234	L226-N230 WeakPolarHBondContact O-CB 3.27Å; L226-N230 PolarHBondContact O-N 2.84Å; L226-N230 PolarHBondContact O-ND2 3.37Å; I228-N230 VanDerWaalsContact C-N 3.32Å; I228-N230 PolarHBondContact O-N 3.49Å; N230-K234 WeakPolarHBondContact O-CB 3.46Å; N230-K234 PolarHBondContact O-N 3.14Å
231	W	98.9	Very high	98.8	Very high	26 Å²	26	47.8 Å²	47.8	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-48.7	177.4	-170.7	92.5	0	0	0	111.5	G195 L196 N214 Y215 F227 I228 L229 V233 K234 H235 L239	G195-W231 WeakPolarHBondContact O-CH2 3.47Å; L196-W231 HydrophobicContact CD1-CZ2 4.24Å; L196-W231 HydrophobicContact CD2-CH2 4.14Å; L196-W231 HydrophobicContact CD2-CZ2 4.01Å; L196-W231 HydrophobicContact CG-CH2 4.35Å; L196-W231 HydrophobicContact CG-CZ2 3.84Å; N214-W231 HydrophobicContact CB-CH2 4.18Å; N214-W231 HydrophobicContact CB-CZ3 3.84Å; Y215-W231 HydrophobicContact CD1-CB 3.81Å; Y215-W231 HydrophobicContact CD1-CD2 4.08Å; Y215-W231 HydrophobicContact CD1-CE3 4.43Å; Y215-W231 AromaticContact CD1-CG 3.81Å; Y215-W231 HydrophobicContact CD1-CG 3.81Å; Y215-W231 AromaticContact CD2-CD1 3.8Å; Y215-W231 AromaticContact CD2-CD2 3.56Å; Y215-W231 HydrophobicContact CD2-CD2 3.56Å; Y215-W231 AromaticContact CD2-CE2 3.45Å; Y215-W231 VanDerWaalsContact CD2-CE2 3.45Å; Y215-W231 HydrophobicContact CD2-CE3 4.13Å; Y215-W231 AromaticContact CD2-CG 3.79Å; Y215-W231 HydrophobicContact CD2-CG 3.79Å; Y215-W231 HydrophobicContact CD2-CH2 4.47Å; Y215-W231 AromaticContact CD2-CZ2 3.94Å; Y215-W231 HydrophobicContact CD2-CZ2 3.94Å; Y215-W231 AromaticContact CD2-NE1 3.59Å; Y215-W231 HydrophobicContact CE1-CB 3.52Å; Y215-W231 AromaticContact CE1-CD1 3.8Å; Y215-W231 HydrophobicContact CE1-CD2 4.29Å; Y215-W231 AromaticContact CE1-CG 3.58Å; Y215-W231 HydrophobicContact CE1-CG 3.58Å; Y215-W231 HydrophobicContact CE2-CB 4.46Å; Y215-W231 AromaticContact CE2-CD1 3.22Å; Y215-W231 AromaticContact CE2-CD2 3.84Å; Y215-W231 HydrophobicContact CE2-CD2 3.84Å; Y215-W231 AromaticContact CE2-CE2 3.61Å; Y215-W231 AromaticContact CE2-CG 3.61Å; Y215-W231 HydrophobicContact CE2-CG 3.61Å; Y215-W231 HydrophobicContact CE2-CZ2 4.4Å; Y215-W231 AromaticContact CE2-NE1 3.21Å; Y215-W231 HydrophobicContact CG-CB 4.36Å; Y215-W231 AromaticContact CG-CD2 3.7Å; Y215-W231 HydrophobicContact CG-CD2 3.7Å; Y215-W231 AromaticContact CG-CE3 3.93Å; Y215-W231 HydrophobicContact CG-CE3 3.93Å; Y215-W231 AromaticContact CG-CG 3.9Å; Y215-W231 HydrophobicContact CG-CG 3.9Å; Y215-W231 HydrophobicContact CG-CZ3 4.5Å; Y215-W231 AromaticContact CZ-CD1 3.19Å; Y215-W231 AromaticContact CZ-CG 3.48Å; Y215-W231 VanDerWaalsContact CZ-CG 3.48Å; Y215-W231 AromaticContact CZ-NE1 3.73Å; F227-W231 PolarHBondContact O-N 3.12Å; I228-W231 PolarHBondContact O-N 3.35Å; L229-W231 VanDerWaalsContact C-N 3.3Å; L229-W231 PolarHBondContact O-N 3.48Å; W231-V233 VanDerWaalsContact C-N 3.31Å; W231-V233 PolarHBondContact O-N 3.39Å; W231-K234 PolarHBondContact O-N 2.93Å; W231-H235 AromaticContact CD1-CD2 3.83Å; W231-H235 AromaticContact CD1-NE2 3.96Å; W231-H235 AromaticContact CD2-CD2 3.69Å; W231-H235 AromaticContact CE2-CD2 3.47Å; W231-H235 VanDerWaalsContact CE2-CD2 3.47Å; W231-H235 AromaticContact CG-CD2 3.93Å; W231-H235 AromaticContact CZ2-CD2 3.94Å; W231-H235 AromaticContact NE1-CD2 3.55Å; W231-H235 AromaticContact NE1-NE2 3.64Å; W231-H235 PolarHBondContact O-CD2 3.34Å; W231-H235 PolarHBondContact O-N 3.46Å; W231-H235 VanDerWaalsContact O-N 3.11Å; W231-L239 HydrophobicContact CE3-CD1 4.08Å; W231-L239 HydrophobicContact CH2-CD1 4.19Å; W231-L239 HydrophobicContact CZ3-CD1 3.47Å; W231-L239 VanDerWaalsContact CZ3-CD1 3.47Å; W231-L239 HydrophobicContact CZ3-CD2 4.44Å
232	F	98.9	Very high	98.8	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.022	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-44.7	177.2	-90.4	-103.2	0	0	0	111.9	N214 I228 L229 H235 Q236 L239 N249 P251	N214-F232 HydrophobicContact CB-CE2 4.38Å; N214-F232 HydrophobicContact CB-CZ 3.91Å; N214-F232 WeakPolarHBondContact OD1-CZ 3.41Å; I228-F232 HydrophobicContact CG2-CD2 3.79Å; I228-F232 HydrophobicContact CG2-CE2 3.88Å; I228-F232 WeakPolarHBondContact O-CD2 3.25Å; I228-F232 PolarHBondContact O-N 2.92Å; L229-F232 PolarHBondContact O-N 3.42Å; F232-H235 CarbonylContact O-C 3.43Å; F232-H235 PolarHBondContact O-N 2.98Å; F232-Q236 WeakPolarHBondContact O-CA 3.41Å; F232-Q236 PolarHBondContact O-N 3Å; F232-L239 HydrophobicContact CD1-CD1 3.98Å; F232-L239 HydrophobicContact CE1-CD1 4.37Å; F232-L239 HydrophobicContact CG-CD1 4.3Å; F232-N249 HydrophobicContact CE1-CB 3.96Å; F232-P251 HydrophobicContact CD2-CB 4.28Å; F232-P251 HydrophobicContact CE1-CB 4.12Å; F232-P251 HydrophobicContact CE2-CB 3.7Å; F232-P251 HydrophobicContact CZ-CB 3.62Å
233	V	98.8	Very high	98.8	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-70	-36.8	179.5	174.3	0	0	0	0	112.2	L229 W231 H235 Q236 R316 Y327	L229-V233 HydrophobicContact CD1-CG2 4.23Å; L229-V233 HydrophobicContact CG-CG2 4.39Å; L229-V233 WeakPolarHBondContact O-CB 3.3Å; L229-V233 VanDerWaalsContact O-CG2 3.23Å; L229-V233 WeakPolarHBondContact O-CG2 3.45Å; L229-V233 PolarHBondContact O-N 3.25Å; W231-V233 VanDerWaalsContact C-N 3.31Å; W231-V233 PolarHBondContact O-N 3.39Å; V233-H235 PolarHBondContact O-N 3.18Å; V233-Q236 VanDerWaalsContact O-CG 3.28Å; V233-Q236 WeakPolarHBondContact O-CG 3.24Å; V233-Q236 PolarHBondContact O-N 3.26Å; V233-R316 HydrophobicContact CG1-CB 3.76Å; V233-R316 HydrophobicContact CG1-CG 4.48Å; V233-R316 HydrophobicContact CG2-CB 4.3Å; V233-Y327 HydrophobicContact CG2-CE1 3.61Å; V233-Y327 WeakPolarHBondContact CG2-OH 3.4Å
234	K	98.8	Very high	98.8	Very high	159 Å²	159	40 Å²	40	69%	0.691	21%	0.206	S	C	*	.	H	α-helix	trans	-61.4	-30.4	174.3	-178.4	-179.6	176.3	-172.5	0	111.9	N230 W231	N230-K234 WeakPolarHBondContact O-CB 3.46Å; N230-K234 PolarHBondContact O-N 3.14Å; W231-K234 PolarHBondContact O-N 2.93Å
235	H	98.9	Very high	98.8	Very high	29 Å²	29	42 Å²	42	13%	0.134	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	13.8	-175	-60.9	-61.5	0	0	0	113.6	L196 W231 F232 V233 D237 I238 L239	L196-H235 VanDerWaalsContact CD1-CE1 3.44Å; L196-H235 WeakPolarHBondContact CD1-CE1 3.37Å; L196-H235 HydrophobicContact CD2-CB 3.84Å; W231-H235 AromaticContact CD1-CD2 3.83Å; W231-H235 AromaticContact CD1-NE2 3.96Å; W231-H235 AromaticContact CD2-CD2 3.69Å; W231-H235 AromaticContact CE2-CD2 3.47Å; W231-H235 VanDerWaalsContact CE2-CD2 3.47Å; W231-H235 AromaticContact CG-CD2 3.93Å; W231-H235 AromaticContact CZ2-CD2 3.94Å; W231-H235 AromaticContact NE1-CD2 3.55Å; W231-H235 AromaticContact NE1-NE2 3.64Å; W231-H235 PolarHBondContact O-CD2 3.34Å; W231-H235 PolarHBondContact O-N 3.46Å; W231-H235 VanDerWaalsContact O-N 3.11Å; F232-H235 CarbonylContact O-C 3.43Å; F232-H235 PolarHBondContact O-N 2.98Å; V233-H235 PolarHBondContact O-N 3.18Å; H235-D237 PolarHBondContact O-N 3.19Å; H235-D237 VanDerWaalsContact O-N 3.12Å; H235-I238 WeakPolarHBondContact O-CB 3.47Å; H235-I238 PolarHBondContact O-N 3.27Å; H235-L239 HydrophobicContact CB-CD1 3.88Å; H235-L239 HydrophobicContact CB-CG 4.18Å; H235-L239 WeakPolarHBondContact O-CG 3.07Å; H235-L239 PolarHBondContact O-N 3.35Å
236	Q	98.8	Very high	98.8	Very high	28 Å²	28	42.6 Å²	42.6	13%	0.131	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-25.7	-172.4	66.9	176.5	5.4	0	0	114.1	F232 V233 I238 Q240 R315 R316	F232-Q236 WeakPolarHBondContact O-CA 3.41Å; F232-Q236 PolarHBondContact O-N 3Å; V233-Q236 VanDerWaalsContact O-CG 3.28Å; V233-Q236 WeakPolarHBondContact O-CG 3.24Å; V233-Q236 PolarHBondContact O-N 3.26Å; Q236-I238 PolarHBondContact O-N 3.11Å; Q236-Q240 WeakPolarHBondContact O-CB 3.35Å; Q236-Q240 PolarHBondContact O-N 2.87Å; Q236-R315 VanDerWaalsContact C-NH1 3.34Å; Q236-R315 PolarHBondContact O-NH1 3.2Å; Q236-R316 PolarHBondContact NE2-O 2.91Å; Q236-R316 VanDerWaalsContact NE2-O 3.12Å
237	D	98.8	Very high	98.8	Very high	123 Å²	123	43.6 Å²	43.6	66%	0.658	23%	0.228	S	C	*	.	H	α-helix	trans	-64.2	-26.1	175.2	-66.5	-19.1	0	0	0	112.5	H235 R315	H235-D237 PolarHBondContact O-N 3.19Å; H235-D237 VanDerWaalsContact O-N 3.12Å; D237-R315 IonicContact OD1-CZ 3.67Å; D237-R315 IonicContact OD1-NH1 3.5Å; D237-R315 IonicContact OD1-NH2 3.56Å; D237-R315 PolarHBondContact OD1-NH2 3.38Å
238	I	98.8	Very high	98.8	Very high	66 Å²	66	38.8 Å²	38.8	34%	0.338	21%	0.207	S	C	.	.	H	α-helix	trans	-93.6	-44.4	177.2	-62.7	167.6	0	0	0	110.1	L196 P197 Y202 H235 Q236	L196-I238 HydrophobicContact CD2-CD1 4.18Å; P197-I238 HydrophobicContact CG-CG2 4.01Å; Y202-I238 HydrophobicContact CD2-CG2 4.23Å; Y202-I238 HydrophobicContact CE2-CG2 4.17Å; H235-I238 WeakPolarHBondContact O-CB 3.47Å; H235-I238 PolarHBondContact O-N 3.27Å; Q236-I238 PolarHBondContact O-N 3.11Å
239	L	98.9	Very high	98.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-82.3	-38.7	-168.8	-58.9	175.2	0	0	0	113.4	Y202 W231 F232 H235 V242 N249	Y202-L239 HydrophobicContact CE1-CD2 4.33Å; Y202-L239 HydrophobicContact CE2-CD2 3.79Å; Y202-L239 VanDerWaalsContact OH-CD2 3.26Å; Y202-L239 WeakPolarHBondContact OH-CD2 3.49Å; W231-L239 HydrophobicContact CE3-CD1 4.08Å; W231-L239 HydrophobicContact CH2-CD1 4.19Å; W231-L239 HydrophobicContact CZ3-CD1 3.47Å; W231-L239 VanDerWaalsContact CZ3-CD1 3.47Å; W231-L239 HydrophobicContact CZ3-CD2 4.44Å; F232-L239 HydrophobicContact CD1-CD1 3.98Å; F232-L239 HydrophobicContact CE1-CD1 4.37Å; F232-L239 HydrophobicContact CG-CD1 4.3Å; H235-L239 HydrophobicContact CB-CD1 3.88Å; H235-L239 HydrophobicContact CB-CG 4.18Å; H235-L239 WeakPolarHBondContact O-CG 3.07Å; H235-L239 PolarHBondContact O-N 3.35Å; L239-V242 WeakPolarHBondContact O-CG2 3.22Å; L239-V242 PolarHBondContact O-N 3.32Å; L239-N249 PolarHBondContact O-ND2 2.9Å
240	Q	98.9	Very high	98.8	Very high	37 Å²	37	39.1 Å²	39.1	17%	0.173	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63.5	-40.6	-174.5	-175.9	-88.1	-31.3	0	0	113.5	Q236 V242 Q313 R315	Q236-Q240 WeakPolarHBondContact O-CB 3.35Å; Q236-Q240 PolarHBondContact O-N 2.87Å; Q240-V242 PolarHBondContact O-N 3.4Å; Q240-Q313 HydrophobicContact CB-CG 4.37Å; Q240-Q313 HydrophobicContact CG-CB 4.05Å; Q240-Q313 HydrophobicContact CG-CG 3.94Å; Q240-Q313 WeakPolarHBondContact CG-O 3.35Å; Q240-Q313 PolarHBondContact NE2-O 2.73Å; Q240-R315 HydrophobicContact CB-CG 4.17Å; Q240-R315 HydrophobicContact CG-CG 3.66Å
241	P	98.8	Very high	98.8	Very high	87 Å²	87	35.7 Å²	35.7	57%	0.565	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-70.4	-15.5	-179.2	-21.5	34.5	0	0	0	115.1
242	V	98.7	Very high	98.8	Very high	30 Å²	30	34.8 Å²	34.8	18%	0.182	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-94.1	-9.4	-174.6	-57	0	0	0	0	113.3	Y202 W212 L239 Q240 H247	Y202-V242 HydrophobicContact CD1-CG2 3.93Å; Y202-V242 HydrophobicContact CG-CB 4.39Å; Y202-V242 HydrophobicContact CG-CG1 4.23Å; Y202-V242 HydrophobicContact CG-CG2 3.97Å; W212-V242 HydrophobicContact CZ2-CB 4.48Å; W212-V242 HydrophobicContact CZ2-CG2 4.16Å; L239-V242 WeakPolarHBondContact O-CG2 3.22Å; L239-V242 PolarHBondContact O-N 3.32Å; Q240-V242 PolarHBondContact O-N 3.4Å; V242-H247 PolarHBondContact O-CE1 3.01Å; V242-H247 PolarHBondContact O-ND1 2.64Å
243	A	98.8	Very high	98.8	Very high	12 Å²	12	34.7 Å²	34.7	10%	0.099	19%	0.187	C	C	.	.			trans	-87.7	140	173.7	0	0	0	0	0	111.3	H247 Q313	A243-H247 WeakPolarHBondContact CA-O 3.3Å; A243-Q313 HydrophobicContact CB-CB 3.86Å; A243-Q313 VanDerWaalsContact CB-OE1 3.31Å
244	G	98.6	Very high	98.8	Very high	5 Å²	5	34.4 Å²	34.4	5%	0.052	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-177.1	179.5	177.1	0	0	0	0	0	112.4	G246 H247 W248	G244-G246 PolarHBondContact O-N 3.23Å; G244-G246 VanDerWaalsContact O-N 3.16Å; G244-H247 PolarHBondContact N-ND1 3.32Å; G244-H247 PolarHBondContact N-O 2.75Å; G244-H247 CarbonylContact O-C 3.55Å; G244-H247 PolarHBondContact O-N 3.32Å; G244-H247 VanDerWaalsContact O-O 3.04Å; G244-W248 WeakPolarHBondContact O-CZ2 3.19Å
245	P	98.8	Very high	98.8	Very high	53 Å²	53	26.9 Å²	26.9	34%	0.344	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	121.5	177.1	-28.7	37.4	0	0	0	112	Q24 H247	Q24-P245 HydrophobicContact CB-CB 4.47Å; Q24-P245 WeakPolarHBondContact O-CB 3.33Å; Q24-P245 VanDerWaalsContact OE1-C 3.31Å; P245-H247 PolarHBondContact O-CD2 2.77Å
246	G	98.3	Very high	98.8	Very high	13 Å²	13	25.5 Å²	25.5	13%	0.134	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-10.7	-179.8	0	0	0	0	0	115.3	L23 N210 G244	L23-G246 VanDerWaalsContact O-CA 3.3Å; L23-G246 WeakPolarHBondContact O-CA 3.36Å; L23-G246 PolarHBondContact O-N 2.7Å; N210-G246 WeakPolarHBondContact CA-O 3.4Å; N210-G246 PolarHBondContact ND2-O 3.03Å; G244-G246 PolarHBondContact O-N 3.23Å; G244-G246 VanDerWaalsContact O-N 3.16Å
247	H	98.8	Very high	98.8	Very high	55 Å²	55	25.1 Å²	25.1	26%	0.255	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-151	104.8	-175.3	56.5	80	0	0	0	113.4	A206 N210 W212 V242 A243 G244 P245	A206-H247 HydrophobicContact CB-CB 4.23Å; N210-H247 CarbonylContact O-C 3.58Å; N210-H247 WeakPolarHBondContact O-CA 3.48Å; W212-H247 HydrophobicContact CH2-CB 3.71Å; W212-H247 HydrophobicContact CZ3-CB 3.75Å; V242-H247 PolarHBondContact O-CE1 3.01Å; V242-H247 PolarHBondContact O-ND1 2.64Å; A243-H247 WeakPolarHBondContact CA-O 3.3Å; G244-H247 PolarHBondContact N-ND1 3.32Å; G244-H247 PolarHBondContact N-O 2.75Å; G244-H247 CarbonylContact O-C 3.55Å; G244-H247 PolarHBondContact O-N 3.32Å; G244-H247 VanDerWaalsContact O-O 3.04Å; P245-H247 PolarHBondContact O-CD2 2.77Å
248	W	98.9	Very high	98.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.4	-169.2	-50.9	96.2	0	0	0	114.3	L23 T25 P26 N210 L211 W212 G244 A277 G311	L23-W248 PolarHBondContact O-NE1 3.02Å; T25-W248 VanDerWaalsContact C-CZ2 3.4Å; T25-W248 VanDerWaalsContact CA-CZ2 3.47Å; P26-W248 HydrophobicContact CB-CD2 4.28Å; P26-W248 HydrophobicContact CG-CD2 3.91Å; P26-W248 HydrophobicContact CG-CE3 3.76Å; P26-W248 HydrophobicContact CG-CH2 3.93Å; P26-W248 HydrophobicContact CG-CZ2 4.07Å; P26-W248 HydrophobicContact CG-CZ3 3.77Å; N210-W248 VanDerWaalsContact O-CD1 3.3Å; N210-W248 PolarHBondContact O-N 3.36Å; L211-W248 CarbonylContact C-O 3.25Å; L211-W248 WeakPolarHBondContact CA-O 3.04Å; L211-W248 HydrophobicContact CB-CB 4.11Å; W212-W248 PolarHBondContact N-O 3.46Å; G244-W248 WeakPolarHBondContact O-CZ2 3.19Å; W248-A277 HydrophobicContact CE3-CB 4.22Å; W248-A277 HydrophobicContact CZ3-CB 3.99Å; W248-G311 VanDerWaalsContact CH2-CA 3.45Å; W248-G311 WeakPolarHBondContact CZ3-O 3.11Å
249	N	98.9	Very high	98.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.8	161.4	-66.3	-61.1	0	0	0	109.8	W212 N214 F232 L239 P279 Q313	W212-N249 PolarHBondContact NE1-OD1 3.19Å; N214-N249 PolarHBondContact ND2-OD1 2.91Å; N214-N249 WeakPolarHBondContact OD1-CB 3.45Å; F232-N249 HydrophobicContact CE1-CB 3.96Å; L239-N249 PolarHBondContact O-ND2 2.9Å; N249-P279 WeakPolarHBondContact O-CD 3.37Å; N249-Q313 PolarHBondContact ND2-OE1 3.05Å
250	D	98.9	Very high	98.8	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.043	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	103.9	179.7	-175.8	6.1	0	0	0	110.8	L211 W212 R213 N214 D252 P279	L211-D250 HydrophobicContact CD1-CB 4.3Å; W212-D250 VanDerWaalsContact O-CB 3.27Å; W212-D250 WeakPolarHBondContact O-CB 3.38Å; W212-D250 PolarHBondContact O-N 2.88Å; R213-D250 WeakPolarHBondContact CD-OD2 3.32Å; R213-D250 HydrophobicContact CG-CB 4.29Å; R213-D250 WeakPolarHBondContact CG-OD2 3.38Å; N214-D250 PolarHBondContact OD1-N 3.29Å; D250-D252 PolarHBondContact O-N 3.31Å; D250-D252 WeakPolarHBondContact OD1-CA 3.38Å; D250-D252 PolarHBondContact OD1-N 2.8Å; D250-P279 HydrophobicContact CB-CG 4.17Å
251	P	98.9	Very high	98.8	Very high	6 Å²	6	25 Å²	25	4%	0.039	15%	0.152	C	C	.	.			trans	-80.5	16.5	173	34.6	-34.2	0	0	0	113.5	I228 F232 W273 A278	I228-P251 HydrophobicContact CG2-CB 3.77Å; F232-P251 HydrophobicContact CD2-CB 4.28Å; F232-P251 HydrophobicContact CE1-CB 4.12Å; F232-P251 HydrophobicContact CE2-CB 3.7Å; F232-P251 HydrophobicContact CZ-CB 3.62Å; P251-W273 HydrophobicContact CB-CZ2 4.35Å; P251-W273 HydrophobicContact CG-CG 4.41Å; P251-A278 HydrophobicContact CG-CB 3.48Å; P251-A278 VanDerWaalsContact CG-CB 3.48Å
252	D	98.8	Very high	98.8	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	14%	0.143	C	C	.	.			trans	75.4	176.6	-179.5	-148.6	6.4	0	0	0	114.5	R213 D217 I218 D250 W273	R213-D252 IonicContact CZ-OD1 2.73Å; R213-D252 IonicContact CZ-OD2 3.81Å; R213-D252 IonicContact NE-OD1 3.59Å; R213-D252 IonicContact NE-OD2 3.75Å; R213-D252 IonicContact NH1-OD1 3.6Å; R213-D252 PolarHBondContact NH1-OD1 3.13Å; R213-D252 IonicContact NH1-OD2 2.77Å; R213-D252 PolarHBondContact NH1-OD2 2.67Å; R213-D252 IonicContact NH2-OD2 2.67Å; R213-D252 PolarHBondContact NH2-OD2 2.78Å; D217-D252 WeakPolarHBondContact CA-OD2 3.31Å; I218-D252 HydrophobicContact CB-CB 3.96Å; I218-D252 HydrophobicContact CG2-CB 3.92Å; I218-D252 WeakPolarHBondContact CG2-OD2 3.45Å; I218-D252 PolarHBondContact N-OD2 3.32Å; D250-D252 PolarHBondContact O-N 3.31Å; D250-D252 WeakPolarHBondContact OD1-CA 3.38Å; D250-D252 PolarHBondContact OD1-N 2.8Å; D252-W273 PolarHBondContact O-NE1 3.5Å
253	M	98.9	Very high	98.8	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	15%	0.146	C	C	.	.			trans	-60.3	159.1	-167.5	-62.4	161.9	-77.6	0	0	115.8	L31 W33 E34 I218 Q269 L281	L31-M253 HydrophobicContact CB-CG 4.49Å; L31-M253 HydrophobicContact CB-SD 4.29Å; L31-M253 HydrophobicContact CD2-SD 3.69Å; L31-M253 HydrophobicContact CG-SD 4.4Å; W33-M253 HydrophobicContact CB-CE 4.01Å; W33-M253 HydrophobicContact CB-SD 4.01Å; W33-M253 HydrophobicContact CG-CE 4.29Å; E34-M253 HydrophobicContact CB-CE 3.74Å; E34-M253 HydrophobicContact CB-SD 3.85Å; E34-M253 HydrophobicContact CG-CE 4.34Å; I218-M253 WeakPolarHBondContact CD1-O 3.39Å; I218-M253 HydrophobicContact CG2-CB 4.33Å; I218-M253 HydrophobicContact CG2-CE 4.26Å; M253-Q269 PolarHBondContact O-NE2 2.84Å; M253-L281 WeakPolarHBondContact CA-O 3.48Å
254	L	98.9	Very high	98.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-78.9	134.4	168.4	-59.6	173.7	0	0	0	110.9	I256 Q269 M270 W273 L280 L281 M282 S283 L297	L254-I256 HydrophobicContact CB-CD1 4.48Å; L254-I256 HydrophobicContact CD2-CD1 4.43Å; L254-Q269 HydrophobicContact CD2-CG 4.22Å; L254-M270 HydrophobicContact CD1-SD 4.14Å; L254-W273 HydrophobicContact CD2-CB 4.04Å; L254-W273 HydrophobicContact CD2-CD2 4.34Å; L254-W273 HydrophobicContact CD2-CG 3.76Å; L254-L280 HydrophobicContact CD1-CB 4.04Å; L254-L280 HydrophobicContact CD1-CD2 4.09Å; L254-L281 PolarHBondContact N-O 3.13Å; L254-M282 HydrophobicContact CD1-CG 4.48Å; L254-S283 PolarHBondContact O-N 2.72Å; L254-L297 HydrophobicContact CD1-CD2 3.72Å
255	L	98.9	Very high	98.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.154	C	C	.	.			trans	-94.6	-5.3	179.2	-57	176.1	0	0	0	113	E34 I218 Q219 V225 G257 N258 L261	E34-L255 VanDerWaalsContact CD-CD2 3.41Å; E34-L255 HydrophobicContact CG-CD2 3.51Å; I218-L255 HydrophobicContact CD1-CD1 3.93Å; I218-L255 HydrophobicContact CD1-CD2 4.3Å; I218-L255 HydrophobicContact CD1-CG 3.91Å; I218-L255 HydrophobicContact CG1-CD1 4.02Å; I218-L255 HydrophobicContact CG1-CD2 4.21Å; I218-L255 HydrophobicContact CG1-CG 4.22Å; I218-L255 HydrophobicContact CG2-CD2 4.11Å; Q219-L255 WeakPolarHBondContact O-CD1 3.35Å; V225-L255 HydrophobicContact CG2-CD1 3.72Å; L255-G257 PolarHBondContact O-N 3.27Å; L255-N258 VanDerWaalsContact O-CB 3.3Å; L255-N258 WeakPolarHBondContact O-CB 3.42Å; L255-N258 PolarHBondContact O-N 3.29Å; L255-L261 HydrophobicContact CB-CD1 3.77Å; L255-L261 HydrophobicContact CB-CG 4Å; L255-L261 HydrophobicContact CD1-CD1 4.17Å; L255-L261 HydrophobicContact CD1-CD2 4.11Å; L255-L261 HydrophobicContact CD1-CG 4.13Å
256	I	98.9	Very high	98.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	127.5	-175.7	-58.5	153.9	0	0	0	109.3	L254 S266 M270 N293 I296 L297	L254-I256 HydrophobicContact CB-CD1 4.48Å; L254-I256 HydrophobicContact CD2-CD1 4.43Å; I256-S266 WeakPolarHBondContact CD1-O 3.44Å; I256-M270 HydrophobicContact CD1-CB 3.72Å; I256-M270 HydrophobicContact CD1-CG 4.44Å; I256-M270 HydrophobicContact CD1-SD 4.25Å; I256-N293 HydrophobicContact CG2-CB 3.97Å; I256-I296 HydrophobicContact CD1-CG2 4.08Å; I256-I296 HydrophobicContact CG2-CB 4.44Å; I256-I296 HydrophobicContact CG2-CG2 4.35Å; I256-L297 HydrophobicContact CB-CD1 4.15Å; I256-L297 HydrophobicContact CB-CD2 4.05Å; I256-L297 HydrophobicContact CB-CG 4.14Å; I256-L297 HydrophobicContact CD1-CD2 3.73Å; I256-L297 HydrophobicContact CD1-CG 4.37Å; I256-L297 HydrophobicContact CG2-CD1 3.84Å; I256-L297 HydrophobicContact CG2-CD2 4.26Å; I256-L297 HydrophobicContact CG2-CG 3.81Å
257	G	98.7	Very high	98.8	Very high	20 Å²	20	27.3 Å²	27.3	21%	0.206	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	-12.1	-173.1	0	0	0	0	0	114.6	L255 T284 N293	L255-G257 PolarHBondContact O-N 3.27Å; G257-T284 WeakPolarHBondContact CA-OG1 3.16Å; G257-T284 PolarHBondContact O-OG1 3.46Å; G257-N293 WeakPolarHBondContact CA-ND2 3.23Å
258	N	98.8	Very high	98.9	Very high	21 Å²	21	24.7 Å²	24.7	11%	0.112	13%	0.134	C	C	.	.	S	Bend	trans	-92.4	-144.3	179	-56.9	-22.8	0	0	0	111.3	E34 D220 L255 S283 T284	E34-N258 PolarHBondContact OE2-ND2 3.28Å; D220-N258 WeakPolarHBondContact OD2-CB 3.28Å; L255-N258 VanDerWaalsContact O-CB 3.3Å; L255-N258 WeakPolarHBondContact O-CB 3.42Å; L255-N258 PolarHBondContact O-N 3.29Å; N258-S283 PolarHBondContact ND2-O 3.21Å; N258-S283 PolarHBondContact OD1-O 3.06Å; N258-T284 VanDerWaalsContact OD1-CA 3.3Å; N258-T284 WeakPolarHBondContact OD1-CA 3.32Å; N258-T284 WeakPolarHBondContact OD1-CB 3.28Å; N258-T284 PolarHBondContact OD1-OG1 3.11Å
259	F	98.6	Very high	98.9	Very high	151 Å²	151	24.7 Å²	24.7	66%	0.662	13%	0.134	S	C	*	.	S	Bend	trans	-116.6	-27	-162.4	-46.8	-75.9	0	0	0	113.8	D220	D220-F259 WeakPolarHBondContact OD2-CA 3.44Å; D220-F259 WeakPolarHBondContact OD2-CB 3.19Å; D220-F259 WeakPolarHBondContact OD2-CD2 3.35Å; D220-F259 PolarHBondContact OD2-N 2.98Å
260	G	98.4	Very high	98.9	Very high	30 Å²	30	24.7 Å²	24.7	31%	0.309	13%	0.134	S	C	.	.	S	Bend	trans	-93.1	-9.1	-167.2	0	0	0	0	0	115.6	D220	D220-G260 VanDerWaalsContact OD1-CA 3.22Å; D220-G260 WeakPolarHBondContact OD1-CA 3.43Å; D220-G260 PolarHBondContact OD1-N 3.41Å; D220-G260 PolarHBondContact OD2-N 3.11Å
261	L	98.9	Very high	98.9	Very high	22 Å²	22	24.3 Å²	24.3	12%	0.115	13%	0.132	C	C	.	.			trans	-107.5	132.5	178.1	-59	-162.6	0	0	0	111.8	W222 V225 L255 Q265 Q269	W222-L261 HydrophobicContact CB-CD2 4.22Å; W222-L261 HydrophobicContact CE3-CD2 4.12Å; V225-L261 HydrophobicContact CG2-CD1 4.39Å; V225-L261 HydrophobicContact CG2-CD2 4.18Å; L255-L261 HydrophobicContact CB-CD1 3.77Å; L255-L261 HydrophobicContact CB-CG 4Å; L255-L261 HydrophobicContact CD1-CD1 4.17Å; L255-L261 HydrophobicContact CD1-CD2 4.11Å; L255-L261 HydrophobicContact CD1-CG 4.13Å; L261-Q265 HydrophobicContact CB-CB 4.05Å; L261-Q265 HydrophobicContact CD2-CB 4.27Å; L261-Q269 HydrophobicContact CD1-CB 4.2Å
262	S	98.9	Very high	98.9	Very high	54 Å²	54	24 Å²	24	38%	0.378	13%	0.13	S	C	.	.			trans	-67.2	172.4	164.5	78	0	0	0	0	111.3	E264 Q265 S266	S262-E264 VanDerWaalsContact C-N 3.34Å; S262-E264 PolarHBondContact O-N 2.92Å; S262-E264 PolarHBondContact OG-N 3.15Å; S262-Q265 PolarHBondContact O-N 2.93Å; S262-Q265 WeakPolarHBondContact OG-CG 3.36Å; S262-Q265 PolarHBondContact OG-N 3.4Å; S262-S266 WeakPolarHBondContact O-CB 3.2Å; S262-S266 PolarHBondContact O-N 2.88Å; S262-S266 PolarHBondContact O-OG 3.49Å
263	L	98.9	Very high	98.9	Very high	49 Å²	49	23.7 Å²	23.7	26%	0.257	13%	0.128	S	C	.	.	H	α-helix	trans	-57.4	-46.7	173.9	176.5	57.8	0	0	0	112.4	Q265 S266 R267 Q292 I296	L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.41Å; L263-S266 PolarHBondContact O-N 3.2Å; L263-R267 HydrophobicContact CD1-CG 4.46Å; L263-R267 WeakPolarHBondContact O-CG 3.17Å; L263-R267 PolarHBondContact O-N 2.89Å; L263-Q292 VanDerWaalsContact CD1-CD 3.42Å; L263-Q292 HydrophobicContact CD1-CG 3.57Å; L263-Q292 VanDerWaalsContact CD2-NE2 3.34Å; L263-I296 HydrophobicContact CD1-CD1 3.77Å
264	E	98.9	Very high	98.9	Very high	37 Å²	37	23.6 Å²	23.6	17%	0.173	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-40.9	179.2	-68.9	-59.3	148.3	0	0	111.5	S262 R267 A268 N391 S393 G394	S262-E264 VanDerWaalsContact C-N 3.34Å; S262-E264 PolarHBondContact O-N 2.92Å; S262-E264 PolarHBondContact OG-N 3.15Å; E264-R267 PolarHBondContact O-N 2.93Å; E264-A268 WeakPolarHBondContact O-CB 3.42Å; E264-A268 PolarHBondContact O-N 2.98Å; E264-N391 VanDerWaalsContact CD-ND2 3.34Å; E264-N391 HydrophobicContact CG-CB 3.97Å; E264-N391 PolarHBondContact OE1-ND2 3.36Å; E264-S393 CarbonylContact C-O 3.5Å; E264-G394 WeakPolarHBondContact OE2-CA 3.39Å
265	Q	98.9	Very high	98.9	Very high	30 Å²	30	23.6 Å²	23.6	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-71.5	-35.4	179.2	-68.5	163.9	-1.9	0	0	112.2	W222 L261 S262 L263 A268 Q269 S393	W222-Q265 HydrophobicContact CB-CG 4.44Å; W222-Q265 HydrophobicContact CD2-CB 4.06Å; W222-Q265 HydrophobicContact CD2-CG 3.55Å; W222-Q265 HydrophobicContact CE3-CB 3.59Å; W222-Q265 HydrophobicContact CE3-CG 3.64Å; W222-Q265 HydrophobicContact CG-CG 3.91Å; W222-Q265 HydrophobicContact CH2-CG 4.4Å; W222-Q265 HydrophobicContact CZ2-CG 4.31Å; W222-Q265 HydrophobicContact CZ3-CB 3.85Å; W222-Q265 HydrophobicContact CZ3-CG 4.06Å; L261-Q265 HydrophobicContact CB-CB 4.05Å; L261-Q265 HydrophobicContact CD2-CB 4.27Å; S262-Q265 PolarHBondContact O-N 2.93Å; S262-Q265 WeakPolarHBondContact OG-CG 3.36Å; S262-Q265 PolarHBondContact OG-N 3.4Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.41Å; Q265-A268 PolarHBondContact O-N 2.83Å; Q265-Q269 PolarHBondContact O-N 3.31Å; Q265-S393 PolarHBondContact NE2-OG 2.93Å
266	S	98.9	Very high	98.9	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-46.5	173.8	-62.9	0	0	0	0	110.8	I256 S262 L263 A268 Q269 M270	I256-S266 WeakPolarHBondContact CD1-O 3.44Å; S262-S266 WeakPolarHBondContact O-CB 3.2Å; S262-S266 PolarHBondContact O-N 2.88Å; S262-S266 PolarHBondContact O-OG 3.49Å; L263-S266 PolarHBondContact O-N 3.2Å; S266-A268 VanDerWaalsContact C-N 3.33Å; S266-A268 PolarHBondContact O-N 3.19Å; S266-Q269 PolarHBondContact O-N 3.07Å; S266-M270 PolarHBondContact O-N 3.04Å; S266-M270 VanDerWaalsContact O-N 3.14Å
267	R	98.9	Very high	98.9	Very high	74 Å²	74	23.9 Å²	23.9	28%	0.279	13%	0.129	S	C	.	.	H	α-helix	trans	-63	-39.4	172.8	-72.9	-179.6	175.6	163.1	-5.3	112.2	L263 E264 A271 I296 Y372 V395	L263-R267 HydrophobicContact CD1-CG 4.46Å; L263-R267 WeakPolarHBondContact O-CG 3.17Å; L263-R267 PolarHBondContact O-N 2.89Å; E264-R267 PolarHBondContact O-N 2.93Å; R267-A271 WeakPolarHBondContact O-CB 3.38Å; R267-A271 PolarHBondContact O-N 2.92Å; R267-A271 VanDerWaalsContact O-N 3.08Å; R267-I296 HydrophobicContact CG-CD1 3.74Å; R267-I296 HydrophobicContact CG-CG1 3.95Å; R267-Y372 VanDerWaalsContact C-OH 3.3Å; R267-Y372 WeakPolarHBondContact CA-OH 3.35Å; R267-Y372 HydrophobicContact CB-CE1 4.17Å; R267-Y372 HydrophobicContact CB-CE2 3.83Å; R267-Y372 HydrophobicContact CG-CD1 4.25Å; R267-Y372 HydrophobicContact CG-CE1 3.76Å; R267-Y372 HydrophobicContact CG-CE2 4.2Å; R267-Y372 PolarHBondContact O-OH 2.7Å; R267-V395 HydrophobicContact CB-CG2 4.34Å
268	A	98.9	Very high	98.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-45.9	177.3	0	0	0	0	0	111.6	W222 E264 Q265 S266 M270 A271 L272 F341 V395	W222-A268 HydrophobicContact CH2-CB 3.67Å; W222-A268 HydrophobicContact CZ3-CB 4.14Å; E264-A268 WeakPolarHBondContact O-CB 3.42Å; E264-A268 PolarHBondContact O-N 2.98Å; Q265-A268 PolarHBondContact O-N 2.83Å; S266-A268 VanDerWaalsContact C-N 3.33Å; S266-A268 PolarHBondContact O-N 3.19Å; A268-M270 PolarHBondContact O-N 2.95Å; A268-A271 PolarHBondContact O-N 3.43Å; A268-L272 HydrophobicContact CB-CD1 4.46Å; A268-L272 VanDerWaalsContact O-CB 3.28Å; A268-L272 WeakPolarHBondContact O-CB 3.41Å; A268-L272 WeakPolarHBondContact O-CD1 3.47Å; A268-L272 WeakPolarHBondContact O-CG 3.37Å; A268-L272 PolarHBondContact O-N 3.26Å; A268-F341 HydrophobicContact CB-CE2 4.31Å; A268-V395 HydrophobicContact CB-CG1 3.75Å; A268-V395 HydrophobicContact CB-CG2 4.4Å
269	Q	98.9	Very high	98.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-49.8	177.3	-165.1	-171.6	21.7	0	0	110.9	V225 M253 L254 L261 Q265 S266 A271 L272 W273	V225-Q269 HydrophobicContact CG2-CG 4.46Å; M253-Q269 PolarHBondContact O-NE2 2.84Å; L254-Q269 HydrophobicContact CD2-CG 4.22Å; L261-Q269 HydrophobicContact CD1-CB 4.2Å; Q265-Q269 PolarHBondContact O-N 3.31Å; S266-Q269 PolarHBondContact O-N 3.07Å; Q269-A271 VanDerWaalsContact C-N 3.35Å; Q269-A271 PolarHBondContact O-N 3.42Å; Q269-L272 PolarHBondContact O-N 2.83Å; Q269-W273 HydrophobicContact CB-CE3 4.32Å; Q269-W273 HydrophobicContact CB-CZ3 4.37Å; Q269-W273 HydrophobicContact CG-CD2 3.76Å; Q269-W273 HydrophobicContact CG-CE3 3.41Å; Q269-W273 VanDerWaalsContact CG-CE3 3.41Å; Q269-W273 HydrophobicContact CG-CH2 3.83Å; Q269-W273 HydrophobicContact CG-CZ2 4.13Å; Q269-W273 HydrophobicContact CG-CZ3 3.46Å; Q269-W273 VanDerWaalsContact CG-CZ3 3.46Å; Q269-W273 WeakPolarHBondContact O-CB 3.41Å; Q269-W273 PolarHBondContact O-N 3.42Å
270	M	99	Very high	98.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.3	-45.9	-179.9	-171.2	63.8	175.8	0	0	112.3	L254 I256 S266 A268 T274 L280 I296 L297 M302	L254-M270 HydrophobicContact CD1-SD 4.14Å; I256-M270 HydrophobicContact CD1-CB 3.72Å; I256-M270 HydrophobicContact CD1-CG 4.44Å; I256-M270 HydrophobicContact CD1-SD 4.25Å; S266-M270 PolarHBondContact O-N 3.04Å; S266-M270 VanDerWaalsContact O-N 3.14Å; A268-M270 PolarHBondContact O-N 2.95Å; M270-T274 WeakPolarHBondContact O-CB 3.14Å; M270-T274 PolarHBondContact O-N 3.38Å; M270-T274 PolarHBondContact O-OG1 3.02Å; M270-L280 HydrophobicContact CE-CD1 3.84Å; M270-L280 HydrophobicContact CE-CD2 4.46Å; M270-L280 HydrophobicContact SD-CD2 4.24Å; M270-I296 HydrophobicContact CB-CG2 3.7Å; M270-I296 HydrophobicContact CG-CG2 3.95Å; M270-L297 HydrophobicContact SD-CD2 4.18Å; M270-M302 HydrophobicContact CE-CB 4.45Å; M270-M302 HydrophobicContact CE-CG 3.64Å; M270-M302 HydrophobicContact CG-CE 4.08Å; M270-M302 HydrophobicContact CG-CG 3.69Å; M270-M302 HydrophobicContact CG-SD 4.17Å; M270-M302 HydrophobicContact SD-CG 4.43Å
271	A	99	Very high	98.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66	-41.9	180	0	0	0	0	0	112.3	R267 A268 Q269 T274 V275 M302 V339 V395 M397	R267-A271 WeakPolarHBondContact O-CB 3.38Å; R267-A271 PolarHBondContact O-N 2.92Å; R267-A271 VanDerWaalsContact O-N 3.08Å; A268-A271 PolarHBondContact O-N 3.43Å; Q269-A271 VanDerWaalsContact C-N 3.35Å; Q269-A271 PolarHBondContact O-N 3.42Å; A271-T274 PolarHBondContact O-N 3.37Å; A271-V275 PolarHBondContact O-N 3.3Å; A271-M302 HydrophobicContact CB-CE 4.1Å; A271-V339 HydrophobicContact CB-CG1 4.18Å; A271-V339 HydrophobicContact CB-CG2 4.21Å; A271-V395 HydrophobicContact CB-CG2 3.92Å; A271-M397 HydrophobicContact CB-CB 4.45Å; A271-M397 HydrophobicContact CB-SD 3.63Å
272	L	98.9	Very high	98.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-73.2	-39.2	-178.3	-69.9	165.7	0	0	0	112.1	L229 A268 Q269 T274 V275 L276 Y327 V339 F341	L229-L272 HydrophobicContact CD1-CB 4.41Å; L229-L272 HydrophobicContact CD1-CD1 4.35Å; L229-L272 HydrophobicContact CD1-CD2 4.2Å; L229-L272 HydrophobicContact CD2-CD1 3.74Å; L229-L272 HydrophobicContact CD2-CD2 4.45Å; A268-L272 HydrophobicContact CB-CD1 4.46Å; A268-L272 VanDerWaalsContact O-CB 3.28Å; A268-L272 WeakPolarHBondContact O-CB 3.41Å; A268-L272 WeakPolarHBondContact O-CD1 3.47Å; A268-L272 WeakPolarHBondContact O-CG 3.37Å; A268-L272 PolarHBondContact O-N 3.26Å; Q269-L272 PolarHBondContact O-N 2.83Å; L272-T274 VanDerWaalsContact C-N 3.28Å; L272-T274 PolarHBondContact O-N 3.15Å; L272-V275 WeakPolarHBondContact O-CG1 3.36Å; L272-V275 PolarHBondContact O-N 2.88Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 WeakPolarHBondContact O-CG 3.44Å; L272-L276 PolarHBondContact O-N 3.06Å; L272-Y327 HydrophobicContact CD2-CD1 4.28Å; L272-Y327 HydrophobicContact CD2-CD2 3.88Å; L272-Y327 HydrophobicContact CD2-CE1 4.22Å; L272-Y327 HydrophobicContact CD2-CE2 3.87Å; L272-Y327 HydrophobicContact CD2-CG 4.13Å; L272-V339 HydrophobicContact CD2-CG1 4.25Å; L272-F341 HydrophobicContact CD1-CD1 4.41Å; L272-F341 HydrophobicContact CD1-CD2 4.41Å; L272-F341 HydrophobicContact CD1-CE1 4.41Å; L272-F341 HydrophobicContact CD1-CE2 4.44Å; L272-F341 HydrophobicContact CD1-CG 4.41Å; L272-F341 HydrophobicContact CD1-CZ 4.44Å
273	W	98.9	Very high	98.9	Very high	1 Å²	1	10 Å²	10	0%	0.004	5%	0.046	C	C	.	.	H	α-helix	trans	-64.7	-39.4	172.9	-89.8	-121.6	0	0	0	110.4	I218 V225 P251 D252 L254 Q269 L276 A277 A278 L280	I218-W273 HydrophobicContact CD1-CH2 4.28Å; I218-W273 HydrophobicContact CD1-CZ2 3.82Å; V225-W273 HydrophobicContact CB-CH2 4.4Å; V225-W273 HydrophobicContact CG1-CH2 3.79Å; V225-W273 HydrophobicContact CG1-CZ3 3.74Å; V225-W273 HydrophobicContact CG2-CH2 4.4Å; P251-W273 HydrophobicContact CB-CZ2 4.35Å; P251-W273 HydrophobicContact CG-CG 4.41Å; D252-W273 PolarHBondContact O-NE1 3.5Å; L254-W273 HydrophobicContact CD2-CB 4.04Å; L254-W273 HydrophobicContact CD2-CD2 4.34Å; L254-W273 HydrophobicContact CD2-CG 3.76Å; Q269-W273 HydrophobicContact CB-CE3 4.32Å; Q269-W273 HydrophobicContact CB-CZ3 4.37Å; Q269-W273 HydrophobicContact CG-CD2 3.76Å; Q269-W273 HydrophobicContact CG-CE3 3.41Å; Q269-W273 VanDerWaalsContact CG-CE3 3.41Å; Q269-W273 HydrophobicContact CG-CH2 3.83Å; Q269-W273 HydrophobicContact CG-CZ2 4.13Å; Q269-W273 HydrophobicContact CG-CZ3 3.46Å; Q269-W273 VanDerWaalsContact CG-CZ3 3.46Å; Q269-W273 WeakPolarHBondContact O-CB 3.41Å; Q269-W273 PolarHBondContact O-N 3.42Å; W273-L276 CarbonylContact O-C 3.55Å; W273-L276 PolarHBondContact O-N 3.3Å; W273-A277 PolarHBondContact O-N 3.19Å; W273-A278 HydrophobicContact CB-CB 3.95Å; W273-A278 HydrophobicContact CG-CB 4.01Å; W273-A278 VanDerWaalsContact O-CB 3.31Å; W273-A278 WeakPolarHBondContact O-CB 3.28Å; W273-A278 PolarHBondContact O-N 2.86Å; W273-L280 HydrophobicContact CB-CD2 4.31Å
274	T	99	Very high	98.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.6	-46.9	175.6	-67.4	0	0	0	0	112.8	M270 A271 L272 L276 A277 M302 I305 N306 R329 M397	M270-T274 WeakPolarHBondContact O-CB 3.14Å; M270-T274 PolarHBondContact O-N 3.38Å; M270-T274 PolarHBondContact O-OG1 3.02Å; A271-T274 PolarHBondContact O-N 3.37Å; L272-T274 VanDerWaalsContact C-N 3.28Å; L272-T274 PolarHBondContact O-N 3.15Å; T274-L276 PolarHBondContact O-N 3.05Å; T274-A277 PolarHBondContact O-N 3.07Å; T274-A277 VanDerWaalsContact O-N 3.15Å; T274-M302 VanDerWaalsContact CB-SD 3.6Å; T274-M302 HydrophobicContact CG2-CG 4.32Å; T274-M302 HydrophobicContact CG2-SD 3.68Å; T274-M302 PolarHBondContact OG1-SD 2.77Å; T274-M302 VanDerWaalsContact OG1-SD 3.36Å; T274-I305 HydrophobicContact CG2-CB 3.83Å; T274-I305 HydrophobicContact CG2-CG2 3.49Å; T274-I305 VanDerWaalsContact CG2-CG2 3.49Å; T274-N306 HydrophobicContact CG2-CB 3.93Å; T274-R329 PolarHBondContact O-NH1 3.11Å; T274-M397 HydrophobicContact CG2-CE 3.89Å
275	V	98.9	Very high	98.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67.9	-25.7	178.1	83.3	0	0	0	0	111.7	A271 L272 A277 G314 Y327 R329 V339	A271-V275 PolarHBondContact O-N 3.3Å; L272-V275 WeakPolarHBondContact O-CG1 3.36Å; L272-V275 PolarHBondContact O-N 2.88Å; V275-A277 VanDerWaalsContact C-N 3.29Å; V275-A277 PolarHBondContact O-N 3.13Å; V275-G314 WeakPolarHBondContact O-CA 3.22Å; V275-G314 PolarHBondContact O-N 2.96Å; V275-Y327 HydrophobicContact CG1-CD1 4.16Å; V275-Y327 HydrophobicContact CG1-CG 4.26Å; V275-R329 HydrophobicContact CB-CB 4.46Å; V275-R329 HydrophobicContact CG2-CB 3.54Å; V275-R329 WeakPolarHBondContact O-CD 2.99Å; V275-V339 HydrophobicContact CB-CG2 3.99Å; V275-V339 HydrophobicContact CG1-CG2 4.28Å; V275-V339 HydrophobicContact CG2-CG2 4.26Å
276	L	98.9	Very high	98.9	Very high	8 Å²	8	5.2 Å²	5.2	4%	0.042	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2.6	175.3	-68	173.5	0	0	0	114.2	L229 L272 W273 T274 A278 Q313	L229-L276 HydrophobicContact CD1-CD1 4.17Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 WeakPolarHBondContact O-CG 3.44Å; L272-L276 PolarHBondContact O-N 3.06Å; W273-L276 CarbonylContact O-C 3.55Å; W273-L276 PolarHBondContact O-N 3.3Å; T274-L276 PolarHBondContact O-N 3.05Å; L276-A278 PolarHBondContact O-N 3.24Å; L276-Q313 VanDerWaalsContact O-CD 3.29Å; L276-Q313 WeakPolarHBondContact O-CG 3.27Å; L276-Q313 PolarHBondContact O-OE1 2.91Å
277	A	98.9	Very high	98.9	Very high	0 Å²	0	8 Å²	8	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	34.3	-172.9	0	0	0	0	0	113	P26 W248 W273 T274 V275 Q313 R329	P26-A277 HydrophobicContact CG-CB 4.44Å; P26-A277 VanDerWaalsContact CG-O 3.29Å; P26-A277 WeakPolarHBondContact CG-O 3.26Å; W248-A277 HydrophobicContact CE3-CB 4.22Å; W248-A277 HydrophobicContact CZ3-CB 3.99Å; W273-A277 PolarHBondContact O-N 3.19Å; T274-A277 PolarHBondContact O-N 3.07Å; T274-A277 VanDerWaalsContact O-N 3.15Å; V275-A277 VanDerWaalsContact C-N 3.29Å; V275-A277 PolarHBondContact O-N 3.13Å; A277-Q313 HydrophobicContact CB-CB 4.11Å; A277-R329 VanDerWaalsContact CB-CZ 3.47Å
278	A	98.9	Very high	98.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.			trans	-73.9	155.7	-179.2	0	0	0	0	0	111.5	P26 P251 W273 L276 N306	P26-A278 WeakPolarHBondContact CB-O 3.4Å; P251-A278 HydrophobicContact CG-CB 3.48Å; P251-A278 VanDerWaalsContact CG-CB 3.48Å; W273-A278 HydrophobicContact CB-CB 3.95Å; W273-A278 HydrophobicContact CG-CB 4.01Å; W273-A278 VanDerWaalsContact O-CB 3.31Å; W273-A278 WeakPolarHBondContact O-CB 3.28Å; W273-A278 PolarHBondContact O-N 2.86Å; L276-A278 PolarHBondContact O-N 3.24Å; A278-N306 PolarHBondContact O-ND2 2.83Å
279	P	98.9	Very high	98.9	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	6%	0.056	C	C	.	.			trans	-47.7	138.8	158.1	-27.9	36.9	0	0	0	111.9	P27 L211 N249 D250 L281	P27-P279 HydrophobicContact CG-CB 3.96Å; P27-P279 HydrophobicContact CG-CG 4.07Å; P27-P279 CarbonylContact O-C 3.55Å; P27-P279 WeakPolarHBondContact O-CA 3.28Å; L211-P279 HydrophobicContact CD1-CB 4.48Å; L211-P279 HydrophobicContact CD1-CG 3.71Å; N249-P279 WeakPolarHBondContact O-CD 3.37Å; D250-P279 HydrophobicContact CB-CG 4.17Å; P279-L281 HydrophobicContact CB-CD1 4.11Å; P279-L281 HydrophobicContact CB-CG 3.96Å
280	L	98.9	Very high	98.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	67	168.9	-55.7	-178.9	0	0	0	108.9	P27 M28 G29 Y72 L254 M270 W273 N306	P27-L280 PolarHBondContact O-N 3.33Å; M28-L280 HydrophobicContact CE-CD1 4.18Å; M28-L280 HydrophobicContact CG-CB 4.08Å; M28-L280 HydrophobicContact CG-CD1 4.32Å; M28-L280 HydrophobicContact CG-CG 4.46Å; M28-L280 HydrophobicContact SD-CD1 4.4Å; G29-L280 PolarHBondContact N-O 3.21Å; Y72-L280 HydrophobicContact CE1-CB 4.03Å; Y72-L280 WeakPolarHBondContact CE1-O 3.3Å; L254-L280 HydrophobicContact CD1-CB 4.04Å; L254-L280 HydrophobicContact CD1-CD2 4.09Å; M270-L280 HydrophobicContact CE-CD1 3.84Å; M270-L280 HydrophobicContact CE-CD2 4.46Å; M270-L280 HydrophobicContact SD-CD2 4.24Å; W273-L280 HydrophobicContact CB-CD2 4.31Å; L280-N306 HydrophobicContact CD1-CB 3.78Å; L280-N306 VanDerWaalsContact CD1-CG 3.47Å; L280-N306 HydrophobicContact CG-CB 4.39Å
281	L	98.9	Very high	98.9	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.026	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	103.5	176	-64.3	175.8	0	0	0	109.1	L31 M253 L254 P279	L31-L281 HydrophobicContact CD1-CD1 4.29Å; M253-L281 WeakPolarHBondContact CA-O 3.48Å; L254-L281 PolarHBondContact N-O 3.13Å; P279-L281 HydrophobicContact CB-CD1 4.11Å; P279-L281 HydrophobicContact CB-CG 3.96Å
282	M	98.9	Very high	98.9	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	146.1	173.9	-59	-179.7	-64.2	0	0	110.1	G29 W30 L31 W67 Y72 L254 L286 L297	G29-M282 PolarHBondContact O-N 2.79Å; W30-M282 CarbonylContact C-O 3.45Å; W30-M282 WeakPolarHBondContact CA-O 3.39Å; W30-M282 HydrophobicContact CB-CE 4.45Å; L31-M282 PolarHBondContact N-O 3.08Å; W67-M282 HydrophobicContact CD2-CE 4.11Å; W67-M282 HydrophobicContact CE3-CE 3.73Å; W67-M282 HydrophobicContact CE3-SD 3.76Å; W67-M282 HydrophobicContact CH2-SD 4.1Å; W67-M282 HydrophobicContact CZ3-CE 4.14Å; W67-M282 HydrophobicContact CZ3-SD 3.52Å; W67-M282 VanDerWaalsContact CZ3-SD 3.52Å; Y72-M282 HydrophobicContact CD1-CE 3.54Å; Y72-M282 HydrophobicContact CD1-CG 4.2Å; Y72-M282 HydrophobicContact CD1-SD 4.04Å; Y72-M282 HydrophobicContact CE1-CE 3.96Å; Y72-M282 HydrophobicContact CE1-CG 3.77Å; Y72-M282 HydrophobicContact CE1-SD 3.8Å; Y72-M282 HydrophobicContact CG-CE 3.85Å; L254-M282 HydrophobicContact CD1-CG 4.48Å; M282-L286 HydrophobicContact CE-CD2 4.19Å; M282-L286 HydrophobicContact SD-CD2 4.41Å; M282-L297 HydrophobicContact CG-CD1 4.39Å; M282-L297 HydrophobicContact CG-CD2 4.07Å; M282-L297 HydrophobicContact SD-CB 4.39Å; M282-L297 HydrophobicContact SD-CD1 3.83Å; M282-L297 HydrophobicContact SD-CD2 4.24Å; M282-L297 HydrophobicContact SD-CG 4.38Å
283	S	98.9	Very high	98.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.			trans	-137.1	85	163.3	169.5	0	0	0	0	108.5	L31 E34 R35 L254 N258	L31-S283 WeakPolarHBondContact O-CA 3.49Å; L31-S283 WeakPolarHBondContact O-CB 3.47Å; L31-S283 PolarHBondContact O-OG 2.92Å; L31-S283 VanDerWaalsContact O-OG 3.13Å; E34-S283 WeakPolarHBondContact CA-OG 3.47Å; E34-S283 WeakPolarHBondContact CB-OG 3.11Å; E34-S283 PolarHBondContact N-OG 3.1Å; R35-S283 WeakPolarHBondContact CB-O 3.39Å; R35-S283 PolarHBondContact N-OG 3.25Å; L254-S283 PolarHBondContact O-N 2.72Å; N258-S283 PolarHBondContact ND2-O 3.21Å; N258-S283 PolarHBondContact OD1-O 3.06Å
284	T	98.9	Very high	98.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	14%	0.139	C	C	.	.	S	Bend	trans	-149.2	168.1	-177.6	-166.6	0	0	0	0	111.4	W30 G257 N258 L286 I289	W30-T284 PolarHBondContact NE1-O 3.26Å; G257-T284 WeakPolarHBondContact CA-OG1 3.16Å; G257-T284 PolarHBondContact O-OG1 3.46Å; N258-T284 VanDerWaalsContact OD1-CA 3.3Å; N258-T284 WeakPolarHBondContact OD1-CA 3.32Å; N258-T284 WeakPolarHBondContact OD1-CB 3.28Å; N258-T284 PolarHBondContact OD1-OG1 3.11Å; T284-L286 HydrophobicContact CG2-CD2 3.84Å; T284-L286 PolarHBondContact O-N 3.04Å; T284-I289 HydrophobicContact CG2-CD1 3.97Å
285	D	98.9	Very high	98.9	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.053	17%	0.168	C	C	.	.			trans	-83.7	98.3	176.1	-168	-20.6	0	0	0	110.7	F36 M58 R287 T288 I289	F36-D285 HydrophobicContact CZ-CB 3.89Å; M58-D285 WeakPolarHBondContact CE-OD1 3.39Å; D285-R287 PolarHBondContact O-N 3.31Å; D285-R287 VanDerWaalsContact O-N 3.14Å; D285-R287 VanDerWaalsContact OD1-CB 3.22Å; D285-R287 WeakPolarHBondContact OD1-CB 3.37Å; D285-R287 WeakPolarHBondContact OD1-CG 3.36Å; D285-R287 IonicContact OD1-CZ 2.65Å; D285-R287 PolarHBondContact OD1-N 3.15Å; D285-R287 IonicContact OD1-NE 2.74Å; D285-R287 PolarHBondContact OD1-NE 2.8Å; D285-R287 IonicContact OD1-NH2 3.15Å; D285-R287 IonicContact OD2-CZ 3.54Å; D285-R287 IonicContact OD2-NE 3.46Å; D285-R287 PolarHBondContact OD2-NE 3.04Å; D285-R287 IonicContact OD2-NH2 3.01Å; D285-R287 PolarHBondContact OD2-NH2 2.68Å; D285-T288 PolarHBondContact O-N 2.76Å; D285-I289 PolarHBondContact O-N 3.25Å; D285-I289 VanDerWaalsContact O-N 3.11Å
286	L	98.9	Very high	98.9	Very high	3 Å²	3	30 Å²	30	2%	0.016	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.1	-178.7	-58	-178.3	0	0	0	113.1	W30 M58 R61 M62 W67 M282 T284 T288	W30-L286 HydrophobicContact CG-CD1 4.42Å; M58-L286 HydrophobicContact SD-CB 3.82Å; M58-L286 HydrophobicContact SD-CD1 4.35Å; M58-L286 HydrophobicContact SD-CG 4Å; R61-L286 HydrophobicContact CB-CB 3.79Å; R61-L286 HydrophobicContact CB-CD1 4.4Å; R61-L286 HydrophobicContact CG-CB 4.15Å; M62-L286 HydrophobicContact CG-CD1 3.58Å; M62-L286 HydrophobicContact SD-CD1 4.46Å; W67-L286 HydrophobicContact CZ2-CD2 3.96Å; M282-L286 HydrophobicContact CE-CD2 4.19Å; M282-L286 HydrophobicContact SD-CD2 4.41Å; T284-L286 HydrophobicContact CG2-CD2 3.84Å; T284-L286 PolarHBondContact O-N 3.04Å; L286-T288 VanDerWaalsContact C-N 3.29Å
287	R	98.9	Very high	98.9	Very high	61 Å²	61	29.6 Å²	29.6	23%	0.23	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.3	179	-51.7	167.5	-62.9	-171.9	-1.1	112.1	K47 N48 E57 M58 R61 D285	K47-R287 PolarHBondContact O-NH1 3.03Å; K47-R287 PolarHBondContact O-NH2 3.35Å; K47-R287 VanDerWaalsContact O-NH2 3.15Å; N48-R287 PolarHBondContact OD1-NH2 3.24Å; E57-R287 WeakPolarHBondContact OE2-CD 3.44Å; E57-R287 IonicContact OE2-CZ 2.71Å; E57-R287 IonicContact OE2-NE 3.88Å; E57-R287 IonicContact OE2-NH1 3.42Å; E57-R287 PolarHBondContact OE2-NH1 2.83Å; M58-R287 HydrophobicContact CE-CG 4.19Å; R61-R287 HydrophobicContact CG-CG 4.05Å; D285-R287 PolarHBondContact O-N 3.31Å; D285-R287 VanDerWaalsContact O-N 3.14Å; D285-R287 VanDerWaalsContact OD1-CB 3.22Å; D285-R287 WeakPolarHBondContact OD1-CB 3.37Å; D285-R287 WeakPolarHBondContact OD1-CG 3.36Å; D285-R287 IonicContact OD1-CZ 2.65Å; D285-R287 PolarHBondContact OD1-N 3.15Å; D285-R287 IonicContact OD1-NE 2.74Å; D285-R287 PolarHBondContact OD1-NE 2.8Å; D285-R287 IonicContact OD1-NH2 3.15Å; D285-R287 IonicContact OD2-CZ 3.54Å; D285-R287 IonicContact OD2-NE 3.46Å; D285-R287 PolarHBondContact OD2-NE 3.04Å; D285-R287 IonicContact OD2-NH2 3.01Å; D285-R287 PolarHBondContact OD2-NH2 2.68Å
288	T	98.8	Very high	98.9	Very high	107 Å²	107	31.4 Å²	31.4	66%	0.656	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.3	8.5	-173.4	60.4	0	0	0	0	113.5	D285 L286	D285-T288 PolarHBondContact O-N 2.76Å; L286-T288 VanDerWaalsContact C-N 3.29Å
289	I	98.8	Very high	98.9	Very high	24 Å²	24	32.4 Å²	32.4	12%	0.123	18%	0.181	C	C	.	.			trans	-60.7	138.6	179.8	-166.4	173.5	0	0	0	110.7	W67 T284 D285 N293 M294 L297	W67-I289 HydrophobicContact CH2-CD1 3.95Å; W67-I289 HydrophobicContact CZ2-CD1 4.09Å; W67-I289 HydrophobicContact CZ2-CG2 4.15Å; T284-I289 HydrophobicContact CG2-CD1 3.97Å; D285-I289 PolarHBondContact O-N 3.25Å; D285-I289 VanDerWaalsContact O-N 3.11Å; I289-N293 HydrophobicContact CD1-CB 4.13Å; I289-N293 HydrophobicContact CG1-CB 3.88Å; I289-M294 HydrophobicContact CG2-CE 3.82Å; I289-L297 HydrophobicContact CD1-CD1 3.8Å
290	S	98.8	Very high	98.9	Very high	54 Å²	54	36.7 Å²	36.7	38%	0.378	21%	0.209	S	C	.	.			trans	-73.2	150.8	177.9	69.2	0	0	0	0	111.2	Q292 N293 M294	S290-Q292 PolarHBondContact O-N 2.94Å; S290-N293 PolarHBondContact O-N 2.77Å; S290-N293 VanDerWaalsContact O-N 3.09Å; S290-N293 PolarHBondContact OG-N 3.13Å; S290-N293 PolarHBondContact OG-ND2 2.88Å; S290-M294 PolarHBondContact O-N 3.44Å
291	A	98.8	Very high	98.9	Very high	70 Å²	70	37.7 Å²	37.7	58%	0.579	21%	0.214	S	C	*	.	H	α-helix	trans	-54.3	-40.6	173.6	0	0	0	0	0	111.8	N293 M294 D295	A291-N293 VanDerWaalsContact C-N 3.33Å; A291-N293 PolarHBondContact O-N 3.22Å; A291-M294 WeakPolarHBondContact O-CB 3.4Å; A291-M294 PolarHBondContact O-N 3.38Å; A291-D295 PolarHBondContact O-N 3.4Å
292	Q	98.7	Very high	98.9	Very high	99 Å²	99	37.5 Å²	37.5	46%	0.463	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-39.1	178.1	-179.7	172.3	80.2	0	0	113.4	L263 S290 I296	L263-Q292 VanDerWaalsContact CD1-CD 3.42Å; L263-Q292 HydrophobicContact CD1-CG 3.57Å; L263-Q292 VanDerWaalsContact CD2-NE2 3.34Å; S290-Q292 PolarHBondContact O-N 2.94Å; Q292-I296 WeakPolarHBondContact O-CG1 3.33Å; Q292-I296 PolarHBondContact O-N 3.01Å
293	N	98.9	Very high	98.9	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.123	22%	0.216	C	C	.	.	H	α-helix	trans	-77.8	-33.8	176.9	-74.8	-34.4	0	0	0	111.7	I256 G257 I289 S290 A291 I296 L297	I256-N293 HydrophobicContact CG2-CB 3.97Å; G257-N293 WeakPolarHBondContact CA-ND2 3.23Å; I289-N293 HydrophobicContact CD1-CB 4.13Å; I289-N293 HydrophobicContact CG1-CB 3.88Å; S290-N293 PolarHBondContact O-N 2.77Å; S290-N293 VanDerWaalsContact O-N 3.09Å; S290-N293 PolarHBondContact OG-N 3.13Å; S290-N293 PolarHBondContact OG-ND2 2.88Å; A291-N293 VanDerWaalsContact C-N 3.33Å; A291-N293 PolarHBondContact O-N 3.22Å; N293-I296 PolarHBondContact O-N 2.75Å; N293-L297 WeakPolarHBondContact O-CG 3.38Å; N293-L297 PolarHBondContact O-N 3.37Å; N293-L297 VanDerWaalsContact O-N 3.15Å
294	M	98.8	Very high	98.9	Very high	43 Å²	43	44.2 Å²	44.2	21%	0.212	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-44.7	171.8	-173.8	178	-79.4	0	0	111.3	D65 W67 I289 S290 A291 I296 L297 Q298	D65-M294 HydrophobicContact CB-CE 4.19Å; W67-M294 HydrophobicContact CH2-CB 4.22Å; W67-M294 HydrophobicContact CH2-CG 3.85Å; W67-M294 HydrophobicContact CZ2-CB 4.36Å; W67-M294 HydrophobicContact CZ2-CE 3.62Å; W67-M294 HydrophobicContact CZ2-CG 3.82Å; W67-M294 HydrophobicContact CZ2-SD 4.48Å; I289-M294 HydrophobicContact CG2-CE 3.82Å; S290-M294 PolarHBondContact O-N 3.44Å; A291-M294 WeakPolarHBondContact O-CB 3.4Å; A291-M294 PolarHBondContact O-N 3.38Å; M294-I296 VanDerWaalsContact C-N 3.26Å; M294-I296 PolarHBondContact O-N 3.45Å; M294-L297 PolarHBondContact O-N 2.82Å; M294-Q298 HydrophobicContact CG-CG 4.11Å; M294-Q298 WeakPolarHBondContact O-CB 3.22Å; M294-Q298 WeakPolarHBondContact O-CG 3.49Å; M294-Q298 PolarHBondContact O-N 2.89Å
295	D	98.8	Very high	98.9	Very high	113 Å²	113	44.2 Å²	44.2	60%	0.604	24%	0.243	S	C	*	.	H	α-helix	trans	-60.8	-33.4	177.7	-67.8	-21.1	0	0	0	112.7	A291 N299	A291-D295 PolarHBondContact O-N 3.4Å; D295-N299 PolarHBondContact O-N 2.98Å
296	I	98.9	Very high	98.9	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-68.5	-51	175.7	-66.1	166.5	0	0	0	110.1	I256 L263 R267 M270 Q292 N293 M294 N299 Y372	I256-I296 HydrophobicContact CD1-CG2 4.08Å; I256-I296 HydrophobicContact CG2-CB 4.44Å; I256-I296 HydrophobicContact CG2-CG2 4.35Å; L263-I296 HydrophobicContact CD1-CD1 3.77Å; R267-I296 HydrophobicContact CG-CD1 3.74Å; R267-I296 HydrophobicContact CG-CG1 3.95Å; M270-I296 HydrophobicContact CB-CG2 3.7Å; M270-I296 HydrophobicContact CG-CG2 3.95Å; Q292-I296 WeakPolarHBondContact O-CG1 3.33Å; Q292-I296 PolarHBondContact O-N 3.01Å; N293-I296 PolarHBondContact O-N 2.75Å; M294-I296 VanDerWaalsContact C-N 3.26Å; M294-I296 PolarHBondContact O-N 3.45Å; I296-N299 PolarHBondContact O-N 3.34Å; I296-Y372 HydrophobicContact CG2-CE1 4.44Å
297	L	98.9	Very high	98.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-71.7	-34.1	-174.7	-69.2	162.4	0	0	0	111.7	W67 Y72 L254 I256 M270 M282 I289 N293 M294 I303	W67-L297 HydrophobicContact CH2-CB 4Å; W67-L297 HydrophobicContact CH2-CD1 3.99Å; W67-L297 HydrophobicContact CZ3-CB 3.6Å; W67-L297 HydrophobicContact CZ3-CD1 4.19Å; Y72-L297 PolarHBondContact OH-O 2.71Å; L254-L297 HydrophobicContact CD1-CD2 3.72Å; I256-L297 HydrophobicContact CB-CD1 4.15Å; I256-L297 HydrophobicContact CB-CD2 4.05Å; I256-L297 HydrophobicContact CB-CG 4.14Å; I256-L297 HydrophobicContact CD1-CD2 3.73Å; I256-L297 HydrophobicContact CD1-CG 4.37Å; I256-L297 HydrophobicContact CG2-CD1 3.84Å; I256-L297 HydrophobicContact CG2-CD2 4.26Å; I256-L297 HydrophobicContact CG2-CG 3.81Å; M270-L297 HydrophobicContact SD-CD2 4.18Å; M282-L297 HydrophobicContact CG-CD1 4.39Å; M282-L297 HydrophobicContact CG-CD2 4.07Å; M282-L297 HydrophobicContact SD-CB 4.39Å; M282-L297 HydrophobicContact SD-CD1 3.83Å; M282-L297 HydrophobicContact SD-CD2 4.24Å; M282-L297 HydrophobicContact SD-CG 4.38Å; I289-L297 HydrophobicContact CD1-CD1 3.8Å; N293-L297 WeakPolarHBondContact O-CG 3.38Å; N293-L297 PolarHBondContact O-N 3.37Å; N293-L297 VanDerWaalsContact O-N 3.15Å; M294-L297 PolarHBondContact O-N 2.82Å; L297-I303 WeakPolarHBondContact O-CD1 3.43Å
298	Q	98.9	Very high	98.9	Very high	37 Å²	37	43.6 Å²	43.6	17%	0.173	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	15.6	179.3	-60.3	-169.7	8.6	0	0	113.5	D65 W67 M70 M294 P300	D65-Q298 PolarHBondContact O-NE2 3.15Å; W67-Q298 HydrophobicContact CD2-CG 4.47Å; W67-Q298 HydrophobicContact CE3-CG 3.72Å; W67-Q298 VanDerWaalsContact CE3-NE2 3.34Å; W67-Q298 HydrophobicContact CH2-CG 4.08Å; W67-Q298 HydrophobicContact CZ3-CG 3.48Å; W67-Q298 VanDerWaalsContact CZ3-CG 3.48Å; M70-Q298 WeakPolarHBondContact CE-O 3.2Å; M70-Q298 HydrophobicContact CG-CB 4.27Å; M70-Q298 HydrophobicContact CG-CG 4.41Å; M294-Q298 HydrophobicContact CG-CG 4.11Å; M294-Q298 WeakPolarHBondContact O-CB 3.22Å; M294-Q298 WeakPolarHBondContact O-CG 3.49Å; M294-Q298 PolarHBondContact O-N 2.89Å; Q298-P300 WeakPolarHBondContact O-CD 3.45Å; Q298-P300 VanDerWaalsContact O-N 3.12Å
299	N	98.9	Very high	98.8	Very high	22 Å²	22	42.8 Å²	42.8	12%	0.118	24%	0.239	C	C	.	.			trans	-63.2	115.1	177.6	-177.3	-58.8	0	0	0	110.6	D295 I296 L301 M302 I303 V371	D295-N299 PolarHBondContact O-N 2.98Å; I296-N299 PolarHBondContact O-N 3.34Å; N299-L301 VanDerWaalsContact C-N 3.35Å; N299-L301 PolarHBondContact O-N 3.03Å; N299-L301 PolarHBondContact OD1-N 3.25Å; N299-L301 VanDerWaalsContact OD1-N 3.12Å; N299-M302 HydrophobicContact CB-CB 3.75Å; N299-M302 WeakPolarHBondContact O-CB 3.39Å; N299-M302 PolarHBondContact O-N 2.99Å; N299-M302 PolarHBondContact OD1-N 2.83Å; N299-I303 WeakPolarHBondContact O-CG1 3.43Å; N299-I303 PolarHBondContact O-N 2.9Å; N299-V371 PolarHBondContact ND2-O 3.02Å
300	P	98.9	Very high	98.8	Very high	90 Å²	90	45.8 Å²	45.8	58%	0.584	26%	0.255	S	S	*	.	H	α-helix	trans	-65	-36.1	-171.3	-20.4	30.6	0	0	0	113.7	M70 Q298 K304	M70-P300 HydrophobicContact CE-CB 3.97Å; M70-P300 HydrophobicContact CE-CG 3.93Å; Q298-P300 WeakPolarHBondContact O-CD 3.45Å; Q298-P300 VanDerWaalsContact O-N 3.12Å; P300-K304 WeakPolarHBondContact O-CB 3.38Å; P300-K304 PolarHBondContact O-N 2.78Å
301	L	98.9	Very high	98.8	Very high	22 Å²	22	43.3 Å²	43.3	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-73.6	-39	179.9	-178.9	57	0	0	0	111.1	N299 K304 I305 Q369 V371 Y399	N299-L301 VanDerWaalsContact C-N 3.35Å; N299-L301 PolarHBondContact O-N 3.03Å; N299-L301 PolarHBondContact OD1-N 3.25Å; N299-L301 VanDerWaalsContact OD1-N 3.12Å; L301-K304 HydrophobicContact CD1-CD 4.38Å; L301-K304 PolarHBondContact O-N 2.73Å; L301-I305 HydrophobicContact CD1-CD1 4.37Å; L301-I305 HydrophobicContact CD1-CG1 4.45Å; L301-I305 HydrophobicContact CG-CD1 4.18Å; L301-I305 WeakPolarHBondContact O-CD1 3.42Å; L301-I305 VanDerWaalsContact O-CG1 3.23Å; L301-I305 WeakPolarHBondContact O-CG1 3.35Å; L301-I305 PolarHBondContact O-N 3.01Å; L301-Q369 HydrophobicContact CD2-CB 4.22Å; L301-Q369 HydrophobicContact CD2-CG 3.87Å; L301-V371 HydrophobicContact CB-CG1 4.33Å; L301-V371 HydrophobicContact CD2-CB 4.48Å; L301-V371 HydrophobicContact CD2-CG2 3.98Å; L301-V371 HydrophobicContact CG-CG1 4.35Å; L301-V371 HydrophobicContact CG-CG2 4.2Å; L301-Y399 HydrophobicContact CD1-CD1 4.09Å; L301-Y399 HydrophobicContact CD1-CG 4.01Å
302	M	98.9	Very high	98.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.7	-49	172.4	-172.6	71	73.8	0	0	111.2	M270 A271 T274 N299 I305 N306 V371 Y372 M397	M270-M302 HydrophobicContact CE-CB 4.45Å; M270-M302 HydrophobicContact CE-CG 3.64Å; M270-M302 HydrophobicContact CG-CE 4.08Å; M270-M302 HydrophobicContact CG-CG 3.69Å; M270-M302 HydrophobicContact CG-SD 4.17Å; M270-M302 HydrophobicContact SD-CG 4.43Å; A271-M302 HydrophobicContact CB-CE 4.1Å; T274-M302 VanDerWaalsContact CB-SD 3.6Å; T274-M302 HydrophobicContact CG2-CG 4.32Å; T274-M302 HydrophobicContact CG2-SD 3.68Å; T274-M302 PolarHBondContact OG1-SD 2.77Å; T274-M302 VanDerWaalsContact OG1-SD 3.36Å; N299-M302 HydrophobicContact CB-CB 3.75Å; N299-M302 WeakPolarHBondContact O-CB 3.39Å; N299-M302 PolarHBondContact O-N 2.99Å; N299-M302 PolarHBondContact OD1-N 2.83Å; M302-I305 PolarHBondContact O-N 2.82Å; M302-N306 PolarHBondContact O-N 3.46Å; M302-V371 HydrophobicContact CB-CG1 3.98Å; M302-V371 HydrophobicContact CE-CG1 3.82Å; M302-V371 HydrophobicContact SD-CG1 4.38Å; M302-Y372 HydrophobicContact CE-CE1 4.01Å; M302-Y372 HydrophobicContact CE-CE2 3.99Å; M302-Y372 VanDerWaalsContact CE-CZ 3.49Å; M302-Y372 VanDerWaalsContact CE-OH 3.23Å; M302-Y372 WeakPolarHBondContact CE-OH 3.37Å; M302-M397 HydrophobicContact CE-SD 3.52Å; M302-M397 VanDerWaalsContact CE-SD 3.52Å; M302-M397 HydrophobicContact SD-CE 3.85Å; M302-M397 HydrophobicContact SD-SD 3.46Å
303	I	98.9	Very high	98.8	Very high	15 Å²	15	38.2 Å²	38.2	8%	0.077	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-45.3	178.7	-71.1	164.2	0	0	0	110.7	M28 M70 Y72 L297 N299 I305 N306 Q307	M28-I303 HydrophobicContact CE-CB 4.42Å; M28-I303 HydrophobicContact CE-CD1 4Å; M28-I303 HydrophobicContact CE-CG1 3.83Å; M28-I303 HydrophobicContact CE-CG2 3.76Å; M28-I303 HydrophobicContact SD-CG2 3.87Å; M70-I303 HydrophobicContact CB-CD1 4.05Å; M70-I303 HydrophobicContact CE-CD1 3.52Å; Y72-I303 HydrophobicContact CE2-CD1 4.11Å; L297-I303 WeakPolarHBondContact O-CD1 3.43Å; N299-I303 WeakPolarHBondContact O-CG1 3.43Å; N299-I303 PolarHBondContact O-N 2.9Å; I303-I305 VanDerWaalsContact C-N 3.25Å; I303-I305 PolarHBondContact O-N 2.84Å; I303-N306 PolarHBondContact O-N 3.39Å; I303-N306 VanDerWaalsContact O-N 3.11Å; I303-Q307 HydrophobicContact CG2-CG 4.05Å; I303-Q307 VanDerWaalsContact O-CB 3.3Å; I303-Q307 WeakPolarHBondContact O-CB 3.41Å; I303-Q307 VanDerWaalsContact O-CG 3.32Å; I303-Q307 WeakPolarHBondContact O-CG 3.22Å; I303-Q307 PolarHBondContact O-N 2.71Å
304	K	98.9	Very high	98.8	Very high	129 Å²	129	37.1 Å²	37.1	56%	0.561	20%	0.198	S	C	*	.	H	α-helix	trans	-55.4	-40.9	174.9	174.1	177.8	175.2	173	0	112.3	P300 L301 Q307 D308	P300-K304 WeakPolarHBondContact O-CB 3.38Å; P300-K304 PolarHBondContact O-N 2.78Å; L301-K304 HydrophobicContact CD1-CD 4.38Å; L301-K304 PolarHBondContact O-N 2.73Å; K304-Q307 CarbonylContact O-C 3.56Å; K304-D308 PolarHBondContact O-N 3.28Å
305	I	98.9	Very high	98.8	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-68.4	-44.6	177.1	-66.6	164.2	0	0	0	110.3	T274 L301 M302 I303 Q307 D308 R329 L331 A337 V371 M397 Y399	T274-I305 HydrophobicContact CG2-CB 3.83Å; T274-I305 HydrophobicContact CG2-CG2 3.49Å; T274-I305 VanDerWaalsContact CG2-CG2 3.49Å; L301-I305 HydrophobicContact CD1-CD1 4.37Å; L301-I305 HydrophobicContact CD1-CG1 4.45Å; L301-I305 HydrophobicContact CG-CD1 4.18Å; L301-I305 WeakPolarHBondContact O-CD1 3.42Å; L301-I305 VanDerWaalsContact O-CG1 3.23Å; L301-I305 WeakPolarHBondContact O-CG1 3.35Å; L301-I305 PolarHBondContact O-N 3.01Å; M302-I305 PolarHBondContact O-N 2.82Å; I303-I305 VanDerWaalsContact C-N 3.25Å; I303-I305 PolarHBondContact O-N 2.84Å; I305-Q307 VanDerWaalsContact C-N 3.3Å; I305-Q307 PolarHBondContact O-N 3.13Å; I305-D308 WeakPolarHBondContact O-CB 3.37Å; I305-D308 PolarHBondContact O-N 2.69Å; I305-R329 PolarHBondContact O-NH1 3.42Å; I305-L331 HydrophobicContact CG1-CD1 4.09Å; I305-L331 HydrophobicContact CG2-CD1 4.08Å; I305-L331 HydrophobicContact CG2-CD2 4Å; I305-A337 HydrophobicContact CD1-CB 4.34Å; I305-A337 HydrophobicContact CG2-CB 3.65Å; I305-V371 HydrophobicContact CD1-CG2 3.9Å; I305-M397 HydrophobicContact CD1-CE 3.76Å; I305-M397 HydrophobicContact CG2-CE 4.01Å; I305-Y399 HydrophobicContact CD1-CD2 4.2Å; I305-Y399 HydrophobicContact CG1-CD2 4.09Å
306	N	98.9	Very high	98.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-47	178.3	177.7	-93.9	0	0	0	110.8	T274 A278 L280 M302 I303 D308 R329	T274-N306 HydrophobicContact CG2-CB 3.93Å; A278-N306 PolarHBondContact O-ND2 2.83Å; L280-N306 HydrophobicContact CD1-CB 3.78Å; L280-N306 VanDerWaalsContact CD1-CG 3.47Å; L280-N306 HydrophobicContact CG-CB 4.39Å; M302-N306 PolarHBondContact O-N 3.46Å; I303-N306 PolarHBondContact O-N 3.39Å; I303-N306 VanDerWaalsContact O-N 3.11Å; N306-D308 VanDerWaalsContact C-N 3.27Å; N306-D308 PolarHBondContact O-N 3.09Å; N306-R329 PolarHBondContact O-NH1 3.15Å; N306-R329 PolarHBondContact O-NH2 2.65Å
307	Q	98.9	Very high	98.8	Very high	48 Å²	48	37.7 Å²	37.7	22%	0.224	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	17.8	-177.5	-60.7	-66	-70.9	0	0	113.9	T25 P26 M28 I303 K304 I305	T25-Q307 HydrophobicContact CG2-CB 4.42Å; T25-Q307 WeakPolarHBondContact CG2-O 3.16Å; T25-Q307 PolarHBondContact OG1-OE1 3.31Å; P26-Q307 PolarHBondContact O-NE2 3.25Å; M28-Q307 VanDerWaalsContact SD-CD 3.5Å; M28-Q307 HydrophobicContact SD-CG 3.59Å; M28-Q307 VanDerWaalsContact SD-CG 3.59Å; I303-Q307 HydrophobicContact CG2-CG 4.05Å; I303-Q307 VanDerWaalsContact O-CB 3.3Å; I303-Q307 WeakPolarHBondContact O-CB 3.41Å; I303-Q307 VanDerWaalsContact O-CG 3.32Å; I303-Q307 WeakPolarHBondContact O-CG 3.22Å; I303-Q307 PolarHBondContact O-N 2.71Å; K304-Q307 CarbonylContact O-C 3.56Å; I305-Q307 VanDerWaalsContact C-N 3.3Å; I305-Q307 PolarHBondContact O-N 3.13Å
308	D	98.9	Very high	98.8	Very high	12 Å²	12	41 Å²	41	6%	0.064	21%	0.207	C	C	.	.			trans	-57.6	128	177.5	178.7	-93.2	0	0	0	111.1	K304 I305 N306 L310 G311 L331 S332	K304-D308 PolarHBondContact O-N 3.28Å; I305-D308 WeakPolarHBondContact O-CB 3.37Å; I305-D308 PolarHBondContact O-N 2.69Å; N306-D308 VanDerWaalsContact C-N 3.27Å; N306-D308 PolarHBondContact O-N 3.09Å; D308-L310 PolarHBondContact O-N 3.01Å; D308-L310 VanDerWaalsContact O-N 3.15Å; D308-L310 VanDerWaalsContact OD1-CB 3.27Å; D308-L310 WeakPolarHBondContact OD1-CB 3.5Å; D308-L310 PolarHBondContact OD1-N 3.1Å; D308-G311 PolarHBondContact O-N 3.37Å; D308-L331 HydrophobicContact CB-CD2 3.69Å; D308-S332 PolarHBondContact OD1-N 3.44Å; D308-S332 PolarHBondContact OD1-OG 3.04Å; D308-S332 WeakPolarHBondContact OD2-CB 3.26Å; D308-S332 PolarHBondContact OD2-N 2.77Å; D308-S332 PolarHBondContact OD2-OG 2.87Å
309	P	98.4	Very high	98.8	Very high	91 Å²	91	44.3 Å²	44.3	59%	0.591	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.2	-169	28.2	-37.5	0	0	0	114.2	G311 S332	P309-G311 PolarHBondContact O-N 2.74Å; P309-S332 WeakPolarHBondContact CD-OG 3.17Å; P309-S332 WeakPolarHBondContact CG-OG 3.34Å
310	L	98.5	Very high	98.7	Very high	87 Å²	87	46 Å²	46	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.7	171.9	-59.6	-176.1	0	0	0	111.7	D308 I312	D308-L310 PolarHBondContact O-N 3.01Å; D308-L310 VanDerWaalsContact O-N 3.15Å; D308-L310 VanDerWaalsContact OD1-CB 3.27Å; D308-L310 WeakPolarHBondContact OD1-CB 3.5Å; D308-L310 PolarHBondContact OD1-N 3.1Å; L310-I312 HydrophobicContact CB-CD1 3.99Å; L310-I312 HydrophobicContact CB-CG1 3.97Å; L310-I312 HydrophobicContact CD1-CD1 4.1Å; L310-I312 PolarHBondContact O-N 2.86Å; L310-I312 VanDerWaalsContact O-N 3.13Å
311	G	98.6	Very high	98.6	Very high	1 Å²	1	52 Å²	52	1%	0.01	25%	0.245	C	C	.	.			trans	62.7	19.9	177.8	0	0	0	0	0	114.9	W248 D308 P309 Q313	W248-G311 VanDerWaalsContact CH2-CA 3.45Å; W248-G311 WeakPolarHBondContact CZ3-O 3.11Å; D308-G311 PolarHBondContact O-N 3.37Å; P309-G311 PolarHBondContact O-N 2.74Å; G311-Q313 PolarHBondContact O-N 3.18Å
312	I	98.9	Very high	98.6	Very high	58 Å²	58	51.7 Å²	51.7	30%	0.297	25%	0.245	S	C	.	.			trans	-78.8	114.2	-177.7	-58.6	170.6	0	0	0	108.7	L310 R329 P330	L310-I312 HydrophobicContact CB-CD1 3.99Å; L310-I312 HydrophobicContact CB-CG1 3.97Å; L310-I312 HydrophobicContact CD1-CD1 4.1Å; L310-I312 PolarHBondContact O-N 2.86Å; L310-I312 VanDerWaalsContact O-N 3.13Å; I312-R329 VanDerWaalsContact O-CG 3.25Å; I312-R329 WeakPolarHBondContact O-CG 3.38Å; I312-R329 PolarHBondContact O-NE 3.4Å; I312-P330 HydrophobicContact CD1-CB 4.29Å; I312-P330 HydrophobicContact CG2-CB 4.34Å; I312-P330 HydrophobicContact CG2-CG 4.01Å
313	Q	98.9	Very high	98.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.019	27%	0.266	C	S	.	.			trans	-62.7	135.4	170	169.4	166.5	-20	0	0	110.5	Q240 A243 N249 L276 A277 G311	Q240-Q313 HydrophobicContact CB-CG 4.37Å; Q240-Q313 HydrophobicContact CG-CB 4.05Å; Q240-Q313 HydrophobicContact CG-CG 3.94Å; Q240-Q313 WeakPolarHBondContact CG-O 3.35Å; Q240-Q313 PolarHBondContact NE2-O 2.73Å; A243-Q313 HydrophobicContact CB-CB 3.86Å; A243-Q313 VanDerWaalsContact CB-OE1 3.31Å; N249-Q313 PolarHBondContact ND2-OE1 3.05Å; L276-Q313 VanDerWaalsContact O-CD 3.29Å; L276-Q313 WeakPolarHBondContact O-CG 3.27Å; L276-Q313 PolarHBondContact O-OE1 2.91Å; A277-Q313 HydrophobicContact CB-CB 4.11Å; G311-Q313 PolarHBondContact O-N 3.18Å
314	G	98.9	Very high	98.5	Very high	1 Å²	1	55 Å²	55	1%	0.01	26%	0.262	C	S	.	.			trans	-80.1	-178.3	177.2	0	0	0	0	0	113.8	V275 M328	V275-G314 WeakPolarHBondContact O-CA 3.22Å; V275-G314 PolarHBondContact O-N 2.96Å; G314-M328 CarbonylContact C-O 3.55Å; G314-M328 WeakPolarHBondContact CA-O 3.42Å
315	R	98.9	Very high	98.5	Very high	61 Å²	61	48.9 Å²	48.9	23%	0.23	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.8	-173.3	-60.8	176.9	61.8	82.7	3	110.9	Q236 D237 Q240 I317 Y327 M328	Q236-R315 VanDerWaalsContact C-NH1 3.34Å; Q236-R315 PolarHBondContact O-NH1 3.2Å; D237-R315 IonicContact OD1-CZ 3.67Å; D237-R315 IonicContact OD1-NH1 3.5Å; D237-R315 IonicContact OD1-NH2 3.56Å; D237-R315 PolarHBondContact OD1-NH2 3.38Å; Q240-R315 HydrophobicContact CB-CG 4.17Å; Q240-R315 HydrophobicContact CG-CG 3.66Å; R315-I317 HydrophobicContact CB-CG2 4.48Å; R315-I317 PolarHBondContact O-N 3.47Å; R315-Y327 CarbonylContact O-C 3.48Å; R315-Y327 WeakPolarHBondContact O-CA 3.2Å; R315-M328 PolarHBondContact N-O 2.77Å; R315-M328 PolarHBondContact O-N 2.84Å
316	R	98.9	Very high	98.5	Very high	60 Å²	60	48.8 Å²	48.8	23%	0.226	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.5	158.4	-166.7	-179	67.5	-157.9	-7.7	108.2	V233 Q236 H318 E325 Y327	V233-R316 HydrophobicContact CG1-CB 3.76Å; V233-R316 HydrophobicContact CG1-CG 4.48Å; V233-R316 HydrophobicContact CG2-CB 4.3Å; Q236-R316 PolarHBondContact NE2-O 2.91Å; Q236-R316 VanDerWaalsContact NE2-O 3.12Å; R316-H318 WeakPolarHBondContact CG-O 3.37Å; R316-E325 WeakPolarHBondContact CD-OE2 3.42Å; R316-E325 HydrophobicContact CG-CB 4.42Å; R316-E325 IonicContact NH1-OE1 3.64Å; R316-E325 PolarHBondContact NH1-OE1 3.16Å; R316-E325 IonicContact NH1-OE2 3.76Å; R316-E325 PolarHBondContact NH1-OE2 2.71Å; R316-Y327 HydrophobicContact CB-CD1 3.87Å; R316-Y327 HydrophobicContact CB-CE1 3.61Å; R316-Y327 HydrophobicContact CB-CE2 4.39Å; R316-Y327 HydrophobicContact CB-CG 4.37Å; R316-Y327 HydrophobicContact CG-CD1 4.43Å; R316-Y327 HydrophobicContact CG-CD2 4.35Å; R316-Y327 HydrophobicContact CG-CE1 4.13Å; R316-Y327 HydrophobicContact CG-CE2 4Å
317	I	98.6	Very high	98.5	Very high	51 Å²	51	48.8 Å²	48.8	26%	0.262	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-21.4	-178.5	59.4	161.2	0	0	0	113	R315 V326 M328 L338 L358	R315-I317 HydrophobicContact CB-CG2 4.48Å; R315-I317 PolarHBondContact O-N 3.47Å; I317-V326 HydrophobicContact CD1-CG1 4.16Å; I317-V326 HydrophobicContact CG1-CB 4.25Å; I317-V326 HydrophobicContact CG1-CG1 4.12Å; I317-V326 VanDerWaalsContact CG1-O 3.3Å; I317-V326 WeakPolarHBondContact CG1-O 3.42Å; I317-V326 PolarHBondContact N-O 3.46Å; I317-M328 HydrophobicContact CD1-CB 3.72Å; I317-M328 HydrophobicContact CD1-CG 4.5Å; I317-M328 HydrophobicContact CG1-CB 4.11Å; I317-M328 HydrophobicContact CG2-CB 3.98Å; I317-L338 HydrophobicContact CD1-CD2 4.38Å; I317-L358 HydrophobicContact CD1-CB 4.24Å
318	H	98.1	Very high	98.5	Very high	70 Å²	70	48.7 Å²	48.7	32%	0.324	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149	179.4	-146.8	65.9	0	0	0	111.9	R316 E320 E325 V326 L358	R316-H318 WeakPolarHBondContact CG-O 3.37Å; H318-E320 VanDerWaalsContact CD2-CG 3.49Å; H318-E320 WeakPolarHBondContact CD2-CG 3.26Å; H318-E320 IonicContact CD2-OE1 2.98Å; H318-E320 PolarHBondContact CD2-OE1 2.95Å; H318-E320 IonicContact NE2-OE1 3.69Å; H318-E325 WeakPolarHBondContact O-CA 3.42Å; H318-V326 HydrophobicContact CB-CB 3.93Å; H318-V326 HydrophobicContact CB-CG2 4.15Å; H318-V326 PolarHBondContact N-O 2.83Å; H318-V326 PolarHBondContact O-N 3.1Å; H318-L358 HydrophobicContact CB-CD2 4.47Å
319	K	98	Very high	98.5	Very high	106 Å²	106	48.1 Å²	48.1	46%	0.461	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	124.7	171.9	176.6	168.8	-171.9	147.3	0	109.1	E325	K319-E325 HydrophobicContact CB-CG 4.36Å; K319-E325 HydrophobicContact CD-CG 4.3Å; K319-E325 WeakPolarHBondContact CD-OE1 3.08Å; K319-E325 VanDerWaalsContact CE-OE1 3.27Å; K319-E325 WeakPolarHBondContact CE-OE1 3.44Å; K319-E325 HydrophobicContact CG-CG 4.07Å; K319-E325 IonicContact NZ-OE1 3.46Å; K319-E325 PolarHBondContact NZ-OE1 2.84Å
320	E	97.4	Very high	98.6	Very high	58 Å²	58	45.9 Å²	45.9	27%	0.271	22%	0.218	S	C	.	.			trans	-108	160.8	-175.7	-66.7	-165.5	-159.8	0	0	113.4	H318 S322 L323 I324 Y351	H318-E320 VanDerWaalsContact CD2-CG 3.49Å; H318-E320 WeakPolarHBondContact CD2-CG 3.26Å; H318-E320 IonicContact CD2-OE1 2.98Å; H318-E320 PolarHBondContact CD2-OE1 2.95Å; H318-E320 IonicContact NE2-OE1 3.69Å; E320-S322 VanDerWaalsContact CB-OG 3.27Å; E320-S322 WeakPolarHBondContact CB-OG 3.46Å; E320-S322 PolarHBondContact O-N 3.13Å; E320-L323 PolarHBondContact O-N 3Å; E320-I324 PolarHBondContact N-O 2.93Å; E320-Y351 WeakPolarHBondContact OE1-CE2 3.15Å; E320-Y351 VanDerWaalsContact OE1-CZ 3.32Å; E320-Y351 PolarHBondContact OE1-OH 3.36Å
321	K	97.6	Very high	98.6	Very high	217 Å²	217	42.1 Å²	42.1	94%	0.943	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.1	172.6	-65.6	-178.5	-179.1	176.8	0	112.5	L323	K321-L323 PolarHBondContact O-N 3.41Å
322	S	97.9	Very high	98.5	Very high	15 Å²	15	43 Å²	43	11%	0.105	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-5	173.4	56.8	0	0	0	0	113.6	E320 I324 R344 Y349	E320-S322 VanDerWaalsContact CB-OG 3.27Å; E320-S322 WeakPolarHBondContact CB-OG 3.46Å; E320-S322 PolarHBondContact O-N 3.13Å; S322-I324 PolarHBondContact O-N 3.22Å; S322-R344 WeakPolarHBondContact O-CD 3.47Å; S322-R344 VanDerWaalsContact O-CG 3.3Å; S322-R344 WeakPolarHBondContact O-CG 3.4Å; S322-R344 PolarHBondContact O-NH1 2.95Å; S322-Y349 WeakPolarHBondContact CB-OH 3.48Å
323	L	98.5	Very high	98.4	Very high	83 Å²	83	46.2 Å²	46.2	44%	0.435	22%	0.222	S	C	.	.	S	Bend	trans	67.1	21	-173.3	-48.6	177.7	0	0	0	113.7	E320 K321 C343 R344	E320-L323 PolarHBondContact O-N 3Å; K321-L323 PolarHBondContact O-N 3.41Å; L323-C343 HydrophobicContact CB-CB 4.08Å; L323-C343 WeakPolarHBondContact O-CB 3.48Å; L323-C343 PolarHBondContact O-N 2.67Å; L323-R344 HydrophobicContact CB-CG 3.98Å
324	I	98.8	Very high	98.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.7	165.7	-55.1	-51.5	0	0	0	108.9	E320 S322 F341 R344 Y349 Y351 I390	E320-I324 PolarHBondContact N-O 2.93Å; S322-I324 PolarHBondContact O-N 3.22Å; I324-F341 WeakPolarHBondContact CA-O 3.36Å; I324-R344 HydrophobicContact CD1-CG 4.43Å; I324-Y349 HydrophobicContact CD1-CD1 3.88Å; I324-Y349 HydrophobicContact CD1-CG 4.35Å; I324-Y349 HydrophobicContact CG1-CD1 3.67Å; I324-Y349 HydrophobicContact CG1-CE1 3.9Å; I324-Y351 HydrophobicContact CB-CD2 4.16Å; I324-Y351 HydrophobicContact CB-CE2 4.39Å; I324-Y351 HydrophobicContact CG1-CD2 4.16Å; I324-Y351 HydrophobicContact CG2-CD1 4.26Å; I324-Y351 HydrophobicContact CG2-CD2 3.91Å; I324-Y351 HydrophobicContact CG2-CE1 4.44Å; I324-Y351 HydrophobicContact CG2-CE2 4.14Å; I324-Y351 HydrophobicContact CG2-CG 3.99Å; I324-I390 HydrophobicContact CD1-CD1 4.06Å; I324-I390 HydrophobicContact CG2-CD1 3.86Å
325	E	98.9	Very high	98.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.1	173	-60.4	-166	166.3	0	0	109.3	R316 H318 K319 Y327 F341	R316-E325 WeakPolarHBondContact CD-OE2 3.42Å; R316-E325 HydrophobicContact CG-CB 4.42Å; R316-E325 IonicContact NH1-OE1 3.64Å; R316-E325 PolarHBondContact NH1-OE1 3.16Å; R316-E325 IonicContact NH1-OE2 3.76Å; R316-E325 PolarHBondContact NH1-OE2 2.71Å; H318-E325 WeakPolarHBondContact O-CA 3.42Å; K319-E325 HydrophobicContact CB-CG 4.36Å; K319-E325 HydrophobicContact CD-CG 4.3Å; K319-E325 WeakPolarHBondContact CD-OE1 3.08Å; K319-E325 VanDerWaalsContact CE-OE1 3.27Å; K319-E325 WeakPolarHBondContact CE-OE1 3.44Å; K319-E325 HydrophobicContact CG-CG 4.07Å; K319-E325 IonicContact NZ-OE1 3.46Å; K319-E325 PolarHBondContact NZ-OE1 2.84Å; E325-Y327 HydrophobicContact CB-CD2 4.43Å; E325-Y327 HydrophobicContact CB-CE2 3.73Å; E325-Y327 PolarHBondContact OE2-OH 3Å; E325-F341 HydrophobicContact CB-CB 4.5Å; E325-F341 HydrophobicContact CB-CD1 4.31Å; E325-F341 PolarHBondContact N-O 3.09Å; E325-F341 PolarHBondContact O-N 3.33Å
326	V	98.9	Very high	98.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.1	176	-171.7	0	0	0	0	109.1	I317 H318 L338 V339 F340 Y351 L358	I317-V326 HydrophobicContact CD1-CG1 4.16Å; I317-V326 HydrophobicContact CG1-CB 4.25Å; I317-V326 HydrophobicContact CG1-CG1 4.12Å; I317-V326 VanDerWaalsContact CG1-O 3.3Å; I317-V326 WeakPolarHBondContact CG1-O 3.42Å; I317-V326 PolarHBondContact N-O 3.46Å; H318-V326 HydrophobicContact CB-CB 3.93Å; H318-V326 HydrophobicContact CB-CG2 4.15Å; H318-V326 PolarHBondContact N-O 2.83Å; H318-V326 PolarHBondContact O-N 3.1Å; V326-L338 HydrophobicContact CG1-CD2 4.22Å; V326-V339 WeakPolarHBondContact CA-O 3.38Å; V326-F340 HydrophobicContact CG1-CD1 4.16Å; V326-F340 HydrophobicContact CG1-CE1 4.2Å; V326-F340 HydrophobicContact CG2-CD1 3.99Å; V326-F340 HydrophobicContact CG2-CE1 4.48Å; V326-Y351 HydrophobicContact CG2-CE1 4.06Å; V326-L358 HydrophobicContact CB-CD2 4.21Å; V326-L358 HydrophobicContact CG1-CD1 4.2Å; V326-L358 HydrophobicContact CG1-CD2 3.98Å; V326-L358 HydrophobicContact CG2-CD2 4.05Å
327	Y	98.9	Very high	98.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.6	174.7	-62.7	-111.1	0	0	0	109.8	L229 V233 L272 V275 R315 R316 E325 L338 V339 F341	L229-Y327 HydrophobicContact CD1-CE1 4.08Å; V233-Y327 HydrophobicContact CG2-CE1 3.61Å; V233-Y327 WeakPolarHBondContact CG2-OH 3.4Å; L272-Y327 HydrophobicContact CD2-CD1 4.28Å; L272-Y327 HydrophobicContact CD2-CD2 3.88Å; L272-Y327 HydrophobicContact CD2-CE1 4.22Å; L272-Y327 HydrophobicContact CD2-CE2 3.87Å; L272-Y327 HydrophobicContact CD2-CG 4.13Å; V275-Y327 HydrophobicContact CG1-CD1 4.16Å; V275-Y327 HydrophobicContact CG1-CG 4.26Å; R315-Y327 CarbonylContact O-C 3.48Å; R315-Y327 WeakPolarHBondContact O-CA 3.2Å; R316-Y327 HydrophobicContact CB-CD1 3.87Å; R316-Y327 HydrophobicContact CB-CE1 3.61Å; R316-Y327 HydrophobicContact CB-CE2 4.39Å; R316-Y327 HydrophobicContact CB-CG 4.37Å; R316-Y327 HydrophobicContact CG-CD1 4.43Å; R316-Y327 HydrophobicContact CG-CD2 4.35Å; R316-Y327 HydrophobicContact CG-CE1 4.13Å; R316-Y327 HydrophobicContact CG-CE2 4Å; E325-Y327 HydrophobicContact CB-CD2 4.43Å; E325-Y327 HydrophobicContact CB-CE2 3.73Å; E325-Y327 PolarHBondContact OE2-OH 3Å; Y327-L338 WeakPolarHBondContact O-CA 3.39Å; Y327-V339 PolarHBondContact N-O 3.32Å; Y327-V339 PolarHBondContact O-N 3.19Å; Y327-F341 HydrophobicContact CE2-CB 4.33Å; Y327-F341 HydrophobicContact CE2-CD1 4.17Å
328	M	98.9	Very high	98.3	Very high	46 Å²	46	47.1 Å²	47.1	23%	0.227	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.7	177.3	-170.7	-84.5	-70.6	0	0	110.5	G314 R315 I317 P330 A337 L338 F360	G314-M328 CarbonylContact C-O 3.55Å; G314-M328 WeakPolarHBondContact CA-O 3.42Å; R315-M328 PolarHBondContact N-O 2.77Å; R315-M328 PolarHBondContact O-N 2.84Å; I317-M328 HydrophobicContact CD1-CB 3.72Å; I317-M328 HydrophobicContact CD1-CG 4.5Å; I317-M328 HydrophobicContact CG1-CB 4.11Å; I317-M328 HydrophobicContact CG2-CB 3.98Å; M328-P330 HydrophobicContact CE-CG 4.37Å; M328-P330 HydrophobicContact SD-CG 4.01Å; M328-A337 CarbonylContact C-O 3.59Å; M328-A337 VanDerWaalsContact CA-O 3.24Å; M328-A337 WeakPolarHBondContact CA-O 3.34Å; M328-L338 HydrophobicContact CB-CD2 3.77Å; M328-L338 HydrophobicContact CG-CD2 3.7Å; M328-F360 HydrophobicContact CG-CZ 4.48Å
329	R	98.9	Very high	98.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.7	170.2	-176.8	175.7	178.3	-171.3	-10.9	109.4	T274 V275 A277 I305 N306 I312 L331 S336 A337	T274-R329 PolarHBondContact O-NH1 3.11Å; V275-R329 HydrophobicContact CB-CB 4.46Å; V275-R329 HydrophobicContact CG2-CB 3.54Å; V275-R329 WeakPolarHBondContact O-CD 2.99Å; A277-R329 VanDerWaalsContact CB-CZ 3.47Å; I305-R329 PolarHBondContact O-NH1 3.42Å; N306-R329 PolarHBondContact O-NH1 3.15Å; N306-R329 PolarHBondContact O-NH2 2.65Å; I312-R329 VanDerWaalsContact O-CG 3.25Å; I312-R329 WeakPolarHBondContact O-CG 3.38Å; I312-R329 PolarHBondContact O-NE 3.4Å; R329-L331 HydrophobicContact CG-CD2 3.9Å; R329-S336 CarbonylContact O-C 3.6Å; R329-S336 VanDerWaalsContact O-CA 3.27Å; R329-S336 WeakPolarHBondContact O-CA 3.31Å; R329-A337 HydrophobicContact CB-CB 4.32Å; R329-A337 PolarHBondContact N-O 2.99Å; R329-A337 PolarHBondContact O-N 2.99Å
330	P	98.8	Very high	98.4	Very high	45 Å²	45	38.8 Å²	38.8	29%	0.292	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.3	168.9	-18.2	32.2	0	0	0	110.7	I312 M328	I312-P330 HydrophobicContact CD1-CB 4.29Å; I312-P330 HydrophobicContact CG2-CB 4.34Å; I312-P330 HydrophobicContact CG2-CG 4.01Å; M328-P330 HydrophobicContact CE-CG 4.37Å; M328-P330 HydrophobicContact SD-CG 4.01Å
331	L	98.8	Very high	98.4	Very high	7 Å²	7	36 Å²	36	4%	0.037	18%	0.179	C	C	.	.			trans	-129.2	171.1	-179	-53.8	173.8	0	0	0	111.1	I305 D308 R329 A335 A337 Y399	I305-L331 HydrophobicContact CG1-CD1 4.09Å; I305-L331 HydrophobicContact CG2-CD1 4.08Å; I305-L331 HydrophobicContact CG2-CD2 4Å; D308-L331 HydrophobicContact CB-CD2 3.69Å; R329-L331 HydrophobicContact CG-CD2 3.9Å; L331-A335 WeakPolarHBondContact CA-O 3.38Å; L331-A335 HydrophobicContact CB-CB 4.16Å; L331-A335 WeakPolarHBondContact CB-O 3.27Å; L331-A335 PolarHBondContact N-O 3.24Å; L331-A337 HydrophobicContact CD1-CB 4.1Å; L331-Y399 HydrophobicContact CD1-CD2 3.74Å; L331-Y399 HydrophobicContact CD1-CE2 3.65Å
332	S	97.8	Very high	98.5	Very high	20 Å²	20	25.7 Å²	25.7	14%	0.14	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-53	154.9	174.3	-59.4	0	0	0	0	112.5	D308 P309 K334 A335	D308-S332 PolarHBondContact OD1-N 3.44Å; D308-S332 PolarHBondContact OD1-OG 3.04Å; D308-S332 WeakPolarHBondContact OD2-CB 3.26Å; D308-S332 PolarHBondContact OD2-N 2.77Å; D308-S332 PolarHBondContact OD2-OG 2.87Å; P309-S332 WeakPolarHBondContact CD-OG 3.17Å; P309-S332 WeakPolarHBondContact CG-OG 3.34Å; S332-K334 PolarHBondContact O-N 3.49Å; S332-K334 VanDerWaalsContact O-N 3.17Å; S332-A335 WeakPolarHBondContact O-CB 3.17Å; S332-A335 PolarHBondContact O-N 3.43Å; S332-A335 VanDerWaalsContact O-N 3.11Å
333	N	96.3	Very high	98.5	Very high	125 Å²	125	26.9 Å²	26.9	67%	0.668	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	56.8	29.7	177.8	-55.5	-40.6	0	0	0	113.8	A335 N405	N333-A335 PolarHBondContact O-N 3.42Å; N333-N405 PolarHBondContact O-ND2 3.15Å
334	K	96.7	Very high	98.5	Very high	180 Å²	180	25.4 Å²	25.4	78%	0.783	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	60.9	22.3	-178.2	-49	177.7	-179.8	178.4	0	113.5	S332 P402	S332-K334 PolarHBondContact O-N 3.49Å; S332-K334 VanDerWaalsContact O-N 3.17Å; K334-P402 HydrophobicContact CB-CG 4.43Å
335	A	98.3	Very high	98.5	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.017	17%	0.171	C	C	.	.			trans	-79.7	166.7	168.3	0	0	0	0	0	110.4	L331 S332 N333 Y399 L400	L331-A335 WeakPolarHBondContact CA-O 3.38Å; L331-A335 HydrophobicContact CB-CB 4.16Å; L331-A335 WeakPolarHBondContact CB-O 3.27Å; L331-A335 PolarHBondContact N-O 3.24Å; S332-A335 WeakPolarHBondContact O-CB 3.17Å; S332-A335 PolarHBondContact O-N 3.43Å; S332-A335 VanDerWaalsContact O-N 3.11Å; N333-A335 PolarHBondContact O-N 3.42Å; A335-Y399 HydrophobicContact CB-CE2 3.6Å; A335-L400 CarbonylContact C-O 3.6Å; A335-L400 VanDerWaalsContact CA-O 3.26Å; A335-L400 WeakPolarHBondContact CA-O 3.42Å; A335-L400 WeakPolarHBondContact CB-O 3.43Å
336	S	98.8	Very high	98.5	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.7	174.6	-59.5	0	0	0	0	110.2	R329 L400	R329-S336 CarbonylContact O-C 3.6Å; R329-S336 VanDerWaalsContact O-CA 3.27Å; R329-S336 WeakPolarHBondContact O-CA 3.31Å; S336-L400 PolarHBondContact N-O 3.22Å; S336-L400 PolarHBondContact O-N 3.05Å
337	A	98.9	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.8	160.2	0	0	0	0	0	109.5	I305 M328 R329 L331 M397 W398	I305-A337 HydrophobicContact CD1-CB 4.34Å; I305-A337 HydrophobicContact CG2-CB 3.65Å; M328-A337 CarbonylContact C-O 3.59Å; M328-A337 VanDerWaalsContact CA-O 3.24Å; M328-A337 WeakPolarHBondContact CA-O 3.34Å; R329-A337 HydrophobicContact CB-CB 4.32Å; R329-A337 PolarHBondContact N-O 2.99Å; R329-A337 PolarHBondContact O-N 2.99Å; L331-A337 HydrophobicContact CD1-CB 4.1Å; A337-M397 HydrophobicContact CB-CE 3.87Å; A337-W398 CarbonylContact C-O 3.44Å; A337-W398 VanDerWaalsContact CA-O 3.31Å; A337-W398 WeakPolarHBondContact CA-O 3.47Å
338	L	98.9	Very high	98.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.1	170.3	-72.6	171	0	0	0	109.2	I317 V326 Y327 M328 F340 L355 L358 F360 M397 W398 L400	I317-L338 HydrophobicContact CD1-CD2 4.38Å; V326-L338 HydrophobicContact CG1-CD2 4.22Å; Y327-L338 WeakPolarHBondContact O-CA 3.39Å; M328-L338 HydrophobicContact CB-CD2 3.77Å; M328-L338 HydrophobicContact CG-CD2 3.7Å; L338-F340 HydrophobicContact CB-CE2 4.17Å; L338-F340 HydrophobicContact CB-CZ 4.19Å; L338-F340 HydrophobicContact CD1-CZ 4.24Å; L338-L355 HydrophobicContact CD1-CD2 4.12Å; L338-L358 HydrophobicContact CD1-CD1 4.27Å; L338-L358 HydrophobicContact CD2-CD1 4.5Å; L338-F360 HydrophobicContact CD1-CE2 4.14Å; L338-F360 HydrophobicContact CD1-CZ 4.24Å; L338-F360 HydrophobicContact CD2-CE2 4.16Å; L338-F360 HydrophobicContact CD2-CZ 4.36Å; L338-F360 HydrophobicContact CG-CZ 4.49Å; L338-M397 CarbonylContact O-C 3.37Å; L338-M397 VanDerWaalsContact O-CA 3.3Å; L338-M397 WeakPolarHBondContact O-CA 3.08Å; L338-W398 HydrophobicContact CB-CB 4.41Å; L338-W398 PolarHBondContact N-O 2.98Å; L338-W398 PolarHBondContact O-N 2.03Å; L338-L400 HydrophobicContact CD1-CD2 4.02Å
339	V	98.9	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.5	171.4	-177	0	0	0	0	108.1	A271 L272 V275 V326 Y327 F341 V395 M397	A271-V339 HydrophobicContact CB-CG1 4.18Å; A271-V339 HydrophobicContact CB-CG2 4.21Å; L272-V339 HydrophobicContact CD2-CG1 4.25Å; V275-V339 HydrophobicContact CB-CG2 3.99Å; V275-V339 HydrophobicContact CG1-CG2 4.28Å; V275-V339 HydrophobicContact CG2-CG2 4.26Å; V326-V339 WeakPolarHBondContact CA-O 3.38Å; Y327-V339 PolarHBondContact N-O 3.32Å; Y327-V339 PolarHBondContact O-N 3.19Å; V339-F341 HydrophobicContact CG1-CB 4.46Å; V339-V395 HydrophobicContact CG1-CB 3.97Å; V339-V395 HydrophobicContact CG1-CG1 3.63Å; V339-M397 HydrophobicContact CG2-CB 4.42Å; V339-M397 HydrophobicContact CG2-CE 4.26Å; V339-M397 HydrophobicContact CG2-CG 3.88Å; V339-M397 HydrophobicContact CG2-SD 4.02Å
340	F	98.9	Very high	98.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.4	171.2	-50	-86	0	0	0	107.9	V326 L338 Y351 L358 F386 V388 I390 V395 V396 W398	V326-F340 HydrophobicContact CG1-CD1 4.16Å; V326-F340 HydrophobicContact CG1-CE1 4.2Å; V326-F340 HydrophobicContact CG2-CD1 3.99Å; V326-F340 HydrophobicContact CG2-CE1 4.48Å; L338-F340 HydrophobicContact CB-CE2 4.17Å; L338-F340 HydrophobicContact CB-CZ 4.19Å; L338-F340 HydrophobicContact CD1-CZ 4.24Å; F340-Y351 AromaticContact CD1-CD1 3.84Å; F340-Y351 HydrophobicContact CD1-CD1 3.84Å; F340-Y351 AromaticContact CD1-CE1 3.81Å; F340-Y351 HydrophobicContact CD1-CE1 3.81Å; F340-Y351 HydrophobicContact CE1-CD1 4.34Å; F340-Y351 HydrophobicContact CE1-CE1 4.1Å; F340-L358 HydrophobicContact CE1-CD1 3.99Å; F340-L358 HydrophobicContact CZ-CD1 4.46Å; F340-F386 HydrophobicContact CE1-CE2 4Å; F340-F386 HydrophobicContact CE1-CZ 4.17Å; F340-F386 AromaticContact CZ-CE2 3.9Å; F340-F386 HydrophobicContact CZ-CE2 3.9Å; F340-F386 HydrophobicContact CZ-CZ 4.06Å; F340-V388 HydrophobicContact CB-CG2 4.16Å; F340-V388 HydrophobicContact CD1-CG2 4.22Å; F340-V388 HydrophobicContact CD2-CG1 4.41Å; F340-V388 HydrophobicContact CD2-CG2 4.14Å; F340-V388 HydrophobicContact CE2-CG1 4.32Å; F340-V388 HydrophobicContact CG-CG2 3.92Å; F340-I390 HydrophobicContact CB-CD1 3.56Å; F340-I390 HydrophobicContact CB-CG1 4.25Å; F340-V395 CarbonylContact O-C 3.4Å; F340-V395 VanDerWaalsContact O-CA 3.25Å; F340-V395 WeakPolarHBondContact O-CA 3.19Å; F340-V396 HydrophobicContact CB-CB 4.4Å; F340-V396 HydrophobicContact CD2-CB 4.16Å; F340-V396 HydrophobicContact CD2-CG1 4.1Å; F340-V396 WeakPolarHBondContact CD2-O 3.45Å; F340-V396 PolarHBondContact N-O 2.81Å; F340-V396 PolarHBondContact O-N 2.95Å; F340-W398 AromaticContact CE2-CD2 3.76Å; F340-W398 HydrophobicContact CE2-CD2 3.76Å; F340-W398 AromaticContact CE2-CE3 3.88Å; F340-W398 HydrophobicContact CE2-CE3 3.88Å; F340-W398 HydrophobicContact CE2-CG 4.06Å; F340-W398 HydrophobicContact CE2-CZ3 4.4Å; F340-W398 HydrophobicContact CZ-CD2 4.36Å; F340-W398 HydrophobicContact CZ-CE3 4Å; F340-W398 HydrophobicContact CZ-CZ3 4.23Å
341	F	98.9	Very high	98.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.4	-170.3	172.8	-131.9	0	0	0	111	W222 L226 L229 A268 L272 I324 E325 Y327 V339 C343 G394 V395	W222-F341 AromaticContact CH2-CE2 3.87Å; W222-F341 HydrophobicContact CH2-CE2 3.87Å; W222-F341 AromaticContact CH2-CZ 3.94Å; W222-F341 HydrophobicContact CH2-CZ 3.94Å; W222-F341 AromaticContact CZ2-CE2 3.7Å; W222-F341 HydrophobicContact CZ2-CE2 3.7Å; W222-F341 AromaticContact CZ2-CZ 3.6Å; W222-F341 HydrophobicContact CZ2-CZ 3.6Å; L226-F341 HydrophobicContact CD2-CE1 4.27Å; L226-F341 HydrophobicContact CD2-CZ 3.86Å; L229-F341 HydrophobicContact CD2-CD1 4.27Å; L229-F341 HydrophobicContact CD2-CE1 3.73Å; L229-F341 HydrophobicContact CD2-CZ 4.44Å; A268-F341 HydrophobicContact CB-CE2 4.31Å; L272-F341 HydrophobicContact CD1-CD1 4.41Å; L272-F341 HydrophobicContact CD1-CD2 4.41Å; L272-F341 HydrophobicContact CD1-CE1 4.41Å; L272-F341 HydrophobicContact CD1-CE2 4.44Å; L272-F341 HydrophobicContact CD1-CG 4.41Å; L272-F341 HydrophobicContact CD1-CZ 4.44Å; I324-F341 WeakPolarHBondContact CA-O 3.36Å; E325-F341 HydrophobicContact CB-CB 4.5Å; E325-F341 HydrophobicContact CB-CD1 4.31Å; E325-F341 PolarHBondContact N-O 3.09Å; E325-F341 PolarHBondContact O-N 3.33Å; Y327-F341 HydrophobicContact CE2-CB 4.33Å; Y327-F341 HydrophobicContact CE2-CD1 4.17Å; V339-F341 HydrophobicContact CG1-CB 4.46Å; F341-C343 WeakPolarHBondContact CE1-SG 3.45Å; F341-G394 WeakPolarHBondContact CD2-O 3.44Å; F341-V395 HydrophobicContact CB-CG1 4.05Å; F341-V395 HydrophobicContact CD2-CG1 3.72Å; F341-V395 HydrophobicContact CG-CG1 4.28Å
342	S	98.9	Very high	98.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.8	178.2	-177.1	0	0	0	0	111.4	R344 N391 S393 G394	S342-R344 PolarHBondContact O-N 2.73Å; S342-R344 VanDerWaalsContact OG-CB 3.32Å; S342-R344 WeakPolarHBondContact OG-CB 3.37Å; S342-R344 WeakPolarHBondContact OG-CG 3.44Å; S342-R344 PolarHBondContact OG-N 3.49Å; S342-N391 VanDerWaalsContact CB-O 3.29Å; S342-N391 WeakPolarHBondContact CB-O 3.02Å; S342-S393 VanDerWaalsContact O-CA 3.28Å; S342-S393 WeakPolarHBondContact O-CA 3.25Å; S342-S393 PolarHBondContact O-N 3.19Å; S342-S393 VanDerWaalsContact O-N 3.09Å; S342-G394 PolarHBondContact N-O 2.93Å; S342-G394 VanDerWaalsContact N-O 3.09Å
343	C	98.6	Very high	98.5	Very high	41 Å²	41	54 Å²	54	28%	0.277	27%	0.274	S	S	.	.			trans	-80.9	8.5	166.9	-67.4	0	0	0	0	112.4	L323 F341	L323-C343 HydrophobicContact CB-CB 4.08Å; L323-C343 WeakPolarHBondContact O-CB 3.48Å; L323-C343 PolarHBondContact O-N 2.67Å; F341-C343 WeakPolarHBondContact CE1-SG 3.45Å
344	R	98.6	Very high	98.6	Very high	51 Å²	51	48.5 Å²	48.5	19%	0.192	25%	0.245	C	C	.	.			trans	-74.9	158.6	177.3	-53.5	177.9	65.4	85.4	-3.3	110.9	S322 L323 I324 S342 D346 P392 S393	S322-R344 WeakPolarHBondContact O-CD 3.47Å; S322-R344 VanDerWaalsContact O-CG 3.3Å; S322-R344 WeakPolarHBondContact O-CG 3.4Å; S322-R344 PolarHBondContact O-NH1 2.95Å; L323-R344 HydrophobicContact CB-CG 3.98Å; I324-R344 HydrophobicContact CD1-CG 4.43Å; S342-R344 PolarHBondContact O-N 2.73Å; S342-R344 VanDerWaalsContact OG-CB 3.32Å; S342-R344 WeakPolarHBondContact OG-CB 3.37Å; S342-R344 WeakPolarHBondContact OG-CG 3.44Å; S342-R344 PolarHBondContact OG-N 3.49Å; R344-D346 WeakPolarHBondContact CB-OD1 3.39Å; R344-D346 IonicContact CZ-OD1 3.32Å; R344-D346 IonicContact CZ-OD2 2.77Å; R344-D346 IonicContact NE-OD1 3.83Å; R344-D346 PolarHBondContact NE-OD1 3.15Å; R344-D346 IonicContact NE-OD2 2.92Å; R344-D346 IonicContact NH2-OD1 2.94Å; R344-D346 PolarHBondContact NH2-OD1 2.87Å; R344-D346 IonicContact NH2-OD2 3.98Å; R344-D346 PolarHBondContact NH2-OD2 3.11Å; R344-P392 WeakPolarHBondContact O-CA 3.01Å; R344-P392 WeakPolarHBondContact O-CB 3.44Å; R344-S393 PolarHBondContact O-N 3.49Å
345	T	98.3	Very high	98.6	Very high	138 Å²	138	40 Å²	40	85%	0.847	21%	0.208	S	C	*	.	S	Bend	trans	-129.4	18.4	-179	56.1	0	0	0	0	112.8
346	D	98.1	Very high	98.6	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	22%	0.222	S	C	.	.	S	Bend	trans	-104.9	-85.6	-178.1	61.6	-22.3	0	0	0	112.6	R344	R344-D346 WeakPolarHBondContact CB-OD1 3.39Å; R344-D346 IonicContact CZ-OD1 3.32Å; R344-D346 IonicContact CZ-OD2 2.77Å; R344-D346 IonicContact NE-OD1 3.83Å; R344-D346 PolarHBondContact NE-OD1 3.15Å; R344-D346 IonicContact NE-OD2 2.92Å; R344-D346 IonicContact NH2-OD1 2.94Å; R344-D346 PolarHBondContact NH2-OD1 2.87Å; R344-D346 IonicContact NH2-OD2 3.98Å; R344-D346 PolarHBondContact NH2-OD2 3.11Å
347	M	98.4	Very high	98.6	Very high	129 Å²	129	45.9 Å²	45.9	64%	0.635	24%	0.242	S	C	*	.	S	Bend	trans	-147.4	171.8	-172.8	73.9	179.3	-177.7	0	0	110.9	Y349	M347-Y349 PolarHBondContact O-N 3.19Å
348	P	98.8	Very high	98.5	Very high	62 Å²	62	46.2 Å²	46.2	40%	0.403	24%	0.244	S	C	.	.			trans	-53.8	135.5	178.3	-25.1	34.7	0	0	0	112	I389 I390 N391	P348-I389 HydrophobicContact CB-CG2 3.86Å; P348-I390 WeakPolarHBondContact CA-O 3.22Å; P348-N391 WeakPolarHBondContact CG-OD1 3.39Å
349	Y	98.8	Very high	98.4	Very high	73 Å²	73	52.2 Å²	52.2	29%	0.286	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	-176.4	-171.8	-97.2	0	0	0	110.9	S322 I324 M347 Y351 I389 I390	S322-Y349 WeakPolarHBondContact CB-OH 3.48Å; I324-Y349 HydrophobicContact CD1-CD1 3.88Å; I324-Y349 HydrophobicContact CD1-CG 4.35Å; I324-Y349 HydrophobicContact CG1-CD1 3.67Å; I324-Y349 HydrophobicContact CG1-CE1 3.9Å; M347-Y349 PolarHBondContact O-N 3.19Å; Y349-Y351 HydrophobicContact CE1-CD2 4.32Å; Y349-Y351 PolarHBondContact O-N 3.04Å; Y349-I389 WeakPolarHBondContact O-CA 3.34Å; Y349-I390 PolarHBondContact N-O 3.11Å; Y349-I390 PolarHBondContact O-N 3.05Å
350	H	98.8	Very high	98.3	Very high	103 Å²	103	53.5 Å²	53.5	48%	0.477	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	99.2	173.7	-72.1	-127.8	0	0	0	108.6	T387	H350-T387 HydrophobicContact CB-CG2 3.98Å
351	Y	98.7	Very high	98	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	114.3	178.3	-178.7	-120.2	0	0	0	110.3	E320 I324 V326 F340 Y349 S353 T387 V388 I390	E320-Y351 WeakPolarHBondContact OE1-CE2 3.15Å; E320-Y351 VanDerWaalsContact OE1-CZ 3.32Å; E320-Y351 PolarHBondContact OE1-OH 3.36Å; I324-Y351 HydrophobicContact CB-CD2 4.16Å; I324-Y351 HydrophobicContact CB-CE2 4.39Å; I324-Y351 HydrophobicContact CG1-CD2 4.16Å; I324-Y351 HydrophobicContact CG2-CD1 4.26Å; I324-Y351 HydrophobicContact CG2-CD2 3.91Å; I324-Y351 HydrophobicContact CG2-CE1 4.44Å; I324-Y351 HydrophobicContact CG2-CE2 4.14Å; I324-Y351 HydrophobicContact CG2-CG 3.99Å; V326-Y351 HydrophobicContact CG2-CE1 4.06Å; F340-Y351 AromaticContact CD1-CD1 3.84Å; F340-Y351 HydrophobicContact CD1-CD1 3.84Å; F340-Y351 AromaticContact CD1-CE1 3.81Å; F340-Y351 HydrophobicContact CD1-CE1 3.81Å; F340-Y351 HydrophobicContact CE1-CD1 4.34Å; F340-Y351 HydrophobicContact CE1-CE1 4.1Å; Y349-Y351 HydrophobicContact CE1-CD2 4.32Å; Y349-Y351 PolarHBondContact O-N 3.04Å; Y351-S353 PolarHBondContact OH-OG 2.76Å; Y351-T387 VanDerWaalsContact O-CA 3.26Å; Y351-T387 WeakPolarHBondContact O-CA 3.49Å; Y351-V388 HydrophobicContact CD1-CG2 3.87Å; Y351-V388 HydrophobicContact CG-CG2 4.35Å; Y351-V388 PolarHBondContact N-O 3.23Å; Y351-V388 PolarHBondContact O-N 3.13Å; Y351-I390 HydrophobicContact CG-CD1 4.36Å
352	H	98.6	Very high	97.6	Very high	123 Å²	123	61.5 Å²	61.5	57%	0.569	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.8	177.3	-56.4	-70	0	0	0	109.9	F386 T387	H352-F386 WeakPolarHBondContact CA-O 3.43Å; H352-T387 PolarHBondContact CE1-OG1 2.92Å; H352-T387 PolarHBondContact ND1-OG1 3.43Å
353	S	98.5	Very high	97.2	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.014	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-178.2	179.6	-161.4	0	0	0	0	112.1	Y351 Q357 N385 F386	Y351-S353 PolarHBondContact OH-OG 2.76Å; S353-Q357 VanDerWaalsContact CA-OE1 3.28Å; S353-Q357 PolarHBondContact OG-OE1 2.81Å; S353-N385 WeakPolarHBondContact O-CA 3.48Å; S353-F386 PolarHBondContact N-O 2.53Å; S353-F386 VanDerWaalsContact N-O 3.08Å; S353-F386 PolarHBondContact O-N 2.04Å
354	S	98.4	Very high	97	Very high	9 Å²	9	68 Å²	68	6%	0.063	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.1	167.7	75.1	0	0	0	0	110.4	G356 Q357 L358 V382 T384	S354-G356 PolarHBondContact O-N 3.35Å; S354-Q357 WeakPolarHBondContact O-CB 3.1Å; S354-Q357 PolarHBondContact O-N 2.96Å; S354-Q357 VanDerWaalsContact O-N 3.1Å; S354-Q357 WeakPolarHBondContact OG-CG 3.36Å; S354-Q357 PolarHBondContact OG-N 2.76Å; S354-L358 PolarHBondContact O-N 3.41Å; S354-V382 PolarHBondContact OG-O 3.49Å; S354-T384 WeakPolarHBondContact CB-O 3.27Å
355	L	98.4	Very high	96.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.5	177.9	-65.8	-179.3	0	0	0	111.4	L338 Q357 L358 N359 F360 Y366 L380 F386 L400	L338-L355 HydrophobicContact CD1-CD2 4.12Å; L355-Q357 PolarHBondContact O-N 2.77Å; L355-L358 CarbonylContact O-C 3.58Å; L355-L358 WeakPolarHBondContact O-CA 3.37Å; L355-L358 PolarHBondContact O-N 3.3Å; L355-L358 VanDerWaalsContact O-N 3.09Å; L355-N359 PolarHBondContact O-N 2.89Å; L355-F360 HydrophobicContact CB-CB 3.96Å; L355-F360 HydrophobicContact CB-CD2 4.19Å; L355-F360 HydrophobicContact CB-CG 4.16Å; L355-F360 HydrophobicContact CD2-CD2 4.21Å; L355-F360 HydrophobicContact CD2-CE2 4.3Å; L355-F360 WeakPolarHBondContact O-CB 3.5Å; L355-F360 WeakPolarHBondContact O-CD2 3.26Å; L355-F360 PolarHBondContact O-N 2.93Å; L355-Y366 HydrophobicContact CD1-CD2 3.59Å; L355-Y366 HydrophobicContact CD1-CE2 4.25Å; L355-Y366 HydrophobicContact CD1-CG 4.03Å; L355-L380 HydrophobicContact CD1-CB 3.85Å; L355-F386 HydrophobicContact CD2-CE1 4.17Å; L355-F386 HydrophobicContact CG-CE1 4.3Å; L355-L400 HydrophobicContact CD1-CD1 4.29Å; L355-L400 HydrophobicContact CD1-CD2 4.12Å; L355-L400 HydrophobicContact CD2-CD1 4.41Å; L355-L400 HydrophobicContact CD2-CD2 3.69Å
356	G	97.8	Very high	96.9	Very high	30 Å²	30	62 Å²	62	31%	0.309	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-37.8	174.8	0	0	0	0	0	113.4	S354 L358 N359 V382	S354-G356 PolarHBondContact O-N 3.35Å; G356-L358 PolarHBondContact O-N 2.8Å; G356-N359 PolarHBondContact O-N 2.8Å; G356-V382 WeakPolarHBondContact CA-O 3.49Å; G356-V382 PolarHBondContact N-O 2.84Å
357	Q	97.8	Very high	96.9	Very high	112 Å²	112	59.2 Å²	59.2	52%	0.523	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.6	174	-71.2	175.7	-18.1	0	0	112.6	S353 S354 L355 N359	S353-Q357 VanDerWaalsContact CA-OE1 3.28Å; S353-Q357 PolarHBondContact OG-OE1 2.81Å; S354-Q357 WeakPolarHBondContact O-CB 3.1Å; S354-Q357 PolarHBondContact O-N 2.96Å; S354-Q357 VanDerWaalsContact O-N 3.1Å; S354-Q357 WeakPolarHBondContact OG-CG 3.36Å; S354-Q357 PolarHBondContact OG-N 2.76Å; L355-Q357 PolarHBondContact O-N 2.77Å; Q357-N359 VanDerWaalsContact C-N 3.29Å
358	L	97.8	Very high	96.9	Very high	7 Å²	7	53 Å²	53	4%	0.037	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	19.9	175.3	-56.6	179.2	0	0	0	112.9	I317 H318 V326 L338 F340 S354 L355 G356 F360 F386	I317-L358 HydrophobicContact CD1-CB 4.24Å; H318-L358 HydrophobicContact CB-CD2 4.47Å; V326-L358 HydrophobicContact CB-CD2 4.21Å; V326-L358 HydrophobicContact CG1-CD1 4.2Å; V326-L358 HydrophobicContact CG1-CD2 3.98Å; V326-L358 HydrophobicContact CG2-CD2 4.05Å; L338-L358 HydrophobicContact CD1-CD1 4.27Å; L338-L358 HydrophobicContact CD2-CD1 4.5Å; F340-L358 HydrophobicContact CE1-CD1 3.99Å; F340-L358 HydrophobicContact CZ-CD1 4.46Å; S354-L358 PolarHBondContact O-N 3.41Å; L355-L358 CarbonylContact O-C 3.58Å; L355-L358 WeakPolarHBondContact O-CA 3.37Å; L355-L358 PolarHBondContact O-N 3.3Å; L355-L358 VanDerWaalsContact O-N 3.09Å; G356-L358 PolarHBondContact O-N 2.8Å; L358-F360 VanDerWaalsContact C-N 3.27Å; L358-F360 HydrophobicContact CB-CD2 4.06Å; L358-F360 HydrophobicContact CB-CE2 4.23Å; L358-F360 PolarHBondContact O-N 2.78Å; L358-F386 HydrophobicContact CD1-CZ 4.17Å
359	N	96.4	Very high	96.9	Very high	126 Å²	126	53 Å²	53	67%	0.674	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	19.8	179	-60.5	-45.5	0	0	0	115.7	L355 G356 Q357	L355-N359 PolarHBondContact O-N 2.89Å; G356-N359 PolarHBondContact O-N 2.8Å; Q357-N359 VanDerWaalsContact C-N 3.29Å
360	F	96.4	Very high	96.9	Very high	27 Å²	27	50.6 Å²	50.6	12%	0.118	29%	0.291	C	S	.	.			trans	-72.3	139.5	163.3	-69.1	-103.7	0	0	0	109.2	M328 L338 L355 L358 Y366 V382 L400	M328-F360 HydrophobicContact CG-CZ 4.48Å; L338-F360 HydrophobicContact CD1-CE2 4.14Å; L338-F360 HydrophobicContact CD1-CZ 4.24Å; L338-F360 HydrophobicContact CD2-CE2 4.16Å; L338-F360 HydrophobicContact CD2-CZ 4.36Å; L338-F360 HydrophobicContact CG-CZ 4.49Å; L355-F360 HydrophobicContact CB-CB 3.96Å; L355-F360 HydrophobicContact CB-CD2 4.19Å; L355-F360 HydrophobicContact CB-CG 4.16Å; L355-F360 HydrophobicContact CD2-CD2 4.21Å; L355-F360 HydrophobicContact CD2-CE2 4.3Å; L355-F360 WeakPolarHBondContact O-CB 3.5Å; L355-F360 WeakPolarHBondContact O-CD2 3.26Å; L355-F360 PolarHBondContact O-N 2.93Å; L358-F360 VanDerWaalsContact C-N 3.27Å; L358-F360 HydrophobicContact CB-CD2 4.06Å; L358-F360 HydrophobicContact CB-CE2 4.23Å; L358-F360 PolarHBondContact O-N 2.78Å; F360-Y366 HydrophobicContact CD1-CE1 4.44Å; F360-V382 HydrophobicContact CB-CG1 4.29Å; F360-L400 HydrophobicContact CD1-CD2 4.24Å; F360-L400 HydrophobicContact CE1-CD2 3.54Å; F360-L400 HydrophobicContact CE2-CD2 4.33Å; F360-L400 HydrophobicContact CZ-CD2 3.59Å
361	T	93.6	Very high	96.9	Very high	113 Å²	113	46 Å²	46	69%	0.693	27%	0.27	S	S	*	.			trans	-128.9	169.2	-176	60.4	0	0	0	0	111.4
362	G	90.4	Very high	96.9	Very high	55 Å²	55	48 Å²	48	57%	0.567	28%	0.279	S	S	*	.	S	Bend	trans	85	-171.3	178.9	0	0	0	0	0	113.9
363	S	90.4	Very high	96.9	Very high	121 Å²	121	45.3 Å²	45.3	85%	0.846	27%	0.273	S	S	*	.	S	Bend	trans	-105.4	21.1	-174.9	55.6	0	0	0	0	113.4
364	V	94.4	Very high	96.9	Very high	56 Å²	56	46.9 Å²	46.9	34%	0.339	29%	0.29	S	S	.	.			trans	-70.5	136.3	179.9	-178.9	0	0	0	0	109.5	Y366 P402	V364-Y366 HydrophobicContact CB-CD2 4.33Å; V364-Y366 HydrophobicContact CB-CE1 4.43Å; V364-Y366 HydrophobicContact CB-CE2 3.6Å; V364-Y366 HydrophobicContact CG1-CD1 4.18Å; V364-Y366 HydrophobicContact CG1-CD2 4.07Å; V364-Y366 HydrophobicContact CG1-CE1 3.78Å; V364-Y366 HydrophobicContact CG1-CE2 3.67Å; V364-Y366 HydrophobicContact CG1-CG 4.31Å; V364-Y366 WeakPolarHBondContact O-CE2 3.2Å; V364-P402 HydrophobicContact CG1-CB 3.86Å; V364-P402 HydrophobicContact CG1-CG 4.21Å
365	T	96.7	Very high	96.9	Very high	40 Å²	40	51.4 Å²	51.4	25%	0.245	31%	0.313	C	S	.	.			trans	-99	128.8	167.5	-53.2	0	0	0	0	108.6	R381 I403	T365-R381 HydrophobicContact CG2-CG 4.27Å; T365-I403 HydrophobicContact CG2-CD1 3.87Å; T365-I403 PolarHBondContact O-N 2.99Å
366	Y	97.8	Very high	96.9	Very high	24 Å²	24	55.6 Å²	55.6	9%	0.094	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	157.5	-176.1	-59.9	-93.9	0	0	0	111.1	L355 F360 V364 G379 L380 L400 Y401 P402	L355-Y366 HydrophobicContact CD1-CD2 3.59Å; L355-Y366 HydrophobicContact CD1-CE2 4.25Å; L355-Y366 HydrophobicContact CD1-CG 4.03Å; F360-Y366 HydrophobicContact CD1-CE1 4.44Å; V364-Y366 HydrophobicContact CB-CD2 4.33Å; V364-Y366 HydrophobicContact CB-CE1 4.43Å; V364-Y366 HydrophobicContact CB-CE2 3.6Å; V364-Y366 HydrophobicContact CG1-CD1 4.18Å; V364-Y366 HydrophobicContact CG1-CD2 4.07Å; V364-Y366 HydrophobicContact CG1-CE1 3.78Å; V364-Y366 HydrophobicContact CG1-CE2 3.67Å; V364-Y366 HydrophobicContact CG1-CG 4.31Å; V364-Y366 WeakPolarHBondContact O-CE2 3.2Å; Y366-G379 PolarHBondContact O-N 3.28Å; Y366-L380 PolarHBondContact N-O 2.84Å; Y366-L380 PolarHBondContact O-N 3.43Å; Y366-L400 HydrophobicContact CD1-CD1 4.49Å; Y366-L400 HydrophobicContact CD1-CD2 4.18Å; Y366-L400 HydrophobicContact CD1-CG 3.99Å; Y366-L400 HydrophobicContact CG-CD1 4.27Å; Y366-L400 HydrophobicContact CG-CD2 4.39Å; Y366-L400 HydrophobicContact CG-CG 4.23Å; Y366-Y401 CarbonylContact C-O 3.58Å; Y366-Y401 VanDerWaalsContact CA-O 3.28Å; Y366-Y401 WeakPolarHBondContact CA-O 3.33Å; Y366-P402 HydrophobicContact CD1-CG 4.4Å; Y366-P402 HydrophobicContact CE1-CG 4.19Å
367	E	98.3	Very high	96.9	Very high	28 Å²	28	56.6 Å²	56.6	13%	0.131	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.4	163.6	-177	159.6	110.8	0	0	107.9	I376 I377 S378 L400 Y401 I403	E367-I376 HydrophobicContact CG-CG2 3.54Å; E367-I376 WeakPolarHBondContact OE1-CG2 3.31Å; E367-I377 CarbonylContact C-O 3.52Å; E367-I377 WeakPolarHBondContact CA-O 3.42Å; E367-S378 WeakPolarHBondContact OE2-CB 3.24Å; E367-S378 PolarHBondContact OE2-OG 2.77Å; E367-L400 WeakPolarHBondContact O-CA 3.48Å; E367-Y401 HydrophobicContact CB-CD2 4.5Å; E367-Y401 HydrophobicContact CB-CE2 3.92Å; E367-Y401 HydrophobicContact CG-CE2 4.33Å; E367-Y401 PolarHBondContact N-O 3.23Å; E367-Y401 WeakPolarHBondContact O-CD1 3.44Å; E367-Y401 PolarHBondContact O-N 2.88Å; E367-Y401 PolarHBondContact OE1-OH 3.24Å; E367-I403 HydrophobicContact CB-CD1 4.39Å; E367-I403 HydrophobicContact CB-CG1 3.76Å
368	A	98.6	Very high	96.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.9	174.8	0	0	0	0	0	109.9	I376 I377 L380 W398 Y399 L400	A368-I376 CarbonylContact O-C 3.59Å; A368-I376 WeakPolarHBondContact O-CA 3.37Å; A368-I377 HydrophobicContact CB-CB 4.32Å; A368-I377 HydrophobicContact CB-CD1 4.33Å; A368-I377 PolarHBondContact N-O 2.93Å; A368-I377 PolarHBondContact O-N 2.99Å; A368-L380 HydrophobicContact CB-CD1 3.89Å; A368-W398 HydrophobicContact CB-CB 4.15Å; A368-W398 HydrophobicContact CB-CD2 3.82Å; A368-W398 HydrophobicContact CB-CE3 3.79Å; A368-W398 HydrophobicContact CB-CG 4.01Å; A368-W398 HydrophobicContact CB-CZ3 4.43Å; A368-Y399 CarbonylContact C-O 3.59Å; A368-Y399 VanDerWaalsContact CA-O 3.3Å; A368-Y399 WeakPolarHBondContact CA-O 3.08Å; A368-L400 HydrophobicContact CB-CD1 3.85Å
369	Q	98.8	Very high	96.8	Very high	61 Å²	61	56 Å²	56	29%	0.285	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.6	164.1	-177.9	172.2	8.3	0	0	108.8	L301 V371 D375 I376 W398 Y399	L301-Q369 HydrophobicContact CD2-CB 4.22Å; L301-Q369 HydrophobicContact CD2-CG 3.87Å; Q369-V371 PolarHBondContact O-N 2.63Å; Q369-D375 CarbonylContact C-O 3.59Å; Q369-D375 WeakPolarHBondContact CA-O 3.48Å; Q369-I376 HydrophobicContact CB-CD1 3.65Å; Q369-I376 HydrophobicContact CG-CD1 3.67Å; Q369-W398 CarbonylContact O-C 3.5Å; Q369-W398 WeakPolarHBondContact O-CA 3.48Å; Q369-Y399 PolarHBondContact N-O 2.88Å; Q369-Y399 PolarHBondContact O-N 2.8Å
370	D	98.8	Very high	96.8	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.4	167.4	-170.8	-61.1	0	0	0	109.1	Y372 S373 G374 D375 V396 M397	D370-Y372 VanDerWaalsContact C-N 3.29Å; D370-Y372 PolarHBondContact O-N 2.87Å; D370-Y372 PolarHBondContact OD1-N 3.01Å; D370-S373 VanDerWaalsContact CB-OG 3.32Å; D370-S373 WeakPolarHBondContact CB-OG 3.07Å; D370-S373 PolarHBondContact OD1-N 3.41Å; D370-G374 WeakPolarHBondContact O-CA 3.09Å; D370-G374 PolarHBondContact O-N 2.89Å; D370-D375 PolarHBondContact N-O 2.78Å; D370-V396 WeakPolarHBondContact OD2-CG1 3.4Å; D370-M397 WeakPolarHBondContact CA-O 3.13Å
371	V	98.8	Very high	96.9	Very high	6 Å²	6	54.9 Å²	54.9	4%	0.036	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.2	-172.6	179.4	0	0	0	0	111.6	N299 L301 M302 I305 Q369 M397	N299-V371 PolarHBondContact ND2-O 3.02Å; L301-V371 HydrophobicContact CB-CG1 4.33Å; L301-V371 HydrophobicContact CD2-CB 4.48Å; L301-V371 HydrophobicContact CD2-CG2 3.98Å; L301-V371 HydrophobicContact CG-CG1 4.35Å; L301-V371 HydrophobicContact CG-CG2 4.2Å; M302-V371 HydrophobicContact CB-CG1 3.98Å; M302-V371 HydrophobicContact CE-CG1 3.82Å; M302-V371 HydrophobicContact SD-CG1 4.38Å; I305-V371 HydrophobicContact CD1-CG2 3.9Å; Q369-V371 PolarHBondContact O-N 2.63Å; V371-M397 HydrophobicContact CB-CB 4.23Å; V371-M397 HydrophobicContact CB-CG 4.17Å; V371-M397 HydrophobicContact CB-SD 4.41Å; V371-M397 HydrophobicContact CG1-SD 4.48Å; V371-M397 HydrophobicContact CG2-CB 4.27Å; V371-M397 HydrophobicContact CG2-CG 3.78Å; V371-M397 HydrophobicContact CG2-SD 4.23Å; V371-M397 PolarHBondContact N-O 2.91Å
372	Y	98.6	Very high	97	Very high	46 Å²	46	51 Å²	51	18%	0.18	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-41.7	-178.6	-74.6	-61.3	0	0	0	113.2	R267 I296 M302 D370 V395	R267-Y372 VanDerWaalsContact C-OH 3.3Å; R267-Y372 WeakPolarHBondContact CA-OH 3.35Å; R267-Y372 HydrophobicContact CB-CE1 4.17Å; R267-Y372 HydrophobicContact CB-CE2 3.83Å; R267-Y372 HydrophobicContact CG-CD1 4.25Å; R267-Y372 HydrophobicContact CG-CE1 3.76Å; R267-Y372 HydrophobicContact CG-CE2 4.2Å; R267-Y372 PolarHBondContact O-OH 2.7Å; I296-Y372 HydrophobicContact CG2-CE1 4.44Å; M302-Y372 HydrophobicContact CE-CE1 4.01Å; M302-Y372 HydrophobicContact CE-CE2 3.99Å; M302-Y372 VanDerWaalsContact CE-CZ 3.49Å; M302-Y372 VanDerWaalsContact CE-OH 3.23Å; M302-Y372 WeakPolarHBondContact CE-OH 3.37Å; D370-Y372 VanDerWaalsContact C-N 3.29Å; D370-Y372 PolarHBondContact O-N 2.87Å; D370-Y372 PolarHBondContact OD1-N 3.01Å; Y372-V395 HydrophobicContact CE2-CG2 3.86Å
373	S	98.1	Very high	97.4	Very high	66 Å²	66	54.1 Å²	54.1	46%	0.462	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-23.5	-179.6	75.3	0	0	0	0	113.4	D370 D375	D370-S373 VanDerWaalsContact CB-OG 3.32Å; D370-S373 WeakPolarHBondContact CB-OG 3.07Å; D370-S373 PolarHBondContact OD1-N 3.41Å; S373-D375 WeakPolarHBondContact CB-OD2 3.46Å; S373-D375 PolarHBondContact O-N 2.91Å; S373-D375 WeakPolarHBondContact OG-CB 3.17Å; S373-D375 PolarHBondContact OG-N 3.39Å; S373-D375 PolarHBondContact OG-OD2 2.8Å
374	G	97.9	Very high	97.7	Very high	35 Å²	35	50.6 Å²	50.6	36%	0.361	28%	0.282	S	S	.	.			trans	78.7	-0.1	-172.7	0	0	0	0	0	114	D370	D370-G374 WeakPolarHBondContact O-CA 3.09Å; D370-G374 PolarHBondContact O-N 2.89Å
375	D	98.4	Very high	97.9	Very high	104 Å²	104	54.1 Å²	54.1	56%	0.556	30%	0.299	S	S	*	.			trans	-65.6	143.5	-179.3	-64.2	-41.9	0	0	0	111.4	Q369 D370 S373	Q369-D375 CarbonylContact C-O 3.59Å; Q369-D375 WeakPolarHBondContact CA-O 3.48Å; D370-D375 PolarHBondContact N-O 2.78Å; S373-D375 WeakPolarHBondContact CB-OD2 3.46Å; S373-D375 PolarHBondContact O-N 2.91Å; S373-D375 WeakPolarHBondContact OG-CB 3.17Å; S373-D375 PolarHBondContact OG-N 3.39Å; S373-D375 PolarHBondContact OG-OD2 2.8Å
376	I	98.4	Very high	98	Very high	87 Å²	87	53 Å²	53	45%	0.446	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.3	179.3	-58.2	-62.7	0	0	0	110.2	E367 A368 Q369	E367-I376 HydrophobicContact CG-CG2 3.54Å; E367-I376 WeakPolarHBondContact OE1-CG2 3.31Å; A368-I376 CarbonylContact O-C 3.59Å; A368-I376 WeakPolarHBondContact O-CA 3.37Å; Q369-I376 HydrophobicContact CB-CD1 3.65Å; Q369-I376 HydrophobicContact CG-CD1 3.67Å
377	I	98.1	Very high	98	Very high	51 Å²	51	55.3 Å²	55.3	26%	0.262	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	102.8	174.4	-51.8	90.3	0	0	0	108.2	E367 A368 L380 W398	E367-I377 CarbonylContact C-O 3.52Å; E367-I377 WeakPolarHBondContact CA-O 3.42Å; A368-I377 HydrophobicContact CB-CB 4.32Å; A368-I377 HydrophobicContact CB-CD1 4.33Å; A368-I377 PolarHBondContact N-O 2.93Å; A368-I377 PolarHBondContact O-N 2.99Å; I377-L380 HydrophobicContact CB-CD1 4.45Å; I377-L380 HydrophobicContact CG2-CD1 4.06Å; I377-L380 HydrophobicContact CG2-CD2 3.95Å; I377-L380 HydrophobicContact CG2-CG 4.08Å; I377-W398 HydrophobicContact CD1-CZ2 4.07Å; I377-W398 HydrophobicContact CG1-CZ2 4.21Å
378	S	96.8	Very high	98	Very high	71 Å²	71	54.4 Å²	54.4	50%	0.497	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	160.9	-175.7	-159.6	0	0	0	0	112.9	E367	E367-S378 WeakPolarHBondContact OE2-CB 3.24Å; E367-S378 PolarHBondContact OE2-OG 2.77Å
379	G	96.4	Very high	98	Very high	35 Å²	35	58.8 Å²	58.8	36%	0.361	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.6	24.5	171.5	0	0	0	0	0	115.3	Y366 R381	Y366-G379 PolarHBondContact O-N 3.28Å; G379-R381 PolarHBondContact O-N 3.18Å
380	L	97.9	Very high	98	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.1	180	-65.3	172.3	0	0	0	110.7	L355 Y366 A368 I377 T384 F386 W398 L400	L355-L380 HydrophobicContact CD1-CB 3.85Å; Y366-L380 PolarHBondContact N-O 2.84Å; Y366-L380 PolarHBondContact O-N 3.43Å; A368-L380 HydrophobicContact CB-CD1 3.89Å; I377-L380 HydrophobicContact CB-CD1 4.45Å; I377-L380 HydrophobicContact CG2-CD1 4.06Å; I377-L380 HydrophobicContact CG2-CD2 3.95Å; I377-L380 HydrophobicContact CG2-CG 4.08Å; L380-T384 HydrophobicContact CD2-CG2 4.23Å; L380-F386 HydrophobicContact CD2-CB 4.46Å; L380-F386 HydrophobicContact CD2-CD1 4.29Å; L380-W398 HydrophobicContact CD1-CE3 4.5Å; L380-W398 HydrophobicContact CD1-CH2 4.48Å; L380-W398 HydrophobicContact CD1-CZ3 3.95Å; L380-L400 HydrophobicContact CD1-CD1 3.92Å
381	R	97.4	Very high	98	Very high	126 Å²	126	57.6 Å²	57.6	48%	0.475	32%	0.321	S	S	.	.			trans	-106.2	171.5	168.4	-60.1	-176.2	176	-164.2	1	110.2	T365 G379 E383 T384	T365-R381 HydrophobicContact CG2-CG 4.27Å; G379-R381 PolarHBondContact O-N 3.18Å; R381-E383 HydrophobicContact CB-CG 4.42Å; R381-E383 WeakPolarHBondContact CB-OE2 3.41Å; R381-E383 WeakPolarHBondContact CD-OE1 3.25Å; R381-E383 PolarHBondContact O-N 3.01Å; R381-T384 WeakPolarHBondContact CB-OG1 3.04Å; R381-T384 PolarHBondContact N-OG1 3.1Å; R381-T384 WeakPolarHBondContact O-CB 3.33Å; R381-T384 PolarHBondContact O-N 3.47Å; R381-T384 VanDerWaalsContact O-N 3.08Å
382	V	97.1	Very high	98	Very high	31 Å²	31	58.6 Å²	58.6	19%	0.188	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31	-179.7	-63.7	0	0	0	0	112.4	S354 G356 F360	S354-V382 PolarHBondContact OG-O 3.49Å; G356-V382 WeakPolarHBondContact CA-O 3.49Å; G356-V382 PolarHBondContact N-O 2.84Å; F360-V382 HydrophobicContact CB-CG1 4.29Å
383	E	96.9	Very high	98	Very high	122 Å²	122	57.4 Å²	57.4	57%	0.57	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.7	177	65.7	-86.3	-160.4	0	0	114.5	R381 N385	R381-E383 HydrophobicContact CB-CG 4.42Å; R381-E383 WeakPolarHBondContact CB-OE2 3.41Å; R381-E383 WeakPolarHBondContact CD-OE1 3.25Å; R381-E383 PolarHBondContact O-N 3.01Å; E383-N385 PolarHBondContact O-N 3.37Å
384	T	97.8	Very high	98.1	Very high	46 Å²	46	54.2 Å²	54.2	28%	0.282	30%	0.304	S	S	.	.			trans	-73.9	115.4	-177.9	-56.2	0	0	0	0	110	S354 L380 R381	S354-T384 WeakPolarHBondContact CB-O 3.27Å; L380-T384 HydrophobicContact CD2-CG2 4.23Å; R381-T384 WeakPolarHBondContact CB-OG1 3.04Å; R381-T384 PolarHBondContact N-OG1 3.1Å; R381-T384 WeakPolarHBondContact O-CB 3.33Å; R381-T384 PolarHBondContact O-N 3.47Å; R381-T384 VanDerWaalsContact O-N 3.08Å
385	N	98.2	Very high	98.1	Very high	131 Å²	131	53.1 Å²	53.1	70%	0.701	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.8	171.3	-68.5	-23.3	0	0	0	110.3	S353 E383	S353-N385 WeakPolarHBondContact O-CA 3.48Å; E383-N385 PolarHBondContact O-N 3.37Å
386	F	98.5	Very high	98.2	Very high	17 Å²	17	49 Å²	49	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	165.3	172.8	61.3	-101.9	0	0	0	110.8	F340 H352 S353 L355 L358 L380 V388 W398	F340-F386 HydrophobicContact CE1-CE2 4Å; F340-F386 HydrophobicContact CE1-CZ 4.17Å; F340-F386 AromaticContact CZ-CE2 3.9Å; F340-F386 HydrophobicContact CZ-CE2 3.9Å; F340-F386 HydrophobicContact CZ-CZ 4.06Å; H352-F386 WeakPolarHBondContact CA-O 3.43Å; S353-F386 PolarHBondContact N-O 2.53Å; S353-F386 VanDerWaalsContact N-O 3.08Å; S353-F386 PolarHBondContact O-N 2.04Å; L355-F386 HydrophobicContact CD2-CE1 4.17Å; L355-F386 HydrophobicContact CG-CE1 4.3Å; L358-F386 HydrophobicContact CD1-CZ 4.17Å; L380-F386 HydrophobicContact CD2-CB 4.46Å; L380-F386 HydrophobicContact CD2-CD1 4.29Å; F386-V388 HydrophobicContact CD2-CG1 4.28Å; F386-W398 HydrophobicContact CB-CH2 4.22Å; F386-W398 HydrophobicContact CD1-CH2 4.28Å; F386-W398 HydrophobicContact CD1-CZ3 4.24Å; F386-W398 AromaticContact CD2-CH2 3.59Å; F386-W398 HydrophobicContact CD2-CH2 3.59Å; F386-W398 HydrophobicContact CD2-CZ3 4.06Å; F386-W398 HydrophobicContact CE1-CZ3 4.17Å; F386-W398 AromaticContact CE2-CH2 3.95Å; F386-W398 HydrophobicContact CE2-CH2 3.95Å; F386-W398 HydrophobicContact CE2-CZ3 4Å; F386-W398 AromaticContact CG-CH2 3.78Å; F386-W398 HydrophobicContact CG-CH2 3.78Å; F386-W398 HydrophobicContact CG-CZ3 4.18Å; F386-W398 HydrophobicContact CZ-CH2 4.42Å; F386-W398 HydrophobicContact CZ-CZ3 4.06Å
387	T	98.7	Very high	98.2	Very high	72 Å²	72	44.8 Å²	44.8	44%	0.442	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.2	174	-53	0	0	0	0	109.6	H350 Y351 H352	H350-T387 HydrophobicContact CB-CG2 3.98Å; Y351-T387 VanDerWaalsContact O-CA 3.26Å; Y351-T387 WeakPolarHBondContact O-CA 3.49Å; H352-T387 PolarHBondContact CE1-OG1 2.92Å; H352-T387 PolarHBondContact ND1-OG1 3.43Å
388	V	98.5	Very high	98.2	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.2	169.8	-63.6	0	0	0	0	109.5	F340 Y351 F386 I390 V396 W398	F340-V388 HydrophobicContact CB-CG2 4.16Å; F340-V388 HydrophobicContact CD1-CG2 4.22Å; F340-V388 HydrophobicContact CD2-CG1 4.41Å; F340-V388 HydrophobicContact CD2-CG2 4.14Å; F340-V388 HydrophobicContact CE2-CG1 4.32Å; F340-V388 HydrophobicContact CG-CG2 3.92Å; Y351-V388 HydrophobicContact CD1-CG2 3.87Å; Y351-V388 HydrophobicContact CG-CG2 4.35Å; Y351-V388 PolarHBondContact N-O 3.23Å; Y351-V388 PolarHBondContact O-N 3.13Å; F386-V388 HydrophobicContact CD2-CG1 4.28Å; V388-I390 HydrophobicContact CG2-CD1 4.02Å; V388-I390 HydrophobicContact CG2-CG1 3.97Å; V388-V396 HydrophobicContact CB-CB 4.38Å; V388-V396 HydrophobicContact CB-CG1 4.19Å; V388-V396 HydrophobicContact CB-CG2 4.33Å; V388-V396 HydrophobicContact CG1-CG1 4.11Å; V388-W398 HydrophobicContact CG1-CH2 3.94Å; V388-W398 HydrophobicContact CG1-CZ2 3.36Å
389	I	98.8	Very high	98.3	Very high	93 Å²	93	40.9 Å²	40.9	48%	0.477	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.4	178.6	-57.1	175.6	0	0	0	107.7	P348 Y349 V396	P348-I389 HydrophobicContact CB-CG2 3.86Å; Y349-I389 WeakPolarHBondContact O-CA 3.34Å; I389-V396 VanDerWaalsContact O-CG2 3.24Å; I389-V396 WeakPolarHBondContact O-CG2 3.22Å
390	I	98.8	Very high	98.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121	-173.7	-42.6	164.8	0	0	0	109.1	I324 F340 P348 Y349 Y351 V388 G394 V396	I324-I390 HydrophobicContact CD1-CD1 4.06Å; I324-I390 HydrophobicContact CG2-CD1 3.86Å; F340-I390 HydrophobicContact CB-CD1 3.56Å; F340-I390 HydrophobicContact CB-CG1 4.25Å; P348-I390 WeakPolarHBondContact CA-O 3.22Å; Y349-I390 PolarHBondContact N-O 3.11Å; Y349-I390 PolarHBondContact O-N 3.05Å; Y351-I390 HydrophobicContact CG-CD1 4.36Å; V388-I390 HydrophobicContact CG2-CD1 4.02Å; V388-I390 HydrophobicContact CG2-CG1 3.97Å; I390-G394 WeakPolarHBondContact CG2-O 3.43Å; I390-V396 HydrophobicContact CG1-CG2 4.12Å
391	N	98.9	Very high	98.4	Very high	58 Å²	58	40 Å²	40	31%	0.31	21%	0.205	S	C	.	.			trans	-69.3	153.6	175.9	-70.3	-24.1	0	0	0	111.5	E264 S342 P348 S393 G394	E264-N391 VanDerWaalsContact CD-ND2 3.34Å; E264-N391 HydrophobicContact CG-CB 3.97Å; E264-N391 PolarHBondContact OE1-ND2 3.36Å; S342-N391 VanDerWaalsContact CB-O 3.29Å; S342-N391 WeakPolarHBondContact CB-O 3.02Å; P348-N391 WeakPolarHBondContact CG-OD1 3.39Å; N391-S393 PolarHBondContact O-N 2.89Å; N391-G394 WeakPolarHBondContact O-CA 3.49Å; N391-G394 PolarHBondContact O-N 2.74Å
392	P	98.8	Very high	98.3	Very high	28 Å²	28	34.6 Å²	34.6	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	134.5	174.6	-25.1	35.4	0	0	0	111.9	R344 G394	R344-P392 WeakPolarHBondContact O-CA 3.01Å; R344-P392 WeakPolarHBondContact O-CB 3.44Å; P392-G394 PolarHBondContact O-N 2.88Å
393	S	98.6	Very high	98	Very high	20 Å²	20	35.1 Å²	35.1	14%	0.14	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	18.9	-173.4	62.9	0	0	0	0	115.2	E264 Q265 S342 R344 N391	E264-S393 CarbonylContact C-O 3.5Å; Q265-S393 PolarHBondContact NE2-OG 2.93Å; S342-S393 VanDerWaalsContact O-CA 3.28Å; S342-S393 WeakPolarHBondContact O-CA 3.25Å; S342-S393 PolarHBondContact O-N 3.19Å; S342-S393 VanDerWaalsContact O-N 3.09Å; R344-S393 PolarHBondContact O-N 3.49Å; N391-S393 PolarHBondContact O-N 2.89Å
394	G	98.8	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.			trans	-114.6	-179.5	-179.8	0	0	0	0	0	112.7	E264 F341 S342 I390 N391 P392	E264-G394 WeakPolarHBondContact OE2-CA 3.39Å; F341-G394 WeakPolarHBondContact CD2-O 3.44Å; S342-G394 PolarHBondContact N-O 2.93Å; S342-G394 VanDerWaalsContact N-O 3.09Å; I390-G394 WeakPolarHBondContact CG2-O 3.43Å; N391-G394 WeakPolarHBondContact O-CA 3.49Å; N391-G394 PolarHBondContact O-N 2.74Å; P392-G394 PolarHBondContact O-N 2.88Å
395	V	98.9	Very high	96.1	Very high	12 Å²	12	36 Å²	36	7%	0.073	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.8	-177.4	-67.4	0	0	0	0	112	R267 A268 A271 V339 F340 F341 Y372	R267-V395 HydrophobicContact CB-CG2 4.34Å; A268-V395 HydrophobicContact CB-CG1 3.75Å; A268-V395 HydrophobicContact CB-CG2 4.4Å; A271-V395 HydrophobicContact CB-CG2 3.92Å; V339-V395 HydrophobicContact CG1-CB 3.97Å; V339-V395 HydrophobicContact CG1-CG1 3.63Å; F340-V395 CarbonylContact O-C 3.4Å; F340-V395 VanDerWaalsContact O-CA 3.25Å; F340-V395 WeakPolarHBondContact O-CA 3.19Å; F341-V395 HydrophobicContact CB-CG1 4.05Å; F341-V395 HydrophobicContact CD2-CG1 3.72Å; F341-V395 HydrophobicContact CG-CG1 4.28Å; Y372-V395 HydrophobicContact CE2-CG2 3.86Å
396	V	98.9	Very high	94.7	Very high	16 Å²	16	33.7 Å²	33.7	10%	0.097	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.9	152.5	172.7	0	0	0	0	106.7	F340 D370 V388 I389 I390	F340-V396 HydrophobicContact CB-CB 4.4Å; F340-V396 HydrophobicContact CD2-CB 4.16Å; F340-V396 HydrophobicContact CD2-CG1 4.1Å; F340-V396 WeakPolarHBondContact CD2-O 3.45Å; F340-V396 PolarHBondContact N-O 2.81Å; F340-V396 PolarHBondContact O-N 2.95Å; D370-V396 WeakPolarHBondContact OD2-CG1 3.4Å; V388-V396 HydrophobicContact CB-CB 4.38Å; V388-V396 HydrophobicContact CB-CG1 4.19Å; V388-V396 HydrophobicContact CB-CG2 4.33Å; V388-V396 HydrophobicContact CG1-CG1 4.11Å; I389-V396 VanDerWaalsContact O-CG2 3.24Å; I389-V396 WeakPolarHBondContact O-CG2 3.22Å; I390-V396 HydrophobicContact CG1-CG2 4.12Å
397	M	98.9	Very high	93	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.4	-179.2	-177	175	-178.7	0	0	110.6	A271 T274 M302 I305 A337 L338 V339 D370 V371	A271-M397 HydrophobicContact CB-CB 4.45Å; A271-M397 HydrophobicContact CB-SD 3.63Å; T274-M397 HydrophobicContact CG2-CE 3.89Å; M302-M397 HydrophobicContact CE-SD 3.52Å; M302-M397 VanDerWaalsContact CE-SD 3.52Å; M302-M397 HydrophobicContact SD-CE 3.85Å; M302-M397 HydrophobicContact SD-SD 3.46Å; I305-M397 HydrophobicContact CD1-CE 3.76Å; I305-M397 HydrophobicContact CG2-CE 4.01Å; A337-M397 HydrophobicContact CB-CE 3.87Å; L338-M397 CarbonylContact O-C 3.37Å; L338-M397 VanDerWaalsContact O-CA 3.3Å; L338-M397 WeakPolarHBondContact O-CA 3.08Å; V339-M397 HydrophobicContact CG2-CB 4.42Å; V339-M397 HydrophobicContact CG2-CE 4.26Å; V339-M397 HydrophobicContact CG2-CG 3.88Å; V339-M397 HydrophobicContact CG2-SD 4.02Å; D370-M397 WeakPolarHBondContact CA-O 3.13Å; V371-M397 HydrophobicContact CB-CB 4.23Å; V371-M397 HydrophobicContact CB-CG 4.17Å; V371-M397 HydrophobicContact CB-SD 4.41Å; V371-M397 HydrophobicContact CG1-SD 4.48Å; V371-M397 HydrophobicContact CG2-CB 4.27Å; V371-M397 HydrophobicContact CG2-CG 3.78Å; V371-M397 HydrophobicContact CG2-SD 4.23Å; V371-M397 PolarHBondContact N-O 2.91Å
398	W	98.9	Very high	91.2	Very high	8 Å²	8	41.3 Å²	41.3	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.9	178.5	-72.6	-2.8	0	0	0	111.4	A337 L338 F340 A368 Q369 I377 L380 F386 V388	A337-W398 CarbonylContact C-O 3.44Å; A337-W398 VanDerWaalsContact CA-O 3.31Å; A337-W398 WeakPolarHBondContact CA-O 3.47Å; L338-W398 HydrophobicContact CB-CB 4.41Å; L338-W398 PolarHBondContact N-O 2.98Å; L338-W398 PolarHBondContact O-N 2.03Å; F340-W398 AromaticContact CE2-CD2 3.76Å; F340-W398 HydrophobicContact CE2-CD2 3.76Å; F340-W398 AromaticContact CE2-CE3 3.88Å; F340-W398 HydrophobicContact CE2-CE3 3.88Å; F340-W398 HydrophobicContact CE2-CG 4.06Å; F340-W398 HydrophobicContact CE2-CZ3 4.4Å; F340-W398 HydrophobicContact CZ-CD2 4.36Å; F340-W398 HydrophobicContact CZ-CE3 4Å; F340-W398 HydrophobicContact CZ-CZ3 4.23Å; A368-W398 HydrophobicContact CB-CB 4.15Å; A368-W398 HydrophobicContact CB-CD2 3.82Å; A368-W398 HydrophobicContact CB-CE3 3.79Å; A368-W398 HydrophobicContact CB-CG 4.01Å; A368-W398 HydrophobicContact CB-CZ3 4.43Å; Q369-W398 CarbonylContact O-C 3.5Å; Q369-W398 WeakPolarHBondContact O-CA 3.48Å; I377-W398 HydrophobicContact CD1-CZ2 4.07Å; I377-W398 HydrophobicContact CG1-CZ2 4.21Å; L380-W398 HydrophobicContact CD1-CE3 4.5Å; L380-W398 HydrophobicContact CD1-CH2 4.48Å; L380-W398 HydrophobicContact CD1-CZ3 3.95Å; F386-W398 HydrophobicContact CB-CH2 4.22Å; F386-W398 HydrophobicContact CD1-CH2 4.28Å; F386-W398 HydrophobicContact CD1-CZ3 4.24Å; F386-W398 AromaticContact CD2-CH2 3.59Å; F386-W398 HydrophobicContact CD2-CH2 3.59Å; F386-W398 HydrophobicContact CD2-CZ3 4.06Å; F386-W398 HydrophobicContact CE1-CZ3 4.17Å; F386-W398 AromaticContact CE2-CH2 3.95Å; F386-W398 HydrophobicContact CE2-CH2 3.95Å; F386-W398 HydrophobicContact CE2-CZ3 4Å; F386-W398 AromaticContact CG-CH2 3.78Å; F386-W398 HydrophobicContact CG-CH2 3.78Å; F386-W398 HydrophobicContact CG-CZ3 4.18Å; F386-W398 HydrophobicContact CZ-CH2 4.42Å; F386-W398 HydrophobicContact CZ-CZ3 4.06Å; V388-W398 HydrophobicContact CG1-CH2 3.94Å; V388-W398 HydrophobicContact CG1-CZ2 3.36Å
399	Y	98.9	Very high	89.6	Confident	31 Å²	31	45.3 Å²	45.3	12%	0.122	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.2	156	178	-116.6	0	0	0	108.4	L301 I305 L331 A335 A368 Q369 Y401	L301-Y399 HydrophobicContact CD1-CD1 4.09Å; L301-Y399 HydrophobicContact CD1-CG 4.01Å; I305-Y399 HydrophobicContact CD1-CD2 4.2Å; I305-Y399 HydrophobicContact CG1-CD2 4.09Å; L331-Y399 HydrophobicContact CD1-CD2 3.74Å; L331-Y399 HydrophobicContact CD1-CE2 3.65Å; A335-Y399 HydrophobicContact CB-CE2 3.6Å; A368-Y399 CarbonylContact C-O 3.59Å; A368-Y399 VanDerWaalsContact CA-O 3.3Å; A368-Y399 WeakPolarHBondContact CA-O 3.08Å; Q369-Y399 PolarHBondContact N-O 2.88Å; Q369-Y399 PolarHBondContact O-N 2.8Å; Y399-Y401 AromaticContact CD1-CD1 3.45Å; Y399-Y401 HydrophobicContact CD1-CD1 3.45Å; Y399-Y401 VanDerWaalsContact CD1-CD1 3.45Å; Y399-Y401 AromaticContact CD1-CE1 3.78Å; Y399-Y401 HydrophobicContact CD1-CE1 3.78Å; Y399-Y401 AromaticContact CE1-CD1 3.39Å; Y399-Y401 HydrophobicContact CE1-CD1 3.39Å; Y399-Y401 AromaticContact CE1-CE1 3.93Å; Y399-Y401 HydrophobicContact CE1-CE1 3.93Å; Y399-Y401 HydrophobicContact CE1-CG 4.07Å; Y399-Y401 HydrophobicContact CG-CD1 4.37Å
400	L	98.6	Very high	87.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.9	-176.2	-174.4	75.9	0	0	0	110.2	A335 S336 L338 L355 F360 Y366 E367 A368 L380	A335-L400 CarbonylContact C-O 3.6Å; A335-L400 VanDerWaalsContact CA-O 3.26Å; A335-L400 WeakPolarHBondContact CA-O 3.42Å; A335-L400 WeakPolarHBondContact CB-O 3.43Å; S336-L400 PolarHBondContact N-O 3.22Å; S336-L400 PolarHBondContact O-N 3.05Å; L338-L400 HydrophobicContact CD1-CD2 4.02Å; L355-L400 HydrophobicContact CD1-CD1 4.29Å; L355-L400 HydrophobicContact CD1-CD2 4.12Å; L355-L400 HydrophobicContact CD2-CD1 4.41Å; L355-L400 HydrophobicContact CD2-CD2 3.69Å; F360-L400 HydrophobicContact CD1-CD2 4.24Å; F360-L400 HydrophobicContact CE1-CD2 3.54Å; F360-L400 HydrophobicContact CE2-CD2 4.33Å; F360-L400 HydrophobicContact CZ-CD2 3.59Å; Y366-L400 HydrophobicContact CD1-CD1 4.49Å; Y366-L400 HydrophobicContact CD1-CD2 4.18Å; Y366-L400 HydrophobicContact CD1-CG 3.99Å; Y366-L400 HydrophobicContact CG-CD1 4.27Å; Y366-L400 HydrophobicContact CG-CD2 4.39Å; Y366-L400 HydrophobicContact CG-CG 4.23Å; E367-L400 WeakPolarHBondContact O-CA 3.48Å; A368-L400 HydrophobicContact CB-CD1 3.85Å; L380-L400 HydrophobicContact CD1-CD1 3.92Å
401	Y	97.7	Very high	84.8	Confident	20 Å²	20	59.6 Å²	59.6	8%	0.078	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151	-179.2	55.5	-86	0	0	0	112.2	Y366 E367 Y399 I403 L406	Y366-Y401 CarbonylContact C-O 3.58Å; Y366-Y401 VanDerWaalsContact CA-O 3.28Å; Y366-Y401 WeakPolarHBondContact CA-O 3.33Å; E367-Y401 HydrophobicContact CB-CD2 4.5Å; E367-Y401 HydrophobicContact CB-CE2 3.92Å; E367-Y401 HydrophobicContact CG-CE2 4.33Å; E367-Y401 PolarHBondContact N-O 3.23Å; E367-Y401 WeakPolarHBondContact O-CD1 3.44Å; E367-Y401 PolarHBondContact O-N 2.88Å; E367-Y401 PolarHBondContact OE1-OH 3.24Å; Y399-Y401 AromaticContact CD1-CD1 3.45Å; Y399-Y401 HydrophobicContact CD1-CD1 3.45Å; Y399-Y401 VanDerWaalsContact CD1-CD1 3.45Å; Y399-Y401 AromaticContact CD1-CE1 3.78Å; Y399-Y401 HydrophobicContact CD1-CE1 3.78Å; Y399-Y401 AromaticContact CE1-CD1 3.39Å; Y399-Y401 HydrophobicContact CE1-CD1 3.39Å; Y399-Y401 AromaticContact CE1-CE1 3.93Å; Y399-Y401 HydrophobicContact CE1-CE1 3.93Å; Y399-Y401 HydrophobicContact CE1-CG 4.07Å; Y399-Y401 HydrophobicContact CG-CD1 4.37Å; Y401-I403 PolarHBondContact O-N 2.84Å; Y401-L406 HydrophobicContact CE2-CD1 3.88Å; Y401-L406 HydrophobicContact CE2-CD2 4.08Å; Y401-L406 HydrophobicContact CE2-CG 3.82Å
402	P	95.9	Very high	84.1	Confident	13 Å²	13	59.7 Å²	59.7	8%	0.084	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	132	172.8	-21.4	31.8	0	0	0	111.3	K334 V364 Y366 K404 N405	K334-P402 HydrophobicContact CB-CG 4.43Å; V364-P402 HydrophobicContact CG1-CB 3.86Å; V364-P402 HydrophobicContact CG1-CG 4.21Å; Y366-P402 HydrophobicContact CD1-CG 4.4Å; Y366-P402 HydrophobicContact CE1-CG 4.19Å; P402-K404 PolarHBondContact O-N 3.25Å; P402-K404 VanDerWaalsContact O-N 3.13Å; P402-N405 VanDerWaalsContact O-CB 3.26Å; P402-N405 WeakPolarHBondContact O-CB 2.99Å; P402-N405 PolarHBondContact O-N 3.16Å
403	I	90.2	Very high	83.3	Confident	41 Å²	41	61.4 Å²	61.4	21%	0.21	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.1	179.1	-81.2	178.1	0	0	0	112.1	T365 E367 Y401 N405 L406	T365-I403 HydrophobicContact CG2-CD1 3.87Å; T365-I403 PolarHBondContact O-N 2.99Å; E367-I403 HydrophobicContact CB-CD1 4.39Å; E367-I403 HydrophobicContact CB-CG1 3.76Å; Y401-I403 PolarHBondContact O-N 2.84Å; I403-N405 PolarHBondContact O-N 2.9Å; I403-L406 WeakPolarHBondContact O-CB 3.42Å; I403-L406 PolarHBondContact O-N 2.02Å
404	K	81.5	Confident	82.5	Confident	149 Å²	149	63.7 Å²	63.7	65%	0.648	32%	0.315	S	S	*	.	H	α-helix	trans	-58.3	-21.1	177.6	-67.9	-172.6	176.1	-173.6	0	113.7	P402 L406 E407 M408	P402-K404 PolarHBondContact O-N 3.25Å; P402-K404 VanDerWaalsContact O-N 3.13Å; K404-L406 VanDerWaalsContact C-N 3.28Å; K404-L406 PolarHBondContact O-N 2.86Å; K404-E407 PolarHBondContact O-N 3.12Å; K404-M408 WeakPolarHBondContact O-CG 3.14Å; K404-M408 PolarHBondContact O-N 3.39Å
405	N	73.1	Confident	81.5	Confident	39 Å²	39	67.4 Å²	67.4	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-28.2	176.9	-70.3	10.3	0	0	0	112.5	N333 P402 I403 S409	N333-N405 PolarHBondContact O-ND2 3.15Å; P402-N405 VanDerWaalsContact O-CB 3.26Å; P402-N405 WeakPolarHBondContact O-CB 2.99Å; P402-N405 PolarHBondContact O-N 3.16Å; I403-N405 PolarHBondContact O-N 2.9Å; N405-S409 WeakPolarHBondContact O-CB 3.17Å; N405-S409 PolarHBondContact O-N 2.9Å; N405-S409 VanDerWaalsContact O-N 3.12Å; N405-S409 PolarHBondContact O-OG 3.2Å
406	L	68.9	Low	80.4	Confident	82 Å²	82	70.9 Å²	70.9	43%	0.429	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-41.5	173.8	-67.2	171.8	0	0	0	110.7	Y401 I403 K404 S409	Y401-L406 HydrophobicContact CE2-CD1 3.88Å; Y401-L406 HydrophobicContact CE2-CD2 4.08Å; Y401-L406 HydrophobicContact CE2-CG 3.82Å; I403-L406 WeakPolarHBondContact O-CB 3.42Å; I403-L406 PolarHBondContact O-N 2.02Å; K404-L406 VanDerWaalsContact C-N 3.28Å; K404-L406 PolarHBondContact O-N 2.86Å; L406-S409 PolarHBondContact O-OG 2.88Å
407	E	63.3	Low	79.2	Confident	115 Å²	115	74.5 Å²	74.5	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-69.1	-41.1	178.6	-62.6	175	-178.6	0	0	111.9	K404 Q411	K404-E407 PolarHBondContact O-N 3.12Å; E407-Q411 WeakPolarHBondContact O-CG 3.36Å
408	M	60.9	Low	77.8	Confident	133 Å²	133	79.9 Å²	79.9	66%	0.655	39%	0.392	S	S	*	.	H	α-helix	trans	-73.9	-25.6	-179.9	-72.6	-176.4	65.5	0	0	114.1	K404 Q410	K404-M408 WeakPolarHBondContact O-CG 3.14Å; K404-M408 PolarHBondContact O-N 3.39Å; M408-Q410 VanDerWaalsContact C-N 3.34Å
409	S	63.3	Low	76.2	Confident	92 Å²	92	85.4 Å²	85.4	64%	0.643	42%	0.42	S	S	*	.	H	α-helix	trans	-82.9	-11.3	179.3	54.3	0	0	0	0	113.6	N405 L406	N405-S409 WeakPolarHBondContact O-CB 3.17Å; N405-S409 PolarHBondContact O-N 2.9Å; N405-S409 VanDerWaalsContact O-N 3.12Å; N405-S409 PolarHBondContact O-OG 3.2Å; L406-S409 PolarHBondContact O-OG 2.88Å
410	Q	51.8	Low	74.3	Confident	180 Å²	180	89.9 Å²	89.9	84%	0.841	45%	0.445	S	S	*	.			trans	-103	0.8	174.5	-65.1	-152.9	-0.5	0	0	114	M408	M408-Q410 VanDerWaalsContact C-N 3.34Å
411	Q	46.3	Very low	72.1	Confident	214 Å²	214	98 Å²	98	100%	1	49%	0.485	S	S	*	.			trans	-107.1	0	172.5	-68	175.7	16	0	0	109.5	E407	E407-Q411 WeakPolarHBondContact O-CG 3.36Å

Retrieved 411 of 411 residues in 108.8 ms (Link to these results)

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