A0A075MGT0_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A075MGT0, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	45.7	Very low	239 Å²	239	132.9 Å²	132.9	100%	1.177	71%	0.705	S	S	*	*				0	105.9	0	-70.5	173.9	-159.3	0	0	107	V3	M1-V3 PolarHBondContact O-N 3.45Å
2	L	35.6	Very low	45.7	Very low	174 Å²	174	132.4 Å²	132.4	91%	0.911	70%	0.702	S	S	*	*			trans	-82.6	107.4	170.3	-86	156.3	0	0	0	106.4	M4	L2-M4 PolarHBondContact O-N 3.06Å
3	V	40.3	Very low	45.6	Very low	138 Å²	138	129.5 Å²	129.5	84%	0.836	69%	0.686	S	S	*	*			trans	-70	101.7	172.8	178.9	0	0	0	0	106.5	M1 A5	M1-V3 PolarHBondContact O-N 3.45Å; V3-A5 PolarHBondContact O-N 3.23Å
4	M	43.3	Very low	45.4	Very low	168 Å²	168	124.9 Å²	124.9	83%	0.828	67%	0.669	S	S	*	*			trans	-69.1	111.2	170	-75.6	177.2	59.3	0	0	107.8	L2	L2-M4 PolarHBondContact O-N 3.06Å
5	A	43.6	Very low	45.3	Very low	60 Å²	60	119.9 Å²	119.9	50%	0.496	65%	0.652	S	S	.	*			trans	-59.5	143.4	170.3	0	0	0	0	0	109.8	V3 R7	V3-A5 PolarHBondContact O-N 3.23Å; A5-R7 PolarHBondContact O-N 3.36Å
6	P	53.7	Low	45.3	Very low	76 Å²	76	115.4 Å²	115.4	49%	0.494	64%	0.636	S	S	.	*			trans	-61.2	131.7	-179.7	-15.4	27.6	0	0	0	110.1	T8 V9 L10	P6-T8 PolarHBondContact O-N 3.27Å; P6-V9 HydrophobicContact CB-CG2 4.19Å; P6-V9 HydrophobicContact CG-CG2 4.08Å; P6-V9 PolarHBondContact O-N 2.93Å; P6-L10 PolarHBondContact O-N 3.01Å
7	R	50.7	Low	45	Very low	212 Å²	212	114.9 Å²	114.9	80%	0.8	63%	0.631	S	S	*	*	H	α-helix	trans	-51.2	-29.4	179.6	-86.9	178.4	161.9	144.8	-5.3	113.6	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.36Å; R7-L10 PolarHBondContact O-N 3.05Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.27Å; R7-L11 PolarHBondContact O-N 3.49Å
8	T	50.6	Low	44.7	Very low	97 Å²	97	111.2 Å²	111.2	60%	0.595	62%	0.619	S	S	*	*	H	α-helix	trans	-68	-40.4	176	38.6	0	0	0	0	113.1	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.27Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L11 PolarHBondContact O-N 2.61Å; T8-L12 WeakPolarHBondContact O-CG 3.4Å; T8-L12 PolarHBondContact O-N 2.94Å
9	V	52.1	Low	44.5	Very low	70 Å²	70	109.7 Å²	109.7	42%	0.424	61%	0.609	S	S	.	*	H	α-helix	trans	-66.8	-38.7	175.5	178.1	0	0	0	0	110.3	P6 L12 L13	P6-V9 HydrophobicContact CB-CG2 4.19Å; P6-V9 HydrophobicContact CG-CG2 4.08Å; P6-V9 PolarHBondContact O-N 2.93Å; V9-L12 PolarHBondContact O-N 3.49Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 WeakPolarHBondContact O-CB 3.47Å; V9-L13 WeakPolarHBondContact O-CD1 3.45Å; V9-L13 WeakPolarHBondContact O-CG 3.41Å; V9-L13 PolarHBondContact O-N 3.27Å
10	L	45.4	Very low	44.4	Very low	108 Å²	108	108.1 Å²	108.1	57%	0.565	60%	0.602	S	S	*	*	H	α-helix	trans	-64.4	-40.9	176.1	-146.7	84.3	0	0	0	111.7	P6 R7 T8 S14	P6-L10 PolarHBondContact O-N 3.01Å; R7-L10 PolarHBondContact O-N 3.05Å; T8-L10 VanDerWaalsContact C-N 3.32Å; L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 2.97Å; L10-S14 PolarHBondContact O-OG 3.35Å
11	L	53.6	Low	44.2	Very low	120 Å²	120	110.8 Å²	110.8	63%	0.628	61%	0.61	S	S	*	*	H	α-helix	trans	-69	-40.2	177.8	-73.7	166	0	0	0	112.7	R7 T8 S14 A15	R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.27Å; R7-L11 PolarHBondContact O-N 3.49Å; T8-L11 PolarHBondContact O-N 2.61Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 2.99Å; L11-A15 PolarHBondContact O-N 3.01Å
12	L	45.4	Very low	44.8	Very low	127 Å²	127	103.8 Å²	103.8	67%	0.665	58%	0.581	S	S	*	*	H	α-helix	trans	-66.6	-41.1	175.5	-72.7	168.2	0	0	0	112	T8 V9 S14 A15 A16	T8-L12 WeakPolarHBondContact O-CG 3.4Å; T8-L12 PolarHBondContact O-N 2.94Å; V9-L12 PolarHBondContact O-N 3.49Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 2.62Å; L12-A16 WeakPolarHBondContact O-CB 3.24Å; L12-A16 PolarHBondContact O-N 3.4Å
13	L	44.4	Very low	45.4	Very low	95 Å²	95	98 Å²	98	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-37.8	172.1	-77.8	162.7	0	0	0	111.7	V9 L17	V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 WeakPolarHBondContact O-CB 3.47Å; V9-L13 WeakPolarHBondContact O-CD1 3.45Å; V9-L13 WeakPolarHBondContact O-CG 3.41Å; V9-L13 PolarHBondContact O-N 3.27Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.27Å; L13-L17 PolarHBondContact O-N 2.7Å
14	S	42.8	Very low	46.2	Very low	65 Å²	65	94.3 Å²	94.3	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-66.2	-40.2	176.5	-52.9	0	0	0	0	111.8	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 2.97Å; L10-S14 PolarHBondContact O-OG 3.35Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 2.99Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 3.49Å; S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 3.2Å; S14-A18 PolarHBondContact O-N 2.91Å
15	A	44.5	Very low	47.8	Very low	50 Å²	50	87.3 Å²	87.3	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-69.6	-41.5	176.6	0	0	0	0	0	112	L11 L12 A18 L19	L11-A15 PolarHBondContact O-N 3.01Å; L12-A15 PolarHBondContact O-N 2.62Å; A15-A18 PolarHBondContact O-N 2.87Å; A15-L19 VanDerWaalsContact O-CD1 3.27Å; A15-L19 WeakPolarHBondContact O-CD1 3.38Å; A15-L19 PolarHBondContact O-N 2.81Å
16	A	44.8	Very low	50.1	Low	47 Å²	47	87.1 Å²	87.1	39%	0.388	50%	0.497	S	S	.	.	H	α-helix	trans	-65.7	-40.6	175.2	0	0	0	0	0	112.1	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.24Å; L12-A16 PolarHBondContact O-N 3.4Å; A16-L19 PolarHBondContact O-N 2.97Å; A16-T20 WeakPolarHBondContact O-CG2 3.23Å; A16-T20 PolarHBondContact O-N 2.92Å; A16-T20 PolarHBondContact O-OG1 3.5Å
17	L	41.3	Very low	52.2	Low	107 Å²	107	84.8 Å²	84.8	56%	0.56	48%	0.479	S	S	*	.	H	α-helix	trans	-66.5	-40.7	174.8	-78.2	163.1	0	0	0	112	L13 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.27Å; L13-L17 PolarHBondContact O-N 2.7Å; L17-T20 WeakPolarHBondContact CA-OG1 3.25Å; L17-T20 PolarHBondContact O-N 3.43Å; L17-T20 PolarHBondContact O-OG1 2.79Å; L17-E21 PolarHBondContact O-N 3.24Å
18	A	39.1	Very low	54.4	Low	49 Å²	49	75.9 Å²	75.9	41%	0.405	45%	0.45	S	S	.	.	H	α-helix	trans	-63.1	-41.1	175	0	0	0	0	0	111.7	S14 A15 E21 T22	S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 3.2Å; S14-A18 PolarHBondContact O-N 2.91Å; A15-A18 PolarHBondContact O-N 2.87Å; A18-E21 PolarHBondContact O-N 3.08Å; A18-T22 VanDerWaalsContact O-CG2 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.45Å; A18-T22 PolarHBondContact O-N 2.88Å; A18-T22 PolarHBondContact O-OG1 2.9Å; A18-T22 VanDerWaalsContact O-OG1 3.08Å
19	L	40.2	Very low	56.7	Low	83 Å²	83	71.3 Å²	71.3	44%	0.435	42%	0.421	S	S	.	.	H	α-helix	trans	-61.1	-45.2	172	-96.7	101.6	0	0	0	111.5	A15 A16 E21 T22 W23	A15-L19 VanDerWaalsContact O-CD1 3.27Å; A15-L19 WeakPolarHBondContact O-CD1 3.38Å; A15-L19 PolarHBondContact O-N 2.81Å; A16-L19 PolarHBondContact O-N 2.97Å; L19-E21 PolarHBondContact O-N 3.33Å; L19-T22 PolarHBondContact O-N 2.89Å; L19-T22 PolarHBondContact O-OG1 3.36Å; L19-W23 PolarHBondContact O-N 3.05Å
20	T	43.1	Very low	58.9	Low	76 Å²	76	70.4 Å²	70.4	47%	0.466	41%	0.411	S	S	.	.	H	α-helix	trans	-66.6	-35.3	178.7	53	0	0	0	0	114.1	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.23Å; A16-T20 PolarHBondContact O-N 2.92Å; A16-T20 PolarHBondContact O-OG1 3.5Å; L17-T20 WeakPolarHBondContact CA-OG1 3.25Å; L17-T20 PolarHBondContact O-N 3.43Å; L17-T20 PolarHBondContact O-OG1 2.79Å
21	E	41	Very low	61.5	Low	165 Å²	165	66 Å²	66	77%	0.771	39%	0.386	S	S	*	.	H	α-helix	trans	-72.1	-30.7	176.1	-86.6	-173.4	157	0	0	112.3	L17 A18 L19 W23	L17-E21 PolarHBondContact O-N 3.24Å; A18-E21 PolarHBondContact O-N 3.08Å; L19-E21 PolarHBondContact O-N 3.33Å; E21-W23 VanDerWaalsContact C-N 3.3Å; E21-W23 PolarHBondContact O-N 2.99Å
22	T	44.7	Very low	63.6	Low	92 Å²	92	64.4 Å²	64.4	56%	0.564	38%	0.375	S	S	*	.	H	α-helix	trans	-73.8	-18.5	179.6	52.5	0	0	0	0	114.2	A18 L19	A18-T22 VanDerWaalsContact O-CG2 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.45Å; A18-T22 PolarHBondContact O-N 2.88Å; A18-T22 PolarHBondContact O-OG1 2.9Å; A18-T22 VanDerWaalsContact O-OG1 3.08Å; L19-T22 PolarHBondContact O-N 2.89Å; L19-T22 PolarHBondContact O-OG1 3.36Å
23	W	48.6	Very low	66.2	Low	53 Å²	53	58.5 Å²	58.5	20%	0.201	34%	0.344	C	S	.	.	H	α-helix	trans	-92.1	-28	-173.8	-74.3	39.5	0	0	0	113.8	L19 E21 G25 E236 E288	L19-W23 PolarHBondContact O-N 3.05Å; E21-W23 VanDerWaalsContact C-N 3.3Å; E21-W23 PolarHBondContact O-N 2.99Å; W23-G25 PolarHBondContact O-N 3.17Å; W23-G25 VanDerWaalsContact O-N 3.09Å; W23-E236 HydrophobicContact CD2-CG 4.49Å; W23-E236 HydrophobicContact CE3-CG 4.13Å; W23-E236 HydrophobicContact CH2-CB 4.09Å; W23-E236 HydrophobicContact CH2-CG 3.14Å; W23-E236 HydrophobicContact CZ2-CG 3.43Å; W23-E236 VanDerWaalsContact CZ2-CG 3.43Å; W23-E236 HydrophobicContact CZ3-CB 3.93Å; W23-E236 HydrophobicContact CZ3-CG 3.46Å; W23-E236 VanDerWaalsContact CZ3-CG 3.46Å; W23-E236 WeakPolarHBondContact CZ3-O 3.25Å; W23-E288 HydrophobicContact CE3-CB 4.42Å
24	A	56.9	Low	68.8	Low	60 Å²	60	55.6 Å²	55.6	50%	0.496	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	105.2	-175.4	0	0	0	0	0	111.1	P129	A24-P129 WeakPolarHBondContact O-CG 3.26Å
25	G	78.3	Confident	71.4	Confident	22 Å²	22	52.6 Å²	52.6	23%	0.227	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	18.2	163.6	0	0	0	0	0	116.9	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.17Å; W23-G25 VanDerWaalsContact O-N 3.09Å; G25-G128 CarbonylContact O-C 3.59Å; G25-P129 WeakPolarHBondContact O-CA 3.32Å; G25-P129 WeakPolarHBondContact O-CG 3.31Å
26	S	92.1	Very high	74	Confident	55 Å²	55	53 Å²	53	39%	0.385	30%	0.303	S	S	.	.			trans	-86	142.6	162.6	65.3	0	0	0	0	110.3	V127	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.39Å
27	H	96.4	Very high	76.5	Confident	27 Å²	27	51.6 Å²	51.6	13%	0.125	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.2	179.6	-65.7	-78.8	0	0	0	111.2	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.12Å; H27-D53 IonicContact CE1-OD2 3.69Å; H27-D53 IonicContact CG-OD2 3.77Å; H27-D53 IonicContact ND1-OD1 2.7Å; H27-D53 IonicContact ND1-OD2 2.82Å; H27-D53 PolarHBondContact ND1-OD2 2.96Å; H27-D126 CarbonylContact O-C 3.49Å; H27-D126 WeakPolarHBondContact O-CA 3.05Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.86Å; H27-V127 PolarHBondContact O-N 2.9Å; H27-L192 HydrophobicContact CB-CD1 4.41Å; H27-L196 HydrophobicContact CB-CD1 3.75Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.31Å
28	S	97.9	Very high	79.1	Confident	25 Å²	25	50 Å²	50	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.1	178.2	64.4	0	0	0	0	111.5	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; S28-D53 PolarHBondContact N-OD1 3.06Å; S28-D53 PolarHBondContact O-N 3.35Å; S28-D53 PolarHBondContact OG-OD1 3.2Å; S28-C125 WeakPolarHBondContact CA-O 3.37Å; S28-D126 WeakPolarHBondContact CB-OD1 3.03Å
29	M	98.7	Very high	81.6	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.3	165.8	-174.2	168.8	62.8	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 4.07Å; M29-Y31 HydrophobicContact SD-CE2 4.09Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.38Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.23Å; M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; M29-C125 PolarHBondContact N-O 3.22Å; M29-C125 PolarHBondContact O-N 3.48Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.42Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; M29-W191 HydrophobicContact CE-CB 4.07Å; M29-L192 HydrophobicContact CB-CB 4.09Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-L192 HydrophobicContact SD-CB 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.49Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.49Å
30	R	98.7	Very high	84	Confident	52 Å²	52	50.7 Å²	50.7	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.9	-177.3	-58.2	-63.2	-178.5	75.6	5.9	110.9	F32 G50 Y51 Y123 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.49Å; R30-Y51 PolarHBondContact N-O 2.82Å; R30-Y51 PolarHBondContact O-N 3.06Å; R30-Y123 WeakPolarHBondContact CA-O 3.11Å; R30-D126 IonicContact CZ-OD1 3.83Å; R30-D126 IonicContact NE-OD1 2.9Å; R30-D126 PolarHBondContact NE-OD1 2.61Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.93Å; R30-D126 PolarHBondContact NH2-OD1 3.18Å; R30-D126 IonicContact NH2-OD2 3.11Å; R30-D126 PolarHBondContact NH2-OD2 3.05Å; R30-D126 VanDerWaalsContact NH2-OD2 3.12Å; R30-H137 PolarHBondContact NH2-NE2 3.33Å; R30-H137 VanDerWaalsContact NH2-NE2 3.15Å
31	Y	98.8	Very high	86.3	Confident	14 Å²	14	57.1 Å²	57.1	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.2	168.4	-68.1	-91.1	0	0	0	109	M29 V49 F57 V58 Y91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 4.07Å; M29-Y31 HydrophobicContact SD-CE2 4.09Å; Y31-V49 WeakPolarHBondContact CA-O 3.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.32Å; Y31-V58 HydrophobicContact CE1-CG2 3.99Å; Y31-Y91 WeakPolarHBondContact CE1-OH 3.47Å; Y31-M122 WeakPolarHBondContact O-CA 3.48Å; Y31-Y123 HydrophobicContact CD2-CD2 4.24Å; Y31-Y123 AromaticContact CD2-CE2 3.58Å; Y31-Y123 HydrophobicContact CD2-CE2 3.58Å; Y31-Y123 AromaticContact CD2-CZ 4Å; Y31-Y123 HydrophobicContact CE2-CE2 4.42Å; Y31-Y123 HydrophobicContact CG-CE1 4.48Å; Y31-Y123 AromaticContact CG-CE2 3.86Å; Y31-Y123 HydrophobicContact CG-CE2 3.86Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 3.04Å; Y31-Y123 PolarHBondContact O-N 3.43Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å
32	F	98.8	Very high	88.7	Confident	88 Å²	88	51.9 Å²	51.9	39%	0.386	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	114.3	177.1	-57.8	-94.4	0	0	0	108.6	R30 S48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-S48 WeakPolarHBondContact O-CA 3.28Å; F32-V49 HydrophobicContact CB-CG2 3.92Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 2.92Å; F32-V49 PolarHBondContact O-N 2.8Å; F32-Y51 HydrophobicContact CD2-CD2 4.2Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; F32-S121 WeakPolarHBondContact CA-O 3.36Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.21Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 4.07Å
33	D	98.8	Very high	91.1	Very high	2 Å²	2	52 Å²	52	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	146	174.2	-48.6	-34.1	0	0	0	110.2	F46 I47 S48 Q120 S121	D33-F46 HydrophobicContact CB-CE2 3.7Å; D33-F46 HydrophobicContact CB-CZ 3.85Å; D33-I47 CarbonylContact C-O 3.59Å; D33-I47 WeakPolarHBondContact CA-O 3.49Å; D33-S48 WeakPolarHBondContact OD1-CB 3.37Å; D33-S48 PolarHBondContact OD1-OG 3.44Å; D33-Q120 VanDerWaalsContact O-CA 3.3Å; D33-Q120 WeakPolarHBondContact O-CA 3.32Å; D33-S121 WeakPolarHBondContact CB-OG 3.42Å; D33-S121 PolarHBondContact N-O 3.38Å; D33-S121 PolarHBondContact O-N 3.2Å; D33-S121 PolarHBondContact OD2-OG 3.16Å
34	T	98.8	Very high	93.4	Very high	34 Å²	34	50.9 Å²	50.9	21%	0.209	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	115.7	176	-60.8	0	0	0	0	109.7	M36 F46 I47 T118 L119 Q120	T34-M36 HydrophobicContact CG2-CE 4.15Å; T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.27Å; T34-F46 WeakPolarHBondContact O-CA 3.32Å; T34-I47 PolarHBondContact N-O 2.89Å; T34-I47 PolarHBondContact O-N 3.03Å; T34-T118 HydrophobicContact CG2-CG2 3.94Å; T34-L119 WeakPolarHBondContact CA-O 3.44Å; T34-Q120 HydrophobicContact CG2-CG 4.2Å
35	A	98.6	Very high	95.3	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.8	173.6	0	0	0	0	0	110.3	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.31Å; A35-R45 WeakPolarHBondContact CA-O 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; A35-D98 HydrophobicContact CB-CB 3.64Å; A35-L102 HydrophobicContact CB-CD1 3.9Å; A35-T118 WeakPolarHBondContact O-CA 3.32Å; A35-L119 HydrophobicContact CB-CB 4.42Å; A35-L119 PolarHBondContact N-O 2.69Å; A35-L119 PolarHBondContact O-N 2.65Å
36	M	98.4	Very high	96.3	Very high	59 Å²	59	51 Å²	51	29%	0.291	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.1	-177.6	-66.7	162.9	-76.4	0	0	109.9	T34 P44 R45 I47 T118	T34-M36 HydrophobicContact CG2-CE 4.15Å; T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.27Å; M36-P44 CarbonylContact O-C 3.47Å; M36-P44 WeakPolarHBondContact O-CA 3.49Å; M36-P44 WeakPolarHBondContact O-CB 3.36Å; M36-R45 HydrophobicContact CE-CB 4.41Å; M36-R45 HydrophobicContact CE-CG 4.41Å; M36-R45 PolarHBondContact N-O 3.04Å; M36-R45 PolarHBondContact O-N 3.23Å; M36-I47 HydrophobicContact CE-CD1 3.9Å; M36-I47 HydrophobicContact CE-CG1 4.4Å; M36-T118 HydrophobicContact CG-CG2 4.1Å
37	S	97.5	Very high	96.6	Very high	17 Å²	17	50.1 Å²	50.1	12%	0.119	27%	0.269	C	S	.	.			trans	-68.4	145.3	172.5	78.1	0	0	0	0	110.3	S116 H117	S37-S116 PolarHBondContact O-OG 3.04Å; S37-H117 PolarHBondContact N-O 3.35Å; S37-H117 PolarHBondContact OG-N 3.32Å; S37-H117 PolarHBondContact OG-O 2.81Å
38	R	95.4	Very high	96.7	Very high	75 Å²	75	48.8 Å²	48.8	28%	0.283	26%	0.263	S	S	.	.			trans	-140.4	73.2	-179.2	52.3	175.3	175.8	-162.2	-8.9	111	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.44Å; R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 WeakPolarHBondContact CD-O 3.33Å; R38-R41 HydrophobicContact CG-CB 4.17Å; R38-R41 PolarHBondContact NE-O 3.47Å; R38-R41 PolarHBondContact O-N 2.89Å; R38-E43 VanDerWaalsContact CZ-O 3.31Å; R38-E43 PolarHBondContact NE-O 2.8Å; R38-E43 PolarHBondContact NH2-O 3.31Å; R38-D63 IonicContact CZ-OD1 3.46Å; R38-D63 IonicContact CZ-OD2 3.6Å; R38-D63 IonicContact NH1-OD1 3.34Å; R38-D63 PolarHBondContact NH1-OD1 3.18Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 2.82Å; R38-D63 IonicContact NH2-OD1 2.73Å; R38-D63 PolarHBondContact NH2-OD1 3.03Å; R38-D63 IonicContact NH2-OD2 3.66Å
39	P	91.1	Very high	96.8	Very high	56 Å²	56	49 Å²	49	36%	0.364	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	130	-175.5	-26.9	34.4	0	0	0	112.6	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.27Å; P39-R41 PolarHBondContact O-N 3.46Å; P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; P39-G115 WeakPolarHBondContact CG-O 3.44Å
40	G	90.5	Very high	96.8	Very high	89 Å²	89	49 Å²	49	92%	0.918	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	2.2	-177.8	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.44Å
41	R	92.7	Very high	96.8	Very high	211 Å²	211	49.8 Å²	49.8	80%	0.796	27%	0.267	S	S	*	.	S	Bend	trans	-123.8	24.7	179	-59.8	-174.2	-178.5	173.2	1.3	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 WeakPolarHBondContact CD-O 3.33Å; R38-R41 HydrophobicContact CG-CB 4.17Å; R38-R41 PolarHBondContact NE-O 3.47Å; R38-R41 PolarHBondContact O-N 2.89Å; P39-R41 VanDerWaalsContact C-N 3.27Å; P39-R41 PolarHBondContact O-N 3.46Å
42	G	91.5	Very high	96.8	Very high	55 Å²	55	49.1 Å²	49.1	57%	0.567	26%	0.264	S	S	*	.	S	Bend	trans	95.9	-161.8	179.5	0	0	0	0	0	113.4
43	E	94.1	Very high	96.7	Very high	96 Å²	96	46.4 Å²	46.4	45%	0.449	25%	0.254	S	S	.	.	S	Bend	trans	-70.6	156.1	-178.6	-63.8	-55.3	159.3	0	0	112.6	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.31Å; R38-E43 PolarHBondContact NE-O 2.8Å; R38-E43 PolarHBondContact NH2-O 3.31Å; E43-R45 PolarHBondContact O-N 3.16Å; E43-R99 IonicContact OE1-CZ 2.76Å; E43-R99 VanDerWaalsContact OE1-CZ 3.31Å; E43-R99 IonicContact OE1-NE 2.81Å; E43-R99 IonicContact OE1-NH2 3.39Å; E43-R99 PolarHBondContact OE1-NH2 2.75Å; E43-R99 WeakPolarHBondContact OE2-CD 3.31Å; E43-R99 IonicContact OE2-CZ 3.85Å; E43-R99 IonicContact OE2-NE 3.23Å; E43-R99 PolarHBondContact OE2-NE 3.01Å; E43-R99 IonicContact OE2-NH1 2.71Å; E43-R99 IonicContact OE2-NH2 3.75Å; E43-R99 PolarHBondContact OE2-NH2 2.72Å
44	P	96.8	Very high	96.5	Very high	29 Å²	29	49.3 Å²	49.3	19%	0.188	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-51.2	134.5	172.8	-25.8	35	0	0	0	111.6	M36 R99 L102	M36-P44 CarbonylContact O-C 3.47Å; M36-P44 WeakPolarHBondContact O-CA 3.49Å; M36-P44 WeakPolarHBondContact O-CB 3.36Å; P44-R99 HydrophobicContact CG-CB 4.34Å; P44-R99 HydrophobicContact CG-CG 4.13Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.88Å
45	R	98.2	Very high	96.4	Very high	80 Å²	80	48.4 Å²	48.4	30%	0.302	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.1	173.2	-177.3	-177.6	-176	-177.8	-1.5	108.5	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.31Å; A35-R45 WeakPolarHBondContact CA-O 3.36Å; M36-R45 HydrophobicContact CE-CB 4.41Å; M36-R45 HydrophobicContact CE-CG 4.41Å; M36-R45 PolarHBondContact N-O 3.04Å; M36-R45 PolarHBondContact O-N 3.23Å; E43-R45 PolarHBondContact O-N 3.16Å; R45-I47 HydrophobicContact CG-CG1 4.32Å; R45-D61 IonicContact CZ-OD1 3.93Å; R45-D61 IonicContact CZ-OD2 3.62Å; R45-D61 IonicContact NE-OD1 3.8Å; R45-D61 PolarHBondContact NE-OD1 3.43Å; R45-D61 IonicContact NE-OD2 3.31Å; R45-D61 IonicContact NH2-OD1 2.64Å; R45-D61 PolarHBondContact NH2-OD1 3.26Å; R45-D61 IonicContact NH2-OD2 2.97Å; R45-D61 PolarHBondContact NH2-OD2 3.16Å; R45-S62 WeakPolarHBondContact CA-OG 3.46Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 2.85Å
46	F	98.7	Very high	96.4	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.1	176.5	177.3	-91.9	0	0	0	109.9	D33 T34 A35 F60 S62 Y91 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.7Å; D33-F46 HydrophobicContact CB-CZ 3.85Å; T34-F46 WeakPolarHBondContact O-CA 3.32Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; F46-F60 AromaticContact CD1-CD1 3.7Å; F46-F60 HydrophobicContact CD1-CD1 3.7Å; F46-F60 AromaticContact CD1-CE1 3.83Å; F46-F60 HydrophobicContact CD1-CE1 3.83Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.34Å; F46-S62 PolarHBondContact N-OG 2.97Å; F46-S62 PolarHBondContact O-N 3.47Å; F46-S62 PolarHBondContact O-OG 3.08Å; F46-Y91 HydrophobicContact CE1-CD1 4.22Å; F46-Q94 HydrophobicContact CE2-CB 4.3Å; F46-Q94 HydrophobicContact CE2-CG 3.79Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.88Å; F46-A95 HydrophobicContact CD2-CB 4.19Å; F46-A95 HydrophobicContact CG-CB 3.65Å; F46-D98 HydrophobicContact CD2-CB 4.4Å; F46-D98 VanDerWaalsContact CE2-OD2 3.27Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.46Å
47	I	98.8	Very high	96.4	Very high	37 Å²	37	48.1 Å²	48.1	19%	0.19	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.3	175.1	-57.9	174.6	0	0	0	107.4	D33 T34 M36 R45 V49 F60	D33-I47 CarbonylContact C-O 3.59Å; D33-I47 WeakPolarHBondContact CA-O 3.49Å; T34-I47 PolarHBondContact N-O 2.89Å; T34-I47 PolarHBondContact O-N 3.03Å; M36-I47 HydrophobicContact CE-CD1 3.9Å; M36-I47 HydrophobicContact CE-CG1 4.4Å; R45-I47 HydrophobicContact CG-CG1 4.32Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.1Å
48	S	98.8	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.5	169.5	-177	0	0	0	0	109.9	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.28Å; D33-S48 WeakPolarHBondContact OD1-CB 3.37Å; D33-S48 PolarHBondContact OD1-OG 3.44Å; S48-R59 CarbonylContact O-C 3.53Å; S48-R59 WeakPolarHBondContact O-CA 3.5Å; S48-F60 PolarHBondContact N-O 3.43Å; S48-F60 PolarHBondContact O-N 2.95Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.3Å
49	V	98.8	Very high	96.6	Very high	29 Å²	29	47.6 Å²	47.6	18%	0.176	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.3	172.3	-64.2	0	0	0	0	110.2	Y31 F32 I47 Y51 Q56 R59	Y31-V49 WeakPolarHBondContact CA-O 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.92Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 2.92Å; F32-V49 PolarHBondContact O-N 2.8Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.31Å; V49-R59 HydrophobicContact CG1-CB 4.42Å; V49-R59 HydrophobicContact CG1-CG 4.19Å
50	G	98.7	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.1	177.1	0	0	0	0	0	111.2	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.49Å; G50-Q56 WeakPolarHBondContact O-CA 3.47Å; G50-F57 WeakPolarHBondContact O-CD1 3.44Å; G50-F57 PolarHBondContact O-N 3.04Å; G50-V58 PolarHBondContact N-O 2.79Å; G50-V58 VanDerWaalsContact N-O 3.15Å; G50-V58 PolarHBondContact O-N 2.91Å
51	Y	98.7	Very high	97.4	Very high	70 Å²	70	41.7 Å²	41.7	28%	0.275	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.1	178.4	-78.5	-102.8	0	0	0	110.8	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.38Å; R30-Y51 PolarHBondContact N-O 2.82Å; R30-Y51 PolarHBondContact O-N 3.06Å; F32-Y51 HydrophobicContact CD2-CD2 4.2Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; Y51-T55 WeakPolarHBondContact CA-O 3.47Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.06Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.56Å; Y51-Q56 HydrophobicContact CE1-CG 4.31Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.8Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.4	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.4	156.4	177.4	0	0	0	0	106.3	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 2.87Å; V52-T55 PolarHBondContact N-O 2.86Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 2.86Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 3.99Å; V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; V52-Y195 HydrophobicContact CG2-CD2 3.94Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å
53	D	96.4	Very high	97.9	Very high	31 Å²	31	34 Å²	34	17%	0.166	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-127.8	-166.6	-52.8	-41.1	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.12Å; H27-D53 IonicContact CE1-OD2 3.69Å; H27-D53 IonicContact CG-OD2 3.77Å; H27-D53 IonicContact ND1-OD1 2.7Å; H27-D53 IonicContact ND1-OD2 2.82Å; H27-D53 PolarHBondContact ND1-OD2 2.96Å; S28-D53 PolarHBondContact N-OD1 3.06Å; S28-D53 PolarHBondContact O-N 3.35Å; S28-D53 PolarHBondContact OG-OD1 3.2Å; D53-T55 VanDerWaalsContact C-N 3.3Å; D53-T55 PolarHBondContact O-N 2.67Å
54	D	96.3	Very high	98.1	Very high	62 Å²	62	31 Å²	31	33%	0.332	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	13.7	177.2	-61.4	-56.1	0	0	0	114.2	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.87Å; D54-Y233 HydrophobicContact CB-CE2 3.83Å; D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 WeakPolarHBondContact OD2-CB 3.33Å; D54-A235 PolarHBondContact OD2-N 3.23Å; D54-F265 HydrophobicContact CB-CE2 3.75Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.8	Very high	98	Very high	15 Å²	15	35.2 Å²	35.2	9%	0.092	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.3	-178.1	-57.5	0	0	0	0	111.6	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.47Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.86Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 2.86Å; D53-T55 VanDerWaalsContact C-N 3.3Å; D53-T55 PolarHBondContact O-N 2.67Å; T55-F57 PolarHBondContact O-N 2.92Å; T55-L203 HydrophobicContact CG2-CD2 4.18Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.5Å; T55-Y233 PolarHBondContact OG1-OH 3.15Å; T55-R263 PolarHBondContact OG1-NE 2.87Å
56	Q	97.8	Very high	98	Very high	55 Å²	55	35 Å²	35	26%	0.257	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.4	172.7	-166.4	178.9	-4.9	0	0	110.5	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.31Å; G50-Q56 WeakPolarHBondContact O-CA 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 4.06Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.56Å; Y51-Q56 HydrophobicContact CE1-CG 4.31Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.8Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 3.31Å; Q56-V58 VanDerWaalsContact NE2-O 3.13Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.39Å
57	F	98.3	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-23	-179.8	74.5	-82.7	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.23Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.44Å; G50-F57 PolarHBondContact O-N 3.04Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 3.99Å; T55-F57 PolarHBondContact O-N 2.92Å; F57-R72 PolarHBondContact O-N 2.82Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.96Å; F57-W75 HydrophobicContact CD1-CH2 4.02Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CZ3 4.03Å; F57-W75 AromaticContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.99Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.33Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.48Å; F57-Y195 HydrophobicContact CD2-CE2 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.61Å; F57-Y195 HydrophobicContact CE2-CE2 3.61Å; F57-Y195 AromaticContact CE2-CZ 3.93Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å
58	V	98.6	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.2	176.6	-71.6	0	0	0	0	112.6	Y31 G50 Q56 E69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.99Å; G50-V58 PolarHBondContact N-O 2.79Å; G50-V58 VanDerWaalsContact N-O 3.15Å; G50-V58 PolarHBondContact O-N 2.91Å; Q56-V58 PolarHBondContact NE2-O 3.31Å; Q56-V58 VanDerWaalsContact NE2-O 3.13Å; V58-E69 HydrophobicContact CB-CG 3.93Å; V58-E69 WeakPolarHBondContact CB-OE1 2.94Å; V58-E69 HydrophobicContact CG1-CG 3.99Å; V58-E69 WeakPolarHBondContact CG1-OE1 3.04Å; V58-E70 WeakPolarHBondContact CA-O 3.42Å; V58-I76 HydrophobicContact CG1-CG1 4.33Å; V58-W84 HydrophobicContact CG1-CH2 4.29Å; V58-W84 HydrophobicContact CG1-CZ3 4Å
59	R	98.6	Very high	97.8	Very high	82 Å²	82	41.4 Å²	41.4	31%	0.309	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	145	171.3	177.9	175.2	170	-177.6	-4	111	S48 V49 D61 E69 E70 R72	S48-R59 CarbonylContact O-C 3.53Å; S48-R59 WeakPolarHBondContact O-CA 3.5Å; V49-R59 HydrophobicContact CG1-CB 4.42Å; V49-R59 HydrophobicContact CG1-CG 4.19Å; R59-D61 IonicContact CZ-OD2 3.01Å; R59-D61 IonicContact NH2-OD2 2.66Å; R59-D61 PolarHBondContact NH2-OD2 3.19Å; R59-E69 WeakPolarHBondContact O-CA 3.43Å; R59-E70 PolarHBondContact N-O 3Å; R59-E70 PolarHBondContact O-N 2.94Å; R59-R72 HydrophobicContact CB-CG 3.99Å
60	F	98.8	Very high	97.8	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.8	164.3	-179.8	-85.1	0	0	0	110	F46 I47 S48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.7Å; F46-F60 HydrophobicContact CD1-CD1 3.7Å; F46-F60 AromaticContact CD1-CE1 3.83Å; F46-F60 HydrophobicContact CD1-CE1 3.83Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.34Å; I47-F60 WeakPolarHBondContact CA-O 3.1Å; S48-F60 PolarHBondContact N-O 3.43Å; S48-F60 PolarHBondContact O-N 2.95Å; F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.93Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; F60-Y91 HydrophobicContact CB-CD1 4.46Å; F60-Y91 HydrophobicContact CB-CD2 3.8Å; F60-Y91 HydrophobicContact CB-CE2 4.29Å; F60-Y91 HydrophobicContact CB-CG 3.9Å; F60-Y91 HydrophobicContact CD1-CG 4.44Å; F60-Y91 AromaticContact CD2-CD2 3.89Å; F60-Y91 HydrophobicContact CD2-CD2 3.89Å; F60-Y91 HydrophobicContact CD2-CG 4.09Å; F60-Y91 AromaticContact CG-CD2 3.99Å; F60-Y91 HydrophobicContact CG-CD2 3.99Å; F60-Y91 AromaticContact CG-CG 3.9Å; F60-Y91 HydrophobicContact CG-CG 3.9Å; F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.03Å
61	D	98.7	Very high	97.8	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	118.7	175.7	-163.5	-27.5	0	0	0	110	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.93Å; R45-D61 IonicContact CZ-OD2 3.62Å; R45-D61 IonicContact NE-OD1 3.8Å; R45-D61 PolarHBondContact NE-OD1 3.43Å; R45-D61 IonicContact NE-OD2 3.31Å; R45-D61 IonicContact NH2-OD1 2.64Å; R45-D61 PolarHBondContact NH2-OD1 3.26Å; R45-D61 IonicContact NH2-OD2 2.97Å; R45-D61 PolarHBondContact NH2-OD2 3.16Å; R59-D61 IonicContact CZ-OD2 3.01Å; R59-D61 IonicContact NH2-OD2 2.66Å; R59-D61 PolarHBondContact NH2-OD2 3.19Å; D61-D63 PolarHBondContact O-N 3.48Å; D61-D63 PolarHBondContact OD1-N 2.99Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.87Å
62	S	98.3	Very high	97.8	Very high	34 Å²	34	48.2 Å²	48.2	24%	0.238	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.6	-178.4	70.1	0	0	0	0	113.5	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.46Å; F46-S62 PolarHBondContact N-OG 2.97Å; F46-S62 PolarHBondContact O-N 3.47Å; F46-S62 PolarHBondContact O-OG 3.08Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.3Å
63	D	97.4	Very high	97.7	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.374	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.9	179.1	-80.4	4.5	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.46Å; R38-D63 IonicContact CZ-OD2 3.6Å; R38-D63 IonicContact NH1-OD1 3.34Å; R38-D63 PolarHBondContact NH1-OD1 3.18Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 2.82Å; R38-D63 IonicContact NH2-OD1 2.73Å; R38-D63 PolarHBondContact NH2-OD1 3.03Å; R38-D63 IonicContact NH2-OD2 3.66Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 2.85Å; D61-D63 PolarHBondContact O-N 3.48Å; D61-D63 PolarHBondContact OD1-N 2.99Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å
64	A	97.1	Very high	97.7	Very high	35 Å²	35	52 Å²	52	29%	0.289	29%	0.29	S	S	.	.	S	Bend	trans	-62.1	149.9	172.6	0	0	0	0	0	110.8	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.87Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.69Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 VanDerWaalsContact O-CD 3.25Å; A64-P67 WeakPolarHBondContact O-CD 3.39Å; A64-P67 WeakPolarHBondContact O-CG 3.39Å
65	A	96.7	Very high	97.7	Very high	116 Å²	116	50 Å²	50	96%	0.959	28%	0.277	S	S	*	.	S	Bend	trans	-59.1	-31.3	-179.5	0	0	0	0	0	113
66	S	96.3	Very high	97.8	Very high	76 Å²	76	49.2 Å²	49.2	53%	0.531	27%	0.273	S	S	.	.	S	Bend	trans	-135.4	88.7	172.2	-178.6	0	0	0	0	108.4	A64 R68	A64-S66 PolarHBondContact O-N 2.69Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.98Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.4	Very high	97.7	Very high	32 Å²	32	52.6 Å²	52.6	21%	0.208	29%	0.289	C	S	.	.			trans	-62.1	114.8	-174.9	-25.1	35.7	0	0	0	111.7	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.93Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; S62-P67 WeakPolarHBondContact O-CG 3.3Å; A64-P67 VanDerWaalsContact O-CD 3.25Å; A64-P67 WeakPolarHBondContact O-CD 3.39Å; A64-P67 WeakPolarHBondContact O-CG 3.39Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 3.03Å
68	R	98.2	Very high	97.6	Very high	134 Å²	134	58.3 Å²	58.3	51%	0.506	32%	0.315	S	S	.	.			trans	-145.2	157.2	177.7	-65.4	-167.2	173.6	-147.8	-4.8	109.6	S66 T88	S66-R68 PolarHBondContact O-N 2.98Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.16Å
69	E	98.4	Very high	97.6	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.037	32%	0.318	C	S	.	.			trans	-68.1	131.8	165.5	-171.6	-178.6	-131.4	0	0	108.8	V58 R59 Y83 W84 N87 T88 Y91	V58-E69 HydrophobicContact CB-CG 3.93Å; V58-E69 WeakPolarHBondContact CB-OE1 2.94Å; V58-E69 HydrophobicContact CG1-CG 3.99Å; V58-E69 WeakPolarHBondContact CG1-OE1 3.04Å; R59-E69 WeakPolarHBondContact O-CA 3.43Å; E69-Y83 WeakPolarHBondContact OE2-CE1 3.49Å; E69-W84 HydrophobicContact CB-CE3 4.17Å; E69-W84 HydrophobicContact CB-CZ3 4.5Å; E69-W84 HydrophobicContact CG-CE3 4.07Å; E69-W84 HydrophobicContact CG-CZ3 3.93Å; E69-N87 HydrophobicContact CB-CB 4.49Å; E69-N87 WeakPolarHBondContact OE2-CB 3.33Å; E69-N87 PolarHBondContact OE2-ND2 2.82Å; E69-T88 PolarHBondContact N-OG1 2.79Å; E69-Y91 HydrophobicContact CB-CD2 4.12Å; E69-Y91 HydrophobicContact CB-CE2 3.84Å; E69-Y91 HydrophobicContact CG-CD2 4.44Å; E69-Y91 HydrophobicContact CG-CE2 3.68Å; E69-Y91 WeakPolarHBondContact OE1-CE2 3.5Å; E69-Y91 PolarHBondContact OE1-OH 2.87Å
70	E	98.4	Very high	97.5	Very high	77 Å²	77	56.3 Å²	56.3	36%	0.36	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.2	-178	-63.4	176.8	156.8	0	0	110.5	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.42Å; R59-E70 PolarHBondContact N-O 3Å; R59-E70 PolarHBondContact O-N 2.94Å; E70-R72 IonicContact OE2-CZ 3.73Å; E70-R72 IonicContact OE2-NH2 3.57Å; E70-R72 PolarHBondContact OE2-NH2 2.03Å
71	P	98.3	Very high	97.4	Very high	51 Å²	51	60.2 Å²	60.2	33%	0.331	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	144.6	174.4	28.2	-34.3	0	0	0	111.3	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.71Å; P71-E77 HydrophobicContact CB-CG 3.82Å; P71-E77 HydrophobicContact CG-CG 4.11Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 4.13Å; P71-W84 HydrophobicContact CB-CZ3 4.44Å; P71-W84 HydrophobicContact CG-CH2 4.25Å
72	R	97.8	Very high	97.4	Very high	115 Å²	115	66.2 Å²	66.2	43%	0.434	37%	0.37	S	S	.	.			trans	-128	-1.7	174.9	-59.7	-64.4	172.2	-178.7	-2.7	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; F57-R72 PolarHBondContact O-N 2.82Å; R59-R72 HydrophobicContact CB-CG 3.99Å; E70-R72 IonicContact OE2-CZ 3.73Å; E70-R72 IonicContact OE2-NH2 3.57Å; E70-R72 PolarHBondContact OE2-NH2 2.03Å
73	A	96.5	Very high	97.4	Very high	5 Å²	5	65.4 Å²	65.4	4%	0.041	36%	0.362	C	S	.	.	S	Bend	trans	-136	144.7	173.2	0	0	0	0	0	111.1	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 3.33Å; A73-I76 WeakPolarHBondContact O-CG2 3.42Å; A73-I76 PolarHBondContact O-N 3.09Å
74	P	96.8	Very high	97.4	Very high	105 Å²	105	64 Å²	64	68%	0.682	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-59.7	-35.7	-177.9	-26.3	34.9	0	0	0	114.2	I76 E77	P74-I76 PolarHBondContact O-N 2.88Å; P74-E77 WeakPolarHBondContact O-CB 3.48Å; P74-E77 PolarHBondContact O-N 2.76Å
75	W	96.6	Very high	97.5	Very high	19 Å²	19	66.2 Å²	66.2	7%	0.072	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-71.2	-15	-176.2	52.9	-106.8	0	0	0	114	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.46Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.96Å; F57-W75 HydrophobicContact CD1-CH2 4.02Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CZ3 4.03Å; F57-W75 AromaticContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 3.33Å; W75-Q78 WeakPolarHBondContact O-CG 3.3Å; W75-Q78 PolarHBondContact O-NE2 2.93Å; W75-Y195 HydrophobicContact CE3-CD1 4.44Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.65Å; W75-Y195 HydrophobicContact CZ3-CG 3.65Å; W75-L203 HydrophobicContact CD2-CD1 4.48Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.43Å
76	I	97.9	Very high	97.6	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-89.1	-19.6	174.3	-162.7	71	0	0	0	112	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.99Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.33Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.48Å; V58-I76 HydrophobicContact CG1-CG1 4.33Å; P71-I76 HydrophobicContact CB-CG2 3.71Å; A73-I76 WeakPolarHBondContact O-CG2 3.42Å; A73-I76 PolarHBondContact O-N 3.09Å; P74-I76 PolarHBondContact O-N 2.88Å; I76-Q78 PolarHBondContact O-N 2.74Å; I76-Q78 VanDerWaalsContact O-N 3.1Å; I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.49Å; I76-E79 WeakPolarHBondContact O-CG 3.46Å; I76-E79 PolarHBondContact O-N 2.8Å; I76-Y83 HydrophobicContact CD1-CE1 4.32Å; I76-Y83 HydrophobicContact CG1-CE1 4.31Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.21Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 WeakPolarHBondContact O-CZ2 3.19Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.28Å
77	E	96.9	Very high	97.7	Very high	126 Å²	126	65.8 Å²	65.8	59%	0.589	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.1	-177.1	-65.4	-179.7	-174	0	0	113.5	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.82Å; P71-E77 HydrophobicContact CG-CG 4.11Å; P74-E77 WeakPolarHBondContact O-CB 3.48Å; P74-E77 PolarHBondContact O-N 2.76Å; E77-E79 PolarHBondContact O-N 2.91Å
78	Q	96	Very high	97.7	Very high	119 Å²	119	64.5 Å²	64.5	56%	0.556	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.7	176.1	70.4	-173.5	-40.2	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.3Å; W75-Q78 PolarHBondContact O-NE2 2.93Å; I76-Q78 PolarHBondContact O-N 2.74Å; I76-Q78 VanDerWaalsContact O-N 3.1Å; Q78-N198 PolarHBondContact NE2-ND2 2.84Å
79	E	97.8	Very high	97.7	Very high	13 Å²	13	63.7 Å²	63.7	6%	0.061	32%	0.315	C	S	.	.	S	Bend	trans	-65.5	138.8	177.8	-66.8	-59.6	157.5	0	0	111.3	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.49Å; I76-E79 WeakPolarHBondContact O-CG 3.46Å; I76-E79 PolarHBondContact O-N 2.8Å; E77-E79 PolarHBondContact O-N 2.91Å; E79-Y83 HydrophobicContact CB-CD1 3.7Å; E79-Y83 HydrophobicContact CB-CD2 4.5Å; E79-Y83 HydrophobicContact CB-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.17Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.42Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 HydrophobicContact CB-CZ2 4.35Å; E79-W84 PolarHBondContact O-NE1 2.89Å; E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 3.48Å; E79-R194 IonicContact OE1-NE 3.38Å; E79-R194 PolarHBondContact OE1-NE 3.24Å; E79-R194 IonicContact OE1-NH2 3.62Å; E79-R194 PolarHBondContact OE1-NH2 2.93Å; E79-R194 VanDerWaalsContact OE1-NH2 3.11Å; E79-R194 IonicContact OE2-CZ 3.73Å; E79-R194 IonicContact OE2-NE 3.2Å; E79-R194 IonicContact OE2-NH2 3.72Å; E79-R194 PolarHBondContact OE2-NH2 2.88Å; E79-N198 PolarHBondContact OE1-ND2 3.12Å
80	G	97.2	Very high	97.7	Very high	28 Å²	28	67 Å²	67	29%	0.289	33%	0.333	S	S	.	.			trans	-69.7	165.8	-175.6	0	0	0	0	0	113.8	E82 Y83	G80-E82 PolarHBondContact O-N 2.91Å; G80-E82 VanDerWaalsContact O-N 3.14Å; G80-Y83 WeakPolarHBondContact O-CB 3.18Å; G80-Y83 PolarHBondContact O-N 2.79Å
81	P	97.6	Very high	97.7	Very high	84 Å²	84	63.6 Å²	63.6	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-57.1	-31	-179.8	24	-33.4	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.08Å; P81-W84 PolarHBondContact O-N 3.23Å; P81-D85 WeakPolarHBondContact O-CB 3.39Å; P81-D85 PolarHBondContact O-N 2.83Å
82	E	97.9	Very high	97.7	Very high	143 Å²	143	64.9 Å²	64.9	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-63	-33.9	178.3	-60.5	79.6	-173.2	0	0	112.6	G80 R86	G80-E82 PolarHBondContact O-N 2.91Å; G80-E82 VanDerWaalsContact O-N 3.14Å; E82-R86 WeakPolarHBondContact O-CB 3.44Å; E82-R86 PolarHBondContact O-N 3.26Å
83	Y	98.1	Very high	97.8	Very high	17 Å²	17	62.1 Å²	62.1	7%	0.067	32%	0.319	C	S	.	.	H	α-helix	trans	-64.2	-54.2	175.3	172.5	-92.1	0	0	0	110.3	E69 I76 E79 G80 P81 D85 R86 N87 W191 Y195	E69-Y83 WeakPolarHBondContact OE2-CE1 3.49Å; I76-Y83 HydrophobicContact CD1-CE1 4.32Å; I76-Y83 HydrophobicContact CG1-CE1 4.31Å; E79-Y83 HydrophobicContact CB-CD1 3.7Å; E79-Y83 HydrophobicContact CB-CD2 4.5Å; E79-Y83 HydrophobicContact CB-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.17Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.42Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.18Å; G80-Y83 PolarHBondContact O-N 2.79Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.08Å; Y83-D85 PolarHBondContact O-N 3.44Å; Y83-R86 PolarHBondContact O-N 3.15Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.31Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.3Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.49Å; Y83-N87 PolarHBondContact O-N 2.92Å; Y83-N87 PolarHBondContact OH-ND2 2.78Å; Y83-W191 AromaticContact CD2-CH2 3.34Å; Y83-W191 HydrophobicContact CD2-CH2 3.34Å; Y83-W191 HydrophobicContact CD2-CZ2 4.04Å; Y83-W191 AromaticContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CE3 4.17Å; Y83-W191 AromaticContact CE2-CH2 3.65Å; Y83-W191 HydrophobicContact CE2-CH2 3.65Å; Y83-W191 HydrophobicContact CE2-CZ2 4.26Å; Y83-W191 AromaticContact CE2-CZ3 3.58Å; Y83-W191 HydrophobicContact CE2-CZ3 3.58Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.25Å; Y83-Y195 PolarHBondContact OH-OH 2.79Å
84	W	98.4	Very high	97.8	Very high	41 Å²	41	64.2 Å²	64.2	16%	0.155	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-42.4	-177.5	-60.3	110.7	0	0	0	112.5	V58 E69 P71 I76 E79 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.29Å; V58-W84 HydrophobicContact CG1-CZ3 4Å; E69-W84 HydrophobicContact CB-CE3 4.17Å; E69-W84 HydrophobicContact CB-CZ3 4.5Å; E69-W84 HydrophobicContact CG-CE3 4.07Å; E69-W84 HydrophobicContact CG-CZ3 3.93Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 4.13Å; P71-W84 HydrophobicContact CB-CZ3 4.44Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.21Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 WeakPolarHBondContact O-CZ2 3.19Å; E79-W84 HydrophobicContact CB-CZ2 4.35Å; E79-W84 PolarHBondContact O-NE1 2.89Å; P81-W84 PolarHBondContact O-N 3.23Å; W84-T88 WeakPolarHBondContact O-CB 3.25Å; W84-T88 PolarHBondContact O-N 3.41Å; W84-T88 PolarHBondContact O-OG1 3.29Å
85	D	98.3	Very high	97.9	Very high	81 Å²	81	60 Å²	60	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-45.1	178.5	-78.4	-19.7	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.39Å; P81-D85 PolarHBondContact O-N 2.83Å; Y83-D85 PolarHBondContact O-N 3.44Å; D85-T88 PolarHBondContact O-N 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.19Å; D85-Q89 PolarHBondContact O-N 3Å; D85-Q89 VanDerWaalsContact O-N 3.1Å
86	R	98.2	Very high	98	Very high	160 Å²	160	64 Å²	64	60%	0.604	32%	0.321	S	S	*	.	H	α-helix	trans	-59.3	-52	177.6	178.6	180	177	179.2	-2	111.5	E82 Y83 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.44Å; E82-R86 PolarHBondContact O-N 3.26Å; Y83-R86 PolarHBondContact O-N 3.15Å; R86-T88 PolarHBondContact O-N 2.79Å; R86-Q89 PolarHBondContact O-N 2.98Å; R86-Q89 VanDerWaalsContact O-N 3.17Å; R86-I90 HydrophobicContact CG-CD1 4.11Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 2.88Å
87	N	98.1	Very high	98	Very high	24 Å²	24	67.3 Å²	67.3	13%	0.128	34%	0.342	C	S	.	.	H	α-helix	trans	-68.6	-36.4	-177.3	-69.2	-13.8	0	0	0	112.1	E69 Y83 Q89 I90 Y91	E69-N87 HydrophobicContact CB-CB 4.49Å; E69-N87 WeakPolarHBondContact OE2-CB 3.33Å; E69-N87 PolarHBondContact OE2-ND2 2.82Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.31Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.3Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.49Å; Y83-N87 PolarHBondContact O-N 2.92Å; Y83-N87 PolarHBondContact OH-ND2 2.78Å; N87-Q89 VanDerWaalsContact C-N 3.25Å; N87-Q89 PolarHBondContact O-N 2.99Å; N87-I90 WeakPolarHBondContact O-CB 3.33Å; N87-I90 PolarHBondContact O-N 2.66Å; N87-Y91 HydrophobicContact CB-CE2 4.08Å; N87-Y91 WeakPolarHBondContact O-CD2 3.19Å; N87-Y91 PolarHBondContact O-N 3.09Å
88	T	98.6	Very high	98	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-56.2	-41.3	171.4	-68.2	0	0	0	0	111.7	R68 E69 W84 D85 R86 K92	R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.16Å; E69-T88 PolarHBondContact N-OG1 2.79Å; W84-T88 WeakPolarHBondContact O-CB 3.25Å; W84-T88 PolarHBondContact O-N 3.41Å; W84-T88 PolarHBondContact O-OG1 3.29Å; D85-T88 PolarHBondContact O-N 3.3Å; R86-T88 PolarHBondContact O-N 2.79Å; T88-K92 HydrophobicContact CG2-CD 4.21Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.94Å; T88-K92 VanDerWaalsContact O-N 3.12Å
89	Q	98.5	Very high	98.1	Very high	116 Å²	116	59.1 Å²	59.1	54%	0.542	30%	0.3	S	S	.	.	H	α-helix	trans	-68.7	-38.4	175.3	-63.3	-53.1	-38.9	0	0	112.2	D85 R86 N87 K92 A93	D85-Q89 WeakPolarHBondContact O-CG 3.19Å; D85-Q89 PolarHBondContact O-N 3Å; D85-Q89 VanDerWaalsContact O-N 3.1Å; R86-Q89 PolarHBondContact O-N 2.98Å; R86-Q89 VanDerWaalsContact O-N 3.17Å; N87-Q89 VanDerWaalsContact C-N 3.25Å; N87-Q89 PolarHBondContact O-N 2.99Å; Q89-K92 PolarHBondContact O-N 3.31Å; Q89-A93 WeakPolarHBondContact O-CB 3.17Å; Q89-A93 PolarHBondContact O-N 3.33Å
90	I	98.2	Very high	98.1	Very high	77 Å²	77	64.1 Å²	64.1	40%	0.395	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-51.5	175.2	-68.7	168.9	0	0	0	110.4	R86 N87 K92 A93 Q94	R86-I90 HydrophobicContact CG-CD1 4.11Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 2.88Å; N87-I90 WeakPolarHBondContact O-CB 3.33Å; N87-I90 PolarHBondContact O-N 2.66Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 3.11Å; I90-A93 PolarHBondContact O-N 3.07Å; I90-A93 VanDerWaalsContact O-N 3.15Å; I90-Q94 PolarHBondContact O-N 3.5Å
91	Y	98.4	Very high	98.2	Very high	6 Å²	6	64.5 Å²	64.5	2%	0.024	32%	0.322	C	S	.	.	H	α-helix	trans	-65.1	-33.9	179.1	-62.5	-58.4	0	0	0	113.1	Y31 F46 S48 F60 E69 N87 Q94 A95	Y31-Y91 WeakPolarHBondContact CE1-OH 3.47Å; F46-Y91 HydrophobicContact CE1-CD1 4.22Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.3Å; F60-Y91 HydrophobicContact CB-CD1 4.46Å; F60-Y91 HydrophobicContact CB-CD2 3.8Å; F60-Y91 HydrophobicContact CB-CE2 4.29Å; F60-Y91 HydrophobicContact CB-CG 3.9Å; F60-Y91 HydrophobicContact CD1-CG 4.44Å; F60-Y91 AromaticContact CD2-CD2 3.89Å; F60-Y91 HydrophobicContact CD2-CD2 3.89Å; F60-Y91 HydrophobicContact CD2-CG 4.09Å; F60-Y91 AromaticContact CG-CD2 3.99Å; F60-Y91 HydrophobicContact CG-CD2 3.99Å; F60-Y91 AromaticContact CG-CG 3.9Å; F60-Y91 HydrophobicContact CG-CG 3.9Å; E69-Y91 HydrophobicContact CB-CD2 4.12Å; E69-Y91 HydrophobicContact CB-CE2 3.84Å; E69-Y91 HydrophobicContact CG-CD2 4.44Å; E69-Y91 HydrophobicContact CG-CE2 3.68Å; E69-Y91 WeakPolarHBondContact OE1-CE2 3.5Å; E69-Y91 PolarHBondContact OE1-OH 2.87Å; N87-Y91 HydrophobicContact CB-CE2 4.08Å; N87-Y91 WeakPolarHBondContact O-CD2 3.19Å; N87-Y91 PolarHBondContact O-N 3.09Å; Y91-Q94 PolarHBondContact O-N 3.42Å; Y91-A95 WeakPolarHBondContact O-CB 3.5Å; Y91-A95 PolarHBondContact O-N 2.82Å
92	K	98.4	Very high	98.2	Very high	79 Å²	79	60.9 Å²	60.9	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-40.6	173.6	-76.7	175.7	179.6	174.4	0	112	F60 P67 T88 Q89 I90 Q96	F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.03Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 3.03Å; T88-K92 HydrophobicContact CG2-CD 4.21Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.94Å; T88-K92 VanDerWaalsContact O-N 3.12Å; Q89-K92 PolarHBondContact O-N 3.31Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 3.11Å; K92-Q96 PolarHBondContact O-N 3.19Å
93	A	98.4	Very high	98.2	Very high	57 Å²	57	60.7 Å²	60.7	47%	0.471	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-41.4	174.9	0	0	0	0	0	111.6	Q89 I90 A95 Q96 T97	Q89-A93 WeakPolarHBondContact O-CB 3.17Å; Q89-A93 PolarHBondContact O-N 3.33Å; I90-A93 PolarHBondContact O-N 3.07Å; I90-A93 VanDerWaalsContact O-N 3.15Å; A93-A95 PolarHBondContact O-N 3.12Å; A93-Q96 PolarHBondContact O-N 2.76Å; A93-T97 PolarHBondContact O-N 3.01Å; A93-T97 PolarHBondContact O-OG1 3.23Å
94	Q	98.3	Very high	98.2	Very high	48 Å²	48	63.4 Å²	63.4	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-43.6	175.8	-168.6	59.8	45.6	0	0	111.2	F46 I90 Y91 Q96 T97 D98	F46-Q94 HydrophobicContact CE2-CB 4.3Å; F46-Q94 HydrophobicContact CE2-CG 3.79Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; I90-Q94 PolarHBondContact O-N 3.5Å; Y91-Q94 PolarHBondContact O-N 3.42Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.88Å; Q94-T97 CarbonylContact O-C 3.55Å; Q94-T97 WeakPolarHBondContact O-CA 3.18Å; Q94-T97 WeakPolarHBondContact O-CB 3.37Å; Q94-T97 PolarHBondContact O-N 2.63Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 WeakPolarHBondContact O-CB 3.39Å; Q94-D98 PolarHBondContact O-N 3.49Å
95	A	98.2	Very high	98.2	Very high	17 Å²	17	61.8 Å²	61.8	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-36.9	176.2	0	0	0	0	0	113	F46 Y91 A93 R99	F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.88Å; F46-A95 HydrophobicContact CD2-CB 4.19Å; F46-A95 HydrophobicContact CG-CB 3.65Å; Y91-A95 WeakPolarHBondContact O-CB 3.5Å; Y91-A95 PolarHBondContact O-N 2.82Å; A93-A95 PolarHBondContact O-N 3.12Å; A95-R99 WeakPolarHBondContact O-CB 3.45Å; A95-R99 PolarHBondContact O-N 2.84Å; A95-R99 VanDerWaalsContact O-N 3.11Å
96	Q	98.1	Very high	98.1	Very high	102 Å²	102	60.8 Å²	60.8	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-71.5	-40.2	173.5	-63.4	-50.6	-52.5	0	0	112.1	K92 A93 Q94 D98 R99 E100	K92-Q96 PolarHBondContact O-N 3.19Å; A93-Q96 PolarHBondContact O-N 2.76Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.88Å; Q96-D98 PolarHBondContact O-N 3.25Å; Q96-R99 WeakPolarHBondContact O-CB 3.35Å; Q96-R99 PolarHBondContact O-N 3.35Å; Q96-E100 PolarHBondContact O-N 2.83Å
97	T	98.1	Very high	98.1	Very high	70 Å²	70	55.3 Å²	55.3	43%	0.429	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-43.1	176.6	-57.1	0	0	0	0	111.5	A93 Q94 E100 S101	A93-T97 PolarHBondContact O-N 3.01Å; A93-T97 PolarHBondContact O-OG1 3.23Å; Q94-T97 CarbonylContact O-C 3.55Å; Q94-T97 WeakPolarHBondContact O-CA 3.18Å; Q94-T97 WeakPolarHBondContact O-CB 3.37Å; Q94-T97 PolarHBondContact O-N 2.63Å; T97-E100 PolarHBondContact O-N 3.44Å; T97-S101 WeakPolarHBondContact O-CB 3.48Å; T97-S101 PolarHBondContact O-N 3.07Å; T97-S101 PolarHBondContact O-OG 2.79Å
98	D	98.1	Very high	98.1	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.011	29%	0.288	C	S	.	.	H	α-helix	trans	-68.9	-35.7	178	-79.1	12.1	0	0	0	111.9	A35 F46 Q94 Q96 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.64Å; F46-D98 HydrophobicContact CD2-CB 4.4Å; F46-D98 VanDerWaalsContact CE2-OD2 3.27Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.46Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 WeakPolarHBondContact O-CB 3.39Å; Q94-D98 PolarHBondContact O-N 3.49Å; Q96-D98 PolarHBondContact O-N 3.25Å; D98-S101 PolarHBondContact O-N 3.47Å; D98-L102 WeakPolarHBondContact O-CB 3.18Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.37Å; D98-L102 PolarHBondContact O-N 3.16Å; D98-L119 HydrophobicContact CB-CD2 4.23Å
99	R	97.8	Very high	98	Very high	72 Å²	72	59.8 Å²	59.8	27%	0.272	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-45.1	172.3	174.6	-170.7	-179.1	-163.1	3.1	111.7	E43 P44 A95 Q96 R103	E43-R99 IonicContact OE1-CZ 2.76Å; E43-R99 VanDerWaalsContact OE1-CZ 3.31Å; E43-R99 IonicContact OE1-NE 2.81Å; E43-R99 IonicContact OE1-NH2 3.39Å; E43-R99 PolarHBondContact OE1-NH2 2.75Å; E43-R99 WeakPolarHBondContact OE2-CD 3.31Å; E43-R99 IonicContact OE2-CZ 3.85Å; E43-R99 IonicContact OE2-NE 3.23Å; E43-R99 PolarHBondContact OE2-NE 3.01Å; E43-R99 IonicContact OE2-NH1 2.71Å; E43-R99 IonicContact OE2-NH2 3.75Å; E43-R99 PolarHBondContact OE2-NH2 2.72Å; P44-R99 HydrophobicContact CG-CB 4.34Å; P44-R99 HydrophobicContact CG-CG 4.13Å; A95-R99 WeakPolarHBondContact O-CB 3.45Å; A95-R99 PolarHBondContact O-N 2.84Å; A95-R99 VanDerWaalsContact O-N 3.11Å; Q96-R99 WeakPolarHBondContact O-CB 3.35Å; Q96-R99 PolarHBondContact O-N 3.35Å; R99-R103 PolarHBondContact O-N 3.24Å
100	E	97.9	Very high	98	Very high	117 Å²	117	61.4 Å²	61.4	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-66.1	-40.5	174.9	-70.6	-176	-178.7	0	0	111.5	Q96 T97 R103 N104	Q96-E100 PolarHBondContact O-N 2.83Å; T97-E100 PolarHBondContact O-N 3.44Å; E100-R103 WeakPolarHBondContact O-CB 3.32Å; E100-R103 PolarHBondContact O-N 2.64Å; E100-R103 VanDerWaalsContact O-N 3.17Å; E100-N104 PolarHBondContact O-N 3.38Å; E100-N104 PolarHBondContact O-ND2 3.03Å
101	S	98.3	Very high	97.9	Very high	36 Å²	36	60.6 Å²	60.6	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-44.7	177.5	-61.5	0	0	0	0	111.8	T97 D98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.48Å; T97-S101 PolarHBondContact O-N 3.07Å; T97-S101 PolarHBondContact O-OG 2.79Å; D98-S101 PolarHBondContact O-N 3.47Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.91Å; S101-N104 PolarHBondContact O-N 3.35Å; S101-N104 VanDerWaalsContact O-N 3.13Å; S101-L105 WeakPolarHBondContact O-CB 3.46Å; S101-L105 WeakPolarHBondContact O-CD1 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.22Å; S101-L105 PolarHBondContact O-N 3.39Å
102	L	98.4	Very high	97.8	Very high	9 Å²	9	64.2 Å²	64.2	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-40.2	173.5	-76.8	167.9	0	0	0	112	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.9Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.88Å; D98-L102 WeakPolarHBondContact O-CB 3.18Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.37Å; D98-L102 PolarHBondContact O-N 3.16Å; L102-R106 WeakPolarHBondContact O-CB 3.41Å; L102-R106 PolarHBondContact O-N 2.92Å; L102-R106 VanDerWaalsContact O-N 3.09Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.11Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	97.1	Very high	97.5	Very high	139 Å²	139	66.9 Å²	66.9	53%	0.525	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-43.8	175.6	-173.9	-173.6	-65.3	154.1	1.2	111.6	R99 E100 S101 G107	R99-R103 PolarHBondContact O-N 3.24Å; E100-R103 WeakPolarHBondContact O-CB 3.32Å; E100-R103 PolarHBondContact O-N 2.64Å; E100-R103 VanDerWaalsContact O-N 3.17Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.91Å; R103-G107 PolarHBondContact O-N 3.43Å
104	N	97.8	Very high	97.2	Very high	73 Å²	73	68.2 Å²	68.2	39%	0.39	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-47.2	179.2	-69.5	-27	0	0	0	111.6	E100 S101 G107 Y108	E100-N104 PolarHBondContact O-N 3.38Å; E100-N104 PolarHBondContact O-ND2 3.03Å; S101-N104 PolarHBondContact O-N 3.35Å; S101-N104 VanDerWaalsContact O-N 3.13Å; N104-G107 CarbonylContact O-C 3.55Å; N104-G107 WeakPolarHBondContact O-CA 3.12Å; N104-G107 PolarHBondContact O-N 2.94Å; N104-G107 VanDerWaalsContact O-N 3.07Å; N104-Y108 HydrophobicContact CB-CE2 4.36Å; N104-Y108 WeakPolarHBondContact O-CD1 3.48Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 2.9Å
105	L	98.3	Very high	97	Very high	7 Å²	7	67.1 Å²	67.1	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-59.6	-48.1	179.2	-71.5	163.8	0	0	0	111.1	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.46Å; S101-L105 WeakPolarHBondContact O-CD1 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.22Å; S101-L105 PolarHBondContact O-N 3.39Å; L105-G107 PolarHBondContact O-N 2.99Å; L105-Y108 PolarHBondContact O-N 3.44Å; L105-Y108 VanDerWaalsContact O-N 3.09Å; L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 2.74Å; L105-L119 HydrophobicContact CD1-CD1 3.89Å; L105-L119 HydrophobicContact CD1-CD2 4.29Å; L105-Y142 HydrophobicContact CB-CD1 4.43Å; L105-Y142 HydrophobicContact CB-CD2 4.12Å; L105-Y142 HydrophobicContact CB-CE1 4.1Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.55Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CD2-CG 4.48Å; L105-Y142 HydrophobicContact CG-CD2 4.32Å; L105-Y142 HydrophobicContact CG-CE2 4.39Å; L105-Y147 HydrophobicContact CD2-CD1 4.36Å; L105-Y147 HydrophobicContact CD2-CD2 4.01Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.4Å; L105-Y147 HydrophobicContact CD2-CG 4.45Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å
106	R	97.4	Very high	96.9	Very high	60 Å²	60	70.4 Å²	70.4	23%	0.226	38%	0.381	C	S	.	.	H	α-helix	trans	-53.3	-41.8	173.5	-173	-173.3	66.4	179.8	10.4	112	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.41Å; L102-R106 PolarHBondContact O-N 2.92Å; L102-R106 VanDerWaalsContact O-N 3.09Å; R106-N110 PolarHBondContact O-N 3.45Å; R106-N110 VanDerWaalsContact O-N 3.17Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.37Å; R106-Q111 PolarHBondContact O-N 3.03Å; R106-E113 IonicContact CZ-OE1 3.7Å; R106-E113 IonicContact NH1-OE1 3.87Å; R106-E113 IonicContact NH2-OE1 2.9Å; R106-E113 PolarHBondContact NH2-OE1 3.37Å
107	G	97.3	Very high	96.9	Very high	45 Å²	45	66.3 Å²	66.3	46%	0.464	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-47.5	175.2	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.43Å; N104-G107 CarbonylContact O-C 3.55Å; N104-G107 WeakPolarHBondContact O-CA 3.12Å; N104-G107 PolarHBondContact O-N 2.94Å; N104-G107 VanDerWaalsContact O-N 3.07Å; L105-G107 PolarHBondContact O-N 2.99Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.26Å; G107-N110 VanDerWaalsContact O-N 3.1Å
108	Y	98	Very high	97	Very high	54 Å²	54	64.9 Å²	64.9	21%	0.212	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-36.5	179.4	-61.4	-20.8	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.36Å; N104-Y108 WeakPolarHBondContact O-CD1 3.48Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 2.9Å; L105-Y108 PolarHBondContact O-N 3.44Å; L105-Y108 VanDerWaalsContact O-N 3.09Å; Y108-I166 HydrophobicContact CD1-CD1 4.08Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.4Å; Y108-I166 HydrophobicContact CE2-CG2 4.22Å; Y108-I166 HydrophobicContact CG-CD1 4.22Å; Y108-K170 PolarHBondContact OH-NZ 3.13Å
109	Y	98	Very high	97	Very high	69 Å²	69	65 Å²	65	27%	0.271	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.6	178.4	-69.3	-69.5	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 2.74Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.15Å; Y109-Q111 PolarHBondContact O-N 2.97Å; Y109-Y142 AromaticContact CD2-CD1 3.79Å; Y109-Y142 HydrophobicContact CD2-CD1 3.79Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.56Å; Y109-Y142 HydrophobicContact CE2-CD1 3.56Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CG-CE1 4.49Å; Y109-Y147 HydrophobicContact CE2-CD2 4.45Å; Y109-Y147 HydrophobicContact CE2-CE2 4.19Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.06Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 3.35Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.49Å
110	N	97.1	Very high	97	Very high	151 Å²	151	65.2 Å²	65.2	81%	0.807	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.5	-177.1	-56.7	-63.6	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 3.45Å; R106-N110 VanDerWaalsContact O-N 3.17Å; G107-N110 PolarHBondContact O-N 3.26Å; G107-N110 VanDerWaalsContact O-N 3.1Å
111	Q	97.3	Very high	97.1	Very high	59 Å²	59	59.9 Å²	59.9	28%	0.276	33%	0.334	S	S	.	.			trans	-85.9	152.5	-176.7	-71	169.5	-32.7	0	0	111.8	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.37Å; R106-Q111 PolarHBondContact O-N 3.03Å; Y109-Q111 PolarHBondContact O-N 2.97Å; Q111-H117 PolarHBondContact NE2-CE1 3.29Å; Q111-H117 PolarHBondContact OE1-CE1 3.36Å; Q111-H117 PolarHBondContact OE1-ND1 2.83Å; Q111-Y142 PolarHBondContact OE1-OH 3.34Å; Q111-D143 PolarHBondContact NE2-OD2 2.85Å
112	S	95.3	Very high	97.1	Very high	82 Å²	82	59.3 Å²	59.3	57%	0.573	33%	0.328	S	S	*	.			trans	-68.7	146.6	178.8	176.8	0	0	0	0	112.3	A114 G115	S112-A114 PolarHBondContact O-N 2.83Å; S112-A114 PolarHBondContact OG-N 3.12Å; S112-G115 PolarHBondContact O-N 3.34Å
113	E	92.4	Very high	97.1	Very high	135 Å²	135	60.9 Å²	60.9	63%	0.631	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.1	174.9	-55.7	-154.6	128.3	0	0	114	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; R106-E113 IonicContact CZ-OE1 3.7Å; R106-E113 IonicContact NH1-OE1 3.87Å; R106-E113 IonicContact NH2-OE1 2.9Å; R106-E113 PolarHBondContact NH2-OE1 3.37Å; E113-G115 VanDerWaalsContact C-N 3.29Å
114	A	92.8	Very high	97.2	Very high	85 Å²	85	54.3 Å²	54.3	70%	0.702	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-13	178	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 2.83Å; S112-A114 PolarHBondContact OG-N 3.12Å
115	G	93.3	Very high	97.2	Very high	26 Å²	26	50.8 Å²	50.8	27%	0.268	29%	0.29	S	S	.	.			trans	-75.6	135.3	-179.4	0	0	0	0	0	112.9	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.44Å; S112-G115 PolarHBondContact O-N 3.34Å; E113-G115 VanDerWaalsContact C-N 3.29Å; G115-H117 PolarHBondContact O-CD2 3.3Å; G115-H117 VanDerWaalsContact O-CD2 3.28Å
116	S	96.7	Very high	97.2	Very high	85 Å²	85	51.9 Å²	51.9	59%	0.594	30%	0.296	S	S	*	.			trans	-81.3	133.3	165.6	-164.4	0	0	0	0	108.3	S37	S37-S116 PolarHBondContact O-OG 3.04Å
117	H	98.3	Very high	97.2	Very high	16 Å²	16	49.1 Å²	49.1	7%	0.074	29%	0.285	C	S	.	.			trans	-133.9	151.4	-176.8	-64.7	-71.2	0	0	0	110.6	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.35Å; S37-H117 PolarHBondContact OG-N 3.32Å; S37-H117 PolarHBondContact OG-O 2.81Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; Q111-H117 PolarHBondContact NE2-CE1 3.29Å; Q111-H117 PolarHBondContact OE1-CE1 3.36Å; Q111-H117 PolarHBondContact OE1-ND1 2.83Å; G115-H117 PolarHBondContact O-CD2 3.3Å; G115-H117 VanDerWaalsContact O-CD2 3.28Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.41Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.89Å; H117-Y142 PolarHBondContact ND1-OH 3.22Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.47Å; H117-D143 IonicContact CE1-OD2 3.61Å; H117-D143 IonicContact CG-OD1 2.74Å; H117-D143 IonicContact CG-OD2 3.02Å; H117-D143 IonicContact ND1-OD1 3.43Å; H117-D143 PolarHBondContact ND1-OD1 2.81Å; H117-D143 IonicContact ND1-OD2 3.35Å; H117-D143 PolarHBondContact ND1-OD2 2.71Å
118	T	98.7	Very high	97.1	Very high	40 Å²	40	47.1 Å²	47.1	25%	0.245	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.5	-177.4	-54.9	0	0	0	0	110	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.94Å; A35-T118 WeakPolarHBondContact O-CA 3.32Å; M36-T118 HydrophobicContact CG-CG2 4.1Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 CarbonylContact O-C 3.54Å; T118-Y142 WeakPolarHBondContact O-CA 3.24Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.33Å; T118-D143 PolarHBondContact N-OD1 3.4Å; T118-D143 PolarHBondContact O-N 3.15Å
119	L	98.8	Very high	96.8	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.4	168	175.1	62.5	0	0	0	107.9	T34 A35 D98 L102 L105 Y140	T34-L119 WeakPolarHBondContact CA-O 3.44Å; A35-L119 HydrophobicContact CB-CB 4.42Å; A35-L119 PolarHBondContact N-O 2.69Å; A35-L119 PolarHBondContact O-N 2.65Å; D98-L119 HydrophobicContact CB-CD2 4.23Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.11Å; L105-L119 HydrophobicContact CD1-CD1 3.89Å; L105-L119 HydrophobicContact CD1-CD2 4.29Å; L119-Y140 HydrophobicContact CD1-CD1 4.36Å
120	Q	98.8	Very high	96.5	Very high	76 Å²	76	51 Å²	51	36%	0.355	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.6	177.1	-59.7	176.5	-95.2	0	0	109	D33 T34 T118 Y140 A141	D33-Q120 VanDerWaalsContact O-CA 3.3Å; D33-Q120 WeakPolarHBondContact O-CA 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.2Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-Y140 CarbonylContact O-C 3.58Å; Q120-Y140 VanDerWaalsContact O-CA 3.23Å; Q120-Y140 WeakPolarHBondContact O-CA 3.34Å; Q120-A141 HydrophobicContact CB-CB 4.42Å; Q120-A141 PolarHBondContact N-O 2.89Å; Q120-A141 PolarHBondContact O-N 3.13Å
121	S	98.5	Very high	96.3	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.4	169.6	73.2	0	0	0	0	109.9	F32 D33 Q139 Y140	F32-S121 WeakPolarHBondContact CA-O 3.36Å; D33-S121 WeakPolarHBondContact CB-OG 3.42Å; D33-S121 PolarHBondContact N-O 3.38Å; D33-S121 PolarHBondContact O-N 3.2Å; D33-S121 PolarHBondContact OD2-OG 3.16Å; S121-Q139 CarbonylContact C-O 3.48Å; S121-Q139 VanDerWaalsContact CA-O 3.31Å; S121-Q139 WeakPolarHBondContact CA-O 3.38Å; S121-Y140 VanDerWaalsContact CB-CE1 3.47Å
122	M	98.6	Very high	96.2	Very high	24 Å²	24	49.6 Å²	49.6	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.5	167.3	-175.4	-78.4	-71.6	0	0	108.3	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.48Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.21Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 4.07Å; M122-H137 HydrophobicContact CE-CB 3.98Å; M122-H137 HydrophobicContact SD-CB 4.05Å; M122-N138 WeakPolarHBondContact O-CA 3.29Å; M122-Q139 HydrophobicContact CB-CG 4.12Å; M122-Q139 HydrophobicContact CE-CG 3.93Å; M122-Q139 VanDerWaalsContact CE-OE1 3.3Å; M122-Q139 PolarHBondContact N-O 3.15Å; M122-Q139 PolarHBondContact O-N 3.45Å
123	Y	98.7	Very high	96.3	Very high	42 Å²	42	48.2 Å²	48.2	17%	0.165	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.9	175.3	64.7	-87	0	0	0	111.1	R30 Y31 H137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.11Å; Y31-Y123 HydrophobicContact CD2-CD2 4.24Å; Y31-Y123 AromaticContact CD2-CE2 3.58Å; Y31-Y123 HydrophobicContact CD2-CE2 3.58Å; Y31-Y123 AromaticContact CD2-CZ 4Å; Y31-Y123 HydrophobicContact CE2-CE2 4.42Å; Y31-Y123 HydrophobicContact CG-CE1 4.48Å; Y31-Y123 AromaticContact CG-CE2 3.86Å; Y31-Y123 HydrophobicContact CG-CE2 3.86Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 3.04Å; Y31-Y123 PolarHBondContact O-N 3.43Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å; Y123-H137 CarbonylContact C-O 3.54Å; Y123-H137 WeakPolarHBondContact CA-O 3.33Å; Y123-H137 WeakPolarHBondContact CB-O 3.28Å; Y123-Y183 AromaticContact CD2-CE1 3.97Å; Y123-Y183 HydrophobicContact CD2-CE1 3.97Å; Y123-Y183 HydrophobicContact CE2-CE1 4.16Å
124	G	98.6	Very high	96.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-177	-178.4	0	0	0	0	0	114.2	M29 G136 H137 L184	M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; G124-G136 CarbonylContact O-C 3.56Å; G124-H137 PolarHBondContact N-O 2.91Å; G124-H137 PolarHBondContact O-N 2.86Å; G124-L184 WeakPolarHBondContact O-CD2 3.17Å
125	C	98.7	Very high	96.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.4	-173.5	52.6	0	0	0	0	111.2	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.37Å; M29-C125 PolarHBondContact N-O 3.22Å; M29-C125 PolarHBondContact O-N 3.48Å; C125-L133 HydrophobicContact CB-CD1 3.61Å; C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.23Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.29Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.99Å; C125-V189 HydrophobicContact CB-CG2 4.39Å
126	D	98.3	Very high	97	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.16	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.7	172.4	-52.8	-27.9	0	0	0	108.2	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.49Å; H27-D126 WeakPolarHBondContact O-CA 3.05Å; S28-D126 WeakPolarHBondContact CB-OD1 3.03Å; R30-D126 IonicContact CZ-OD1 3.83Å; R30-D126 IonicContact NE-OD1 2.9Å; R30-D126 PolarHBondContact NE-OD1 2.61Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.93Å; R30-D126 PolarHBondContact NH2-OD1 3.18Å; R30-D126 IonicContact NH2-OD2 3.11Å; R30-D126 PolarHBondContact NH2-OD2 3.05Å; R30-D126 VanDerWaalsContact NH2-OD2 3.12Å; D126-L134 HydrophobicContact CB-CB 4.44Å; D126-L134 PolarHBondContact O-N 3.44Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 2.76Å; D126-R135 PolarHBondContact O-N 2.86Å; D126-H137 IonicContact OD1-NE2 2.69Å; D126-H137 IonicContact OD2-CD2 3.66Å; D126-H137 IonicContact OD2-CE1 3.88Å; D126-H137 IonicContact OD2-NE2 2.82Å; D126-H137 PolarHBondContact OD2-NE2 2.85Å
127	V	97.6	Very high	97.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146	178.9	-60.5	0	0	0	0	111.1	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.39Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.86Å; H27-V127 PolarHBondContact O-N 2.9Å; V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.4Å; V127-R132 WeakPolarHBondContact CB-O 3.19Å; V127-V189 HydrophobicContact CG1-CB 4.45Å; V127-V189 HydrophobicContact CG1-CG1 4.05Å; V127-V189 HydrophobicContact CG1-CG2 4Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.19Å
128	G	95	Very high	97.1	Very high	4 Å²	4	43.8 Å²	43.8	4%	0.041	22%	0.219	C	C	.	.			trans	-79.7	-179.5	173.5	0	0	0	0	0	112.3	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.59Å; G128-D130 PolarHBondContact O-N 3.32Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.44Å; G128-G131 PolarHBondContact O-N 2.04Å; G128-R132 PolarHBondContact N-O 3.03Å
129	P	92.2	Very high	97.1	Very high	108 Å²	108	45.2 Å²	45.2	70%	0.701	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.6	177.3	-22.3	31.7	0	0	0	114.1	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.26Å; G25-P129 WeakPolarHBondContact O-CA 3.32Å; G25-P129 WeakPolarHBondContact O-CG 3.31Å; P129-G131 PolarHBondContact O-N 3.29Å
130	D	91.8	Very high	97.1	Very high	95 Å²	95	46.9 Å²	46.9	51%	0.508	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.8	173.9	70.6	-10.5	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.32Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 3.44Å; D130-R132 WeakPolarHBondContact OD1-CB 3.38Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 WeakPolarHBondContact OD2-CG 3.33Å; D130-R132 IonicContact OD2-CZ 3.8Å; D130-R132 IonicContact OD2-NE 3.72Å; D130-R132 PolarHBondContact OD2-NE 2.74Å; D130-R132 IonicContact OD2-NH1 3.5Å
131	G	92.5	Very high	97.1	Very high	13 Å²	13	44.1 Å²	44.1	13%	0.134	22%	0.219	C	C	.	.	S	Bend	trans	71.9	4.3	-177.5	0	0	0	0	0	114.2	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.44Å; G128-G131 PolarHBondContact O-N 2.04Å; P129-G131 PolarHBondContact O-N 3.29Å; G131-V189 WeakPolarHBondContact O-CG1 3.47Å; G131-R193 VanDerWaalsContact C-NH2 3.28Å; G131-R193 PolarHBondContact O-NE 3.38Å; G131-R193 PolarHBondContact O-NH2 2.88Å
132	R	95.5	Very high	97.1	Very high	169 Å²	169	44.3 Å²	44.3	64%	0.638	22%	0.219	S	C	*	.			trans	-79.8	148.6	-179.2	-64	-174.7	-176.5	158.9	-3	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.4Å; V127-R132 WeakPolarHBondContact CB-O 3.19Å; G128-R132 PolarHBondContact N-O 3.03Å; D130-R132 PolarHBondContact O-N 3.44Å; D130-R132 WeakPolarHBondContact OD1-CB 3.38Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 WeakPolarHBondContact OD2-CG 3.33Å; D130-R132 IonicContact OD2-CZ 3.8Å; D130-R132 IonicContact OD2-NE 3.72Å; D130-R132 PolarHBondContact OD2-NE 2.74Å; D130-R132 IonicContact OD2-NH1 3.5Å; R132-L134 PolarHBondContact O-N 2.92Å
133	L	97.6	Very high	97.1	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.277	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	124	175.9	-174.5	72.7	0	0	0	110.3	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.61Å; L133-R135 WeakPolarHBondContact CD1-O 3.32Å; L133-L154 HydrophobicContact CD2-CD1 4.19Å; L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 3.83Å
134	L	97.2	Very high	97	Very high	116 Å²	116	47 Å²	47	61%	0.607	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	-45.3	167.9	-63.3	178.1	0	0	0	110.5	D126 R132	D126-L134 HydrophobicContact CB-CB 4.44Å; D126-L134 PolarHBondContact O-N 3.44Å; R132-L134 PolarHBondContact O-N 2.92Å
135	R	97.1	Very high	97	Very high	104 Å²	104	54.8 Å²	54.8	39%	0.392	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	140.2	-175.6	-172.3	173.1	176.8	136.6	9.2	111.4	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.23Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 2.76Å; D126-R135 PolarHBondContact O-N 2.86Å; L133-R135 WeakPolarHBondContact CD1-O 3.32Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 3.16Å; R135-E152 IonicContact CZ-OE1 3.38Å; R135-E152 IonicContact NH1-OE1 2.8Å; R135-E152 PolarHBondContact NH1-OE1 3.45Å; R135-E152 IonicContact NH2-OE1 3.64Å; R135-E152 PolarHBondContact NH2-OE1 3.29Å
136	G	98.2	Very high	97	Very high	4 Å²	4	60.6 Å²	60.6	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	149.8	168.2	0	0	0	0	0	110.7	G124	G124-G136 CarbonylContact O-C 3.56Å
137	H	98.2	Very high	97.1	Very high	21 Å²	21	59.6 Å²	59.6	10%	0.097	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.8	-179.3	-53.6	-95.5	0	0	0	109.6	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.33Å; R30-H137 VanDerWaalsContact NH2-NE2 3.15Å; M122-H137 HydrophobicContact CE-CB 3.98Å; M122-H137 HydrophobicContact SD-CB 4.05Å; Y123-H137 CarbonylContact C-O 3.54Å; Y123-H137 WeakPolarHBondContact CA-O 3.33Å; Y123-H137 WeakPolarHBondContact CB-O 3.28Å; G124-H137 PolarHBondContact N-O 2.91Å; G124-H137 PolarHBondContact O-N 2.86Å; D126-H137 IonicContact OD1-NE2 2.69Å; D126-H137 IonicContact OD2-CD2 3.66Å; D126-H137 IonicContact OD2-CE1 3.88Å; D126-H137 IonicContact OD2-NE2 2.82Å; D126-H137 PolarHBondContact OD2-NE2 2.85Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 3.16Å
138	N	98.6	Very high	97.1	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.043	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	109.9	162.1	-173.9	14.8	0	0	0	108.4	M122 Y140 L150 D180	M122-N138 WeakPolarHBondContact O-CA 3.29Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.25Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.47Å; N138-L150 HydrophobicContact CB-CB 4.05Å; N138-L150 HydrophobicContact CB-CD2 4.15Å; N138-L150 WeakPolarHBondContact O-CB 3.41Å; N138-L150 PolarHBondContact O-N 3.47Å; N138-D180 PolarHBondContact ND2-OD2 3.4Å
139	Q	98.6	Very high	97.3	Very high	71 Å²	71	61.1 Å²	61.1	33%	0.332	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.3	-174.8	62.4	-174	78.8	0	0	112.1	S121 M122 I148 A149	S121-Q139 CarbonylContact C-O 3.48Å; S121-Q139 VanDerWaalsContact CA-O 3.31Å; S121-Q139 WeakPolarHBondContact CA-O 3.38Å; M122-Q139 HydrophobicContact CB-CG 4.12Å; M122-Q139 HydrophobicContact CE-CG 3.93Å; M122-Q139 VanDerWaalsContact CE-OE1 3.3Å; M122-Q139 PolarHBondContact N-O 3.15Å; M122-Q139 PolarHBondContact O-N 3.45Å; Q139-I148 WeakPolarHBondContact CA-O 3.29Å; Q139-A149 HydrophobicContact CB-CB 3.87Å
140	Y	98.8	Very high	97.6	Very high	40 Å²	40	56.7 Å²	56.7	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.5	-177.2	-61.5	-100.6	0	0	0	110.8	L119 Q120 S121 N138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 4.36Å; Q120-Y140 CarbonylContact O-C 3.58Å; Q120-Y140 VanDerWaalsContact O-CA 3.23Å; Q120-Y140 WeakPolarHBondContact O-CA 3.34Å; S121-Y140 VanDerWaalsContact CB-CE1 3.47Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.25Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.47Å; Y140-Y147 WeakPolarHBondContact O-CB 3.46Å; Y140-Y147 PolarHBondContact O-N 2.96Å; Y140-I148 HydrophobicContact CD2-CG2 3.99Å; Y140-I148 HydrophobicContact CG-CG2 4.44Å; Y140-I148 PolarHBondContact N-O 2.95Å; Y140-I148 PolarHBondContact O-N 2.95Å; Y140-W171 AromaticContact CD2-CH2 3.74Å; Y140-W171 HydrophobicContact CD2-CH2 3.74Å; Y140-W171 HydrophobicContact CD2-CZ3 4.16Å; Y140-W171 AromaticContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CZ2 4.5Å; Y140-W171 AromaticContact CE2-CZ3 3.9Å; Y140-W171 HydrophobicContact CE2-CZ3 3.9Å; Y140-W171 HydrophobicContact CG-CH2 4.5Å; Y140-W171 AromaticContact CZ-CH2 3.86Å
141	A	98.9	Very high	97.9	Very high	17 Å²	17	54.2 Å²	54.2	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.2	172.8	0	0	0	0	0	110.6	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.42Å; Q120-A141 PolarHBondContact N-O 2.89Å; Q120-A141 PolarHBondContact O-N 3.13Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.32Å; A141-K145 VanDerWaalsContact CB-O 3.3Å; A141-K145 WeakPolarHBondContact CB-O 3.35Å
142	Y	98.8	Very high	98.2	Very high	10 Å²	10	60.1 Å²	60.1	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.6	177	-175.4	-116.1	0	0	0	110.1	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.43Å; L105-Y142 HydrophobicContact CB-CD2 4.12Å; L105-Y142 HydrophobicContact CB-CE1 4.1Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.55Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CD2-CG 4.48Å; L105-Y142 HydrophobicContact CG-CD2 4.32Å; L105-Y142 HydrophobicContact CG-CE2 4.39Å; Y109-Y142 AromaticContact CD2-CD1 3.79Å; Y109-Y142 HydrophobicContact CD2-CD1 3.79Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.56Å; Y109-Y142 HydrophobicContact CE2-CD1 3.56Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CG-CE1 4.49Å; Q111-Y142 PolarHBondContact OE1-OH 3.34Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.41Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.89Å; H117-Y142 PolarHBondContact ND1-OH 3.22Å; T118-Y142 CarbonylContact O-C 3.54Å; T118-Y142 WeakPolarHBondContact O-CA 3.24Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.33Å; Y142-G144 PolarHBondContact O-N 3.23Å; Y142-K145 PolarHBondContact N-O 3.39Å; Y142-K145 PolarHBondContact O-N 2.79Å; Y142-K145 VanDerWaalsContact O-N 3.08Å
143	D	98.3	Very high	98.3	Very high	63 Å²	63	55.8 Å²	55.8	34%	0.337	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.5	-174.6	-65.8	-23	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.85Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.47Å; H117-D143 IonicContact CE1-OD2 3.61Å; H117-D143 IonicContact CG-OD1 2.74Å; H117-D143 IonicContact CG-OD2 3.02Å; H117-D143 IonicContact ND1-OD1 3.43Å; H117-D143 PolarHBondContact ND1-OD1 2.81Å; H117-D143 IonicContact ND1-OD2 3.35Å; H117-D143 PolarHBondContact ND1-OD2 2.71Å; T118-D143 PolarHBondContact N-OD1 3.4Å; T118-D143 PolarHBondContact O-N 3.15Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 2.84Å
144	G	97.4	Very high	98.3	Very high	60 Å²	60	53.7 Å²	53.7	62%	0.619	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	10.1	177.8	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.23Å
145	K	98.5	Very high	98.3	Very high	163 Å²	163	56.1 Å²	56.1	71%	0.709	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.4	176.4	-62.2	179.5	-176.7	177	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.32Å; A141-K145 VanDerWaalsContact CB-O 3.3Å; A141-K145 WeakPolarHBondContact CB-O 3.35Å; Y142-K145 PolarHBondContact N-O 3.39Å; Y142-K145 PolarHBondContact O-N 2.79Å; Y142-K145 VanDerWaalsContact O-N 3.08Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 2.84Å; K145-Y147 PolarHBondContact O-N 3.48Å
146	D	98.6	Very high	98.4	Very high	123 Å²	123	53.1 Å²	53.1	66%	0.658	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.8	134.2	173.5	-65.7	-39.6	0	0	0	110.7	A160	D146-A160 WeakPolarHBondContact O-CB 3.39Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-63	-179.1	178.5	-109.3	0	0	0	110.7	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.36Å; L105-Y147 HydrophobicContact CD2-CD2 4.01Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.4Å; L105-Y147 HydrophobicContact CD2-CG 4.45Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.45Å; Y109-Y147 HydrophobicContact CE2-CE2 4.19Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y140-Y147 WeakPolarHBondContact O-CB 3.46Å; Y140-Y147 PolarHBondContact O-N 2.96Å; K145-Y147 PolarHBondContact O-N 3.48Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 2.9Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 2.86Å; Y147-A163 VanDerWaalsContact OH-O 3.13Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.4Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.42Å; Y147-T167 PolarHBondContact OH-OG1 3.08Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141.6	178.4	-160.5	172.8	0	0	0	110.3	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.29Å; Y140-I148 HydrophobicContact CD2-CG2 3.99Å; Y140-I148 HydrophobicContact CG-CG2 4.44Å; Y140-I148 PolarHBondContact N-O 2.95Å; Y140-I148 PolarHBondContact O-N 2.95Å; I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.2Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; I148-T158 WeakPolarHBondContact CA-O 3.47Å; I148-T167 HydrophobicContact CD1-CG2 4.23Å; I148-Q168 HydrophobicContact CD1-CB 3.91Å; I148-W171 HydrophobicContact CD1-CE3 4.17Å; I148-W171 HydrophobicContact CD1-CZ3 4.39Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.74Å
149	A	98.8	Very high	98.4	Very high	33 Å²	33	57 Å²	57	27%	0.273	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.8	179	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.87Å; A149-W157 WeakPolarHBondContact O-CA 3.22Å; A149-T158 PolarHBondContact N-O 3.34Å; A149-T158 PolarHBondContact O-N 3.39Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	56.4 Å²	56.4	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.5	168.9	-175.1	65.4	0	0	0	108.4	N138 L154 W157 A177 D180 L184	N138-L150 HydrophobicContact CB-CB 4.05Å; N138-L150 HydrophobicContact CB-CD2 4.15Å; N138-L150 WeakPolarHBondContact O-CB 3.41Å; N138-L150 PolarHBondContact O-N 3.47Å; L150-L154 HydrophobicContact CD2-CB 4.46Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 4.03Å; L150-W157 HydrophobicContact CB-CH2 4Å; L150-W157 HydrophobicContact CB-CZ3 3.63Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.34Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.26Å; L150-W157 HydrophobicContact CG-CH2 4.49Å; L150-A177 HydrophobicContact CD1-CB 3.89Å; L150-D180 HydrophobicContact CD2-CB 4.05Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.4	Very high	43 Å²	43	57.1 Å²	57.1	23%	0.23	32%	0.318	C	S	.	.			trans	-71.5	162.7	-179.7	-67.2	-29.6	0	0	0	111.1	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.92Å; N151-L154 WeakPolarHBondContact O-CA 3.36Å; N151-L154 PolarHBondContact O-N 3.31Å; N151-S156 WeakPolarHBondContact CB-O 3.42Å; N151-S156 PolarHBondContact N-O 2.94Å; N151-S156 PolarHBondContact ND2-O 3.31Å; N151-S156 PolarHBondContact ND2-OG 3.49Å; N151-T158 PolarHBondContact ND2-OG1 3.31Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
152	E	97.7	Very high	98.4	Very high	137 Å²	137	61.6 Å²	61.6	64%	0.64	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.4	179.9	-67.7	179.7	-172.6	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.38Å; R135-E152 IonicContact NH1-OE1 2.8Å; R135-E152 PolarHBondContact NH1-OE1 3.45Å; R135-E152 IonicContact NH2-OE1 3.64Å; R135-E152 PolarHBondContact NH2-OE1 3.29Å; E152-L154 PolarHBondContact O-N 3.45Å
153	D	97.7	Very high	98.4	Very high	79 Å²	79	61.3 Å²	61.3	42%	0.422	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.1	174.1	70.5	4.4	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.92Å; D153-R155 WeakPolarHBondContact O-CG 3.46Å; D153-R155 PolarHBondContact O-N 3.45Å; D153-R155 PolarHBondContact OD1-N 2.95Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.46Å; D153-S156 PolarHBondContact OD1-OG 3.49Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.37Å; D153-S156 PolarHBondContact OD2-OG 2.91Å
154	L	98.3	Very high	98.4	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	33%	0.327	C	S	.	.	S	Bend	trans	53.5	28.6	-175.5	-53.5	-179	0	0	0	113.6	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.19Å; L150-L154 HydrophobicContact CD2-CB 4.46Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; N151-L154 WeakPolarHBondContact O-CA 3.36Å; N151-L154 PolarHBondContact O-N 3.31Å; E152-L154 PolarHBondContact O-N 3.45Å; L154-R181 HydrophobicContact CB-CB 4.02Å; L154-R181 HydrophobicContact CB-CG 3.79Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-R181 WeakPolarHBondContact O-CD 3.47Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.14Å
155	R	97.9	Very high	98.4	Very high	167 Å²	167	59 Å²	59	63%	0.63	31%	0.314	S	S	*	.	S	Bend	trans	-135.9	-31.6	-173.8	-71.4	169.8	-176.2	-99.5	12	112.9	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.46Å; D153-R155 PolarHBondContact O-N 3.45Å; D153-R155 PolarHBondContact OD1-N 2.95Å; R155-R181 VanDerWaalsContact CZ-NH1 3.3Å
156	S	98.1	Very high	98.4	Very high	41 Å²	41	54 Å²	54	29%	0.287	29%	0.294	S	S	.	.			trans	-116.6	161.9	-177.1	63.8	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.42Å; N151-S156 PolarHBondContact N-O 2.94Å; N151-S156 PolarHBondContact ND2-O 3.31Å; N151-S156 PolarHBondContact ND2-OG 3.49Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.46Å; D153-S156 PolarHBondContact OD1-OG 3.49Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.37Å; D153-S156 PolarHBondContact OD2-OG 2.91Å
157	W	98.8	Very high	98.4	Very high	10 Å²	10	49 Å²	49	4%	0.038	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.1	-176.9	-61.9	91.9	0	0	0	111.1	I148 A149 L150 Q168 W171 V176 A177 D180	I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.2Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; A149-W157 WeakPolarHBondContact O-CA 3.22Å; L150-W157 HydrophobicContact CB-CE3 4.03Å; L150-W157 HydrophobicContact CB-CH2 4Å; L150-W157 HydrophobicContact CB-CZ3 3.63Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.34Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.26Å; L150-W157 HydrophobicContact CG-CH2 4.49Å; W157-Q168 HydrophobicContact CB-CG 4.14Å; W157-Q168 PolarHBondContact O-NE2 3.24Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.47Å; W157-W171 AromaticContact CE2-CE3 3.75Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.9Å; W157-W171 HydrophobicContact CE3-CZ3 3.9Å; W157-W171 AromaticContact CH2-CE3 3.39Å; W157-W171 HydrophobicContact CH2-CE3 3.39Å; W157-W171 AromaticContact CH2-CZ3 3.37Å; W157-W171 HydrophobicContact CH2-CZ3 3.37Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.32Å; W157-W171 HydrophobicContact CZ3-CZ3 3.32Å; W157-V176 HydrophobicContact CZ2-CB 4.33Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.21Å
158	T	98.8	Very high	98.4	Very high	81 Å²	81	50.4 Å²	50.4	50%	0.497	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.3	166	-66.6	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.47Å; A149-T158 PolarHBondContact N-O 3.34Å; A149-T158 PolarHBondContact O-N 3.39Å; N151-T158 PolarHBondContact ND2-OG1 3.31Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
159	A	98.6	Very high	98.4	Very high	23 Å²	23	57.4 Å²	57.4	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.7	176.4	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 3.98Å; A159-Q168 HydrophobicContact CB-CB 4.44Å
160	A	98.5	Very high	98.4	Very high	60 Å²	60	61.1 Å²	61.1	50%	0.496	31%	0.311	S	S	.	.	S	Bend	trans	-73.6	-31.8	-176.7	0	0	0	0	0	113.2	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 2.9Å
161	D	98.3	Very high	98.4	Very high	55 Å²	55	63 Å²	63	29%	0.294	32%	0.318	S	S	.	.	S	Bend	trans	-150.6	-175	-178.3	68.3	27.1	0	0	0	113.4	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.06Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 3.35Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.43Å; D161-A163 WeakPolarHBondContact OD1-CA 3.47Å; D161-A163 WeakPolarHBondContact OD1-CB 3.35Å; D161-A163 PolarHBondContact OD1-N 2.92Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 2.87Å; D161-Q165 WeakPolarHBondContact O-CG 3.46Å; D161-Q165 PolarHBondContact O-N 2.95Å
162	T	98.2	Very high	98.4	Very high	110 Å²	110	65.5 Å²	65.5	68%	0.675	33%	0.328	S	S	*	.	H	α-helix	trans	-65.7	-28	-179.1	58.4	0	0	0	0	114
163	A	98.1	Very high	98.4	Very high	4 Å²	4	63.1 Å²	63.1	3%	0.033	33%	0.332	C	S	.	.	H	α-helix	trans	-74.1	-39.6	174.8	0	0	0	0	0	110.5	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.49Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 2.86Å; Y147-A163 VanDerWaalsContact OH-O 3.13Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.43Å; D161-A163 WeakPolarHBondContact OD1-CA 3.47Å; D161-A163 WeakPolarHBondContact OD1-CB 3.35Å; D161-A163 PolarHBondContact OD1-N 2.92Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-Q165 PolarHBondContact O-N 2.96Å; A163-I166 WeakPolarHBondContact O-CB 3.43Å; A163-I166 PolarHBondContact O-N 2.95Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-35.2	172.7	0	0	0	0	0	112.8	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.4Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 2.87Å; A164-I166 PolarHBondContact O-N 3.36Å; A164-T167 PolarHBondContact O-N 2.93Å; A164-Q168 PolarHBondContact O-N 2.89Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	69.4 Å²	69.4	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-27.4	174	-72.6	173.1	10.4	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.46Å; D161-Q165 PolarHBondContact O-N 2.95Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-Q165 PolarHBondContact O-N 2.96Å; Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 2.99Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.5	Very high	98.5	Very high	59 Å²	59	62.8 Å²	62.8	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-45.5	173.9	-59.2	170.5	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.08Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.4Å; Y108-I166 HydrophobicContact CE2-CG2 4.22Å; Y108-I166 HydrophobicContact CG-CD1 4.22Å; A163-I166 WeakPolarHBondContact O-CB 3.43Å; A163-I166 PolarHBondContact O-N 2.95Å; A164-I166 PolarHBondContact O-N 3.36Å; I166-K170 WeakPolarHBondContact O-CG 3.25Å; I166-K170 PolarHBondContact O-N 3.02Å
167	T	98.4	Very high	98.5	Very high	17 Å²	17	61.2 Å²	61.2	10%	0.104	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-44	176.9	-65.1	0	0	0	0	111.3	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.42Å; Y147-T167 PolarHBondContact OH-OG1 3.08Å; I148-T167 HydrophobicContact CD1-CG2 4.23Å; A164-T167 PolarHBondContact O-N 2.93Å; T167-R169 PolarHBondContact O-N 3.44Å; T167-K170 WeakPolarHBondContact O-CB 3.23Å; T167-K170 PolarHBondContact O-N 2.93Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.78Å; T167-W171 HydrophobicContact CG2-CE3 4.3Å; T167-W171 HydrophobicContact CG2-CG 4.14Å; T167-W171 HydrophobicContact CG2-CH2 4.37Å; T167-W171 HydrophobicContact CG2-CZ2 3.87Å; T167-W171 WeakPolarHBondContact O-CB 3.48Å; T167-W171 PolarHBondContact O-N 3.14Å
168	Q	98.6	Very high	98.5	Very high	40 Å²	40	66.1 Å²	66.1	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-50.9	-52.6	174.5	177.1	174	18.3	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.91Å; W157-Q168 HydrophobicContact CB-CG 4.14Å; W157-Q168 PolarHBondContact O-NE2 3.24Å; A159-Q168 HydrophobicContact CB-CB 4.44Å; A164-Q168 PolarHBondContact O-N 2.89Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.81Å; Q168-W171 PolarHBondContact O-N 3.39Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.18Å; Q168-E172 PolarHBondContact NE2-OE1 3.08Å; Q168-E172 WeakPolarHBondContact O-CB 3.34Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 3.43Å
169	R	98.7	Very high	98.4	Very high	149 Å²	149	68.9 Å²	68.9	56%	0.562	36%	0.36	S	S	*	.	H	α-helix	trans	-60.1	-38.9	179.4	-69.2	172.7	-166.2	127.8	7	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 2.99Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 3.44Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.42Å; R169-A173 PolarHBondContact O-N 2.94Å
170	K	98.4	Very high	98.4	Very high	111 Å²	111	69.2 Å²	69.2	48%	0.483	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-44.3	176.6	-72.4	178.1	174.5	-173.6	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.13Å; I166-K170 WeakPolarHBondContact O-CG 3.25Å; I166-K170 PolarHBondContact O-N 3.02Å; T167-K170 WeakPolarHBondContact O-CB 3.23Å; T167-K170 PolarHBondContact O-N 2.93Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.81Å; K170-A173 PolarHBondContact O-N 3.46Å; K170-A174 VanDerWaalsContact O-CB 3.32Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 2.85Å
171	W	98.5	Very high	98.4	Very high	56 Å²	56	69.7 Å²	69.7	21%	0.212	35%	0.348	C	S	.	.	H	α-helix	trans	-71.5	-36.8	-178.5	-74.6	8.1	0	0	0	112.8	Y140 I148 W157 T167 Q168 A174 R175 V176	Y140-W171 AromaticContact CD2-CH2 3.74Å; Y140-W171 HydrophobicContact CD2-CH2 3.74Å; Y140-W171 HydrophobicContact CD2-CZ3 4.16Å; Y140-W171 AromaticContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CZ2 4.5Å; Y140-W171 AromaticContact CE2-CZ3 3.9Å; Y140-W171 HydrophobicContact CE2-CZ3 3.9Å; Y140-W171 HydrophobicContact CG-CH2 4.5Å; Y140-W171 AromaticContact CZ-CH2 3.86Å; I148-W171 HydrophobicContact CD1-CE3 4.17Å; I148-W171 HydrophobicContact CD1-CZ3 4.39Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.74Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.47Å; W157-W171 AromaticContact CE2-CE3 3.75Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.9Å; W157-W171 HydrophobicContact CE3-CZ3 3.9Å; W157-W171 AromaticContact CH2-CE3 3.39Å; W157-W171 HydrophobicContact CH2-CE3 3.39Å; W157-W171 AromaticContact CH2-CZ3 3.37Å; W157-W171 HydrophobicContact CH2-CZ3 3.37Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.32Å; W157-W171 HydrophobicContact CZ3-CZ3 3.32Å; T167-W171 HydrophobicContact CG2-CD2 3.78Å; T167-W171 HydrophobicContact CG2-CE3 4.3Å; T167-W171 HydrophobicContact CG2-CG 4.14Å; T167-W171 HydrophobicContact CG2-CH2 4.37Å; T167-W171 HydrophobicContact CG2-CZ2 3.87Å; T167-W171 WeakPolarHBondContact O-CB 3.48Å; T167-W171 PolarHBondContact O-N 3.14Å; Q168-W171 PolarHBondContact O-N 3.39Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 3.38Å; W171-R175 WeakPolarHBondContact O-CA 3.35Å; W171-R175 PolarHBondContact O-N 2.81Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.86Å; W171-V176 HydrophobicContact CD2-CB 4.48Å; W171-V176 HydrophobicContact CD2-CG1 4.33Å; W171-V176 HydrophobicContact CD2-CG2 4.45Å; W171-V176 HydrophobicContact CE3-CG1 4.5Å; W171-V176 HydrophobicContact CG-CB 4.13Å; W171-V176 HydrophobicContact CG-CG1 4.47Å; W171-V176 HydrophobicContact CG-CG2 3.8Å; W171-V176 PolarHBondContact O-N 3.13Å
172	E	98.6	Very high	98.4	Very high	94 Å²	94	70 Å²	70	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-46.3	171.7	-73.4	170.8	175.3	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.18Å; Q168-E172 PolarHBondContact NE2-OE1 3.08Å; Q168-E172 WeakPolarHBondContact O-CB 3.34Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 3.43Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.34Å; E172-R175 PolarHBondContact O-N 3.49Å; E172-R175 VanDerWaalsContact O-N 3.13Å
173	A	98.5	Very high	98.4	Very high	88 Å²	88	68.1 Å²	68.1	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-62.4	-35.6	176.6	0	0	0	0	0	112.6	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.42Å; R169-A173 PolarHBondContact O-N 2.94Å; K170-A173 PolarHBondContact O-N 3.46Å
174	A	98.3	Very high	98.5	Very high	62 Å²	62	68 Å²	68	51%	0.512	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.7	177.2	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.32Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 2.85Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 3.38Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.34Å; A174-V176 VanDerWaalsContact C-N 3.29Å; A174-V176 HydrophobicContact CB-CG2 4.1Å; A174-V176 PolarHBondContact O-N 3.02Å
175	R	98.1	Very high	98.4	Very high	156 Å²	156	72.2 Å²	72.2	59%	0.589	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	39.5	-177.7	-59.7	174.1	172	-135.2	7.5	114.1	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.35Å; W171-R175 PolarHBondContact O-N 2.81Å; E172-R175 PolarHBondContact O-N 3.49Å; E172-R175 VanDerWaalsContact O-N 3.13Å; R175-A177 PolarHBondContact O-N 3.38Å; R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE1 3.19Å; R175-E178 IonicContact CZ-OE1 3.68Å; R175-E178 IonicContact NE-OE1 3.67Å; R175-E178 IonicContact NH1-OE1 2.67Å; R175-E178 PolarHBondContact NH1-OE1 3.45Å; R175-E178 IonicContact NH1-OE2 3.72Å; R175-E178 WeakPolarHBondContact O-CB 3.47Å; R175-E178 PolarHBondContact O-N 3.38Å
176	V	98.5	Very high	98.4	Very high	28 Å²	28	69.7 Å²	69.7	17%	0.17	35%	0.352	C	S	.	.	H	α-helix	trans	-56.6	-39.1	-178.3	176.4	0	0	0	0	111.8	W157 W171 A174 E178 Q179 D180	W157-V176 HydrophobicContact CZ2-CB 4.33Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.86Å; W171-V176 HydrophobicContact CD2-CB 4.48Å; W171-V176 HydrophobicContact CD2-CG1 4.33Å; W171-V176 HydrophobicContact CD2-CG2 4.45Å; W171-V176 HydrophobicContact CE3-CG1 4.5Å; W171-V176 HydrophobicContact CG-CB 4.13Å; W171-V176 HydrophobicContact CG-CG1 4.47Å; W171-V176 HydrophobicContact CG-CG2 3.8Å; W171-V176 PolarHBondContact O-N 3.13Å; A174-V176 VanDerWaalsContact C-N 3.29Å; A174-V176 HydrophobicContact CB-CG2 4.1Å; A174-V176 PolarHBondContact O-N 3.02Å; V176-E178 PolarHBondContact O-N 2.96Å; V176-E178 VanDerWaalsContact O-N 3.17Å; V176-Q179 WeakPolarHBondContact O-CB 3.49Å; V176-Q179 PolarHBondContact O-N 3.17Å; V176-D180 PolarHBondContact O-N 2.97Å
177	A	98.5	Very high	98.4	Very high	8 Å²	8	69.3 Å²	69.3	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-30.7	178.4	0	0	0	0	0	113.6	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.89Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; R175-A177 PolarHBondContact O-N 3.38Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.34Å; A177-R181 PolarHBondContact O-N 2.92Å
178	E	98.3	Very high	98.4	Very high	114 Å²	114	68.5 Å²	68.5	53%	0.533	35%	0.348	S	S	.	.	H	α-helix	trans	-66.9	-36.2	176.6	-64.9	179.2	-168.8	0	0	111.5	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE1 3.19Å; R175-E178 IonicContact CZ-OE1 3.68Å; R175-E178 IonicContact NE-OE1 3.67Å; R175-E178 IonicContact NH1-OE1 2.67Å; R175-E178 PolarHBondContact NH1-OE1 3.45Å; R175-E178 IonicContact NH1-OE2 3.72Å; R175-E178 WeakPolarHBondContact O-CB 3.47Å; R175-E178 PolarHBondContact O-N 3.38Å; V176-E178 PolarHBondContact O-N 2.96Å; V176-E178 VanDerWaalsContact O-N 3.17Å; E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 2.73Å; E178-A182 VanDerWaalsContact O-N 3.14Å
179	Q	97.8	Very high	98.4	Very high	138 Å²	138	67 Å²	67	65%	0.645	34%	0.341	S	S	*	.	H	α-helix	trans	-73.2	-47.1	177.9	-60.7	-179.6	7	0	0	111.1	V176 A177 R181 A182 Y183	V176-Q179 WeakPolarHBondContact O-CB 3.49Å; V176-Q179 PolarHBondContact O-N 3.17Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.28Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 2.88Å; Q179-A182 PolarHBondContact O-N 2.83Å; Q179-Y183 PolarHBondContact O-N 2.83Å
180	D	98.3	Very high	98.4	Very high	31 Å²	31	66.1 Å²	66.1	17%	0.166	34%	0.343	C	S	.	.	H	α-helix	trans	-60	-44.6	177.3	-69.7	-14.1	0	0	0	110.8	N138 L150 W157 V176 A182 Y183 L184	N138-D180 PolarHBondContact ND2-OD2 3.4Å; L150-D180 HydrophobicContact CD2-CB 4.05Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.21Å; V176-D180 PolarHBondContact O-N 2.97Å; D180-A182 PolarHBondContact O-N 3.03Å; D180-Y183 PolarHBondContact O-N 3.04Å; D180-L184 WeakPolarHBondContact O-CB 3.32Å; D180-L184 WeakPolarHBondContact O-CG 3.38Å; D180-L184 PolarHBondContact O-N 3.46Å
181	R	98.6	Very high	98.4	Very high	69 Å²	69	64 Å²	64	26%	0.26	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-44	176.2	-176.1	172.1	-179.9	-125.2	-13.7	112.3	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.02Å; L154-R181 HydrophobicContact CB-CG 3.79Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-R181 WeakPolarHBondContact O-CD 3.47Å; R155-R181 VanDerWaalsContact CZ-NH1 3.3Å; A177-R181 WeakPolarHBondContact O-CB 3.34Å; A177-R181 PolarHBondContact O-N 2.92Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 2.88Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.45Å; R181-L184 PolarHBondContact O-N 2.91Å; R181-E185 HydrophobicContact CG-CG 4.05Å; R181-E185 IonicContact CZ-OE1 2.65Å; R181-E185 IonicContact CZ-OE2 2.73Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.95Å; R181-E185 PolarHBondContact NE-OE1 3.18Å; R181-E185 IonicContact NE-OE2 3.9Å; R181-E185 PolarHBondContact NE-OE2 3.14Å; R181-E185 IonicContact NH2-OE1 3.72Å; R181-E185 PolarHBondContact NH2-OE1 2.81Å; R181-E185 IonicContact NH2-OE2 3.48Å; R181-E185 PolarHBondContact NH2-OE2 3.44Å; R181-E185 WeakPolarHBondContact O-CB 3.07Å; R181-E185 WeakPolarHBondContact O-CG 3.49Å; R181-E185 PolarHBondContact O-N 3.21Å
182	A	98.6	Very high	98.4	Very high	63 Å²	63	61.3 Å²	61.3	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-38.7	177.7	0	0	0	0	0	112.1	E178 Q179 D180 G186	E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 2.73Å; E178-A182 VanDerWaalsContact O-N 3.14Å; Q179-A182 PolarHBondContact O-N 2.83Å; D180-A182 PolarHBondContact O-N 3.03Å; A182-G186 PolarHBondContact O-N 3.43Å; A182-G186 VanDerWaalsContact O-N 3.16Å
183	Y	98.6	Very high	98.4	Very high	69 Å²	69	62.4 Å²	62.4	27%	0.271	32%	0.322	S	S	.	.	I	π-helix	trans	-66.2	-49.4	173.1	170.8	-96	0	0	0	111.9	Y123 Q179 D180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.97Å; Y123-Y183 HydrophobicContact CD2-CE1 3.97Å; Y123-Y183 HydrophobicContact CE2-CE1 4.16Å; Q179-Y183 PolarHBondContact O-N 2.83Å; D180-Y183 PolarHBondContact O-N 3.04Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.45Å; Y183-G186 CarbonylContact O-C 3.44Å; Y183-G186 PolarHBondContact O-N 2.92Å; Y183-T187 HydrophobicContact CD2-CG2 3.82Å; Y183-T187 HydrophobicContact CE2-CG2 3.72Å; Y183-T187 PolarHBondContact O-N 3.05Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3Å
184	L	98.7	Very high	98.3	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	31%	0.31	C	S	.	.	I	π-helix	trans	-67.9	-40.5	-174.9	-69.5	170.9	0	0	0	112.8	G124 L150 L154 D180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.17Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; D180-L184 WeakPolarHBondContact O-CB 3.32Å; D180-L184 WeakPolarHBondContact O-CG 3.38Å; D180-L184 PolarHBondContact O-N 3.46Å; R181-L184 PolarHBondContact O-N 2.91Å; L184-V189 WeakPolarHBondContact O-CG2 3.49Å
185	E	98.3	Very high	98.3	Very high	88 Å²	88	61.2 Å²	61.2	41%	0.411	29%	0.286	S	S	.	.	I	π-helix	trans	-78.4	-24.1	177.6	-68.7	-177.5	166.1	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.14Å; R181-E185 HydrophobicContact CG-CG 4.05Å; R181-E185 IonicContact CZ-OE1 2.65Å; R181-E185 IonicContact CZ-OE2 2.73Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.95Å; R181-E185 PolarHBondContact NE-OE1 3.18Å; R181-E185 IonicContact NE-OE2 3.9Å; R181-E185 PolarHBondContact NE-OE2 3.14Å; R181-E185 IonicContact NH2-OE1 3.72Å; R181-E185 PolarHBondContact NH2-OE1 2.81Å; R181-E185 IonicContact NH2-OE2 3.48Å; R181-E185 PolarHBondContact NH2-OE2 3.44Å; R181-E185 WeakPolarHBondContact O-CB 3.07Å; R181-E185 WeakPolarHBondContact O-CG 3.49Å; R181-E185 PolarHBondContact O-N 3.21Å
186	G	98.3	Very high	98.3	Very high	21 Å²	21	54.4 Å²	54.4	22%	0.216	26%	0.261	C	S	.	.	I	π-helix	trans	-110.8	-88.1	-176.8	0	0	0	0	0	112.6	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.43Å; A182-G186 VanDerWaalsContact O-N 3.16Å; Y183-G186 CarbonylContact O-C 3.44Å; Y183-G186 PolarHBondContact O-N 2.92Å; G186-C188 PolarHBondContact O-N 3.5Å; G186-V189 PolarHBondContact O-N 2.83Å; G186-E190 WeakPolarHBondContact O-CG 3.43Å; G186-E190 PolarHBondContact O-N 2.94Å
187	T	98.4	Very high	98.2	Very high	52 Å²	52	58.4 Å²	58.4	32%	0.319	28%	0.278	S	S	.	.	I	π-helix	trans	-54.5	-46.2	-170.7	-58.7	0	0	0	0	112.9	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.82Å; Y183-T187 HydrophobicContact CE2-CG2 3.72Å; Y183-T187 PolarHBondContact O-N 3.05Å; T187-V189 PolarHBondContact O-N 3.23Å; T187-E190 PolarHBondContact O-N 3.42Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.44Å; T187-W191 PolarHBondContact O-N 3.02Å
188	C	98.7	Very high	98.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-59.1	-48.9	-179.7	-173.1	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.42Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.29Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.99Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3Å; G186-C188 PolarHBondContact O-N 3.5Å; C188-W191 PolarHBondContact O-N 2.9Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 3.32Å
189	V	98.6	Very high	97.9	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-42.4	-179.9	173.5	0	0	0	0	111.5	C125 V127 G131 L133 L184 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.39Å; V127-V189 HydrophobicContact CG1-CB 4.45Å; V127-V189 HydrophobicContact CG1-CG1 4.05Å; V127-V189 HydrophobicContact CG1-CG2 4Å; G131-V189 WeakPolarHBondContact O-CG1 3.47Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 3.83Å; L184-V189 WeakPolarHBondContact O-CG2 3.49Å; G186-V189 PolarHBondContact O-N 2.83Å; T187-V189 PolarHBondContact O-N 3.23Å; V189-L192 PolarHBondContact O-N 3Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.27Å; V189-R193 PolarHBondContact O-N 2.91Å
190	E	98.4	Very high	97.8	Very high	132 Å²	132	52.9 Å²	52.9	62%	0.617	25%	0.251	S	S	*	.	H	α-helix	trans	-61.8	-45.6	178.2	-73.2	173.5	178.6	0	0	112	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.43Å; G186-E190 PolarHBondContact O-N 2.94Å; T187-E190 PolarHBondContact O-N 3.42Å; E190-R194 PolarHBondContact O-N 3.04Å; E190-R194 VanDerWaalsContact O-N 3.13Å
191	W	98.4	Very high	97.4	Very high	65 Å²	65	57.4 Å²	57.4	25%	0.246	28%	0.276	C	S	.	.	H	α-helix	trans	-68.8	-42.1	177.6	-82	102.5	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.07Å; Y83-W191 AromaticContact CD2-CH2 3.34Å; Y83-W191 HydrophobicContact CD2-CH2 3.34Å; Y83-W191 HydrophobicContact CD2-CZ2 4.04Å; Y83-W191 AromaticContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CE3 4.17Å; Y83-W191 AromaticContact CE2-CH2 3.65Å; Y83-W191 HydrophobicContact CE2-CH2 3.65Å; Y83-W191 HydrophobicContact CE2-CZ2 4.26Å; Y83-W191 AromaticContact CE2-CZ3 3.58Å; Y83-W191 HydrophobicContact CE2-CZ3 3.58Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.44Å; T187-W191 PolarHBondContact O-N 3.02Å; C188-W191 PolarHBondContact O-N 2.9Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.47Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.17Å; W191-R194 VanDerWaalsContact O-N 3.14Å; W191-Y195 HydrophobicContact CB-CE2 4.09Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.34Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.81Å; W191-Y195 HydrophobicContact CZ3-CE1 3.81Å; W191-Y195 WeakPolarHBondContact O-CD2 3.39Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 3.33Å
192	L	98.5	Very high	97.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-46.4	176	174.4	52.6	0	0	0	111.1	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.41Å; M29-L192 HydrophobicContact CB-CB 4.09Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-L192 HydrophobicContact SD-CB 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.19Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 3.32Å; V189-L192 PolarHBondContact O-N 3Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.34Å; L192-Y195 PolarHBondContact O-N 3.13Å; L192-L196 HydrophobicContact CD1-CD1 3.96Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.95Å; L192-L196 HydrophobicContact CG-CD1 4.09Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.01Å
193	R	97.6	Very high	96.8	Very high	117 Å²	117	53.5 Å²	53.5	44%	0.442	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-41.8	175.7	-71.1	175	-174.2	177	2.6	112.7	G131 V189 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.28Å; G131-R193 PolarHBondContact O-NE 3.38Å; G131-R193 PolarHBondContact O-NH2 2.88Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.27Å; V189-R193 PolarHBondContact O-N 2.91Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.47Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-L196 PolarHBondContact O-N 3.02Å; R193-E197 PolarHBondContact O-N 2.89Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194	R	97.8	Very high	96.3	Very high	124 Å²	124	55.7 Å²	55.7	47%	0.468	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-43.4	175.8	178.2	-177.7	174.8	121.2	-5.1	111.3	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 3.48Å; E79-R194 IonicContact OE1-NE 3.38Å; E79-R194 PolarHBondContact OE1-NE 3.24Å; E79-R194 IonicContact OE1-NH2 3.62Å; E79-R194 PolarHBondContact OE1-NH2 2.93Å; E79-R194 VanDerWaalsContact OE1-NH2 3.11Å; E79-R194 IonicContact OE2-CZ 3.73Å; E79-R194 IonicContact OE2-NE 3.2Å; E79-R194 IonicContact OE2-NH2 3.72Å; E79-R194 PolarHBondContact OE2-NH2 2.88Å; E190-R194 PolarHBondContact O-N 3.04Å; E190-R194 VanDerWaalsContact O-N 3.13Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.17Å; W191-R194 VanDerWaalsContact O-N 3.14Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.34Å; R194-E197 PolarHBondContact O-N 2.8Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 2.95Å
195	Y	98	Very high	96	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-39.5	179	-61.8	-26.5	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 R193 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.49Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.49Å; V52-Y195 HydrophobicContact CG2-CD2 3.94Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; F57-Y195 HydrophobicContact CD2-CE2 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.61Å; F57-Y195 HydrophobicContact CE2-CE2 3.61Å; F57-Y195 AromaticContact CE2-CZ 3.93Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å; W75-Y195 HydrophobicContact CE3-CD1 4.44Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.65Å; W75-Y195 HydrophobicContact CZ3-CG 3.65Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.25Å; Y83-Y195 PolarHBondContact OH-OH 2.79Å; W191-Y195 HydrophobicContact CB-CE2 4.09Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.34Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.81Å; W191-Y195 HydrophobicContact CZ3-CE1 3.81Å; W191-Y195 WeakPolarHBondContact O-CD2 3.39Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 3.33Å; L192-Y195 PolarHBondContact O-N 3.13Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; Y195-N198 PolarHBondContact O-N 3.45Å; Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 3.24Å; Y195-L203 WeakPolarHBondContact O-CD1 3.43Å
196	L	96.8	Very high	95.8	Very high	13 Å²	13	58.5 Å²	58.5	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-46.9	173.7	-68.9	169.4	0	0	0	111.3	H27 V52 L192 R193 N198 G199 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.75Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.31Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; L192-L196 HydrophobicContact CD1-CD1 3.96Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.95Å; L192-L196 HydrophobicContact CG-CD1 4.09Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.01Å; R193-L196 PolarHBondContact O-N 3.02Å; L196-N198 PolarHBondContact O-N 2.6Å; L196-G199 CarbonylContact O-C 3.58Å; L196-G199 PolarHBondContact O-N 2.89Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.35Å; L196-K200 WeakPolarHBondContact O-CB 3.38Å; L196-K200 PolarHBondContact O-N 3.47Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å
197	E	96.4	Very high	95.7	Very high	111 Å²	111	59.2 Å²	59.2	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-45.3	176.5	-178.7	60.9	-135	0	0	112.1	R193 R194 G199 K200	R193-E197 PolarHBondContact O-N 2.89Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 2.8Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.36Å; E197-K200 IonicContact OE1-NZ 3.22Å; E197-K200 PolarHBondContact OE1-NZ 3.16Å
198	N	96.8	Very high	95.7	Very high	52 Å²	52	59.9 Å²	59.9	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-35	179.1	-78.9	-1.6	0	0	0	112.6	Q78 E79 R194 Y195 L196	Q78-N198 PolarHBondContact NE2-ND2 2.84Å; E79-N198 PolarHBondContact OE1-ND2 3.12Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 2.95Å; Y195-N198 PolarHBondContact O-N 3.45Å; L196-N198 PolarHBondContact O-N 2.6Å
199	G	95.6	Very high	95.7	Very high	2 Å²	2	60.3 Å²	60.3	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-107.8	10.6	-173.4	0	0	0	0	0	114.7	Y195 L196 E197 D201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 3.24Å; L196-G199 CarbonylContact O-C 3.58Å; L196-G199 PolarHBondContact O-N 2.89Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.36Å; G199-D201 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 2.87Å; G199-D201 VanDerWaalsContact O-N 3.13Å; G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 PolarHBondContact O-N 2.98Å; G199-T202 PolarHBondContact O-OG1 3.4Å; G199-L203 PolarHBondContact O-N 3.06Å
200	K	93.7	Very high	95.6	Very high	91 Å²	91	67.4 Å²	67.4	40%	0.396	32%	0.315	S	S	.	.	H	α-helix	trans	-50.1	-42.2	-167.9	64.9	-172.9	170.8	-160.6	0	115.4	L196 E197 T202 E204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.35Å; L196-K200 WeakPolarHBondContact O-CB 3.38Å; L196-K200 PolarHBondContact O-N 3.47Å; E197-K200 IonicContact OE1-NZ 3.22Å; E197-K200 PolarHBondContact OE1-NZ 3.16Å; K200-T202 PolarHBondContact O-N 2.84Å; K200-E204 PolarHBondContact O-N 3.32Å
201	D	91.8	Very high	95.6	Very high	126 Å²	126	62.8 Å²	62.8	67%	0.674	30%	0.296	S	S	*	.	H	α-helix	trans	-62.2	-21.6	-179.9	-65.4	-17	0	0	0	112.6	G199 R205	G199-D201 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 2.87Å; G199-D201 VanDerWaalsContact O-N 3.13Å; D201-R205 PolarHBondContact O-NH1 2.87Å
202	T	91.2	Very high	95.6	Very high	45 Å²	45	63.5 Å²	63.5	28%	0.276	30%	0.302	S	S	.	.	H	α-helix	trans	-101.6	-70	173	55.3	0	0	0	0	110.8	G199 K200 E204 R205 R263	G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 PolarHBondContact O-N 2.98Å; G199-T202 PolarHBondContact O-OG1 3.4Å; K200-T202 PolarHBondContact O-N 2.84Å; T202-E204 PolarHBondContact O-N 3.08Å; T202-R205 WeakPolarHBondContact O-CB 3.33Å; T202-R205 PolarHBondContact O-N 3.26Å; T202-R263 VanDerWaalsContact CA-NH1 3.28Å; T202-R263 VanDerWaalsContact CB-NH1 3.31Å; T202-R263 VanDerWaalsContact O-CZ 3.29Å; T202-R263 PolarHBondContact O-NH1 2.88Å; T202-R263 PolarHBondContact O-NH2 3.16Å
203	L	91.7	Very high	95.6	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-35.9	-165.2	-63	172.3	0	0	0	114.1	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; T55-L203 HydrophobicContact CG2-CD2 4.18Å; W75-L203 HydrophobicContact CD2-CD1 4.48Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.43Å; Y195-L203 WeakPolarHBondContact O-CD1 3.43Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å; G199-L203 PolarHBondContact O-N 3.06Å; L203-R205 VanDerWaalsContact C-N 3.31Å
204	E	89.3	Confident	95.5	Very high	115 Å²	115	60.6 Å²	60.6	54%	0.537	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1.2	179	-60.3	-175.8	176.1	0	0	112.8	K200 T202	K200-E204 PolarHBondContact O-N 3.32Å; T202-E204 PolarHBondContact O-N 3.08Å
205	R	92.3	Very high	95.5	Very high	118 Å²	118	57.2 Å²	57.2	45%	0.445	29%	0.287	S	S	.	.			trans	-95.4	113.3	179.4	-167.3	-178	78.6	-142.1	3.6	110.9	D201 T202 L203 D207 Y233	D201-R205 PolarHBondContact O-NH1 2.87Å; T202-R205 WeakPolarHBondContact O-CB 3.33Å; T202-R205 PolarHBondContact O-N 3.26Å; L203-R205 VanDerWaalsContact C-N 3.31Å; R205-D207 IonicContact CZ-OD1 2.78Å; R205-D207 IonicContact CZ-OD2 2.82Å; R205-D207 IonicContact NE-OD1 3Å; R205-D207 PolarHBondContact NE-OD1 3.35Å; R205-D207 IonicContact NE-OD2 3.47Å; R205-D207 IonicContact NH2-OD1 2.76Å; R205-D207 IonicContact NH2-OD2 3.12Å; R205-D207 PolarHBondContact NH2-OD2 3.14Å; R205-Y233 WeakPolarHBondContact O-CD1 3.47Å
206	A	94.5	Very high	95.3	Very high	30 Å²	30	61.1 Å²	61.1	25%	0.248	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-83.5	123.2	166	0	0	0	0	0	110.7	Y233 E288	A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.45Å; A206-E288 HydrophobicContact CB-CG 4.39Å
207	D	96.1	Very high	95.2	Very high	37 Å²	37	65.2 Å²	65.2	20%	0.198	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-97.9	117.2	175.2	-68.8	-33.5	0	0	0	108.1	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.78Å; R205-D207 IonicContact CZ-OD2 2.82Å; R205-D207 IonicContact NE-OD1 3Å; R205-D207 PolarHBondContact NE-OD1 3.35Å; R205-D207 IonicContact NE-OD2 3.47Å; R205-D207 IonicContact NH2-OD1 2.76Å; R205-D207 IonicContact NH2-OD2 3.12Å; R205-D207 PolarHBondContact NH2-OD2 3.14Å; D207-F232 CarbonylContact O-C 3.59Å; D207-F232 WeakPolarHBondContact O-CA 3.46Å; D207-F232 WeakPolarHBondContact O-CB 3.38Å; D207-Y233 PolarHBondContact N-O 2.9Å; D207-Y233 PolarHBondContact O-N 2.86Å; D207-H287 PolarHBondContact O-CE1 3.05Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å
208	P	97.4	Very high	95	Very high	65 Å²	65	64.6 Å²	64.6	42%	0.422	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-70.9	149.8	-175.9	25.1	-32.8	0	0	0	113	G289 L290	P208-G289 WeakPolarHBondContact CB-O 3.38Å; P208-L290 HydrophobicContact CB-CD2 3.92Å; P208-L290 HydrophobicContact CB-CG 4.45Å
209	P	98.1	Very high	94.8	Very high	9 Å²	9	64.7 Å²	64.7	6%	0.058	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.8	135.1	179.4	28	-35.3	0	0	0	112.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.16Å; P209-T211 PolarHBondContact O-N 2.88Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.11Å; P209-F232 HydrophobicContact CG-CB 4.5Å; P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.45Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.3	Very high	94.5	Very high	156 Å²	156	71.7 Å²	71.7	68%	0.678	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.7	163.5	-64.4	172.1	-173.5	167.5	0	108.2	L230	K210-L230 PolarHBondContact N-O 2.86Å; K210-L230 PolarHBondContact O-N 3.32Å
211	T	98.1	Very high	94.5	Very high	35 Å²	35	74.2 Å²	74.2	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.1	-171.8	54.4	0	0	0	0	112.9	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.16Å; P209-T211 PolarHBondContact O-N 2.88Å; T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.11Å; T211-V285 HydrophobicContact CG2-CG2 4Å; T211-L294 HydrophobicContact CG2-CD1 4.27Å; T211-L296 HydrophobicContact CG2-CD1 4.46Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.23Å
212	H	97.4	Very high	94.7	Very high	81 Å²	81	72.7 Å²	72.7	38%	0.375	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	159.1	171.1	64.1	-76.8	0	0	0	111	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 2.99Å; H212-W228 AromaticContact CE1-CD1 3.96Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.8Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.18Å
213	V	98.2	Very high	94.9	Very high	22 Å²	22	70.6 Å²	70.6	13%	0.133	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.7	176.9	-179.5	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 WeakPolarHBondContact CA-O 3.36Å; V213-C227 HydrophobicContact CG2-CB 4.41Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-L296 HydrophobicContact CG2-CD2 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.9	Very high	95.2	Very high	34 Å²	34	71.4 Å²	71.4	21%	0.209	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.6	175.7	55.1	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.22Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; T214-L225 WeakPolarHBondContact O-CA 3.21Å; T214-R226 PolarHBondContact N-O 3.48Å; T214-R226 PolarHBondContact O-N 3.08Å; T214-R226 WeakPolarHBondContact OG1-CB 3.37Å; T214-R226 PolarHBondContact OG1-O 2.87Å; T214-R226 VanDerWaalsContact OG1-O 3.12Å; T214-W228 PolarHBondContact OG1-NE1 3.44Å
215	H	96.4	Very high	95.6	Very high	52 Å²	52	65.9 Å²	65.9	24%	0.241	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.9	-178.5	169.8	-92.2	0	0	0	109.7	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.4Å; H215-T224 WeakPolarHBondContact CA-O 3.3Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 3.51Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.94Å
216	H	94.8	Very high	95.9	Very high	85 Å²	85	62.6 Å²	62.6	39%	0.394	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	105	-178.4	-58.8	83.1	0	0	0	109.3	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.22Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; H216-I218 PolarHBondContact O-N 2.88Å; H216-A223 CarbonylContact O-C 3.46Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; H216-T224 PolarHBondContact N-O 3.37Å; H216-T224 PolarHBondContact O-N 3.39Å; H216-R226 PolarHBondContact CE1-NH1 3.18Å
217	P	94.2	Very high	96.1	Very high	99 Å²	99	61.2 Å²	61.2	64%	0.643	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	132	173.5	-20.5	30.9	0	0	0	110.9
218	I	91.9	Very high	96.2	Very high	97 Å²	97	61.8 Å²	61.8	50%	0.497	32%	0.317	S	S	.	.			trans	-100.9	-43.7	174.3	-50.9	172.9	0	0	0	109.4	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.88Å; I218-E222 PolarHBondContact N-O 2.85Å; I218-T224 VanDerWaalsContact CD1-OG1 3.28Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.14Å; I218-V272 HydrophobicContact CD1-CG1 3.99Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å
219	S	92.6	Very high	96.2	Very high	54 Å²	54	58.7 Å²	58.7	38%	0.378	30%	0.297	S	S	.	.	S	Bend	trans	-147.4	-179	178.1	72.6	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.47Å; S219-H221 PolarHBondContact OG-N 3.01Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 3.13Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 3.27Å
220	D	90.3	Very high	96.2	Very high	150 Å²	150	60.9 Å²	60.9	80%	0.802	31%	0.308	S	S	*	.	S	Bend	trans	-62.9	-19.5	172.7	-65.5	-21.2	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.37Å
221	H	93.3	Very high	96.2	Very high	144 Å²	144	54.6 Å²	54.6	67%	0.667	29%	0.287	S	S	*	.	S	Bend	trans	-106.5	-16.7	-173.6	-53.9	-47.6	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.47Å; S219-H221 PolarHBondContact OG-N 3.01Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 CarbonylContact O-C 3.5Å; H221-P274 WeakPolarHBondContact O-CA 3.39Å; H221-S275 PolarHBondContact O-N 2.83Å; H221-S275 PolarHBondContact O-OG 2.84Å
222	E	95.3	Very high	96.2	Very high	93 Å²	93	52.9 Å²	52.9	44%	0.435	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.5	-171.4	-66	-178.8	161.2	0	0	112.7	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.85Å; S219-E222 PolarHBondContact N-O 3.13Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 3.27Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.47Å; E222-S275 PolarHBondContact N-OG 3.26Å
223	A	96.1	Very high	96.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.2	172.5	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.4Å; H216-A223 CarbonylContact O-C 3.46Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; A223-V272 WeakPolarHBondContact O-CA 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.5Å; A223-V273 PolarHBondContact N-O 2.82Å; A223-V273 PolarHBondContact O-N 3.02Å
224	T	97.6	Very high	96.1	Very high	22 Å²	22	49 Å²	49	14%	0.135	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.2	168.1	-51.8	0	0	0	0	109.9	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.3Å; H216-T224 PolarHBondContact N-O 3.37Å; H216-T224 PolarHBondContact O-N 3.39Å; I218-T224 VanDerWaalsContact CD1-OG1 3.28Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.14Å; T224-A270 HydrophobicContact CG2-CB 3.85Å; T224-V271 WeakPolarHBondContact CA-O 3.02Å
225	L	98.1	Very high	96	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.6	162.1	-64.1	-175.8	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.21Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 2.84Å; L225-V271 PolarHBondContact O-N 2.8Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.16Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.5Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.4Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.3	Very high	96	Very high	49 Å²	49	51 Å²	51	19%	0.185	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117	176.5	-178.6	-178.6	-61.4	109.3	2.8	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.36Å; T214-R226 PolarHBondContact N-O 3.48Å; T214-R226 PolarHBondContact O-N 3.08Å; T214-R226 WeakPolarHBondContact OG1-CB 3.37Å; T214-R226 PolarHBondContact OG1-O 2.87Å; T214-R226 VanDerWaalsContact OG1-O 3.12Å; H216-R226 PolarHBondContact CE1-NH1 3.18Å; R226-W228 VanDerWaalsContact CD-CE2 3.47Å; R226-W228 VanDerWaalsContact CD-CZ2 3.48Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.44Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.3	Very high	96.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.7	175.5	-172.8	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.41Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.31Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; C227-A269 PolarHBondContact N-O 2.6Å; C227-A269 PolarHBondContact O-N 2.85Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.3Å; C227-C283 WeakPolarHBondContact SG-CB 3.4Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.1Å
228	W	98.4	Very high	96.2	Very high	50 Å²	50	44.7 Å²	44.7	19%	0.189	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.8	179.6	-71.2	90.1	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.44Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 2.99Å; H212-W228 AromaticContact CE1-CD1 3.96Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.8Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.18Å; T214-W228 PolarHBondContact OG1-NE1 3.44Å; R226-W228 VanDerWaalsContact CD-CE2 3.47Å; R226-W228 VanDerWaalsContact CD-CZ2 3.48Å; W228-L230 HydrophobicContact CE3-CD2 3.84Å; W228-L230 HydrophobicContact CZ3-CD2 4.35Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.61Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å
229	A	98.6	Very high	96.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.5	162.3	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.49Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; A229-Q266 VanDerWaalsContact O-CA 3.32Å; A229-Q266 WeakPolarHBondContact O-CA 3.23Å; A229-K267 PolarHBondContact N-O 3.25Å; A229-K267 PolarHBondContact O-N 3.11Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.4	Very high	96.7	Very high	54 Å²	54	39.8 Å²	39.8	28%	0.283	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.3	-174.7	-59.4	176.5	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.86Å; K210-L230 PolarHBondContact O-N 3.32Å; W228-L230 HydrophobicContact CE3-CD2 3.84Å; W228-L230 HydrophobicContact CZ3-CD2 4.35Å; L230-F232 PolarHBondContact O-N 2.92Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.6	Very high	97.1	Very high	24 Å²	24	32.7 Å²	32.7	25%	0.247	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.5	30.9	167.5	0	0	0	0	0	114	F265	G231-F265 PolarHBondContact N-O 2.84Å
232	F	97.8	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	155.5	-179.8	58.9	-88.9	0	0	0	112.7	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.59Å; D207-F232 WeakPolarHBondContact O-CA 3.46Å; D207-F232 WeakPolarHBondContact O-CB 3.38Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.11Å; P209-F232 HydrophobicContact CG-CB 4.5Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.49Å; L230-F232 PolarHBondContact O-N 2.92Å; F232-P234 WeakPolarHBondContact CD2-O 3.43Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.21Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.22Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 3.26Å; F232-F265 PolarHBondContact O-N 3.47Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.71Å
233	Y	96.6	Very high	97.4	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-149.6	136.6	172.1	179.4	-84.7	0	0	0	109	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.83Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.5Å; T55-Y233 PolarHBondContact OG1-OH 3.15Å; R205-Y233 WeakPolarHBondContact O-CD1 3.47Å; A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.45Å; D207-Y233 PolarHBondContact N-O 2.9Å; D207-Y233 PolarHBondContact O-N 2.86Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.26Å; Y233-R263 HydrophobicContact CD2-CG 3.88Å; Y233-R263 HydrophobicContact CE2-CG 4.07Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.25Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 HydrophobicContact CD2-CE2 4.05Å; Y233-F265 HydrophobicContact CE2-CE2 4.45Å; Y233-H287 PolarHBondContact O-CE1 2.88Å
234	P	95.9	Very high	97.3	Very high	18 Å²	18	31.4 Å²	31.4	12%	0.117	16%	0.162	C	C	.	.	S	Bend	cis	-71.7	178.4	2.2	30.1	-36.2	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.36Å; F232-P234 WeakPolarHBondContact CD2-O 3.43Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.16Å; P234-H287 PolarHBondContact O-NE2 3.28Å; P234-E288 WeakPolarHBondContact CG-OE2 3.42Å
235	A	96.7	Very high	97	Very high	14 Å²	14	32.7 Å²	32.7	12%	0.116	18%	0.18	C	C	.	.	S	Bend	trans	-69.3	-28.4	-175.9	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 WeakPolarHBondContact OD2-CB 3.33Å; D54-A235 PolarHBondContact OD2-N 3.23Å; A235-I237 PolarHBondContact O-N 2.98Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.39Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.62Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.63Å
236	E	95.8	Very high	96.9	Very high	114 Å²	114	39.5 Å²	39.5	53%	0.533	21%	0.212	S	C	.	.			trans	-64.5	121.6	-179.8	-171.3	65.5	-150.8	0	0	109.7	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.49Å; W23-E236 HydrophobicContact CE3-CG 4.13Å; W23-E236 HydrophobicContact CH2-CB 4.09Å; W23-E236 HydrophobicContact CH2-CG 3.14Å; W23-E236 HydrophobicContact CZ2-CG 3.43Å; W23-E236 VanDerWaalsContact CZ2-CG 3.43Å; W23-E236 HydrophobicContact CZ3-CB 3.93Å; W23-E236 HydrophobicContact CZ3-CG 3.46Å; W23-E236 VanDerWaalsContact CZ3-CG 3.46Å; W23-E236 WeakPolarHBondContact CZ3-O 3.25Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.16Å; E236-H287 PolarHBondContact O-CD2 3.18Å; E236-H287 VanDerWaalsContact O-CD2 3.23Å
237	I	96.6	Very high	96.7	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.051	23%	0.227	C	C	.	.			trans	-156.3	143.5	-176.6	-165.1	171.7	0	0	0	109.7	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; A235-I237 PolarHBondContact O-N 2.98Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.29Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.31Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.09Å
238	T	97.1	Very high	96.5	Very high	41 Å²	41	43 Å²	43	25%	0.252	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.4	174.3	-62.1	0	0	0	0	110.7	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; T238-Q286 PolarHBondContact N-O 3.28Å; T238-Q286 PolarHBondContact O-N 2.64Å
239	L	97.5	Very high	96	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.8	173	-86.1	63.9	0	0	0	108.8	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; L239-L254 HydrophobicContact CB-CD1 4.2Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.2	Very high	95.4	Very high	40 Å²	40	54.9 Å²	54.9	25%	0.245	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.9	176.1	59	0	0	0	0	111.8	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.37Å; T240-H284 PolarHBondContact N-O 3.09Å; T240-H284 PolarHBondContact O-N 2.68Å
241	W	98.1	Very high	94.8	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.9	169.1	-82.7	106.4	0	0	0	110.1	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.82Å; W241-A269 PolarHBondContact NE1-O 2.77Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.77Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; W241-T282 WeakPolarHBondContact CA-O 3.16Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.7	Very high	94.6	Very high	41 Å²	41	57.6 Å²	57.6	19%	0.192	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145	171.8	-69.9	-174	-6.7	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.21Å; Q242-D247 PolarHBondContact NE2-OD1 3.4Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; Q242-T282 PolarHBondContact N-O 3.37Å; Q242-T282 PolarHBondContact O-N 2.87Å; Q242-H284 PolarHBondContact OE1-NE2 3.01Å
243	R	97.3	Very high	94.6	Very high	68 Å²	68	63.2 Å²	63.2	26%	0.257	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.8	168.3	-176.2	-172.4	-176.2	177.7	-1.1	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.97Å; R243-E246 PolarHBondContact N-O 3.39Å; R243-E246 PolarHBondContact O-N 3.33Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; R243-E277 IonicContact CZ-OE2 3.49Å; R243-E277 IonicContact NE-OE2 2.7Å; R243-E277 IonicContact NH2-OE1 3.66Å; R243-E277 IonicContact NH2-OE2 3.6Å; R243-E277 PolarHBondContact NH2-OE2 2.82Å; R243-R280 WeakPolarHBondContact CA-O 3.46Å; R243-R280 HydrophobicContact CG-CB 4.37Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.32Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	94.9	Very high	94.5	Very high	101 Å²	101	67.3 Å²	67.3	54%	0.54	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	28.5	-175.5	-53.3	-50	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 2.87Å; D244-R280 IonicContact OD1-NE 3.1Å; D244-R280 PolarHBondContact OD1-NE 3.13Å; D244-R280 IonicContact OD2-CZ 3.77Å; D244-R280 IonicContact OD2-NE 3.04Å; D244-R280 PolarHBondContact OD2-NE 3.2Å; D244-R280 IonicContact OD2-NH2 3.66Å; D244-R280 PolarHBondContact OD2-NH2 2.83Å
245	G	90.5	Very high	94.6	Very high	49 Å²	49	68.1 Å²	68.1	51%	0.505	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-0.5	-177.9	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 2.97Å
246	E	94.8	Very high	94.5	Very high	144 Å²	144	75.7 Å²	75.7	67%	0.673	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.4	175.6	-63.2	-173.3	171.3	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; R243-E246 PolarHBondContact N-O 3.39Å; R243-E246 PolarHBondContact O-N 3.33Å; E246-Q248 PolarHBondContact O-NE2 3.1Å
247	D	94.5	Very high	94.6	Very high	96 Å²	96	72.4 Å²	72.4	51%	0.513	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	134.5	-179.5	-69.3	-26.2	0	0	0	112.2	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.21Å; Q242-D247 PolarHBondContact NE2-OD1 3.4Å
248	Q	93.9	Very high	94.7	Very high	25 Å²	25	76.8 Å²	76.8	12%	0.117	40%	0.398	C	S	.	.			trans	-104	38	-177.4	-57.8	-60.8	-69.7	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.82Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; E246-Q248 PolarHBondContact O-NE2 3.1Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.26Å; Q248-D251 PolarHBondContact O-N 2.73Å; Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.03Å; Q248-T252 PolarHBondContact O-OG1 3.38Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å
249	T	87.8	Confident	94.7	Very high	108 Å²	108	79.3 Å²	79.3	66%	0.663	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.1	-168.5	-47.3	0	0	0	0	114.1
250	Q	87.3	Confident	94.6	Very high	193 Å²	193	81.3 Å²	81.3	90%	0.902	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.4	-178.8	-67	-174.5	7.3	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.26Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	86.1	Confident	94.4	Very high	111 Å²	111	83.1 Å²	83.1	59%	0.594	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	1.8	-177.9	-56.6	-52.8	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.73Å
252	T	93.7	Very high	94.1	Very high	24 Å²	24	88.2 Å²	88.2	15%	0.147	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.5	179.7	-63.5	0	0	0	0	110.7	Q248 Q250 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.03Å; Q248-T252 PolarHBondContact O-OG1 3.38Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.46Å; T252-L254 PolarHBondContact O-N 2.88Å; T252-A269 HydrophobicContact CG2-CB 3.95Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å
253	E	96.2	Very high	93.8	Very high	117 Å²	117	89.1 Å²	89.1	55%	0.547	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	109.8	163.6	-173.8	-174.6	-171.4	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.2Å; E253-W268 HydrophobicContact CG-CH2 3.87Å; E253-W268 HydrophobicContact CG-CZ3 3.82Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.45Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.09Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.27Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.5Å; E253-A270 PolarHBondContact O-N 3.25Å
254	L	96.1	Very high	93.8	Very high	91 Å²	91	86.8 Å²	86.8	48%	0.476	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.9	178.9	-174.3	68.7	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.2Å; T252-L254 HydrophobicContact CG2-CB 4.46Å; T252-L254 PolarHBondContact O-N 2.88Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255	V	96.2	Very high	94	Very high	34 Å²	34	83.1 Å²	83.1	21%	0.206	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-83	153.4	175.5	-65.3	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.19Å; V255-K267 WeakPolarHBondContact O-CG 3.36Å; V255-K267 PolarHBondContact O-NZ 3.01Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.36Å; V255-W268 PolarHBondContact N-O 3.13Å
256	E	96.4	Very high	94.3	Very high	173 Å²	173	83 Å²	83	81%	0.808	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-56.9	148	167.1	-68.6	-177.5	179.4	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.2Å
257	T	97.7	Very high	94.5	Very high	46 Å²	46	77.1 Å²	77.1	28%	0.282	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68.5	129.8	174.1	-56.5	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.39Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 2.56Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
258	R	97.1	Very high	94.7	Very high	102 Å²	102	73.8 Å²	73.8	39%	0.385	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.3	-174.8	68.9	-167.8	-179.2	-178.1	4.2	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.2Å; R258-F265 WeakPolarHBondContact O-CA 3.31Å; R258-Q266 HydrophobicContact CG-CG 3.6Å; R258-Q266 PolarHBondContact N-O 3.27Å; R258-Q266 WeakPolarHBondContact O-CG 3.42Å; R258-Q266 PolarHBondContact O-N 2.77Å
259	P	97	Very high	94.9	Very high	93 Å²	93	72.6 Å²	72.6	60%	0.604	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	145.5	178.3	28.7	-34.7	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
260	A	96.3	Very high	95.4	Very high	50 Å²	50	67.5 Å²	67.5	41%	0.413	36%	0.363	S	S	.	.			trans	-89.8	-15.5	173	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.43Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 WeakPolarHBondContact CB-OG1 3.49Å; A260-T264 PolarHBondContact N-O 3.04Å
261	G	92.4	Very high	95.9	Very high	78 Å²	78	58.4 Å²	58.4	80%	0.804	32%	0.32	S	S	*	.	S	Bend	trans	95	-1.8	-180	0	0	0	0	0	114.7
262	D	92.4	Very high	96.4	Very high	108 Å²	108	56.5 Å²	56.5	58%	0.578	31%	0.312	S	S	*	.	S	Bend	trans	-120.5	32.3	-179.1	64.6	-4.5	0	0	0	111.8	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.43Å; D262-T264 PolarHBondContact O-N 3.25Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 2.78Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 3.48Å
263	R	92.1	Very high	96.6	Very high	61 Å²	61	55.4 Å²	55.4	23%	0.23	31%	0.306	C	S	.	.	S	Bend	trans	74.1	-22.6	-168.9	-176.7	-175.4	174.5	-141.3	-10	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.87Å; T202-R263 VanDerWaalsContact CA-NH1 3.28Å; T202-R263 VanDerWaalsContact CB-NH1 3.31Å; T202-R263 VanDerWaalsContact O-CZ 3.29Å; T202-R263 PolarHBondContact O-NH1 2.88Å; T202-R263 PolarHBondContact O-NH2 3.16Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.26Å; Y233-R263 HydrophobicContact CD2-CG 3.88Å; Y233-R263 HydrophobicContact CE2-CG 4.07Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.41Å
264	T	96.8	Very high	96.6	Very high	18 Å²	18	52 Å²	52	11%	0.11	29%	0.293	C	S	.	.			trans	-84.6	167.4	-177.6	75.5	0	0	0	0	113	F232 A260 D262	F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.21Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 WeakPolarHBondContact CB-OG1 3.49Å; A260-T264 PolarHBondContact N-O 3.04Å; D262-T264 PolarHBondContact O-N 3.25Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 2.78Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 3.48Å
265	F	98.2	Very high	96.4	Very high	25 Å²	25	50.2 Å²	50.2	11%	0.11	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	163.5	179.9	-64.6	-88.2	0	0	0	112	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.75Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 2.84Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.22Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 3.26Å; F232-F265 PolarHBondContact O-N 3.47Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 HydrophobicContact CD2-CE2 4.05Å; Y233-F265 HydrophobicContact CE2-CE2 4.45Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.62Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.63Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.31Å; P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.41Å
266	Q	98.3	Very high	96.2	Very high	45 Å²	45	51.7 Å²	51.7	21%	0.21	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.1	174.6	41.5	166.6	-16.8	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.32Å; A229-Q266 WeakPolarHBondContact O-CA 3.23Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.6Å; R258-Q266 PolarHBondContact N-O 3.27Å; R258-Q266 WeakPolarHBondContact O-CG 3.42Å; R258-Q266 PolarHBondContact O-N 2.77Å
267	K	98.5	Very high	96.2	Very high	22 Å²	22	46 Å²	46	10%	0.096	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.4	177.2	-162.3	-176.1	-171.3	69.4	0	109.2	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.25Å; A229-K267 PolarHBondContact O-N 3.11Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.29Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.19Å; V255-K267 WeakPolarHBondContact O-CG 3.36Å; V255-K267 PolarHBondContact O-NZ 3.01Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 2.56Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
268	W	98.3	Very high	96.1	Very high	25 Å²	25	44.8 Å²	44.8	10%	0.095	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.3	169.2	59.2	-99.1	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.31Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.61Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å; E253-W268 HydrophobicContact CB-CZ3 4.2Å; E253-W268 HydrophobicContact CG-CH2 3.87Å; E253-W268 HydrophobicContact CG-CZ3 3.82Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.45Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.09Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.36Å; V255-W268 PolarHBondContact N-O 3.13Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.2	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.4	173.6	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.44Å; C227-A269 PolarHBondContact N-O 2.6Å; C227-A269 PolarHBondContact O-N 2.85Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 2.77Å; T252-A269 HydrophobicContact CG2-CB 3.95Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.27Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270	A	97.9	Very high	96	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145	-179.7	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.85Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.5Å; E253-A270 PolarHBondContact O-N 3.25Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	97.9	Very high	96.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.9	176.3	62.5	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.02Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 2.84Å; L225-V271 PolarHBondContact O-N 2.8Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.77Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.41Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4Å
272	V	97.5	Very high	96.3	Very high	71 Å²	71	39.6 Å²	39.6	43%	0.43	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.1	171.4	-178.8	0	0	0	0	108.2	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 3.99Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; A223-V272 WeakPolarHBondContact O-CA 3.49Å
273	V	96.6	Very high	96.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.6	-175.7	-51.7	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.5Å; A223-V273 PolarHBondContact N-O 2.82Å; A223-V273 PolarHBondContact O-N 3.02Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.16Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.61Å; V273-Y281 HydrophobicContact CG1-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.5	Very high	96.9	Very high	44 Å²	44	33.1 Å²	33.1	29%	0.286	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	140.3	170.5	-20	32.2	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.5Å; H221-P274 WeakPolarHBondContact O-CA 3.39Å; P274-G276 PolarHBondContact O-N 2.87Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.16Å; P274-E277 PolarHBondContact O-N 2.81Å
275	S	93.4	Very high	96.9	Very high	55 Å²	55	32.3 Å²	32.3	39%	0.385	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	127.3	175.2	-63.8	0	0	0	0	110.9	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.37Å; H221-S275 PolarHBondContact O-N 2.83Å; H221-S275 PolarHBondContact O-OG 2.84Å; E222-S275 PolarHBondContact N-OG 3.26Å; S275-E278 WeakPolarHBondContact CA-OE1 3.33Å
276	G	92.1	Very high	96.9	Very high	65 Å²	65	34.3 Å²	34.3	67%	0.67	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	-6.3	-178.6	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 2.87Å; G276-E278 WeakPolarHBondContact CA-OE2 3.43Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.87Å; G276-E278 PolarHBondContact N-OE2 2.82Å
277	E	95.7	Very high	96.8	Very high	53 Å²	53	32.6 Å²	32.6	25%	0.248	18%	0.18	C	C	.	.			trans	-99.9	3.5	176	-65.2	-158.7	-153.6	0	0	113.7	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.49Å; R243-E277 IonicContact NE-OE2 2.7Å; R243-E277 IonicContact NH2-OE1 3.66Å; R243-E277 IonicContact NH2-OE2 3.6Å; R243-E277 PolarHBondContact NH2-OE2 2.82Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.16Å; P274-E277 PolarHBondContact O-N 2.81Å; E277-Q279 PolarHBondContact O-N 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.27Å; E277-R280 PolarHBondContact O-N 2.86Å; E277-R280 IonicContact OE1-NH1 3.8Å; E277-R280 IonicContact OE2-CZ 2.81Å; E277-R280 IonicContact OE2-NE 2.62Å; E277-R280 IonicContact OE2-NH1 3.4Å; E277-R280 PolarHBondContact OE2-NH1 3.33Å; E277-Y281 HydrophobicContact CB-CE2 4.43Å; E277-Y281 WeakPolarHBondContact O-CD2 3.09Å
278	E	95.1	Very high	96.5	Very high	20 Å²	20	35.4 Å²	35.4	9%	0.093	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.9	-170.7	-57	81	-177.7	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.51Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.5Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.33Å; G276-E278 WeakPolarHBondContact CA-OE2 3.43Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.87Å; G276-E278 PolarHBondContact N-OE2 2.82Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.07Å; E278-Y281 PolarHBondContact O-N 3.09Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	95.3	Very high	96.3	Very high	95 Å²	95	35.1 Å²	35.1	44%	0.444	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-72.5	-16.1	-178.9	-62.7	-57	-45.8	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.31Å; Q279-R297 PolarHBondContact O-NE 3.47Å; Q279-W298 PolarHBondContact NE2-O 3.45Å
280	R	96.7	Very high	96.1	Very high	100 Å²	100	36.3 Å²	36.3	38%	0.377	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-75.7	-17.1	172.7	-63.6	173.8	68.3	177.8	5.5	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.46Å; R243-R280 HydrophobicContact CG-CB 4.37Å; D244-R280 PolarHBondContact N-O 2.87Å; D244-R280 IonicContact OD1-NE 3.1Å; D244-R280 PolarHBondContact OD1-NE 3.13Å; D244-R280 IonicContact OD2-CZ 3.77Å; D244-R280 IonicContact OD2-NE 3.04Å; D244-R280 PolarHBondContact OD2-NE 3.2Å; D244-R280 IonicContact OD2-NH2 3.66Å; D244-R280 PolarHBondContact OD2-NH2 2.83Å; E277-R280 WeakPolarHBondContact O-CB 3.27Å; E277-R280 PolarHBondContact O-N 2.86Å; E277-R280 IonicContact OE1-NH1 3.8Å; E277-R280 IonicContact OE2-CZ 2.81Å; E277-R280 IonicContact OE2-NE 2.62Å; E277-R280 IonicContact OE2-NH1 3.4Å; E277-R280 PolarHBondContact OE2-NH1 3.33Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.07Å
281	Y	97.5	Very high	95.9	Very high	6 Å²	6	42.7 Å²	42.7	2%	0.024	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.2	-177.6	-69.1	-100.5	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.32Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.61Å; V273-Y281 HydrophobicContact CG1-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.43Å; E277-Y281 WeakPolarHBondContact O-CD2 3.09Å; E278-Y281 PolarHBondContact O-N 3.09Å
282	T	97.9	Very high	95.6	Very high	13 Å²	13	49.8 Å²	49.8	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.3	175.6	47.9	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.16Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; Q242-T282 PolarHBondContact N-O 3.37Å; Q242-T282 PolarHBondContact O-N 2.87Å; T282-H284 PolarHBondContact OG1-NE2 3.17Å; T282-H284 VanDerWaalsContact OG1-NE2 3.08Å; T282-T295 HydrophobicContact CG2-CG2 3.93Å; T282-L296 CarbonylContact C-O 3.49Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.38Å; T282-R297 HydrophobicContact CG2-CG 3.63Å
283	C	98.1	Very high	95.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.1	169.7	174.6	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.3Å; C227-C283 WeakPolarHBondContact SG-CB 3.4Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.1Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.37Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.2Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 2.85Å; C283-L296 PolarHBondContact O-N 3.33Å
284	H	97.8	Very high	95.6	Very high	34 Å²	34	52.3 Å²	52.3	16%	0.157	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.5	176.6	-65.8	-110.7	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.47Å; T240-H284 PolarHBondContact N-O 3.09Å; T240-H284 PolarHBondContact O-N 2.68Å; Q242-H284 PolarHBondContact OE1-NE2 3.01Å; T282-H284 PolarHBondContact OG1-NE2 3.17Å; T282-H284 VanDerWaalsContact OG1-NE2 3.08Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 PolarHBondContact CE1-OG1 2.91Å; H284-T295 PolarHBondContact ND1-OG1 3.22Å
285	V	98	Very high	95.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123	-178.7	-174.2	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.11Å; T211-V285 HydrophobicContact CG2-CG2 4Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.48Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.05Å; V285-L294 PolarHBondContact O-N 2.95Å; V285-L296 HydrophobicContact CG2-CD1 3.8Å
286	Q	97.3	Very high	95.8	Very high	67 Å²	67	53 Å²	53	31%	0.313	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.7	174.2	-52.5	178.5	15.7	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.31Å; T238-Q286 PolarHBondContact N-O 3.28Å; T238-Q286 PolarHBondContact O-N 2.64Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
287	H	95.8	Very high	96	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.046	29%	0.285	C	S	.	.			trans	-158.4	146.9	-177.9	-174.9	-100	0	0	0	108.9	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.05Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.71Å; Y233-H287 PolarHBondContact O-CE1 2.88Å; P234-H287 PolarHBondContact O-NE2 3.28Å; E236-H287 PolarHBondContact O-CD2 3.18Å; E236-H287 VanDerWaalsContact O-CD2 3.23Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.09Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.05Å; H287-G289 PolarHBondContact O-N 3.48Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.18Å; H287-L290 WeakPolarHBondContact O-CB 3.32Å; H287-L290 PolarHBondContact O-N 3.36Å
288	E	92.9	Very high	96	Very high	81 Å²	81	56.5 Å²	56.5	38%	0.379	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.2	-179	-173	-175.7	174.3	0	0	112.9	W23 A206 P234 L290	W23-E288 HydrophobicContact CE3-CB 4.42Å; A206-E288 HydrophobicContact CB-CG 4.39Å; P234-E288 WeakPolarHBondContact CG-OE2 3.42Å; E288-L290 PolarHBondContact O-N 3.48Å
289	G	93.2	Very high	95.8	Very high	18 Å²	18	63.5 Å²	63.5	19%	0.186	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.2	178.1	0	0	0	0	0	114	P208 H287	P208-G289 WeakPolarHBondContact CB-O 3.38Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.05Å; H287-G289 PolarHBondContact O-N 3.48Å
290	L	95	Very high	95.2	Very high	26 Å²	26	62.8 Å²	62.8	14%	0.136	32%	0.318	C	S	.	.			trans	-95.8	125.6	179.3	-66.2	171.1	0	0	0	111	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.92Å; P208-L290 HydrophobicContact CB-CG 4.45Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.45Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.18Å; H287-L290 WeakPolarHBondContact O-CB 3.32Å; H287-L290 PolarHBondContact O-N 3.36Å; E288-L290 PolarHBondContact O-N 3.48Å; L290-K292 WeakPolarHBondContact CB-O 3.44Å; L290-K292 PolarHBondContact O-N 3.14Å; L290-K292 VanDerWaalsContact O-N 3.16Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CD2 4.49Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	P	92.9	Very high	93.6	Very high	136 Å²	136	62.9 Å²	62.9	88%	0.883	33%	0.334	S	S	*	.	S	Bend	trans	-66.6	-20.6	177.1	28.2	-35.6	0	0	0	112.9
292	K	93.3	Very high	91.2	Very high	150 Å²	150	68 Å²	68	65%	0.652	37%	0.371	S	S	*	.	S	Bend	trans	-151.5	150.8	171.9	61.5	-179.2	-179.7	178	0	109.3	L290	L290-K292 WeakPolarHBondContact CB-O 3.44Å; L290-K292 PolarHBondContact O-N 3.14Å; L290-K292 VanDerWaalsContact O-N 3.16Å
293	P	95.6	Very high	88.7	Confident	73 Å²	73	75.6 Å²	75.6	47%	0.474	41%	0.405	S	S	.	.			trans	-52.5	142.5	173	-27.7	36	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.48Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
294	L	96.7	Very high	86.1	Confident	52 Å²	52	80 Å²	80	27%	0.272	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.9	174.2	-62.4	178.6	0	0	0	110.2	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.27Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.05Å; V285-L294 PolarHBondContact O-N 2.95Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CD2 4.49Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L294-L296 HydrophobicContact CB-CD1 4.05Å
295	T	97.8	Very high	83.7	Confident	84 Å²	84	84.2 Å²	84.2	52%	0.515	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.3	170.9	-58.1	0	0	0	0	108.2	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.93Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.2Å; H284-T295 PolarHBondContact CE1-OG1 2.91Å; H284-T295 PolarHBondContact ND1-OG1 3.22Å
296	L	97.1	Very high	81.6	Confident	29 Å²	29	87.7 Å²	87.7	15%	0.152	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.8	-178.2	-61.7	99.2	0	0	0	110.7	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.46Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.23Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-L296 HydrophobicContact CG2-CD2 4.49Å; T282-L296 CarbonylContact C-O 3.49Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.38Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 2.85Å; C283-L296 PolarHBondContact O-N 3.33Å; V285-L296 HydrophobicContact CG2-CD1 3.8Å; L294-L296 HydrophobicContact CB-CD1 4.05Å
297	R	96.3	Very high	79.6	Confident	144 Å²	144	88.5 Å²	88.5	54%	0.543	50%	0.496	S	S	.	.			trans	-115.9	163	163.9	-71	-171.5	175.9	114	3.7	109	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.47Å; T282-R297 HydrophobicContact CG2-CG 3.63Å; R297-E299 PolarHBondContact O-N 3.1Å
298	W	95.9	Very high	77.9	Confident	48 Å²	48	93.9 Å²	93.9	18%	0.182	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-68.9	121.2	166.8	170.9	56.7	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.94Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.4Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3.45Å; W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 4.05Å; W298-P300 HydrophobicContact CZ3-CG 4.09Å
299	E	90	Very high	76.4	Confident	167 Å²	167	95.7 Å²	95.7	78%	0.78	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-98.4	118.1	169	-69.8	-178.1	175	0	0	108.4	R297 S301	R297-E299 PolarHBondContact O-N 3.1Å; E299-S301 PolarHBondContact O-N 2.92Å; E299-S301 VanDerWaalsContact O-N 3.09Å
300	P	82.5	Confident	75.2	Confident	80 Å²	80	96.9 Å²	96.9	52%	0.519	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-57.5	120.4	171.1	-18.6	29.4	0	0	0	107.5	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 4.05Å; W298-P300 HydrophobicContact CZ3-CG 4.09Å; P300-S302 PolarHBondContact O-N 3.33Å
301	S	63.1	Low	74.2	Confident	103 Å²	103	100.1 Å²	100.1	72%	0.72	57%	0.569	S	S	*	*			trans	-52.7	112.6	178.1	45.9	0	0	0	0	108.4	E299 Q303	E299-S301 PolarHBondContact O-N 2.92Å; E299-S301 VanDerWaalsContact O-N 3.09Å; S301-Q303 PolarHBondContact O-N 2.97Å
302	S	48.3	Very low	73.4	Confident	114 Å²	114	97.9 Å²	97.9	80%	0.797	55%	0.553	S	S	*	*			trans	-68.6	76.9	162.7	60.2	0	0	0	0	106.3	P300 S304	P300-S302 PolarHBondContact O-N 3.33Å; S302-S304 PolarHBondContact O-N 2.93Å
303	Q	45.1	Very low	72.6	Confident	171 Å²	171	93.3 Å²	93.3	80%	0.799	54%	0.543	S	S	*	.			trans	-57.3	92.8	145	-84.2	-173.7	-10.6	0	0	103.4	S301 T305	S301-Q303 PolarHBondContact O-N 2.97Å; Q303-T305 PolarHBondContact O-N 3.31Å
304	S	43	Very low	72	Confident	92 Å²	92	91.5 Å²	91.5	64%	0.643	54%	0.537	S	S	*	.			trans	-55.5	97.9	164.6	-177	0	0	0	0	103.5	S302 V306	S302-S304 PolarHBondContact O-N 2.93Å; S304-V306 PolarHBondContact O-N 3.07Å
305	T	47.9	Very low	71.4	Confident	124 Å²	124	94.2 Å²	94.2	76%	0.761	55%	0.552	S	S	*	*			trans	-64.4	71.7	155.4	-43.7	0	0	0	0	104.3	Q303 P307	Q303-T305 PolarHBondContact O-N 3.31Å; T305-P307 WeakPolarHBondContact O-CD 3.36Å
306	V	53.6	Low	70.7	Confident	73 Å²	73	92.8 Å²	92.8	44%	0.442	55%	0.548	S	S	.	.			trans	-45.4	120.1	152.6	178	0	0	0	0	102.5	S304 I308 I311	S304-V306 PolarHBondContact O-N 3.07Å; V306-I308 PolarHBondContact O-N 3.17Å; V306-I311 HydrophobicContact CG1-CD1 3.94Å
307	P	55.9	Low	70.2	Confident	83 Å²	83	96 Å²	96	54%	0.539	57%	0.569	S	S	.	*			trans	-71.7	83.1	-172.9	28.6	-32.5	0	0	0	106.3	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.36Å; P307-V309 PolarHBondContact O-N 3.03Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.4Å; P307-G310 PolarHBondContact O-N 3.31Å; P307-I311 PolarHBondContact O-N 2.94Å; P307-I311 VanDerWaalsContact O-N 3.07Å
308	I	60.1	Low	69.7	Low	123 Å²	123	94.4 Å²	94.4	63%	0.631	57%	0.57	S	S	*	*	H	α-helix	trans	-54.3	-34.6	174.6	-67.6	168.2	0	0	0	107.7	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 3.17Å; I308-G310 PolarHBondContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 2.91Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.12Å; I308-V312 WeakPolarHBondContact O-CG2 3.38Å; I308-V312 PolarHBondContact O-N 3.5Å
309	V	61.6	Low	69.1	Low	120 Å²	120	94.5 Å²	94.5	73%	0.727	58%	0.581	S	S	*	*	H	α-helix	trans	-59.6	-41.8	171.2	-178.3	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 3.03Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 WeakPolarHBondContact O-CB 3.05Å; V309-A313 PolarHBondContact O-N 3.01Å
310	G	67.3	Low	68.9	Low	42 Å²	42	91.4 Å²	91.4	43%	0.433	57%	0.574	S	S	.	*	H	α-helix	trans	-69	-38.2	178.4	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.4Å; P307-G310 PolarHBondContact O-N 3.31Å; I308-G310 PolarHBondContact O-N 3.12Å; G310-G314 PolarHBondContact O-N 3.41Å
311	I	74.4	Confident	69.1	Low	95 Å²	95	92 Å²	92	49%	0.487	58%	0.576	S	S	.	*	H	α-helix	trans	-69.4	-44	175.9	-62	174.1	0	0	0	110.5	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 3.94Å; P307-I311 PolarHBondContact O-N 2.94Å; P307-I311 VanDerWaalsContact O-N 3.07Å; I308-I311 PolarHBondContact O-N 2.91Å; I311-G314 PolarHBondContact O-N 2.83Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 WeakPolarHBondContact O-CG 3.14Å; I311-L315 PolarHBondContact O-N 2.98Å
312	V	76.1	Confident	70.2	Confident	89 Å²	89	91 Å²	91	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-65.2	-43.3	177.9	172.1	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.12Å; I308-V312 WeakPolarHBondContact O-CG2 3.38Å; I308-V312 PolarHBondContact O-N 3.5Å; V312-L315 PolarHBondContact O-N 3.23Å; V312-A316 WeakPolarHBondContact O-CB 3.31Å; V312-A316 PolarHBondContact O-N 2.72Å
313	A	77.1	Confident	71.9	Confident	53 Å²	53	90.9 Å²	90.9	44%	0.438	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-43.2	175	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.05Å; V309-A313 PolarHBondContact O-N 3.01Å; A313-A316 PolarHBondContact O-N 2.84Å; A313-V317 VanDerWaalsContact O-CG2 3.31Å; A313-V317 WeakPolarHBondContact O-CG2 3.34Å; A313-V317 PolarHBondContact O-N 3.5Å
314	G	81.6	Confident	73.7	Confident	35 Å²	35	84.7 Å²	84.7	36%	0.361	54%	0.536	S	S	.	.	H	α-helix	trans	-60.8	-45	176.5	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.41Å; I311-G314 PolarHBondContact O-N 2.83Å; G314-V317 PolarHBondContact O-N 3.15Å; G314-L318 WeakPolarHBondContact O-CB 3.49Å; G314-L318 PolarHBondContact O-N 2.87Å
315	L	85.1	Confident	75.5	Confident	110 Å²	110	83.2 Å²	83.2	58%	0.576	53%	0.53	S	S	*	.	H	α-helix	trans	-66.7	-38.6	177.3	-72.8	171.7	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 WeakPolarHBondContact O-CG 3.14Å; I311-L315 PolarHBondContact O-N 2.98Å; V312-L315 PolarHBondContact O-N 3.23Å; L315-L318 PolarHBondContact O-N 2.67Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.31Å
316	A	83.6	Confident	77.2	Confident	54 Å²	54	81.3 Å²	81.3	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176.4	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.31Å; V312-A316 PolarHBondContact O-N 2.72Å; A313-A316 PolarHBondContact O-N 2.84Å; A316-A319 PolarHBondContact O-N 3.26Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 2.98Å; A316-V320 VanDerWaalsContact O-N 3.08Å
317	V	85.1	Confident	78.5	Confident	96 Å²	96	81.5 Å²	81.5	58%	0.582	52%	0.519	S	S	*	.	H	α-helix	trans	-63.6	-44.5	176.2	173.7	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 VanDerWaalsContact O-CG2 3.31Å; A313-V317 WeakPolarHBondContact O-CG2 3.34Å; A313-V317 PolarHBondContact O-N 3.5Å; G314-V317 PolarHBondContact O-N 3.15Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.32Å; V317-V320 PolarHBondContact O-N 3.36Å; V317-V321 HydrophobicContact CG1-CG2 4.45Å; V317-V321 WeakPolarHBondContact O-CG2 3.47Å; V317-V321 PolarHBondContact O-N 3.11Å
318	L	85.8	Confident	79.5	Confident	110 Å²	110	80.1 Å²	80.1	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-59	-43.9	176	-107.3	154.6	0	0	0	112.2	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.49Å; G314-L318 PolarHBondContact O-N 2.87Å; L315-L318 PolarHBondContact O-N 2.67Å; L318-V320 PolarHBondContact O-N 3.04Å; L318-V321 PolarHBondContact O-N 3.05Å; L318-V322 VanDerWaalsContact O-CG2 3.28Å; L318-V322 WeakPolarHBondContact O-CG2 3.28Å; L318-V322 PolarHBondContact O-N 3.4Å
319	A	84.6	Confident	80.2	Confident	50 Å²	50	76.8 Å²	76.8	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-43.6	177.2	0	0	0	0	0	112	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.31Å; A316-A319 PolarHBondContact O-N 3.26Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.32Å; A319-V322 PolarHBondContact O-N 2.7Å; A319-I323 WeakPolarHBondContact O-CB 3.34Å; A319-I323 WeakPolarHBondContact O-CD1 3.45Å; A319-I323 WeakPolarHBondContact O-CG1 3.49Å; A319-I323 PolarHBondContact O-N 3.35Å
320	V	85.4	Confident	80.8	Confident	102 Å²	102	75 Å²	75	62%	0.618	50%	0.495	S	S	*	.	H	α-helix	trans	-63.5	-42.3	177.1	173.5	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 2.98Å; A316-V320 VanDerWaalsContact O-N 3.08Å; V317-V320 PolarHBondContact O-N 3.36Å; L318-V320 PolarHBondContact O-N 3.04Å; V320-I323 PolarHBondContact O-N 3.02Å; V320-G324 PolarHBondContact O-N 3.17Å
321	V	87.1	Confident	81.2	Confident	93 Å²	93	79.2 Å²	79.2	56%	0.564	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-44.1	177.8	172.1	0	0	0	0	111.2	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.45Å; V317-V321 WeakPolarHBondContact O-CG2 3.47Å; V317-V321 PolarHBondContact O-N 3.11Å; L318-V321 PolarHBondContact O-N 3.05Å; V321-G324 PolarHBondContact O-N 2.89Å; V321-A325 WeakPolarHBondContact O-CB 3.43Å; V321-A325 PolarHBondContact O-N 2.93Å
322	V	84.7	Confident	80.8	Confident	82 Å²	82	79 Å²	79	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-64.5	-45.2	178.5	172.7	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.28Å; L318-V322 WeakPolarHBondContact O-CG2 3.28Å; L318-V322 PolarHBondContact O-N 3.4Å; A319-V322 PolarHBondContact O-N 2.7Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.9Å; V322-A325 PolarHBondContact O-N 2.95Å; V322-V326 HydrophobicContact CG1-CG2 4.44Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.12Å; V322-V326 PolarHBondContact O-N 2.85Å
323	I	83.8	Confident	80.2	Confident	111 Å²	111	84.3 Å²	84.3	57%	0.569	52%	0.521	S	S	*	.	H	α-helix	trans	-61.4	-44.9	176.5	-67.2	165.3	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.34Å; A319-I323 WeakPolarHBondContact O-CD1 3.45Å; A319-I323 WeakPolarHBondContact O-CG1 3.49Å; A319-I323 PolarHBondContact O-N 3.35Å; V320-I323 PolarHBondContact O-N 3.02Å; I323-A325 PolarHBondContact O-N 3.28Å; I323-V326 PolarHBondContact O-N 3.37Å; I323-V327 HydrophobicContact CG2-CG2 4.38Å; I323-V327 VanDerWaalsContact O-CG2 3.29Å; I323-V327 WeakPolarHBondContact O-CG2 3.5Å; I323-V327 PolarHBondContact O-N 3.16Å
324	G	83.7	Confident	79.3	Confident	41 Å²	41	91.8 Å²	91.8	42%	0.423	54%	0.538	S	S	.	.	H	α-helix	trans	-59.2	-44.2	176.2	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.17Å; V321-G324 PolarHBondContact O-N 2.89Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.9Å; G324-V327 PolarHBondContact O-N 2.93Å; G324-A328 WeakPolarHBondContact O-CB 3.25Å; G324-A328 PolarHBondContact O-N 2.8Å
325	A	81.9	Confident	77.9	Confident	61 Å²	61	99.2 Å²	99.2	50%	0.504	56%	0.56	S	S	.	*	H	α-helix	trans	-65	-41.4	177.4	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.43Å; V321-A325 PolarHBondContact O-N 2.93Å; V322-A325 PolarHBondContact O-N 2.95Å; I323-A325 PolarHBondContact O-N 3.28Å; A325-A328 PolarHBondContact O-N 2.74Å; A325-A329 WeakPolarHBondContact O-CB 3.43Å; A325-A329 PolarHBondContact O-N 3.24Å
326	V	82.9	Confident	76.4	Confident	84 Å²	84	98.4 Å²	98.4	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-64.7	-45	176.4	171.8	0	0	0	0	110.8	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.44Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.12Å; V322-V326 PolarHBondContact O-N 2.85Å; I323-V326 PolarHBondContact O-N 3.37Å; V326-A328 PolarHBondContact O-N 3.28Å; V326-A329 PolarHBondContact O-N 3.21Å; V326-V330 HydrophobicContact CG1-CG2 4.36Å; V326-V330 WeakPolarHBondContact O-CB 3.49Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.45Å; V326-V330 PolarHBondContact O-N 2.9Å
327	V	81.4	Confident	74.8	Confident	77 Å²	77	100.3 Å²	100.3	47%	0.467	57%	0.574	S	S	.	*	H	α-helix	trans	-61.9	-45.1	177.1	172.2	0	0	0	0	110.8	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.38Å; I323-V327 VanDerWaalsContact O-CG2 3.29Å; I323-V327 WeakPolarHBondContact O-CG2 3.5Å; I323-V327 PolarHBondContact O-N 3.16Å; G324-V327 PolarHBondContact O-N 2.93Å; V327-A329 PolarHBondContact O-N 3.09Å; V327-V330 PolarHBondContact O-N 3.2Å; V327-M331 HydrophobicContact CG1-CG 4.47Å; V327-M331 HydrophobicContact CG1-SD 4.17Å; V327-M331 WeakPolarHBondContact O-CB 3.18Å; V327-M331 WeakPolarHBondContact O-CG 3.15Å; V327-M331 PolarHBondContact O-N 2.83Å
328	A	76.1	Confident	73	Confident	54 Å²	54	99.3 Å²	99.3	45%	0.446	58%	0.583	S	S	.	*	H	α-helix	trans	-61.1	-44.3	176.1	0	0	0	0	0	112.1	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.25Å; G324-A328 PolarHBondContact O-N 2.8Å; A325-A328 PolarHBondContact O-N 2.74Å; V326-A328 PolarHBondContact O-N 3.28Å; A328-M331 PolarHBondContact O-N 3.27Å; A328-C332 WeakPolarHBondContact O-CB 3.43Å; A328-C332 PolarHBondContact O-N 3.18Å
329	A	75.2	Confident	70.9	Confident	53 Å²	53	97.5 Å²	97.5	44%	0.438	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-40.9	177.1	0	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.43Å; A325-A329 PolarHBondContact O-N 3.24Å; V326-A329 PolarHBondContact O-N 3.21Å; V327-A329 PolarHBondContact O-N 3.09Å; A329-C332 PolarHBondContact O-N 3.25Å; A329-R333 WeakPolarHBondContact O-CB 3.34Å; A329-R333 PolarHBondContact O-N 2.66Å
330	V	74.9	Confident	68.6	Low	83 Å²	83	105.5 Å²	105.5	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-66.3	-41.3	176	170.3	0	0	0	0	111.1	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.36Å; V326-V330 WeakPolarHBondContact O-CB 3.49Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.45Å; V326-V330 PolarHBondContact O-N 2.9Å; V327-V330 PolarHBondContact O-N 3.2Å; V330-R333 PolarHBondContact O-N 2.64Å; V330-R334 WeakPolarHBondContact O-CB 3.33Å; V330-R334 PolarHBondContact O-N 2.74Å
331	M	73.8	Confident	66.3	Low	130 Å²	130	104.4 Å²	104.4	64%	0.64	63%	0.625	S	S	*	*	H	α-helix	trans	-65.5	-40.9	175.4	-73.5	-174.9	69.1	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.47Å; V327-M331 HydrophobicContact CG1-SD 4.17Å; V327-M331 WeakPolarHBondContact O-CB 3.18Å; V327-M331 WeakPolarHBondContact O-CG 3.15Å; V327-M331 PolarHBondContact O-N 2.83Å; A328-M331 PolarHBondContact O-N 3.27Å; M331-R334 PolarHBondContact O-N 3.06Å; M331-K335 WeakPolarHBondContact O-CB 3.18Å; M331-K335 PolarHBondContact O-N 2.73Å
332	C	67	Low	63.8	Low	92 Å²	92	103.8 Å²	103.8	62%	0.622	64%	0.638	S	S	*	*	H	α-helix	trans	-61.4	-43.8	172.4	-81.3	0	0	0	0	111.7	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.43Å; A328-C332 PolarHBondContact O-N 3.18Å; A329-C332 PolarHBondContact O-N 3.25Å; C332-K335 PolarHBondContact O-N 3.01Å; C332-S336 PolarHBondContact O-N 3.34Å; C332-S336 VanDerWaalsContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 3.25Å
333	R	64.1	Low	61.3	Low	200 Å²	200	105.9 Å²	105.9	76%	0.755	66%	0.656	S	S	*	*	H	α-helix	trans	-65	-38.5	176.4	-81.8	-170.8	169.6	-176.5	-1.5	113.2	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.34Å; A329-R333 PolarHBondContact O-N 2.66Å; V330-R333 PolarHBondContact O-N 2.64Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 2.73Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-N 2.9Å; R333-S336 PolarHBondContact O-OG 3.35Å; R333-S337 PolarHBondContact O-N 3.16Å
334	R	58	Low	59	Low	210 Å²	210	110.3 Å²	110.3	79%	0.792	67%	0.667	S	S	*	*	H	α-helix	trans	-66.9	-29.4	174.3	-109.6	-177.2	171.8	179.1	-1.8	112.8	V330 M331	V330-R334 WeakPolarHBondContact O-CB 3.33Å; V330-R334 PolarHBondContact O-N 2.74Å; M331-R334 PolarHBondContact O-N 3.06Å
335	K	52.8	Low	56.7	Low	190 Å²	190	114.5 Å²	114.5	83%	0.826	69%	0.69	S	S	*	*	H	α-helix	trans	-79.4	-22.9	176.9	-160.6	169.9	-178.8	178.7	0	112.9	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.18Å; M331-K335 PolarHBondContact O-N 2.73Å; C332-K335 PolarHBondContact O-N 3.01Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 2.73Å
336	S	52.8	Low	54.6	Low	93 Å²	93	120 Å²	120	65%	0.65	71%	0.706	S	S	*	*	H	α-helix	trans	-90.5	-9.1	176.1	51.6	0	0	0	0	115.3	C332 R333 G338	C332-S336 PolarHBondContact O-N 3.34Å; C332-S336 VanDerWaalsContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 3.25Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-N 2.9Å; R333-S336 PolarHBondContact O-OG 3.35Å; S336-G338 VanDerWaalsContact C-N 3.35Å; S336-G338 PolarHBondContact O-N 3.28Å
337	S	49.1	Very low	52.2	Low	95 Å²	95	120.7 Å²	120.7	66%	0.664	72%	0.72	S	S	*	*			trans	-96.3	31.1	-179.2	74.4	0	0	0	0	114	R333	R333-S337 PolarHBondContact O-N 3.16Å
338	G	47	Very low	49.9	Very low	75 Å²	75	121.6 Å²	121.6	77%	0.773	74%	0.735	S	S	*	*	S	Bend	trans	-118.4	78.9	173.7	0	0	0	0	0	111.6	S336	S336-G338 VanDerWaalsContact C-N 3.35Å; S336-G338 PolarHBondContact O-N 3.28Å
339	G	42.9	Very low	47.9	Very low	71 Å²	71	124.5 Å²	124.5	73%	0.732	75%	0.751	S	S	*	*			trans	143.6	125.8	157.7	0	0	0	0	0	117.8
340	K	36.8	Very low	46.1	Very low	219 Å²	219	128 Å²	128	95%	0.952	77%	0.772	S	S	*	*			trans	78.7	129	163.4	-68.7	169.3	172.6	172.4	0	116.5
341	G	36.6	Very low	44.4	Very low	78 Å²	78	131 Å²	131	80%	0.804	79%	0.786	S	S	*	*			cis	116.9	95.5	14.5	0	0	0	0	0	110.7
342	G	34.1	Very low	42.9	Very low	80 Å²	80	130.8 Å²	130.8	83%	0.825	80%	0.797	S	S	*	*			trans	55	124.4	152.5	0	0	0	0	0	121.5
343	S	32.6	Very low	41.7	Very low	127 Å²	127	131 Å²	131	89%	0.888	81%	0.806	S	S	*	*				163.3	149.1	104.5	-168.9	0	0	0	0	112.5
344	Y	36.2	Very low	40.7	Very low	203 Å²	203	131.3 Å²	131.3	80%	0.796	82%	0.815	S	S	*	*			trans	-55.4	152.3	-179.2	-102.2	-108.4	0	0	0	116.1
345	S	34.6	Very low	39.6	Very low	129 Å²	129	124.4 Å²	124.4	90%	0.902	81%	0.81	S	S	*	*			trans	-157.6	128.4	139.8	-67.2	0	0	0	0	110.3
346	Q	36.7	Very low	39	Very low	178 Å²	178	120.7 Å²	120.7	83%	0.832	81%	0.808	S	S	*	*			trans	-105.2	144.8	-179	173.4	-177.2	2.1	0	0	110.3
347	A	32.6	Very low	38.5	Very low	97 Å²	97	122.9 Å²	122.9	80%	0.802	81%	0.812	S	S	*	*			trans	151.7	145.7	147.6	0	0	0	0	0	109.1
348	A	33.6	Very low	37.9	Very low	97 Å²	97	124.1 Å²	124.1	80%	0.802	82%	0.816	S	S	*	*			cis	-167.4	150.9	-18.9	0	0	0	0	0	106
349	C	33.8	Very low	37.7	Very low	114 Å²	114	125.5 Å²	125.5	77%	0.77	81%	0.813	S	S	*	*			trans	-10.6	141.4	168.7	-110.7	0	0	0	0	121.8
350	S	37.2	Very low	37.7	Very low	127 Å²	127	129.9 Å²	129.9	89%	0.888	82%	0.819	S	S	*	*				-155	128.1	126.5	-58.3	0	0	0	0	110.6
351	D	39.3	Very low	37.7	Very low	147 Å²	147	125.7 Å²	125.7	79%	0.786	81%	0.812	S	S	*	*			trans	-58.1	152	175.6	-77.1	-53.5	0	0	0	114.8
352	S	43.9	Very low	38.1	Very low	125 Å²	125	130.1 Å²	130.1	87%	0.874	84%	0.841	S	S	*	*			trans	-163.2	123.1	131.2	-69	0	0	0	0	109.7
353	A	40.7	Very low	38.3	Very low	97 Å²	97	132.6 Å²	132.6	80%	0.802	84%	0.842	S	S	*	*			trans	-83.7	146.5	176.7	0	0	0	0	0	112.4
354	Q	42.7	Very low	38.6	Very low	205 Å²	205	132.9 Å²	132.9	96%	0.958	84%	0.839	S	S	*	*			trans	161.4	127.1	151.2	-98.8	174.2	-0.6	0	0	105.7
355	G	35.3	Very low	38.7	Very low	66 Å²	66	129 Å²	129	68%	0.68	84%	0.841	S	S	*	*			cis	169.6	148.6	7.3	0	0	0	0	0	105.2
356	S	40.4	Very low	39	Very low	112 Å²	112	129 Å²	129	78%	0.783	84%	0.838	S	S	*	*			trans	26.5	141.8	143.8	-43.8	0	0	0	0	119.5
357	D	41.5	Very low	39.1	Very low	139 Å²	139	125.9 Å²	125.9	74%	0.743	84%	0.838	S	S	*	*			cis	-179.1	134.4	11.9	-107.6	-27.5	0	0	0	104
358	V	38.2	Very low	39.6	Very low	121 Å²	121	127.9 Å²	127.9	73%	0.733	84%	0.841	S	S	*	*				76.4	136.5	103.9	177.8	0	0	0	0	117
359	S	42.9	Very low	40	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	84%	0.844	S	S	*	*			trans	89.7	114.2	164	-26.1	0	0	0	0	115.4
360	L	41.3	Very low	40.5	Very low	163 Å²	163	131.3 Å²	131.3	85%	0.853	85%	0.849	S	S	*	*			cis	60	100.5	39.9	-112	175.4	0	0	0	113.9
361	T	38	Very low	40.7	Very low	131 Å²	131	131.7 Å²	131.7	80%	0.804	85%	0.846	S	S	*	*			trans	176.5	124.2	131.5	19.8	0	0	0	0	107.9
362	A	44.6	Very low	40.9	Very low	171 Å²	171	130.3 Å²	130.3	100%	1.413	85%	0.851	S	S	*	*				74.1	0	89.7	0	0	0	0	0	112.7

Retrieved 362 of 362 residues in 478.9 ms (Link to these results)

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