A0A059UE51_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A059UE51, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 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	34.2	Very low	42.5	Very low	244 Å²	244	139.4 Å²	139.4	100%	1.202	72%	0.715	S	S	*	*				0	103.3	0	-71.7	167	-176.6	0	0	107.9
2	R	34.1	Very low	42.6	Very low	244 Å²	244	138.8 Å²	138.8	92%	0.921	71%	0.713	S	S	*	*			trans	-100.3	107.8	170.3	-93.6	-179	173.9	166.4	-1.9	106.3	T4	R2-T4 PolarHBondContact O-N 3.38Å
3	V	38	Very low	42.3	Very low	141 Å²	141	135.8 Å²	135.8	86%	0.855	70%	0.698	S	S	*	*			trans	-77	103.7	172.1	179.2	0	0	0	0	106.6	A5	V3-A5 PolarHBondContact O-N 3.24Å
4	T	42.7	Very low	41.6	Very low	131 Å²	131	139.7 Å²	139.7	80%	0.804	70%	0.7	S	S	*	*			trans	-75.7	107.9	167.2	39.7	0	0	0	0	108.1	R2	R2-T4 PolarHBondContact O-N 3.38Å
5	A	43.7	Very low	41.5	Very low	59 Å²	59	132.9 Å²	132.9	49%	0.488	68%	0.679	S	S	.	*			trans	-63	144.2	168.1	0	0	0	0	0	109.7	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.24Å; A5-R7 PolarHBondContact O-N 3.04Å; A5-L10 HydrophobicContact CB-CD1 4.25Å
6	P	46.2	Very low	41.5	Very low	75 Å²	75	127.9 Å²	127.9	49%	0.487	66%	0.664	S	S	.	*			trans	-67	131.1	-178.3	-4.1	18.1	0	0	0	109.7	T8 L9	P6-T8 PolarHBondContact O-N 3.4Å; P6-L9 WeakPolarHBondContact O-CB 3.45Å; P6-L9 PolarHBondContact O-N 2.94Å
7	R	46.8	Very low	41.4	Very low	225 Å²	225	124.8 Å²	124.8	85%	0.849	65%	0.652	S	S	*	*	H	α-helix	trans	-52.5	-26.5	178.5	-105.8	176	160.5	131.6	-5.6	113.8	A5 L11	A5-R7 PolarHBondContact O-N 3.04Å; R7-L11 WeakPolarHBondContact O-CG 3.39Å; R7-L11 PolarHBondContact O-N 3.24Å
8	T	48.6	Very low	41.2	Very low	99 Å²	99	120.8 Å²	120.8	61%	0.607	64%	0.64	S	S	*	*	H	α-helix	trans	-70.6	-34.9	175.7	35.4	0	0	0	0	113.4	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.4Å; T8-L11 PolarHBondContact O-N 2.96Å; T8-L12 PolarHBondContact O-N 3.36Å
9	L	42.9	Very low	41	Very low	100 Å²	100	119.3 Å²	119.3	52%	0.524	63%	0.632	S	S	.	*	H	α-helix	trans	-69.9	-35.9	177.7	-142.4	93.4	0	0	0	111.3	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.45Å; P6-L9 PolarHBondContact O-N 2.94Å; L9-L13 WeakPolarHBondContact O-CD1 3.41Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.43Å
10	L	42.2	Very low	40.9	Very low	88 Å²	88	117.8 Å²	117.8	46%	0.461	63%	0.627	S	S	.	*	H	α-helix	trans	-66.7	-38.3	175.4	-104.9	101.9	0	0	0	112.5	A5 W14	A5-L10 HydrophobicContact CB-CD1 4.25Å; L10-W14 PolarHBondContact O-N 3.18Å
11	L	48	Very low	40.7	Very low	127 Å²	127	119.6 Å²	119.6	67%	0.665	63%	0.632	S	S	*	*	H	α-helix	trans	-70.6	-37.9	179.9	-72.3	166.5	0	0	0	112.5	R7 T8 W14 G15	R7-L11 WeakPolarHBondContact O-CG 3.39Å; R7-L11 PolarHBondContact O-N 3.24Å; T8-L11 PolarHBondContact O-N 2.96Å; L11-W14 PolarHBondContact O-N 3.32Å; L11-G15 PolarHBondContact O-N 3.04Å
12	L	43.8	Very low	41.3	Very low	132 Å²	132	112.1 Å²	112.1	69%	0.691	60%	0.6	S	S	*	*	H	α-helix	trans	-67.3	-38.3	175.1	-73.6	163.7	0	0	0	112	T8 W14 G15 A16	T8-L12 PolarHBondContact O-N 3.36Å; L12-W14 VanDerWaalsContact C-N 3.35Å; L12-G15 PolarHBondContact O-N 2.99Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.46Å
13	L	38.1	Very low	42	Very low	100 Å²	100	103.1 Å²	103.1	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-65.7	-36.9	173.5	-77.3	162.6	0	0	0	111.9	L9 V17	L9-L13 WeakPolarHBondContact O-CD1 3.41Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.43Å; L13-V17 VanDerWaalsContact O-CB 3.26Å; L13-V17 WeakPolarHBondContact O-CB 3.47Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.03Å
14	W	33.3	Very low	42.8	Very low	191 Å²	191	99.2 Å²	99.2	72%	0.723	55%	0.549	S	S	*	.	H	α-helix	trans	-72.7	-36	176.7	-78.5	45.3	0	0	0	112.5	L10 L11 L12 A18	L10-W14 PolarHBondContact O-N 3.18Å; L11-W14 PolarHBondContact O-N 3.32Å; L12-W14 VanDerWaalsContact C-N 3.35Å; W14-A18 WeakPolarHBondContact O-CB 3.15Å; W14-A18 PolarHBondContact O-N 3.02Å
15	G	39.8	Very low	44.5	Very low	37 Å²	37	94 Å²	94	38%	0.381	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-43.6	172.5	0	0	0	0	0	112.6	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.04Å; L12-G15 PolarHBondContact O-N 2.99Å; G15-L19 WeakPolarHBondContact O-CB 3.23Å; G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 WeakPolarHBondContact O-CG 3.45Å; G15-L19 PolarHBondContact O-N 2.88Å; G15-L19 VanDerWaalsContact O-N 3.17Å
16	A	41.7	Very low	46.9	Very low	54 Å²	54	93.7 Å²	93.7	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-68.7	-41.1	176.6	0	0	0	0	0	112.6	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 3.01Å; A16-T20 WeakPolarHBondContact O-CG2 3.08Å; A16-T20 PolarHBondContact O-N 3.39Å; A16-T20 PolarHBondContact O-OG1 3.37Å
17	V	39.8	Very low	49.3	Very low	74 Å²	74	91.5 Å²	91.5	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-69.3	-40.4	178.8	173.3	0	0	0	0	111.7	L13 L19 T20 E21	L13-V17 VanDerWaalsContact O-CB 3.26Å; L13-V17 WeakPolarHBondContact O-CB 3.47Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.03Å; V17-L19 VanDerWaalsContact C-N 3.31Å; V17-L19 PolarHBondContact O-N 2.89Å; V17-T20 WeakPolarHBondContact CA-OG1 3.32Å; V17-T20 PolarHBondContact O-N 2.62Å; V17-T20 PolarHBondContact O-OG1 2.93Å; V17-E21 PolarHBondContact O-N 2.7Å
18	A	36.9	Very low	51.7	Low	54 Å²	54	82 Å²	82	45%	0.446	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-31.7	176.7	0	0	0	0	0	112.7	W14 T22	W14-A18 WeakPolarHBondContact O-CB 3.15Å; W14-A18 PolarHBondContact O-N 3.02Å; A18-T22 VanDerWaalsContact O-CG2 3.27Å; A18-T22 WeakPolarHBondContact O-CG2 3.26Å; A18-T22 PolarHBondContact O-N 2.65Å; A18-T22 PolarHBondContact O-OG1 2.82Å
19	L	37.5	Very low	54.1	Low	92 Å²	92	77.3 Å²	77.3	48%	0.482	44%	0.438	S	S	.	.	H	α-helix	trans	-73.7	-37.4	172.2	-79	160.7	0	0	0	111.6	G15 A16 V17 T22	G15-L19 WeakPolarHBondContact O-CB 3.23Å; G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 WeakPolarHBondContact O-CG 3.45Å; G15-L19 PolarHBondContact O-N 2.88Å; G15-L19 VanDerWaalsContact O-N 3.17Å; A16-L19 PolarHBondContact O-N 3.01Å; V17-L19 VanDerWaalsContact C-N 3.31Å; V17-L19 PolarHBondContact O-N 2.89Å; L19-T22 WeakPolarHBondContact CA-OG1 3.34Å; L19-T22 PolarHBondContact O-N 2.93Å; L19-T22 PolarHBondContact O-OG1 2.91Å
20	T	38.9	Very low	56.8	Low	88 Å²	88	75 Å²	75	54%	0.54	42%	0.422	S	S	.	.	H	α-helix	trans	-70.9	-33.3	177.1	53.3	0	0	0	0	113.9	A16 V17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.08Å; A16-T20 PolarHBondContact O-N 3.39Å; A16-T20 PolarHBondContact O-OG1 3.37Å; V17-T20 WeakPolarHBondContact CA-OG1 3.32Å; V17-T20 PolarHBondContact O-N 2.62Å; V17-T20 PolarHBondContact O-OG1 2.93Å; T20-T22 VanDerWaalsContact C-N 3.35Å
21	E	38.3	Very low	59.5	Low	157 Å²	157	71.2 Å²	71.2	73%	0.734	40%	0.402	S	S	*	.	H	α-helix	trans	-75.5	-21.8	176.9	-85.5	-171.5	157.8	0	0	113.4	V17	V17-E21 PolarHBondContact O-N 2.7Å
22	T	45.5	Very low	61.9	Low	86 Å²	86	69.1 Å²	69.1	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-83.5	-17.2	-177.4	41.2	0	0	0	0	113.8	A18 L19 T20	A18-T22 VanDerWaalsContact O-CG2 3.27Å; A18-T22 WeakPolarHBondContact O-CG2 3.26Å; A18-T22 PolarHBondContact O-N 2.65Å; A18-T22 PolarHBondContact O-OG1 2.82Å; L19-T22 WeakPolarHBondContact CA-OG1 3.34Å; L19-T22 PolarHBondContact O-N 2.93Å; L19-T22 PolarHBondContact O-OG1 2.91Å; T20-T22 VanDerWaalsContact C-N 3.35Å
23	W	48.5	Very low	64.5	Low	55 Å²	55	63.1 Å²	63.1	21%	0.208	36%	0.356	C	S	.	.	H	α-helix	trans	-93	-34.2	-172.7	-71.8	41	0	0	0	113.2	G25 E236 E288	W23-G25 PolarHBondContact O-N 3.17Å; W23-E236 HydrophobicContact CE3-CG 4.2Å; W23-E236 HydrophobicContact CH2-CB 4.43Å; W23-E236 HydrophobicContact CH2-CG 3.43Å; W23-E236 VanDerWaalsContact CH2-CG 3.43Å; W23-E236 HydrophobicContact CZ2-CG 3.77Å; W23-E236 HydrophobicContact CZ3-CB 4.23Å; W23-E236 HydrophobicContact CZ3-CG 3.64Å; W23-E236 WeakPolarHBondContact CZ3-O 3.45Å; W23-E288 HydrophobicContact CE3-CB 4.43Å; W23-E288 VanDerWaalsContact O-CD 3.31Å
24	A	56.4	Low	67.4	Low	60 Å²	60	60.6 Å²	60.6	50%	0.496	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	111.1	-176.8	0	0	0	0	0	111.7
25	G	78.6	Confident	70.5	Confident	22 Å²	22	51.6 Å²	51.6	23%	0.227	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	14.8	162.8	0	0	0	0	0	117.2	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.17Å; G25-G128 CarbonylContact O-C 3.6Å; G25-P129 WeakPolarHBondContact O-CA 3.24Å; G25-P129 WeakPolarHBondContact O-CG 3.4Å
26	S	92.6	Very high	73.3	Confident	51 Å²	51	52.6 Å²	52.6	36%	0.357	31%	0.31	S	S	.	.			trans	-88.3	145.5	162.8	-60.6	0	0	0	0	109.7	V127	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.41Å
27	H	97.1	Very high	76	Confident	30 Å²	30	50.9 Å²	50.9	14%	0.139	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.9	-178.5	-67.5	-76.2	0	0	0	111.1	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.4Å; H27-D53 IonicContact CE1-OD2 3.81Å; H27-D53 IonicContact CG-OD2 3.61Å; H27-D53 IonicContact ND1-OD1 3.41Å; H27-D53 IonicContact ND1-OD2 3.53Å; H27-D53 PolarHBondContact ND1-OD2 2.81Å; H27-D126 CarbonylContact O-C 3.5Å; H27-D126 WeakPolarHBondContact O-CA 3.3Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.95Å; H27-V127 PolarHBondContact O-N 3.42Å; H27-L192 HydrophobicContact CB-CD1 4.41Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 4.01Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.43Å
28	S	98.2	Very high	78.7	Confident	25 Å²	25	50.9 Å²	50.9	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.3	178.2	65.2	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; S28-D53 PolarHBondContact N-OD1 3.47Å; S28-D53 PolarHBondContact O-N 3.45Å; S28-C125 CarbonylContact C-O 3.53Å; S28-C125 VanDerWaalsContact CA-O 3.31Å; S28-C125 WeakPolarHBondContact CA-O 3.41Å; S28-D126 WeakPolarHBondContact CB-OD1 3.5Å
29	M	98.8	Very high	81.4	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123	166	-174.5	171.5	63.4	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 4.16Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.42Å; M29-V52 HydrophobicContact CG-CG2 4.31Å; M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; M29-G124 CarbonylContact O-C 3.5Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; M29-C125 PolarHBondContact N-O 3.43Å; M29-C125 PolarHBondContact O-N 2.96Å; M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 VanDerWaalsContact CE-SG 3.55Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.38Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.8	Very high	84	Confident	51 Å²	51	50.8 Å²	50.8	19%	0.192	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.7	-177.1	-57	-61.7	-176	74.2	5.9	111.1	F32 G50 Y51 M122 Y123 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 4Å; R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.17Å; R30-Y51 PolarHBondContact N-O 3.41Å; R30-Y51 PolarHBondContact O-N 3.1Å; R30-M122 HydrophobicContact CG-SD 4.48Å; R30-Y123 WeakPolarHBondContact CA-O 3.28Å; R30-D126 IonicContact CZ-OD1 3.63Å; R30-D126 IonicContact NE-OD1 2.66Å; R30-D126 PolarHBondContact NE-OD1 3.37Å; R30-D126 VanDerWaalsContact NE-OD1 3.15Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.99Å; R30-D126 PolarHBondContact NH2-OD1 3.35Å; R30-D126 IonicContact NH2-OD2 3.93Å; R30-D126 PolarHBondContact NH2-OD2 2.9Å; R30-H137 PolarHBondContact NH2-NE2 3.32Å; R30-H137 VanDerWaalsContact NH2-NE2 3.12Å
31	Y	98.8	Very high	86.6	Confident	8 Å²	8	56.5 Å²	56.5	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.4	169.1	-70.1	-86.4	0	0	0	109.8	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 4.16Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-V49 WeakPolarHBondContact CA-O 3.32Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; Y31-V58 HydrophobicContact CE1-CG2 3.87Å; Y31-M122 WeakPolarHBondContact O-CA 3.31Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.8Å; Y31-Y123 HydrophobicContact CD2-CE2 3.8Å; Y31-Y123 AromaticContact CD2-CZ 3.85Å; Y31-Y123 HydrophobicContact CG-CE1 4.33Å; Y31-Y123 HydrophobicContact CG-CE2 4.25Å; Y31-Y123 AromaticContact CG-CZ 3.82Å; Y31-Y123 PolarHBondContact N-O 2.99Å; Y31-Y123 PolarHBondContact O-N 3.35Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.9	Very high	89.2	Confident	83 Å²	83	51.7 Å²	51.7	36%	0.364	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.9	177.7	-58.8	-95.7	0	0	0	109	R30 T48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 4Å; F32-T48 VanDerWaalsContact O-CA 3.26Å; F32-T48 WeakPolarHBondContact O-CA 3.38Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.26Å; F32-V49 PolarHBondContact O-N 2.88Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.09Å; F32-S121 WeakPolarHBondContact CA-O 3.4Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.09Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.93Å
33	H	98.8	Very high	91.6	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.032	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.7	176.9	-63.8	174.5	0	0	0	109.5	F46 T48 N94 Y98 Q120 S121 Y123	H33-F46 HydrophobicContact CB-CE2 3.95Å; H33-F46 HydrophobicContact CB-CZ 4.17Å; H33-F46 AromaticContact CG-CZ 3.94Å; H33-T48 WeakPolarHBondContact CD2-CB 3.1Å; H33-T48 PolarHBondContact CD2-OG1 2.81Å; H33-T48 PolarHBondContact NE2-OG1 3.41Å; H33-T48 VanDerWaalsContact NE2-OG1 3.1Å; H33-N94 PolarHBondContact CE1-ND2 3.37Å; H33-Y98 HydrophobicContact CB-CE1 3.95Å; H33-Y98 AromaticContact ND1-CE2 3.93Å; H33-Y98 AromaticContact ND1-CZ 3.82Å; H33-Y98 PolarHBondContact ND1-OH 3.18Å; H33-Q120 CarbonylContact O-C 3.55Å; H33-Q120 WeakPolarHBondContact O-CA 3.27Å; H33-S121 PolarHBondContact N-O 3.38Å; H33-S121 PolarHBondContact O-N 2.98Å; H33-Y123 AromaticContact CE1-CE1 3.41Å; H33-Y123 VanDerWaalsContact CE1-CE1 3.41Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.45Å; H33-Y123 AromaticContact ND1-CE1 3.98Å; H33-Y123 AromaticContact NE2-CE1 3.62Å
34	T	98.8	Very high	93.9	Very high	47 Å²	47	49.7 Å²	49.7	29%	0.288	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	124.3	173.8	-59.9	0	0	0	0	108.8	V36 F46 I47 Q120	T34-V36 HydrophobicContact CG2-CG2 3.98Å; T34-F46 WeakPolarHBondContact O-CA 3.43Å; T34-I47 PolarHBondContact N-O 2.83Å; T34-I47 PolarHBondContact O-N 3.45Å; T34-Q120 HydrophobicContact CG2-CG 4.22Å
35	S	98.7	Very high	95.9	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.1	168.6	-163.1	0	0	0	0	110.7	R45 L102 N118 L119	S35-R45 CarbonylContact C-O 3.55Å; S35-R45 VanDerWaalsContact CA-O 3.24Å; S35-R45 WeakPolarHBondContact CA-O 3.38Å; S35-R45 PolarHBondContact OG-O 2.92Å; S35-L102 WeakPolarHBondContact OG-CD1 3.19Å; S35-N118 CarbonylContact O-C 3.53Å; S35-N118 WeakPolarHBondContact O-CA 3.48Å; S35-L119 PolarHBondContact N-O 2.96Å; S35-L119 PolarHBondContact O-N 2.89Å
36	V	98.5	Very high	96.9	Very high	59 Å²	59	50.2 Å²	50.2	36%	0.358	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.9	-179.5	-176.3	0	0	0	0	109.1	T34 P44 R45 H117 N118	T34-V36 HydrophobicContact CG2-CG2 3.98Å; V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.34Å; V36-R45 PolarHBondContact N-O 3.27Å; V36-R45 PolarHBondContact O-N 2.86Å; V36-H117 WeakPolarHBondContact CA-O 3.36Å; V36-N118 HydrophobicContact CG2-CB 4.3Å
37	S	97.9	Very high	97.2	Very high	18 Å²	18	50 Å²	50	13%	0.126	27%	0.272	C	S	.	.			trans	-72.3	144.2	173.6	73.2	0	0	0	0	110.4	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.49Å; S37-S116 PolarHBondContact O-OG 2.99Å; S37-H117 PolarHBondContact N-O 3.47Å; S37-H117 PolarHBondContact OG-N 2.84Å; S37-H117 PolarHBondContact OG-O 3.49Å
38	R	96.3	Very high	97.3	Very high	74 Å²	74	48.5 Å²	48.5	28%	0.279	27%	0.265	S	S	.	.			trans	-137	72.3	-178.2	54	174.3	176.2	-160.7	-10.7	111.4	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.87Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 VanDerWaalsContact CD-O 3.29Å; R38-R41 WeakPolarHBondContact CD-O 3.27Å; R38-R41 HydrophobicContact CG-CB 4.22Å; R38-R41 PolarHBondContact NE-O 3.05Å; R38-R41 VanDerWaalsContact NE-O 3.17Å; R38-R41 PolarHBondContact O-N 3.19Å; R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 2.94Å; R38-E43 PolarHBondContact NH2-O 3.05Å; R38-D63 IonicContact CZ-OD1 3.74Å; R38-D63 IonicContact CZ-OD2 2.71Å; R38-D63 IonicContact NH1-OD1 3.78Å; R38-D63 PolarHBondContact NH1-OD1 3.32Å; R38-D63 IonicContact NH1-OD2 3.52Å; R38-D63 PolarHBondContact NH1-OD2 2.93Å; R38-D63 IonicContact NH2-OD1 3.8Å; R38-D63 PolarHBondContact NH2-OD1 2.84Å; R38-D63 IonicContact NH2-OD2 3.25Å
39	P	93.3	Very high	97.3	Very high	55 Å²	55	48.9 Å²	48.9	36%	0.357	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	131	-177.3	-26.6	34.6	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.04Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.29Å; P39-E113 WeakPolarHBondContact CG-O 3.19Å; P39-G115 WeakPolarHBondContact CG-O 3.44Å
40	G	92.2	Very high	97.3	Very high	88 Å²	88	48.8 Å²	48.8	91%	0.907	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	1.9	-177.6	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 2.87Å
41	R	94.2	Very high	97.3	Very high	209 Å²	209	49.9 Å²	49.9	79%	0.789	27%	0.27	S	S	*	.	S	Bend	trans	-125.3	23.6	179.5	-58.2	-174.8	-178	177.3	1.3	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 VanDerWaalsContact CD-O 3.29Å; R38-R41 WeakPolarHBondContact CD-O 3.27Å; R38-R41 HydrophobicContact CG-CB 4.22Å; R38-R41 PolarHBondContact NE-O 3.05Å; R38-R41 VanDerWaalsContact NE-O 3.17Å; R38-R41 PolarHBondContact O-N 3.19Å; P39-R41 PolarHBondContact O-N 3.04Å
42	G	92.8	Very high	97.3	Very high	56 Å²	56	49.5 Å²	49.5	58%	0.577	27%	0.269	S	S	*	.	S	Bend	trans	98.2	-166.4	178.9	0	0	0	0	0	113.9
43	E	95.8	Very high	97.2	Very high	81 Å²	81	46.9 Å²	46.9	38%	0.379	26%	0.259	S	S	.	.	S	Bend	trans	-69.3	155.2	-178.8	-69.8	-64.2	158.1	0	0	112.3	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 2.94Å; R38-E43 PolarHBondContact NH2-O 3.05Å; E43-R45 PolarHBondContact O-N 3.31Å; E43-R99 WeakPolarHBondContact OE2-CD 3.17Å; E43-R99 IonicContact OE2-CZ 3.54Å; E43-R99 VanDerWaalsContact OE2-CZ 3.25Å; E43-R99 IonicContact OE2-NE 3.67Å; E43-R99 PolarHBondContact OE2-NE 3.19Å; E43-R99 IonicContact OE2-NH1 3.73Å; E43-R99 IonicContact OE2-NH2 3.73Å; E43-R103 IonicContact OE2-NH2 3.35Å
44	P	97.4	Very high	97.1	Very high	18 Å²	18	49.5 Å²	49.5	12%	0.117	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-52	134.8	175.1	-25.8	34.6	0	0	0	112	V36 R99 L102	V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.34Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.19Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.97Å
45	R	98.4	Very high	97.1	Very high	92 Å²	92	48 Å²	48	35%	0.347	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.6	173.9	-175.9	-179.2	-176.2	179.7	-0.2	108.6	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.55Å; S35-R45 VanDerWaalsContact CA-O 3.24Å; S35-R45 WeakPolarHBondContact CA-O 3.38Å; S35-R45 PolarHBondContact OG-O 2.92Å; V36-R45 PolarHBondContact N-O 3.27Å; V36-R45 PolarHBondContact O-N 2.86Å; E43-R45 PolarHBondContact O-N 3.31Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; R45-D61 IonicContact CZ-OD1 3.49Å; R45-D61 IonicContact CZ-OD2 3.56Å; R45-D61 IonicContact NE-OD1 2.75Å; R45-D61 PolarHBondContact NE-OD1 2.95Å; R45-D61 IonicContact NE-OD2 3.61Å; R45-D61 IonicContact NH2-OD1 3.41Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 2.79Å; R45-S62 WeakPolarHBondContact CA-OG 3.34Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 3.42Å
46	F	98.8	Very high	97	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.9	176	178.7	-100	0	0	0	110.2	H33 T34 T48 F60 S62 N94 T95 Y98	H33-F46 HydrophobicContact CB-CE2 3.95Å; H33-F46 HydrophobicContact CB-CZ 4.17Å; H33-F46 AromaticContact CG-CZ 3.94Å; T34-F46 WeakPolarHBondContact O-CA 3.43Å; F46-T48 HydrophobicContact CE1-CG2 3.66Å; F46-T48 HydrophobicContact CZ-CG2 4.19Å; F46-F60 AromaticContact CD1-CD1 4Å; F46-F60 HydrophobicContact CD1-CD1 4Å; F46-F60 AromaticContact CD1-CE1 3.99Å; F46-F60 HydrophobicContact CD1-CE1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 4.31Å; F46-S62 PolarHBondContact N-OG 3.44Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 2.79Å; F46-N94 HydrophobicContact CE1-CB 4.05Å; F46-N94 HydrophobicContact CE2-CB 4.31Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; F46-T95 HydrophobicContact CB-CG2 3.95Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.37Å; F46-Y98 HydrophobicContact CD2-CD1 4.25Å; F46-Y98 HydrophobicContact CD2-CD2 4.35Å; F46-Y98 AromaticContact CD2-CG 3.94Å; F46-Y98 HydrophobicContact CD2-CG 3.94Å; F46-Y98 HydrophobicContact CE2-CD1 4.03Å; F46-Y98 AromaticContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CE1 4.31Å; F46-Y98 HydrophobicContact CE2-CE2 4.08Å; F46-Y98 AromaticContact CE2-CG 3.74Å; F46-Y98 HydrophobicContact CE2-CG 3.74Å
47	I	98.8	Very high	97	Very high	46 Å²	46	47.6 Å²	47.6	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.5	176.2	-56.6	175.2	0	0	0	107.5	T34 R45 F60	T34-I47 PolarHBondContact N-O 2.83Å; T34-I47 PolarHBondContact O-N 3.45Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.03Å
48	T	98.8	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.5	169.1	167.5	0	0	0	0	110	F32 H33 F46 R59 F60	F32-T48 VanDerWaalsContact O-CA 3.26Å; F32-T48 WeakPolarHBondContact O-CA 3.38Å; H33-T48 WeakPolarHBondContact CD2-CB 3.1Å; H33-T48 PolarHBondContact CD2-OG1 2.81Å; H33-T48 PolarHBondContact NE2-OG1 3.41Å; H33-T48 VanDerWaalsContact NE2-OG1 3.1Å; F46-T48 HydrophobicContact CE1-CG2 3.66Å; F46-T48 HydrophobicContact CZ-CG2 4.19Å; T48-R59 CarbonylContact O-C 3.59Å; T48-R59 WeakPolarHBondContact O-CA 3.49Å; T48-F60 HydrophobicContact CG2-CB 3.59Å; T48-F60 HydrophobicContact CG2-CD1 4.25Å; T48-F60 HydrophobicContact CG2-CG 4.25Å; T48-F60 PolarHBondContact N-O 3.21Å; T48-F60 PolarHBondContact O-N 2.91Å
49	V	98.9	Very high	97.2	Very high	32 Å²	32	47.3 Å²	47.3	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143	173.7	-67.7	0	0	0	0	109.7	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.32Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.26Å; F32-V49 PolarHBondContact O-N 2.88Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-L56 HydrophobicContact CB-CD1 3.71Å; V49-L56 HydrophobicContact CG1-CD1 4.01Å; V49-V58 WeakPolarHBondContact CA-O 3.34Å; V49-R59 HydrophobicContact CG1-CB 4.29Å; V49-R59 HydrophobicContact CG1-CG 4.14Å
50	G	98.8	Very high	97.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.1	176	0	0	0	0	0	110.5	R30 F57 V58	R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.17Å; G50-F57 WeakPolarHBondContact O-CD1 2.94Å; G50-F57 PolarHBondContact O-N 3.18Å; G50-V58 PolarHBondContact N-O 3.17Å; G50-V58 PolarHBondContact O-N 3.01Å
51	Y	98.8	Very high	97.8	Very high	73 Å²	73	41.5 Å²	41.5	29%	0.286	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.8	177.2	-77.5	-101.8	0	0	0	110.3	M29 R30 F32 V49 T55 L56	M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.42Å; R30-Y51 PolarHBondContact N-O 3.41Å; R30-Y51 PolarHBondContact O-N 3.1Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.09Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.29Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-L56 HydrophobicContact CD1-CB 4.19Å; Y51-L56 VanDerWaalsContact CD1-N 3.32Å; Y51-L56 HydrophobicContact CD2-CD1 4.08Å; Y51-L56 HydrophobicContact CE1-CB 3.64Å; Y51-L56 HydrophobicContact CE1-CD1 4.46Å; Y51-L56 HydrophobicContact CE2-CB 4.28Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.48Å
52	V	98.6	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.5	156.3	177	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.31Å; V52-D54 PolarHBondContact O-N 2.97Å; V52-T55 PolarHBondContact N-O 3.4Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 3.25Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.5Å
53	D	97	Very high	98.2	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-124.1	-165.7	-51.6	-38.2	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.4Å; H27-D53 IonicContact CE1-OD2 3.81Å; H27-D53 IonicContact CG-OD2 3.61Å; H27-D53 IonicContact ND1-OD1 3.41Å; H27-D53 IonicContact ND1-OD2 3.53Å; H27-D53 PolarHBondContact ND1-OD2 2.81Å; S28-D53 PolarHBondContact N-OD1 3.47Å; S28-D53 PolarHBondContact O-N 3.45Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	97	Very high	98.3	Very high	62 Å²	62	31.1 Å²	31.1	33%	0.332	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	11.8	178.3	-61.7	-56.6	0	0	0	113.7	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.97Å; D54-Y233 HydrophobicContact CB-CE2 3.99Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 HydrophobicContact CB-CB 4.36Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 2.86Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.76Å
55	T	97.6	Very high	98.2	Very high	15 Å²	15	37.8 Å²	37.8	9%	0.092	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.9	-176.8	-58.4	0	0	0	0	111.9	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.29Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 3.4Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 3.25Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.22Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.25Å; T55-Y233 PolarHBondContact OG1-OH 3.41Å
56	L	98.1	Very high	98.1	Very high	51 Å²	51	36.8 Å²	36.8	27%	0.267	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	125	171.8	178	69.9	0	0	0	110.1	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.71Å; V49-L56 HydrophobicContact CG1-CD1 4.01Å; Y51-L56 HydrophobicContact CD1-CB 4.19Å; Y51-L56 VanDerWaalsContact CD1-N 3.32Å; Y51-L56 HydrophobicContact CD2-CD1 4.08Å; Y51-L56 HydrophobicContact CE1-CB 3.64Å; Y51-L56 HydrophobicContact CE1-CD1 4.46Å; Y51-L56 HydrophobicContact CE2-CB 4.28Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.48Å; L56-R72 HydrophobicContact CD2-CB 3.92Å; L56-R72 HydrophobicContact CD2-CG 3.91Å; L56-R72 HydrophobicContact CG-CB 3.75Å; L56-R72 HydrophobicContact CG-CG 4.06Å; L56-R72 CarbonylContact O-C 3.59Å
57	F	98.4	Very high	98.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-24	-179.3	78.4	-84.2	0	0	0	114.7	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; G50-F57 WeakPolarHBondContact O-CD1 2.94Å; G50-F57 PolarHBondContact O-N 3.18Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 3.22Å; F57-R72 PolarHBondContact O-N 3.04Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 4.03Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.69Å; F57-W75 HydrophobicContact CD2-CH2 3.69Å; F57-W75 AromaticContact CD2-CZ3 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 3.98Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.05Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-I76 HydrophobicContact CD2-CB 4.37Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 3.99Å; F57-I76 HydrophobicContact CE2-CD1 4.23Å; F57-I76 VanDerWaalsContact O-CG2 3.31Å; F57-I76 WeakPolarHBondContact O-CG2 3.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.7Å; F57-Y195 HydrophobicContact CE2-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å
58	V	98.7	Very high	98	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.5	175.5	-73.6	0	0	0	0	112.6	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.87Å; V49-V58 WeakPolarHBondContact CA-O 3.34Å; G50-V58 PolarHBondContact N-O 3.17Å; G50-V58 PolarHBondContact O-N 3.01Å; V58-K69 HydrophobicContact CB-CD 4.18Å; V58-K69 HydrophobicContact CB-CG 4.15Å; V58-K69 HydrophobicContact CG1-CG 4.25Å; V58-K69 HydrophobicContact CG2-CD 4.49Å; V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.15Å; V58-I76 HydrophobicContact CG1-CG1 4.34Å; V58-W84 HydrophobicContact CG1-CH2 4.04Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å
59	R	98.6	Very high	98	Very high	86 Å²	86	43.9 Å²	43.9	33%	0.325	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.1	173.1	176.3	176	171.6	154.2	-0.3	111	T48 V49 D61 E70 R72	T48-R59 CarbonylContact O-C 3.59Å; T48-R59 WeakPolarHBondContact O-CA 3.49Å; V49-R59 HydrophobicContact CG1-CB 4.29Å; V49-R59 HydrophobicContact CG1-CG 4.14Å; R59-D61 IonicContact NH2-OD2 3.7Å; R59-D61 PolarHBondContact NH2-OD2 3.43Å; R59-E70 PolarHBondContact N-O 3.3Å; R59-E70 PolarHBondContact O-N 3.1Å; R59-R72 HydrophobicContact CB-CG 3.97Å
60	F	98.8	Very high	98	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.6	163.1	171.2	-77.7	0	0	0	109.1	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 AromaticContact CD1-CD1 4Å; F46-F60 HydrophobicContact CD1-CD1 4Å; F46-F60 AromaticContact CD1-CE1 3.99Å; F46-F60 HydrophobicContact CD1-CE1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.03Å; T48-F60 HydrophobicContact CG2-CB 3.59Å; T48-F60 HydrophobicContact CG2-CD1 4.25Å; T48-F60 HydrophobicContact CG2-CG 4.25Å; T48-F60 PolarHBondContact N-O 3.21Å; T48-F60 PolarHBondContact O-N 2.91Å; F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.74Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.28Å; F60-K69 HydrophobicContact CB-CD 4.03Å; F60-S91 VanDerWaalsContact CD2-CB 3.45Å; F60-K92 HydrophobicContact CE2-CG 4.19Å; F60-K92 HydrophobicContact CZ-CG 4.15Å
61	D	98.8	Very high	98	Very high	18 Å²	18	48.2 Å²	48.2	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.7	178.6	-163.6	-28.4	0	0	0	109.1	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.49Å; R45-D61 IonicContact CZ-OD2 3.56Å; R45-D61 IonicContact NE-OD1 2.75Å; R45-D61 PolarHBondContact NE-OD1 2.95Å; R45-D61 IonicContact NE-OD2 3.61Å; R45-D61 IonicContact NH2-OD1 3.41Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 2.79Å; R59-D61 IonicContact NH2-OD2 3.7Å; R59-D61 PolarHBondContact NH2-OD2 3.43Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 2.84Å; D61-A64 HydrophobicContact CB-CB 4.48Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 2.99Å
62	S	98.4	Very high	97.9	Very high	26 Å²	26	50.3 Å²	50.3	18%	0.182	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.7	-177.8	69.4	0	0	0	0	113.3	R45 F46	R45-S62 WeakPolarHBondContact CA-OG 3.34Å; F46-S62 PolarHBondContact N-OG 3.44Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 2.79Å
63	D	97.7	Very high	97.8	Very high	68 Å²	68	50.5 Å²	50.5	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.8	179.5	-79.8	4.4	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.74Å; R38-D63 IonicContact CZ-OD2 2.71Å; R38-D63 IonicContact NH1-OD1 3.78Å; R38-D63 PolarHBondContact NH1-OD1 3.32Å; R38-D63 IonicContact NH1-OD2 3.52Å; R38-D63 PolarHBondContact NH1-OD2 2.93Å; R38-D63 IonicContact NH2-OD1 3.8Å; R38-D63 PolarHBondContact NH2-OD1 2.84Å; R38-D63 IonicContact NH2-OD2 3.25Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 3.42Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 2.84Å
64	A	97.3	Very high	97.8	Very high	34 Å²	34	54.2 Å²	54.2	28%	0.281	29%	0.29	S	S	.	.	S	Bend	trans	-63.2	149.2	174	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.48Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 2.99Å; A64-S66 PolarHBondContact O-N 2.67Å; A64-S66 VanDerWaalsContact O-N 3.17Å; A64-P67 WeakPolarHBondContact O-CD 3.15Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.4Å
65	T	96.4	Very high	97.8	Very high	158 Å²	158	52.1 Å²	52.1	97%	0.969	28%	0.278	S	S	*	.	S	Bend	trans	-57.2	-33.9	178.9	-51.9	0	0	0	0	112.7
66	S	96.5	Very high	97.9	Very high	72 Å²	72	51.4 Å²	51.4	50%	0.503	27%	0.274	S	S	.	.	S	Bend	trans	-134.2	86.1	174	-175	0	0	0	0	108.6	A64 R68	A64-S66 PolarHBondContact O-N 2.67Å; A64-S66 VanDerWaalsContact O-N 3.17Å; S66-R68 PolarHBondContact O-N 2.89Å; S66-R68 VanDerWaalsContact O-N 3.07Å
67	P	97.3	Very high	97.8	Very high	36 Å²	36	55 Å²	55	23%	0.234	29%	0.289	C	S	.	.			trans	-62.5	113.2	-174.4	-24.4	35.2	0	0	0	111.8	F60 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.74Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; A64-P67 WeakPolarHBondContact O-CD 3.15Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.4Å; P67-K92 WeakPolarHBondContact O-CE 3.48Å
68	R	98.2	Very high	97.7	Very high	148 Å²	148	60.8 Å²	60.8	56%	0.558	32%	0.316	S	S	*	.			trans	-140.7	157.6	177.4	-65.4	-171.8	179.3	-165	-4.1	110.1	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.28Å; S66-R68 PolarHBondContact O-N 2.89Å; S66-R68 VanDerWaalsContact O-N 3.07Å; R68-E70 PolarHBondContact O-N 3.18Å; R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.22Å
69	K	98.5	Very high	97.7	Very high	11 Å²	11	61.4 Å²	61.4	5%	0.048	32%	0.319	C	S	.	.			trans	-72.3	123	168.7	-162.9	76.4	140.7	-169.6	0	107.2	V58 F60 W84 E87 T88 S91	V58-K69 HydrophobicContact CB-CD 4.18Å; V58-K69 HydrophobicContact CB-CG 4.15Å; V58-K69 HydrophobicContact CG1-CG 4.25Å; V58-K69 HydrophobicContact CG2-CD 4.49Å; F60-K69 HydrophobicContact CB-CD 4.03Å; K69-W84 HydrophobicContact CB-CE3 4.25Å; K69-W84 HydrophobicContact CB-CZ3 4.46Å; K69-W84 HydrophobicContact CG-CE3 4.4Å; K69-W84 HydrophobicContact CG-CZ3 4.18Å; K69-E87 HydrophobicContact CB-CB 3.96Å; K69-E87 HydrophobicContact CD-CB 4.49Å; K69-E87 HydrophobicContact CG-CB 3.85Å; K69-T88 PolarHBondContact N-OG1 3.25Å; K69-S91 PolarHBondContact NZ-OG 3.19Å
70	E	98.4	Very high	97.6	Very high	73 Å²	73	58.9 Å²	58.9	34%	0.341	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.6	-174.8	-65.8	174.5	167.5	0	0	110.3	V58 R59 R68 R72	V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.15Å; R59-E70 PolarHBondContact N-O 3.3Å; R59-E70 PolarHBondContact O-N 3.1Å; R68-E70 PolarHBondContact O-N 3.18Å; E70-R72 IonicContact OE2-CZ 2.77Å; E70-R72 IonicContact OE2-NH2 3.79Å; E70-R72 PolarHBondContact OE2-NH2 3.14Å
71	P	98.4	Very high	97.6	Very high	50 Å²	50	63.4 Å²	63.4	33%	0.325	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.8	172	28.8	-34	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.66Å; P71-E77 HydrophobicContact CB-CG 3.81Å; P71-E77 HydrophobicContact CG-CG 4.08Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 3.91Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.32Å
72	R	97.9	Very high	97.5	Very high	116 Å²	116	70.7 Å²	70.7	44%	0.438	38%	0.383	S	S	.	.			trans	-131.9	0.1	175.5	-61.6	-65	172.5	177.6	-2	113.3	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.92Å; L56-R72 HydrophobicContact CD2-CG 3.91Å; L56-R72 HydrophobicContact CG-CB 3.75Å; L56-R72 HydrophobicContact CG-CG 4.06Å; L56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 3.04Å; R59-R72 HydrophobicContact CB-CG 3.97Å; E70-R72 IonicContact OE2-CZ 2.77Å; E70-R72 IonicContact OE2-NH2 3.79Å; E70-R72 PolarHBondContact OE2-NH2 3.14Å
73	A	96.8	Very high	97.5	Very high	4 Å²	4	69.9 Å²	69.9	3%	0.033	38%	0.376	C	S	.	.	S	Bend	trans	-136.3	144.9	173.3	0	0	0	0	0	110.6	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.95Å; A73-I76 WeakPolarHBondContact O-CG2 3.48Å; A73-I76 PolarHBondContact O-N 2.81Å
74	P	96.9	Very high	97.6	Very high	107 Å²	107	68.6 Å²	68.6	70%	0.695	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-59.4	-37.2	-177	-26.2	34.7	0	0	0	114	I76 E77	P74-I76 PolarHBondContact O-N 2.81Å; P74-E77 WeakPolarHBondContact O-CB 3.4Å; P74-E77 PolarHBondContact O-N 2.93Å; P74-E77 VanDerWaalsContact O-N 3.16Å
75	W	96.9	Very high	97.6	Very high	19 Å²	19	72 Å²	72	7%	0.072	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-70.5	-14.5	-175.7	53.2	-105.6	0	0	0	114.4	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 4.03Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.69Å; F57-W75 HydrophobicContact CD2-CH2 3.69Å; F57-W75 AromaticContact CD2-CZ3 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 3.98Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.05Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.95Å; W75-Q78 WeakPolarHBondContact O-CG 3.28Å; W75-Q78 PolarHBondContact O-NE2 2.91Å; W75-Y195 HydrophobicContact CE3-CD1 4.39Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD2 4.28Å; W75-Y195 HydrophobicContact CZ3-CE1 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; W75-N198 WeakPolarHBondContact CB-O 3.43Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.37Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.18Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å
76	I	98.1	Very high	97.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-89.5	-19.1	174.1	-163.4	71.6	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.37Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 3.99Å; F57-I76 HydrophobicContact CE2-CD1 4.23Å; F57-I76 VanDerWaalsContact O-CG2 3.31Å; F57-I76 WeakPolarHBondContact O-CG2 3.45Å; V58-I76 HydrophobicContact CG1-CG1 4.34Å; P71-I76 HydrophobicContact CB-CG2 3.66Å; A73-I76 WeakPolarHBondContact O-CG2 3.48Å; A73-I76 PolarHBondContact O-N 2.81Å; P74-I76 PolarHBondContact O-N 2.81Å; I76-Q78 PolarHBondContact O-N 2.79Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.18Å; I76-E79 WeakPolarHBondContact O-CG 3.22Å; I76-E79 PolarHBondContact O-N 3.06Å; I76-Y83 HydrophobicContact CD1-CE1 4.19Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.04Å; I76-W84 HydrophobicContact CG2-CH2 4.05Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.41Å; I76-Y195 HydrophobicContact CD1-CD1 3.82Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å
77	E	97.1	Very high	97.8	Very high	126 Å²	126	67 Å²	67	59%	0.589	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.6	-177	-65.3	-179.2	-172.7	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.81Å; P71-E77 HydrophobicContact CG-CG 4.08Å; P74-E77 WeakPolarHBondContact O-CB 3.4Å; P74-E77 PolarHBondContact O-N 2.93Å; P74-E77 VanDerWaalsContact O-N 3.16Å; E77-E79 PolarHBondContact O-N 3.43Å
78	Q	96.3	Very high	97.9	Very high	121 Å²	121	65.9 Å²	65.9	57%	0.565	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13	175.6	69.6	-172.9	-32.7	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.28Å; W75-Q78 PolarHBondContact O-NE2 2.91Å; I76-Q78 PolarHBondContact O-N 2.79Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-N198 PolarHBondContact NE2-ND2 2.98Å
79	E	97.8	Very high	97.9	Very high	13 Å²	13	64.2 Å²	64.2	6%	0.061	32%	0.324	C	S	.	.	S	Bend	trans	-64.7	138	176.3	-66	-60.1	161.3	0	0	111	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.18Å; I76-E79 WeakPolarHBondContact O-CG 3.22Å; I76-E79 PolarHBondContact O-N 3.06Å; E77-E79 PolarHBondContact O-N 3.43Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 PolarHBondContact O-NE1 3.09Å; E79-R194 IonicContact OE1-CZ 3.41Å; E79-R194 IonicContact OE1-NE 3.66Å; E79-R194 PolarHBondContact OE1-NE 2.83Å; E79-R194 IonicContact OE1-NH2 2.9Å; E79-R194 PolarHBondContact OE1-NH2 3.43Å; E79-R194 IonicContact OE2-CZ 3.32Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 3.28Å; E79-R194 PolarHBondContact OE2-NH2 3.25Å; E79-N198 PolarHBondContact OE1-ND2 3.45Å
80	G	97.4	Very high	97.9	Very high	34 Å²	34	66.9 Å²	66.9	35%	0.351	34%	0.338	S	S	.	.			trans	-69.9	168.9	-174.9	0	0	0	0	0	114	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.93Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 3.25Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.95Å
81	P	97.8	Very high	97.9	Very high	98 Å²	98	63.5 Å²	63.5	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-57.9	-34.1	-179.2	23.2	-33.6	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.85Å; P81-W84 PolarHBondContact O-N 2.81Å; P81-D85 WeakPolarHBondContact O-CB 3.1Å; P81-D85 PolarHBondContact O-N 2.97Å
82	E	98.1	Very high	97.9	Very high	170 Å²	170	65.4 Å²	65.4	79%	0.794	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-37.8	177.9	-64	-179.7	179.5	0	0	112.7	G80 R86	G80-E82 PolarHBondContact O-N 2.93Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 2.97Å
83	Y	98.3	Very high	97.9	Very high	10 Å²	10	63.2 Å²	63.2	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-52.5	174.3	171.5	-93.6	0	0	0	110	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.19Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 3.25Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.85Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.71Å; Y83-R86 PolarHBondContact O-N 3.44Å; Y83-E87 HydrophobicContact CD1-CG 4.21Å; Y83-E87 HydrophobicContact CD2-CG 4.05Å; Y83-E87 HydrophobicContact CE1-CG 3.88Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.29Å; Y83-E87 WeakPolarHBondContact O-CB 3.34Å; Y83-E87 VanDerWaalsContact O-CG 3.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.48Å; Y83-E87 PolarHBondContact O-N 2.81Å; Y83-W191 AromaticContact CD2-CH2 3.76Å; Y83-W191 HydrophobicContact CD2-CH2 3.76Å; Y83-W191 HydrophobicContact CD2-CZ2 4.38Å; Y83-W191 HydrophobicContact CD2-CZ3 4.03Å; Y83-W191 HydrophobicContact CE2-CE3 4.47Å; Y83-W191 HydrophobicContact CE2-CH2 4.11Å; Y83-W191 HydrophobicContact CE2-CZ3 4.01Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 2.86Å
84	W	98.6	Very high	98	Very high	40 Å²	40	64.7 Å²	64.7	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-38.7	-177.3	-65.8	113	0	0	0	113.2	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.04Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å; K69-W84 HydrophobicContact CB-CE3 4.25Å; K69-W84 HydrophobicContact CB-CZ3 4.46Å; K69-W84 HydrophobicContact CG-CE3 4.4Å; K69-W84 HydrophobicContact CG-CZ3 4.18Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 3.91Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.32Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.04Å; I76-W84 HydrophobicContact CG2-CH2 4.05Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.41Å; E79-W84 PolarHBondContact O-NE1 3.09Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.95Å; P81-W84 PolarHBondContact O-N 2.81Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.74Å; W84-T88 PolarHBondContact O-OG1 3.45Å
85	D	98.5	Very high	98.1	Very high	106 Å²	106	60.1 Å²	60.1	57%	0.567	30%	0.302	S	S	*	.	H	α-helix	trans	-66.7	-44.9	176.1	-75.4	-21.7	0	0	0	111	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.1Å; P81-D85 PolarHBondContact O-N 2.97Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.71Å; D85-T88 PolarHBondContact O-N 3.37Å; D85-Q89 WeakPolarHBondContact O-CB 3.49Å; D85-Q89 PolarHBondContact O-N 2.95Å
86	R	98.3	Very high	98.1	Very high	108 Å²	108	63.2 Å²	63.2	41%	0.408	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-51.2	176.5	-172.5	-176.3	70.9	-163.6	-0.2	111.7	E82 Y83 T88 Q89 I90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 2.97Å; Y83-R86 PolarHBondContact O-N 3.44Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.43Å; R86-Q89 PolarHBondContact O-N 3.07Å; R86-Q89 VanDerWaalsContact O-N 3.12Å; R86-I90 HydrophobicContact CG-CD1 4.02Å; R86-I90 WeakPolarHBondContact O-CG1 3.39Å; R86-I90 PolarHBondContact O-N 3.38Å
87	E	98.5	Very high	98.1	Very high	18 Å²	18	66.2 Å²	66.2	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-34.2	-179.1	-66.4	-48.8	124.1	0	0	112.4	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 3.96Å; K69-E87 HydrophobicContact CD-CB 4.49Å; K69-E87 HydrophobicContact CG-CB 3.85Å; Y83-E87 HydrophobicContact CD1-CG 4.21Å; Y83-E87 HydrophobicContact CD2-CG 4.05Å; Y83-E87 HydrophobicContact CE1-CG 3.88Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.29Å; Y83-E87 WeakPolarHBondContact O-CB 3.34Å; Y83-E87 VanDerWaalsContact O-CG 3.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.48Å; Y83-E87 PolarHBondContact O-N 2.81Å; E87-S91 WeakPolarHBondContact O-CB 3.42Å; E87-S91 PolarHBondContact O-N 3.46Å; E87-S91 PolarHBondContact O-OG 3.01Å
88	T	98.7	Very high	98.2	Very high	11 Å²	11	61.4 Å²	61.4	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-45.2	172.3	-67.3	0	0	0	0	110.8	R68 K69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.22Å; K69-T88 PolarHBondContact N-OG1 3.25Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.74Å; W84-T88 PolarHBondContact O-OG1 3.45Å; D85-T88 PolarHBondContact O-N 3.37Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.43Å; T88-S91 PolarHBondContact O-N 2.71Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 2.81Å
89	Q	98.6	Very high	98.2	Very high	114 Å²	114	57.8 Å²	57.8	53%	0.533	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-42.4	179.5	-172.8	58.9	23.5	0	0	111.6	D85 R86 S91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.49Å; D85-Q89 PolarHBondContact O-N 2.95Å; R86-Q89 PolarHBondContact O-N 3.07Å; R86-Q89 VanDerWaalsContact O-N 3.12Å; Q89-S91 VanDerWaalsContact C-N 3.32Å; Q89-S91 PolarHBondContact O-N 2.63Å; Q89-K92 PolarHBondContact O-N 2.85Å; Q89-T93 PolarHBondContact O-N 2.9Å; Q89-T93 PolarHBondContact O-OG1 3.42Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å
90	I	98.2	Very high	98.2	Very high	67 Å²	67	62.6 Å²	62.6	34%	0.344	32%	0.316	S	S	.	.	H	α-helix	trans	-57	-47	172.9	-69	166.6	0	0	0	110.4	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.02Å; R86-I90 WeakPolarHBondContact O-CG1 3.39Å; R86-I90 PolarHBondContact O-N 3.38Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 2.84Å; I90-T93 PolarHBondContact O-N 3.4Å; I90-N94 WeakPolarHBondContact O-CB 3.35Å; I90-N94 PolarHBondContact O-N 2.74Å
91	S	98.6	Very high	98.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.007	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-36.1	-179.9	-56.8	0	0	0	0	112.5	F60 K69 E87 T88 Q89 T95	F60-S91 VanDerWaalsContact CD2-CB 3.45Å; K69-S91 PolarHBondContact NZ-OG 3.19Å; E87-S91 WeakPolarHBondContact O-CB 3.42Å; E87-S91 PolarHBondContact O-N 3.46Å; E87-S91 PolarHBondContact O-OG 3.01Å; T88-S91 PolarHBondContact O-N 2.71Å; Q89-S91 VanDerWaalsContact C-N 3.32Å; Q89-S91 PolarHBondContact O-N 2.63Å; S91-T95 PolarHBondContact O-N 3.08Å; S91-T95 PolarHBondContact O-OG1 3.26Å
92	K	98.4	Very high	98.3	Very high	91 Å²	91	58.6 Å²	58.6	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-68.1	-41.6	173.8	-74.5	176.5	178.2	177	0	112.4	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.19Å; F60-K92 HydrophobicContact CZ-CG 4.15Å; P67-K92 WeakPolarHBondContact O-CE 3.48Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 2.81Å; Q89-K92 PolarHBondContact O-N 2.85Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 2.84Å; K92-T95 WeakPolarHBondContact O-CB 3.44Å; K92-T95 PolarHBondContact O-N 2.82Å; K92-Q96 PolarHBondContact O-N 3.03Å
93	T	98.4	Very high	98.2	Very high	70 Å²	70	56.7 Å²	56.7	43%	0.429	27%	0.27	S	S	.	.	H	α-helix	trans	-60.8	-48.6	173.4	-60.6	0	0	0	0	110.4	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 2.9Å; Q89-T93 PolarHBondContact O-OG1 3.42Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å; I90-T93 PolarHBondContact O-N 3.4Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.92Å; T93-Q96 WeakPolarHBondContact O-CB 3.17Å; T93-Q96 PolarHBondContact O-N 2.89Å; T93-T97 PolarHBondContact O-N 3.27Å; T93-T97 PolarHBondContact O-OG1 2.84Å
94	N	98.3	Very high	98.2	Very high	34 Å²	34	60.2 Å²	60.2	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-36.3	177	-72.6	-17.3	0	0	0	112.3	H33 F46 I90 Q96 T97 Y98	H33-N94 PolarHBondContact CE1-ND2 3.37Å; F46-N94 HydrophobicContact CE1-CB 4.05Å; F46-N94 HydrophobicContact CE2-CB 4.31Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; I90-N94 WeakPolarHBondContact O-CB 3.35Å; I90-N94 PolarHBondContact O-N 2.74Å; N94-Q96 PolarHBondContact O-N 2.95Å; N94-T97 PolarHBondContact O-N 3.49Å; N94-Y98 HydrophobicContact CB-CD2 4.47Å; N94-Y98 WeakPolarHBondContact O-CB 3.38Å; N94-Y98 WeakPolarHBondContact O-CD2 3.25Å; N94-Y98 PolarHBondContact O-N 2.93Å
95	T	98.4	Very high	98.1	Very high	12 Å²	12	58.7 Å²	58.7	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-57	-39.3	174.1	-58.9	0	0	0	0	111.9	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.95Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.37Å; S91-T95 PolarHBondContact O-N 3.08Å; S91-T95 PolarHBondContact O-OG1 3.26Å; K92-T95 WeakPolarHBondContact O-CB 3.44Å; K92-T95 PolarHBondContact O-N 2.82Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.92Å; T95-R99 WeakPolarHBondContact O-CB 3.47Å; T95-R99 PolarHBondContact O-N 3.25Å
96	Q	98.1	Very high	98.1	Very high	84 Å²	84	56.6 Å²	56.6	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-74.6	-44.9	176.3	-57.9	-52.1	-46.9	0	0	111.8	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.03Å; T93-Q96 WeakPolarHBondContact O-CB 3.17Å; T93-Q96 PolarHBondContact O-N 2.89Å; N94-Q96 PolarHBondContact O-N 2.95Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.41Å; Q96-R99 WeakPolarHBondContact O-CB 3.46Å; Q96-R99 PolarHBondContact O-N 2.98Å; Q96-E100 PolarHBondContact O-N 3.41Å
97	T	98.1	Very high	98	Very high	63 Å²	63	53.5 Å²	53.5	39%	0.387	27%	0.27	S	S	.	.	H	α-helix	trans	-58.3	-42.2	178.4	-55.9	0	0	0	0	112.2	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 3.27Å; T93-T97 PolarHBondContact O-OG1 2.84Å; N94-T97 PolarHBondContact O-N 3.49Å; T97-E100 PolarHBondContact O-N 3.41Å; T97-S101 WeakPolarHBondContact O-CB 3.36Å; T97-S101 PolarHBondContact O-N 2.79Å; T97-S101 PolarHBondContact O-OG 3.24Å
98	Y	98.3	Very high	98	Very high	24 Å²	24	55.4 Å²	55.4	9%	0.094	28%	0.277	C	S	.	.	H	α-helix	trans	-70.7	-35.4	178.7	-85.8	-110.9	0	0	0	112.3	H33 F46 N94 Q96 S101 L102 L119 S121	H33-Y98 HydrophobicContact CB-CE1 3.95Å; H33-Y98 AromaticContact ND1-CE2 3.93Å; H33-Y98 AromaticContact ND1-CZ 3.82Å; H33-Y98 PolarHBondContact ND1-OH 3.18Å; F46-Y98 HydrophobicContact CD2-CD1 4.25Å; F46-Y98 HydrophobicContact CD2-CD2 4.35Å; F46-Y98 AromaticContact CD2-CG 3.94Å; F46-Y98 HydrophobicContact CD2-CG 3.94Å; F46-Y98 HydrophobicContact CE2-CD1 4.03Å; F46-Y98 AromaticContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CE1 4.31Å; F46-Y98 HydrophobicContact CE2-CE2 4.08Å; F46-Y98 AromaticContact CE2-CG 3.74Å; F46-Y98 HydrophobicContact CE2-CG 3.74Å; N94-Y98 HydrophobicContact CB-CD2 4.47Å; N94-Y98 WeakPolarHBondContact O-CB 3.38Å; N94-Y98 WeakPolarHBondContact O-CD2 3.25Å; N94-Y98 PolarHBondContact O-N 2.93Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.41Å; Y98-S101 PolarHBondContact O-N 2.92Å; Y98-L102 WeakPolarHBondContact O-CB 3.36Å; Y98-L102 WeakPolarHBondContact O-CG 3.35Å; Y98-L102 PolarHBondContact O-N 3.32Å; Y98-L119 HydrophobicContact CD1-CB 4.39Å; Y98-L119 HydrophobicContact CD1-CD2 3.69Å; Y98-L119 HydrophobicContact CD1-CG 3.88Å; Y98-L119 HydrophobicContact CE1-CD2 4.02Å; Y98-L119 HydrophobicContact CE1-CG 3.91Å; Y98-L119 HydrophobicContact CG-CD2 4.36Å; Y98-S121 WeakPolarHBondContact OH-CB 3.18Å; Y98-S121 PolarHBondContact OH-OG 3.08Å
99	R	97.9	Very high	97.9	Very high	46 Å²	46	58.1 Å²	58.1	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-46.4	172.8	174.9	-168.9	-59.6	-175.3	-10.2	111.4	E43 P44 T95 Q96 R103	E43-R99 WeakPolarHBondContact OE2-CD 3.17Å; E43-R99 IonicContact OE2-CZ 3.54Å; E43-R99 VanDerWaalsContact OE2-CZ 3.25Å; E43-R99 IonicContact OE2-NE 3.67Å; E43-R99 PolarHBondContact OE2-NE 3.19Å; E43-R99 IonicContact OE2-NH1 3.73Å; E43-R99 IonicContact OE2-NH2 3.73Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.19Å; T95-R99 WeakPolarHBondContact O-CB 3.47Å; T95-R99 PolarHBondContact O-N 3.25Å; Q96-R99 WeakPolarHBondContact O-CB 3.46Å; Q96-R99 PolarHBondContact O-N 2.98Å; R99-R103 WeakPolarHBondContact O-CG 3.2Å; R99-R103 PolarHBondContact O-N 2.83Å
100	E	97.8	Very high	97.8	Very high	114 Å²	114	59.9 Å²	59.9	53%	0.533	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-41.4	175.7	-69.9	179.4	-178.6	0	0	111.7	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.41Å; T97-E100 PolarHBondContact O-N 3.41Å; E100-L102 PolarHBondContact O-N 2.97Å; E100-R103 WeakPolarHBondContact O-CB 3.37Å; E100-R103 PolarHBondContact O-N 2.67Å; E100-R103 VanDerWaalsContact O-N 3.13Å; E100-N104 PolarHBondContact O-N 3.31Å; E100-N104 PolarHBondContact O-ND2 2.7Å
101	S	98	Very high	97.8	Very high	38 Å²	38	59.5 Å²	59.5	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-43.6	177.5	-60.5	0	0	0	0	111.8	T97 Y98 R103 N104 L105 L119	T97-S101 WeakPolarHBondContact O-CB 3.36Å; T97-S101 PolarHBondContact O-N 2.79Å; T97-S101 PolarHBondContact O-OG 3.24Å; Y98-S101 PolarHBondContact O-N 2.92Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.1Å; S101-N104 PolarHBondContact O-N 2.82Å; S101-L105 WeakPolarHBondContact O-CB 3.33Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.31Å; S101-L105 PolarHBondContact O-N 3.06Å; S101-L119 VanDerWaalsContact CB-CD2 3.49Å
102	L	98.2	Very high	97.6	Very high	9 Å²	9	63.1 Å²	63.1	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-59.5	-39.1	174.2	-77.4	169.2	0	0	0	112.5	S35 P44 Y98 E100 R106 H117 L119 Y142	S35-L102 WeakPolarHBondContact OG-CD1 3.19Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.97Å; Y98-L102 WeakPolarHBondContact O-CB 3.36Å; Y98-L102 WeakPolarHBondContact O-CG 3.35Å; Y98-L102 PolarHBondContact O-N 3.32Å; E100-L102 PolarHBondContact O-N 2.97Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.26Å; L102-R106 VanDerWaalsContact O-N 3.11Å; L102-H117 HydrophobicContact CD2-CB 4.35Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L102-Y142 HydrophobicContact CD2-CE2 4Å
103	R	96.6	Very high	97.3	Very high	130 Å²	130	65.2 Å²	65.2	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-66.3	-42.6	175.6	-67.9	175.4	-173.4	166.9	1.7	111.5	E43 R99 E100 S101 G107	E43-R103 IonicContact OE2-NH2 3.35Å; R99-R103 WeakPolarHBondContact O-CG 3.2Å; R99-R103 PolarHBondContact O-N 2.83Å; E100-R103 WeakPolarHBondContact O-CB 3.37Å; E100-R103 PolarHBondContact O-N 2.67Å; E100-R103 VanDerWaalsContact O-N 3.13Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.1Å; R103-G107 PolarHBondContact O-N 2.9Å
104	N	97.3	Very high	97	Very high	84 Å²	84	66 Å²	66	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-64.8	-47.7	178	-71.4	-27.5	0	0	0	111.9	E100 S101 R106 G107 Y108	E100-N104 PolarHBondContact O-N 3.31Å; E100-N104 PolarHBondContact O-ND2 2.7Å; S101-N104 PolarHBondContact O-N 2.82Å; N104-R106 PolarHBondContact O-N 2.87Å; N104-G107 CarbonylContact O-C 3.48Å; N104-G107 WeakPolarHBondContact O-CA 3.34Å; N104-G107 PolarHBondContact O-N 3.05Å; N104-Y108 WeakPolarHBondContact O-CD1 3.46Å; N104-Y108 PolarHBondContact O-N 3.05Å
105	L	98.1	Very high	96.7	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-46.5	-179.9	-71.4	165.9	0	0	0	111.2	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.33Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.31Å; S101-L105 PolarHBondContact O-N 3.06Å; L105-G107 PolarHBondContact O-N 2.75Å; L105-Y108 PolarHBondContact O-N 3.32Å; L105-Y109 HydrophobicContact CD2-CE2 4.29Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 3.03Å; L105-L119 HydrophobicContact CD1-CB 4.5Å; L105-L119 HydrophobicContact CD1-CD1 3.77Å; L105-L119 HydrophobicContact CD1-CD2 3.93Å; L105-L119 HydrophobicContact CD1-CG 4.28Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.09Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.78Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.54Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CG-CD2 4.33Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; L105-Y147 HydrophobicContact CD2-CD1 4.42Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.85Å; L105-Y147 HydrophobicContact CD2-CE2 3.38Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.42Å
106	R	96.9	Very high	96.7	Very high	63 Å²	63	68.4 Å²	68.4	24%	0.238	37%	0.37	C	S	.	.	H	α-helix	trans	-53.6	-40.5	173.7	-172.1	-175.7	65.5	176.6	9.5	111.9	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.26Å; L102-R106 VanDerWaalsContact O-N 3.11Å; N104-R106 PolarHBondContact O-N 2.87Å; R106-N110 PolarHBondContact O-N 3.48Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 WeakPolarHBondContact CG-O 3.23Å; R106-Q111 PolarHBondContact O-N 3.23Å; R106-E113 IonicContact CZ-OE1 2.77Å; R106-E113 IonicContact NH1-OE1 3.63Å; R106-E113 IonicContact NH2-OE1 2.85Å; R106-E113 PolarHBondContact NH2-OE1 3.14Å
107	G	96.9	Very high	96.7	Very high	43 Å²	43	65.4 Å²	65.4	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-44.9	174.3	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.9Å; N104-G107 CarbonylContact O-C 3.48Å; N104-G107 WeakPolarHBondContact O-CA 3.34Å; N104-G107 PolarHBondContact O-N 3.05Å; L105-G107 PolarHBondContact O-N 2.75Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.45Å; G107-N110 PolarHBondContact O-N 3.2Å; G107-N110 VanDerWaalsContact O-N 3.15Å
108	Y	97.9	Very high	96.7	Very high	58 Å²	58	64.6 Å²	64.6	23%	0.227	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-35.2	179.8	-63.7	-7.9	0	0	0	112.4	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.46Å; N104-Y108 PolarHBondContact O-N 3.05Å; L105-Y108 PolarHBondContact O-N 3.32Å; Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CD2-CB 4.45Å; Y108-I166 HydrophobicContact CD2-CD1 4.37Å; Y108-I166 HydrophobicContact CE1-CG2 4.32Å; Y108-I166 HydrophobicContact CE2-CB 4.18Å; Y108-I166 HydrophobicContact CE2-CG2 3.97Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 3.4Å
109	Y	97.8	Very high	96.7	Very high	67 Å²	67	63.9 Å²	63.9	26%	0.263	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4	178	-68.8	-72.6	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.29Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 3.03Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.45Å; Y109-Q111 PolarHBondContact O-N 2.64Å; Y109-Y142 AromaticContact CD2-CD1 3.67Å; Y109-Y142 HydrophobicContact CD2-CD1 3.67Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.45Å; Y109-Y142 HydrophobicContact CE2-CD1 3.45Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.42Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.19Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.79Å; Y109-D161 PolarHBondContact OH-OD2 2.85Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96.8	Very high	96.7	Very high	151 Å²	151	65.1 Å²	65.1	81%	0.807	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.5	-177.7	-57.7	-60.1	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 3.48Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.2Å; G107-N110 VanDerWaalsContact O-N 3.15Å
111	Q	96.9	Very high	96.8	Very high	60 Å²	60	60.1 Å²	60.1	28%	0.28	33%	0.332	S	S	.	.			trans	-87.6	154.4	-176.6	-70.9	165.6	-33.2	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 WeakPolarHBondContact CG-O 3.23Å; R106-Q111 PolarHBondContact O-N 3.23Å; Y109-Q111 PolarHBondContact O-N 2.64Å; Q111-H117 PolarHBondContact NE2-CE1 3.27Å; Q111-H117 PolarHBondContact OE1-CE1 2.83Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.26Å; Q111-Y142 PolarHBondContact OE1-OH 3.45Å; Q111-D143 PolarHBondContact NE2-OD2 3.13Å
112	S	94.7	Very high	96.8	Very high	77 Å²	77	59.1 Å²	59.1	54%	0.538	32%	0.323	S	S	.	.			trans	-74	155.2	-178.4	77.7	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3Å; S112-G115 PolarHBondContact O-N 3.46Å
113	E	91.6	Very high	96.8	Very high	135 Å²	135	60.5 Å²	60.5	63%	0.631	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.1	177.9	-55.1	-153.9	125.6	0	0	114.1	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.29Å; P39-E113 WeakPolarHBondContact CG-O 3.19Å; R106-E113 IonicContact CZ-OE1 2.77Å; R106-E113 IonicContact NH1-OE1 3.63Å; R106-E113 IonicContact NH2-OE1 2.85Å; R106-E113 PolarHBondContact NH2-OE1 3.14Å; E113-G115 VanDerWaalsContact C-N 3.33Å
114	A	92.4	Very high	96.9	Very high	86 Å²	86	54.3 Å²	54.3	71%	0.711	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.3	-179.6	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 3Å
115	G	93.1	Very high	97	Very high	21 Å²	21	50.3 Å²	50.3	22%	0.216	28%	0.283	C	S	.	.			trans	-73.1	133.7	179.5	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.44Å; S112-G115 PolarHBondContact O-N 3.46Å; E113-G115 VanDerWaalsContact C-N 3.33Å; G115-H117 PolarHBondContact O-CD2 3.35Å
116	S	97.2	Very high	97	Very high	76 Å²	76	51.3 Å²	51.3	53%	0.531	29%	0.289	S	S	.	.			trans	-82.8	133.2	163.4	179.2	0	0	0	0	108.5	S37	S37-S116 WeakPolarHBondContact O-CB 3.49Å; S37-S116 PolarHBondContact O-OG 2.99Å
117	H	98.2	Very high	97	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.093	28%	0.278	C	S	.	.			trans	-131.1	153.2	-175.8	-64.2	-75.7	0	0	0	110	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.36Å; S37-H117 PolarHBondContact N-O 3.47Å; S37-H117 PolarHBondContact OG-N 2.84Å; S37-H117 PolarHBondContact OG-O 3.49Å; L102-H117 HydrophobicContact CD2-CB 4.35Å; Q111-H117 PolarHBondContact NE2-CE1 3.27Å; Q111-H117 PolarHBondContact OE1-CE1 2.83Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.26Å; G115-H117 PolarHBondContact O-CD2 3.35Å; H117-Y142 HydrophobicContact CB-CE2 3.9Å; H117-Y142 WeakPolarHBondContact CB-OH 3.39Å; H117-Y142 AromaticContact ND1-CZ 3.95Å; H117-Y142 PolarHBondContact ND1-OH 3Å; H117-D143 WeakPolarHBondContact CA-OD1 3.31Å; H117-D143 WeakPolarHBondContact CB-OD1 3.23Å; H117-D143 IonicContact CE1-OD2 3.37Å; H117-D143 IonicContact CG-OD1 3.62Å; H117-D143 IonicContact CG-OD2 3.6Å; H117-D143 IonicContact ND1-OD1 2.98Å; H117-D143 PolarHBondContact ND1-OD1 3.12Å; H117-D143 IonicContact ND1-OD2 3.76Å; H117-D143 PolarHBondContact ND1-OD2 2.7Å
118	N	97.6	Very high	96.9	Very high	46 Å²	46	46.5 Å²	46.5	25%	0.246	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.1	175.2	75.8	31.8	0	0	0	111.9	S35 V36 Y142 D143 G144	S35-N118 CarbonylContact O-C 3.53Å; S35-N118 WeakPolarHBondContact O-CA 3.48Å; V36-N118 HydrophobicContact CG2-CB 4.3Å; N118-Y142 WeakPolarHBondContact O-CA 3.41Å; N118-Y142 WeakPolarHBondContact O-CD2 3.04Å; N118-D143 PolarHBondContact N-OD1 2.91Å; N118-D143 PolarHBondContact O-N 2.71Å; N118-D143 WeakPolarHBondContact OD1-CA 3.38Å; N118-D143 PolarHBondContact OD1-N 3.16Å; N118-G144 PolarHBondContact OD1-N 2.74Å; N118-G144 VanDerWaalsContact OD1-N 3.07Å
119	L	98.8	Very high	96.7	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.2	170	174	60.6	0	0	0	107.4	S35 Y98 S101 L102 L105 A141 Y142	S35-L119 PolarHBondContact N-O 2.96Å; S35-L119 PolarHBondContact O-N 2.89Å; Y98-L119 HydrophobicContact CD1-CB 4.39Å; Y98-L119 HydrophobicContact CD1-CD2 3.69Å; Y98-L119 HydrophobicContact CD1-CG 3.88Å; Y98-L119 HydrophobicContact CE1-CD2 4.02Å; Y98-L119 HydrophobicContact CE1-CG 3.91Å; Y98-L119 HydrophobicContact CG-CD2 4.36Å; S101-L119 VanDerWaalsContact CB-CD2 3.49Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L105-L119 HydrophobicContact CD1-CB 4.5Å; L105-L119 HydrophobicContact CD1-CD1 3.77Å; L105-L119 HydrophobicContact CD1-CD2 3.93Å; L105-L119 HydrophobicContact CD1-CG 4.28Å; L119-A141 WeakPolarHBondContact CA-O 3.41Å; L119-A141 WeakPolarHBondContact CD1-O 3.5Å; L119-Y142 HydrophobicContact CB-CD2 4.48Å
120	Q	98.8	Very high	96.4	Very high	73 Å²	73	50 Å²	50	34%	0.341	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.7	-178.6	-59.9	176.6	-93.1	0	0	109.5	H33 T34 S140 A141	H33-Q120 CarbonylContact O-C 3.55Å; H33-Q120 WeakPolarHBondContact O-CA 3.27Å; T34-Q120 HydrophobicContact CG2-CG 4.22Å; Q120-S140 CarbonylContact O-C 3.5Å; Q120-S140 WeakPolarHBondContact O-CA 3.4Å; Q120-A141 HydrophobicContact CB-CB 4.43Å; Q120-A141 PolarHBondContact N-O 3.13Å; Q120-A141 PolarHBondContact O-N 3.31Å
121	S	98.4	Very high	96.1	Very high	8 Å²	8	43.4 Å²	43.4	6%	0.056	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.1	166.1	88.2	0	0	0	0	111.6	F32 H33 Y98 Q139	F32-S121 WeakPolarHBondContact CA-O 3.4Å; H33-S121 PolarHBondContact N-O 3.38Å; H33-S121 PolarHBondContact O-N 2.98Å; Y98-S121 WeakPolarHBondContact OH-CB 3.18Å; Y98-S121 PolarHBondContact OH-OG 3.08Å; S121-Q139 CarbonylContact C-O 3.58Å; S121-Q139 WeakPolarHBondContact CA-O 3.31Å; S121-Q139 WeakPolarHBondContact CB-O 3.36Å
122	M	98.7	Very high	96	Very high	17 Å²	17	48.8 Å²	48.8	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.2	168.8	-174.7	-77.5	-68	0	0	108	R30 Y31 F32 H137 D138 Q139	R30-M122 HydrophobicContact CG-SD 4.48Å; Y31-M122 WeakPolarHBondContact O-CA 3.31Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.09Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.93Å; M122-H137 HydrophobicContact CE-CB 3.88Å; M122-H137 HydrophobicContact SD-CB 4.12Å; M122-D138 WeakPolarHBondContact O-CA 3.41Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-NE2 3.3Å; M122-Q139 PolarHBondContact N-O 3.44Å; M122-Q139 PolarHBondContact O-N 2.89Å
123	Y	98.6	Very high	96.2	Very high	38 Å²	38	47.5 Å²	47.5	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.2	172.1	69.1	-80.2	0	0	0	110.4	R30 Y31 H33 H137 D138 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.28Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.8Å; Y31-Y123 HydrophobicContact CD2-CE2 3.8Å; Y31-Y123 AromaticContact CD2-CZ 3.85Å; Y31-Y123 HydrophobicContact CG-CE1 4.33Å; Y31-Y123 HydrophobicContact CG-CE2 4.25Å; Y31-Y123 AromaticContact CG-CZ 3.82Å; Y31-Y123 PolarHBondContact N-O 2.99Å; Y31-Y123 PolarHBondContact O-N 3.35Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; H33-Y123 AromaticContact CE1-CE1 3.41Å; H33-Y123 VanDerWaalsContact CE1-CE1 3.41Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.45Å; H33-Y123 AromaticContact ND1-CE1 3.98Å; H33-Y123 AromaticContact NE2-CE1 3.62Å; Y123-H137 CarbonylContact C-O 3.52Å; Y123-H137 WeakPolarHBondContact CA-O 3.42Å; Y123-H137 VanDerWaalsContact CB-O 3.27Å; Y123-H137 WeakPolarHBondContact CB-O 3.49Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.36Å; Y123-Y183 AromaticContact CD2-CE1 3.92Å; Y123-Y183 HydrophobicContact CD2-CE1 3.92Å; Y123-Y183 AromaticContact CE2-CE1 3.9Å; Y123-Y183 HydrophobicContact CE2-CE1 3.9Å
124	G	98.6	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-175.9	-179.1	0	0	0	0	0	113.8	M29 H137 L184	M29-G124 CarbonylContact O-C 3.5Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; G124-H137 PolarHBondContact N-O 3.46Å; G124-H137 PolarHBondContact O-N 3.32Å; G124-L184 VanDerWaalsContact O-CD2 3.23Å; G124-L184 WeakPolarHBondContact O-CD2 3.49Å
125	C	98.7	Very high	96.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.7	-173.8	50.9	0	0	0	0	111	S28 M29 L133 R135 C188 V189	S28-C125 CarbonylContact C-O 3.53Å; S28-C125 VanDerWaalsContact CA-O 3.31Å; S28-C125 WeakPolarHBondContact CA-O 3.41Å; M29-C125 PolarHBondContact N-O 3.43Å; M29-C125 PolarHBondContact O-N 2.96Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.43Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.29Å; C125-C188 PolarHBondContact N-SG 2.79Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 PolarHBondContact SG-O 3.33Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.4Å; C125-V189 HydrophobicContact CB-CG2 4.37Å
126	D	98.4	Very high	96.9	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.16	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.7	171.6	-54	-25	0	0	0	108.4	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.5Å; H27-D126 WeakPolarHBondContact O-CA 3.3Å; S28-D126 WeakPolarHBondContact CB-OD1 3.5Å; R30-D126 IonicContact CZ-OD1 3.63Å; R30-D126 IonicContact NE-OD1 2.66Å; R30-D126 PolarHBondContact NE-OD1 3.37Å; R30-D126 VanDerWaalsContact NE-OD1 3.15Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.99Å; R30-D126 PolarHBondContact NH2-OD1 3.35Å; R30-D126 IonicContact NH2-OD2 3.93Å; R30-D126 PolarHBondContact NH2-OD2 2.9Å; D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 3.31Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.47Å; D126-R135 PolarHBondContact O-N 3.48Å; D126-H137 IonicContact OD1-NE2 3Å; D126-H137 IonicContact OD2-CD2 3.57Å; D126-H137 IonicContact OD2-CE1 3.66Å; D126-H137 IonicContact OD2-NE2 3.18Å; D126-H137 PolarHBondContact OD2-NE2 3.49Å
127	V	97.8	Very high	97	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.7	178.8	-60.2	0	0	0	0	110.8	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.41Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.95Å; H27-V127 PolarHBondContact O-N 3.42Å; V127-R132 WeakPolarHBondContact CA-O 3.29Å; V127-R132 WeakPolarHBondContact CB-O 3.47Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.56Å; V127-L192 HydrophobicContact CG2-CG 4.16Å
128	G	94.9	Very high	97	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.031	22%	0.217	C	C	.	.			trans	-81.2	-177.5	174.1	0	0	0	0	0	112.2	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.6Å; G128-D130 PolarHBondContact O-N 3.32Å; G128-G131 WeakPolarHBondContact O-CA 3.49Å; G128-G131 PolarHBondContact O-N 3.46Å; G128-R132 PolarHBondContact N-O 3.46Å; G128-R132 VanDerWaalsContact N-O 3.08Å
129	P	92.2	Very high	97	Very high	103 Å²	103	45.8 Å²	45.8	67%	0.669	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.6	177.5	-23.4	32.3	0	0	0	114.2	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.24Å; G25-P129 WeakPolarHBondContact O-CG 3.4Å; P129-G131 PolarHBondContact O-N 3.31Å
130	D	91.3	Very high	97	Very high	95 Å²	95	46.1 Å²	46.1	51%	0.508	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	1.6	174.2	71.9	-12	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.32Å; D130-R132 PolarHBondContact O-N 2.96Å; D130-R132 WeakPolarHBondContact OD1-CB 3.31Å; D130-R132 PolarHBondContact OD1-N 2.95Å; D130-R132 WeakPolarHBondContact OD2-CD 3.47Å; D130-R132 WeakPolarHBondContact OD2-CG 3.34Å; D130-R132 IonicContact OD2-CZ 3.57Å; D130-R132 IonicContact OD2-NE 2.65Å; D130-R132 IonicContact OD2-NH1 2.7Å; D130-R132 PolarHBondContact OD2-NH1 2.93Å
131	G	91.5	Very high	97	Very high	13 Å²	13	43.5 Å²	43.5	13%	0.134	22%	0.219	C	C	.	.			trans	72.4	5.1	-178.4	0	0	0	0	0	114.1	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.49Å; G128-G131 PolarHBondContact O-N 3.46Å; P129-G131 PolarHBondContact O-N 3.31Å; G131-V189 WeakPolarHBondContact O-CG1 3.34Å; G131-R193 VanDerWaalsContact C-NH2 3.34Å; G131-R193 PolarHBondContact O-NE 3.1Å; G131-R193 PolarHBondContact O-NH2 3.47Å
132	R	95.2	Very high	97	Very high	172 Å²	172	43.6 Å²	43.6	65%	0.649	22%	0.218	S	C	*	.			trans	-80	150.5	179.4	-64.9	-173.9	-179.1	148.2	-6.5	111.2	V127 G128 D130 L134	V127-R132 WeakPolarHBondContact CA-O 3.29Å; V127-R132 WeakPolarHBondContact CB-O 3.47Å; G128-R132 PolarHBondContact N-O 3.46Å; G128-R132 VanDerWaalsContact N-O 3.08Å; D130-R132 PolarHBondContact O-N 2.96Å; D130-R132 WeakPolarHBondContact OD1-CB 3.31Å; D130-R132 PolarHBondContact OD1-N 2.95Å; D130-R132 WeakPolarHBondContact OD2-CD 3.47Å; D130-R132 WeakPolarHBondContact OD2-CG 3.34Å; D130-R132 IonicContact OD2-CZ 3.57Å; D130-R132 IonicContact OD2-NE 2.65Å; D130-R132 IonicContact OD2-NH1 2.7Å; D130-R132 PolarHBondContact OD2-NH1 2.93Å; R132-L134 PolarHBondContact O-N 3.48Å
133	L	97.4	Very high	97	Very high	51 Å²	51	45.5 Å²	45.5	27%	0.267	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	123.5	175.3	-174.7	72	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; L133-L154 HydrophobicContact CD2-CD1 4.15Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.87Å
134	L	97.2	Very high	96.9	Very high	109 Å²	109	46.2 Å²	46.2	57%	0.571	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	-44.9	167.9	-64.6	178.8	0	0	0	110.6	D126 R132	D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 3.31Å; R132-L134 PolarHBondContact O-N 3.48Å
135	R	97.3	Very high	96.9	Very high	104 Å²	104	53.9 Å²	53.9	39%	0.392	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	137.4	-176.1	-172.9	172.8	175.1	140	9.1	111.5	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.43Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.47Å; D126-R135 PolarHBondContact O-N 3.48Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; R135-H137 WeakPolarHBondContact CD-CE1 3.33Å; R135-H137 PolarHBondContact NE-CE1 3.49Å; R135-E152 IonicContact CZ-OE1 3.94Å; R135-E152 IonicContact NH1-OE1 3.43Å; R135-E152 PolarHBondContact NH1-OE1 2.89Å; R135-E152 IonicContact NH2-OE1 3.58Å; R135-E152 PolarHBondContact NH2-OE1 3.21Å
136	G	98.2	Very high	96.9	Very high	5 Å²	5	60.2 Å²	60.2	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	149.7	167.3	0	0	0	0	0	110.7
137	H	98.3	Very high	96.9	Very high	22 Å²	22	59.2 Å²	59.2	10%	0.102	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.6	-179.8	-54.7	-97	0	0	0	109.8	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.32Å; R30-H137 VanDerWaalsContact NH2-NE2 3.12Å; M122-H137 HydrophobicContact CE-CB 3.88Å; M122-H137 HydrophobicContact SD-CB 4.12Å; Y123-H137 CarbonylContact C-O 3.52Å; Y123-H137 WeakPolarHBondContact CA-O 3.42Å; Y123-H137 VanDerWaalsContact CB-O 3.27Å; Y123-H137 WeakPolarHBondContact CB-O 3.49Å; G124-H137 PolarHBondContact N-O 3.46Å; G124-H137 PolarHBondContact O-N 3.32Å; D126-H137 IonicContact OD1-NE2 3Å; D126-H137 IonicContact OD2-CD2 3.57Å; D126-H137 IonicContact OD2-CE1 3.66Å; D126-H137 IonicContact OD2-NE2 3.18Å; D126-H137 PolarHBondContact OD2-NE2 3.49Å; R135-H137 WeakPolarHBondContact CD-CE1 3.33Å; R135-H137 PolarHBondContact NE-CE1 3.49Å
138	D	98.6	Very high	97	Very high	18 Å²	18	59.3 Å²	59.3	10%	0.096	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	113.7	162.2	-178.6	84.1	0	0	0	107.5	M122 Y123 L150 L180	M122-D138 WeakPolarHBondContact O-CA 3.41Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.36Å; D138-L150 HydrophobicContact CB-CB 3.96Å; D138-L150 HydrophobicContact CB-CD2 4.18Å; D138-L150 WeakPolarHBondContact O-CB 3.39Å; D138-L150 PolarHBondContact O-N 2.9Å; D138-L180 HydrophobicContact CB-CD1 4.21Å
139	Q	98.6	Very high	97.2	Very high	90 Å²	90	60.6 Å²	60.6	42%	0.421	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.6	-178.1	63.8	-171.5	23.4	0	0	110.9	S121 M122 I148 A149	S121-Q139 CarbonylContact C-O 3.58Å; S121-Q139 WeakPolarHBondContact CA-O 3.31Å; S121-Q139 WeakPolarHBondContact CB-O 3.36Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-NE2 3.3Å; M122-Q139 PolarHBondContact N-O 3.44Å; M122-Q139 PolarHBondContact O-N 2.89Å; Q139-I148 WeakPolarHBondContact CA-O 3.36Å; Q139-A149 HydrophobicContact CB-CB 3.9Å
140	S	98.6	Very high	97.5	Very high	16 Å²	16	56.4 Å²	56.4	11%	0.112	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.1	-179.9	-61.6	0	0	0	0	111.4	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.5Å; Q120-S140 WeakPolarHBondContact O-CA 3.4Å; S140-Y147 WeakPolarHBondContact O-CB 3.16Å; S140-Y147 PolarHBondContact O-N 3.36Å; S140-I148 PolarHBondContact N-O 2.77Å; S140-I148 PolarHBondContact O-N 2.9Å
141	A	98.8	Very high	97.8	Very high	17 Å²	17	54 Å²	54	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.8	176.9	0	0	0	0	0	110.7	L119 Q120 K145	L119-A141 WeakPolarHBondContact CA-O 3.41Å; L119-A141 WeakPolarHBondContact CD1-O 3.5Å; Q120-A141 HydrophobicContact CB-CB 4.43Å; Q120-A141 PolarHBondContact N-O 3.13Å; Q120-A141 PolarHBondContact O-N 3.31Å; A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.37Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å
142	Y	98.8	Very high	98.1	Very high	10 Å²	10	59.9 Å²	59.9	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.3	178	-175.3	-117.6	0	0	0	110.3	L102 L105 Y109 Q111 H117 N118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.09Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.78Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.54Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CG-CD2 4.33Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.67Å; Y109-Y142 HydrophobicContact CD2-CD1 3.67Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.45Å; Y109-Y142 HydrophobicContact CE2-CD1 3.45Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.42Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Q111-Y142 PolarHBondContact OE1-OH 3.45Å; H117-Y142 HydrophobicContact CB-CE2 3.9Å; H117-Y142 WeakPolarHBondContact CB-OH 3.39Å; H117-Y142 AromaticContact ND1-CZ 3.95Å; H117-Y142 PolarHBondContact ND1-OH 3Å; N118-Y142 WeakPolarHBondContact O-CA 3.41Å; N118-Y142 WeakPolarHBondContact O-CD2 3.04Å; L119-Y142 HydrophobicContact CB-CD2 4.48Å; Y142-G144 PolarHBondContact O-N 3.41Å; Y142-K145 PolarHBondContact N-O 3.32Å; Y142-K145 PolarHBondContact O-N 3.33Å
143	D	98.1	Very high	98.2	Very high	57 Å²	57	55.4 Å²	55.4	31%	0.305	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	40.1	-173.3	-67.5	-23.1	0	0	0	113.2	Q111 H117 N118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.13Å; H117-D143 WeakPolarHBondContact CA-OD1 3.31Å; H117-D143 WeakPolarHBondContact CB-OD1 3.23Å; H117-D143 IonicContact CE1-OD2 3.37Å; H117-D143 IonicContact CG-OD1 3.62Å; H117-D143 IonicContact CG-OD2 3.6Å; H117-D143 IonicContact ND1-OD1 2.98Å; H117-D143 PolarHBondContact ND1-OD1 3.12Å; H117-D143 IonicContact ND1-OD2 3.76Å; H117-D143 PolarHBondContact ND1-OD2 2.7Å; N118-D143 PolarHBondContact N-OD1 2.91Å; N118-D143 PolarHBondContact O-N 2.71Å; N118-D143 WeakPolarHBondContact OD1-CA 3.38Å; N118-D143 PolarHBondContact OD1-N 3.16Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 2.89Å
144	G	96.9	Very high	98.3	Very high	54 Å²	54	53.3 Å²	53.3	56%	0.557	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	10	179.3	0	0	0	0	0	115.6	N118 Y142	N118-G144 PolarHBondContact OD1-N 2.74Å; N118-G144 VanDerWaalsContact OD1-N 3.07Å; Y142-G144 PolarHBondContact O-N 3.41Å
145	K	98.4	Very high	98.3	Very high	161 Å²	161	56.1 Å²	56.1	70%	0.7	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.2	176.1	-62.9	179.3	-178	177.5	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.37Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å; Y142-K145 PolarHBondContact N-O 3.32Å; Y142-K145 PolarHBondContact O-N 3.33Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 2.89Å; K145-Y147 PolarHBondContact O-N 3.41Å
146	D	98.6	Very high	98.3	Very high	133 Å²	133	53.1 Å²	53.1	71%	0.711	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53	135.5	174.6	-65.7	-22.2	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-63.4	179	180	-107.9	0	0	0	110.2	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.42Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.85Å; L105-Y147 HydrophobicContact CD2-CE2 3.38Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.42Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.19Å; S140-Y147 WeakPolarHBondContact O-CB 3.16Å; S140-Y147 PolarHBondContact O-N 3.36Å; K145-Y147 PolarHBondContact O-N 3.41Å; Y147-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 PolarHBondContact O-N 2.71Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 2.87Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.42Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.15Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.46Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.6	179.5	-160.6	171.9	0	0	0	110.3	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.36Å; S140-I148 PolarHBondContact N-O 2.77Å; S140-I148 PolarHBondContact O-N 2.9Å; I148-W157 HydrophobicContact CD1-CB 4.32Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.41Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; I148-T158 WeakPolarHBondContact CA-O 3.5Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; I148-Q168 HydrophobicContact CD1-CB 3.95Å; I148-W171 HydrophobicContact CD1-CE3 4.04Å; I148-W171 HydrophobicContact CD1-CZ3 4.3Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.78Å
149	A	98.8	Very high	98.4	Very high	29 Å²	29	56.3 Å²	56.3	24%	0.24	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.5	177.4	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.9Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; A149-T158 PolarHBondContact N-O 3.06Å; A149-T158 PolarHBondContact O-N 2.81Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	54.9 Å²	54.9	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128	168.5	-175.8	66.4	0	0	0	108.5	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.96Å; D138-L150 HydrophobicContact CB-CD2 4.18Å; D138-L150 WeakPolarHBondContact O-CB 3.39Å; D138-L150 PolarHBondContact O-N 2.9Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.12Å; L150-W157 HydrophobicContact CB-CZ3 3.65Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.3Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CZ3 4.5Å; L150-A177 HydrophobicContact CD1-CB 3.99Å; L150-L180 HydrophobicContact CD2-CB 4.22Å; L150-L180 HydrophobicContact CD2-CD1 4.41Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	56.6 Å²	56.6	24%	0.235	31%	0.313	C	S	.	.			trans	-72.4	162.1	179.7	-67.6	-29.2	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.87Å; N151-L154 PolarHBondContact O-N 2.76Å; N151-S156 WeakPolarHBondContact CB-O 3.26Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 3.47Å; N151-S156 PolarHBondContact ND2-OG 2.96Å; N151-T158 WeakPolarHBondContact OD1-CB 3.35Å; N151-T158 PolarHBondContact OD1-OG1 3.38Å
152	E	97.6	Very high	98.3	Very high	137 Å²	137	61 Å²	61	64%	0.64	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.5	-179.3	-65.9	-179.3	-175.8	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.94Å; R135-E152 IonicContact NH1-OE1 3.43Å; R135-E152 PolarHBondContact NH1-OE1 2.89Å; R135-E152 IonicContact NH2-OE1 3.58Å; R135-E152 PolarHBondContact NH2-OE1 3.21Å; E152-L154 PolarHBondContact O-N 2.77Å
153	D	97.5	Very high	98.3	Very high	78 Å²	78	60.8 Å²	60.8	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.5	174.2	70.1	4.9	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.87Å; D153-R155 WeakPolarHBondContact O-CG 3.42Å; D153-R155 PolarHBondContact O-N 2.83Å; D153-R155 PolarHBondContact OD1-N 2.79Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.93Å; D153-S156 PolarHBondContact OD1-OG 2.85Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.45Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
154	L	98.1	Very high	98.3	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.042	32%	0.324	C	S	.	.	S	Bend	trans	53.6	28.3	-175.1	-53	-178.9	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.15Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; N151-L154 PolarHBondContact O-N 2.76Å; E152-L154 PolarHBondContact O-N 2.77Å; L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L154-E185 HydrophobicContact CD1-CG 4.23Å
155	R	97.8	Very high	98.4	Very high	167 Å²	167	59.2 Å²	59.2	63%	0.63	31%	0.314	S	S	*	.	S	Bend	trans	-134.9	-30.9	-174.4	-69.9	172.6	-170.7	-146	5.4	112.8	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.42Å; D153-R155 PolarHBondContact O-N 2.83Å; D153-R155 PolarHBondContact OD1-N 2.79Å; R155-R181 VanDerWaalsContact NH2-NH1 3.12Å
156	S	98.1	Very high	98.4	Very high	41 Å²	41	54.4 Å²	54.4	29%	0.287	30%	0.296	S	S	.	.			trans	-117.7	163.8	-176.5	64.1	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.26Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 3.47Å; N151-S156 PolarHBondContact ND2-OG 2.96Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.93Å; D153-S156 PolarHBondContact OD1-OG 2.85Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.45Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
157	W	98.8	Very high	98.4	Very high	11 Å²	11	48.9 Å²	48.9	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.2	-176	-62.1	95.1	0	0	0	110.9	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.32Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.41Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.12Å; L150-W157 HydrophobicContact CB-CZ3 3.65Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.3Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CZ3 4.5Å; W157-Q168 HydrophobicContact CB-CG 4.04Å; W157-Q168 PolarHBondContact O-NE2 3.12Å; W157-W171 AromaticContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CE3 3.96Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CH2-CD2 4.39Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CH2 4.39Å; W157-W171 AromaticContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CZ2-CD2 4.29Å; W157-W171 AromaticContact CZ2-CE3 3.41Å; W157-W171 HydrophobicContact CZ2-CE3 3.41Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.41Å; W157-W171 AromaticContact CZ2-CZ3 3.95Å; W157-W171 HydrophobicContact CZ2-CZ3 3.95Å; W157-W171 AromaticContact CZ3-CE3 3.49Å; W157-W171 HydrophobicContact CZ3-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.49Å; W157-W171 AromaticContact CZ3-CZ3 3.26Å; W157-W171 HydrophobicContact CZ3-CZ3 3.26Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.07Å; W157-A177 HydrophobicContact CZ2-CB 4.25Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.85Å; W157-L180 HydrophobicContact CZ3-CD1 4.48Å
158	T	98.8	Very high	98.4	Very high	79 Å²	79	50.4 Å²	50.4	49%	0.485	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.6	165.2	-66.4	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.5Å; A149-T158 PolarHBondContact N-O 3.06Å; A149-T158 PolarHBondContact O-N 2.81Å; N151-T158 WeakPolarHBondContact OD1-CB 3.35Å; N151-T158 PolarHBondContact OD1-OG1 3.38Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	57.7 Å²	57.7	19%	0.19	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.1	174.6	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 3.96Å; A159-Q168 HydrophobicContact CB-CB 4.42Å
160	A	98.5	Very high	98.4	Very high	60 Å²	60	61.7 Å²	61.7	50%	0.496	31%	0.314	S	S	.	.	S	Bend	trans	-74.6	-30.7	-176.2	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 PolarHBondContact O-N 2.71Å
161	D	98.4	Very high	98.3	Very high	52 Å²	52	64.3 Å²	64.3	28%	0.278	32%	0.323	S	S	.	.	S	Bend	trans	-150.6	-174.9	-179	66.9	27.5	0	0	0	113	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.79Å; Y109-D161 PolarHBondContact OH-OD2 2.85Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.15Å; D161-A163 WeakPolarHBondContact OD1-CA 3.4Å; D161-A163 WeakPolarHBondContact OD1-CB 3.35Å; D161-A163 PolarHBondContact OD1-N 3.28Å; D161-A164 PolarHBondContact O-N 2.99Å; D161-A164 PolarHBondContact OD1-N 2.85Å; D161-Q165 WeakPolarHBondContact O-CG 3.36Å; D161-Q165 PolarHBondContact O-N 3.39Å
162	T	98.3	Very high	98.3	Very high	110 Å²	110	66.7 Å²	66.7	68%	0.675	33%	0.332	S	S	*	.	H	α-helix	trans	-67.6	-27.1	-178.9	52.2	0	0	0	0	113.8
163	A	98.1	Very high	98.4	Very high	5 Å²	5	64.4 Å²	64.4	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-72.1	-44.2	174.1	0	0	0	0	0	110.1	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 2.87Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.15Å; D161-A163 WeakPolarHBondContact OD1-CA 3.4Å; D161-A163 WeakPolarHBondContact OD1-CB 3.35Å; D161-A163 PolarHBondContact OD1-N 3.28Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.95Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.29Å; A163-I166 PolarHBondContact O-N 2.82Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-33.7	174.4	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.42Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.15Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 2.99Å; D161-A164 PolarHBondContact OD1-N 2.85Å; A164-I166 PolarHBondContact O-N 2.8Å; A164-T167 PolarHBondContact O-N 2.61Å; A164-Q168 PolarHBondContact O-N 3.47Å
165	Q	98.7	Very high	98.4	Very high	77 Å²	77	70.5 Å²	70.5	36%	0.36	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-27.2	173.3	-73	174.1	11.3	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.96Å; D161-Q165 WeakPolarHBondContact O-CG 3.36Å; D161-Q165 PolarHBondContact O-N 3.39Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.95Å; Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 2.98Å; Q165-R169 VanDerWaalsContact O-N 3.09Å
166	I	98.4	Very high	98.4	Very high	60 Å²	60	63.9 Å²	63.9	31%	0.308	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-45.4	173.9	-57.4	171	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CD2-CB 4.45Å; Y108-I166 HydrophobicContact CD2-CD1 4.37Å; Y108-I166 HydrophobicContact CE1-CG2 4.32Å; Y108-I166 HydrophobicContact CE2-CB 4.18Å; Y108-I166 HydrophobicContact CE2-CG2 3.97Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.29Å; A163-I166 PolarHBondContact O-N 2.82Å; A164-I166 PolarHBondContact O-N 2.8Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 2.85Å
167	T	98.4	Very high	98.5	Very high	18 Å²	18	62.3 Å²	62.3	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-45	175.3	-68.2	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.46Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; A164-T167 PolarHBondContact O-N 2.61Å; T167-R169 PolarHBondContact O-N 3.25Å; T167-K170 WeakPolarHBondContact O-CB 3.37Å; T167-K170 PolarHBondContact O-N 3Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.16Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.42Å; T167-W171 HydrophobicContact CG2-CZ2 3.94Å; T167-W171 HydrophobicContact CG2-CZ3 4.49Å; T167-W171 WeakPolarHBondContact O-CB 3.43Å; T167-W171 PolarHBondContact O-N 2.91Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	67.1 Å²	67.1	19%	0.187	36%	0.356	C	S	.	.	H	α-helix	trans	-51.9	-53	176.7	176.7	174.4	9	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.95Å; W157-Q168 HydrophobicContact CB-CG 4.04Å; W157-Q168 PolarHBondContact O-NE2 3.12Å; A159-Q168 HydrophobicContact CB-CB 4.42Å; A164-Q168 PolarHBondContact O-N 3.47Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.93Å; Q168-W171 PolarHBondContact O-N 2.93Å; Q168-W171 VanDerWaalsContact O-N 3.11Å; Q168-E172 HydrophobicContact CG-CG 4.27Å; Q168-E172 VanDerWaalsContact CG-OE1 3.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 2.96Å; Q168-E172 PolarHBondContact NE2-OE1 3.32Å; Q168-E172 WeakPolarHBondContact O-CB 3.35Å; Q168-E172 WeakPolarHBondContact O-CG 3.05Å; Q168-E172 PolarHBondContact O-N 3.07Å
169	R	98.7	Very high	98.4	Very high	158 Å²	158	69.8 Å²	69.8	60%	0.596	36%	0.363	S	S	*	.	H	α-helix	trans	-59.9	-38.4	-179.8	-69.1	170.2	-165.5	157.3	8.6	112.5	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 2.98Å; Q165-R169 VanDerWaalsContact O-N 3.09Å; T167-R169 PolarHBondContact O-N 3.25Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.22Å; R169-A173 PolarHBondContact O-N 3.34Å
170	K	98.3	Very high	98.4	Very high	112 Å²	112	70.3 Å²	70.3	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-43.6	176.1	-71.9	177	176.7	-174.3	0	111.5	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.4Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.37Å; T167-K170 PolarHBondContact O-N 3Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.93Å; K170-A173 PolarHBondContact O-N 3.43Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.37Å; K170-A174 PolarHBondContact O-N 3.17Å
171	W	98.4	Very high	98.4	Very high	71 Å²	71	70.8 Å²	70.8	27%	0.269	35%	0.352	S	S	.	.	H	α-helix	trans	-70.6	-36.9	-178.9	-76.1	8	0	0	0	112.6	I148 W157 T167 Q168 A174 R175 V176	I148-W171 HydrophobicContact CD1-CE3 4.04Å; I148-W171 HydrophobicContact CD1-CZ3 4.3Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.78Å; W157-W171 AromaticContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CE3 3.96Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CH2-CD2 4.39Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CH2 4.39Å; W157-W171 AromaticContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CZ2-CD2 4.29Å; W157-W171 AromaticContact CZ2-CE3 3.41Å; W157-W171 HydrophobicContact CZ2-CE3 3.41Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.41Å; W157-W171 AromaticContact CZ2-CZ3 3.95Å; W157-W171 HydrophobicContact CZ2-CZ3 3.95Å; W157-W171 AromaticContact CZ3-CE3 3.49Å; W157-W171 HydrophobicContact CZ3-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.49Å; W157-W171 AromaticContact CZ3-CZ3 3.26Å; W157-W171 HydrophobicContact CZ3-CZ3 3.26Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.16Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.42Å; T167-W171 HydrophobicContact CG2-CZ2 3.94Å; T167-W171 HydrophobicContact CG2-CZ3 4.49Å; T167-W171 WeakPolarHBondContact O-CB 3.43Å; T167-W171 PolarHBondContact O-N 2.91Å; Q168-W171 PolarHBondContact O-N 2.93Å; Q168-W171 VanDerWaalsContact O-N 3.11Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 2.85Å; W171-R175 WeakPolarHBondContact O-CA 3.47Å; W171-R175 PolarHBondContact O-N 2.92Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CB 4.49Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CG-CB 4.1Å; W171-V176 HydrophobicContact CG-CG1 4.38Å; W171-V176 HydrophobicContact CG-CG2 3.86Å; W171-V176 PolarHBondContact O-N 2.6Å
172	E	98.6	Very high	98.4	Very high	94 Å²	94	71.5 Å²	71.5	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-48.4	171.6	-73	170.5	173.2	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.27Å; Q168-E172 VanDerWaalsContact CG-OE1 3.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 2.96Å; Q168-E172 PolarHBondContact NE2-OE1 3.32Å; Q168-E172 WeakPolarHBondContact O-CB 3.35Å; Q168-E172 WeakPolarHBondContact O-CG 3.05Å; Q168-E172 PolarHBondContact O-N 3.07Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.91Å; E172-R175 PolarHBondContact O-N 3.39Å; E172-R175 VanDerWaalsContact O-N 3.08Å
173	A	98.5	Very high	98.4	Very high	89 Å²	89	68.9 Å²	68.9	74%	0.736	34%	0.343	S	S	*	.	H	α-helix	trans	-60.8	-35.8	177.2	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.22Å; R169-A173 PolarHBondContact O-N 3.34Å; K170-A173 PolarHBondContact O-N 3.43Å
174	A	98.2	Very high	98.4	Very high	58 Å²	58	68.7 Å²	68.7	48%	0.479	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.1	177.9	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.37Å; K170-A174 PolarHBondContact O-N 3.17Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 2.85Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.91Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.08Å; A174-V176 PolarHBondContact O-N 3.32Å
175	R	98.1	Very high	98.4	Very high	155 Å²	155	73 Å²	73	59%	0.585	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.8	-179	-59.4	177.1	171.5	-136.4	7.2	114.1	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.47Å; W171-R175 PolarHBondContact O-N 2.92Å; E172-R175 PolarHBondContact O-N 3.39Å; E172-R175 VanDerWaalsContact O-N 3.08Å; R175-A177 PolarHBondContact O-N 3.3Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.5Å; R175-E178 IonicContact CZ-OE1 2.97Å; R175-E178 IonicContact NE-OE1 2.7Å; R175-E178 IonicContact NH1-OE1 3.63Å; R175-E178 PolarHBondContact NH1-OE1 3.33Å; R175-E178 IonicContact NH1-OE2 2.7Å; R175-E178 WeakPolarHBondContact O-CB 3.4Å; R175-E178 PolarHBondContact O-N 3.11Å; R175-E178 VanDerWaalsContact O-N 3.09Å
176	V	98.4	Very high	98.3	Very high	28 Å²	28	70.4 Å²	70.4	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-35.1	-177.7	176.4	0	0	0	0	111.9	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.07Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CB 4.49Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CG-CB 4.1Å; W171-V176 HydrophobicContact CG-CG1 4.38Å; W171-V176 HydrophobicContact CG-CG2 3.86Å; W171-V176 PolarHBondContact O-N 2.6Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.08Å; A174-V176 PolarHBondContact O-N 3.32Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 3.36Å; V176-Q179 PolarHBondContact O-N 3.01Å; V176-Q179 VanDerWaalsContact O-N 3.14Å; V176-L180 HydrophobicContact CG1-CD1 3.92Å; V176-L180 HydrophobicContact CG1-CG 4.26Å; V176-L180 PolarHBondContact O-N 3.16Å
177	A	98.5	Very high	98.3	Very high	9 Å²	9	72.5 Å²	72.5	7%	0.074	36%	0.364	C	S	.	.	H	α-helix	trans	-59.6	-35.1	177.3	0	0	0	0	0	112.8	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.99Å; W157-A177 HydrophobicContact CZ2-CB 4.25Å; R175-A177 PolarHBondContact O-N 3.3Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.43Å; A177-L180 PolarHBondContact O-N 2.89Å; A177-R181 WeakPolarHBondContact O-CB 3.28Å; A177-R181 PolarHBondContact O-N 2.88Å
178	E	98.2	Very high	98.3	Very high	111 Å²	111	71.7 Å²	71.7	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-39	177.6	-63.7	177	-171.6	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.5Å; R175-E178 IonicContact CZ-OE1 2.97Å; R175-E178 IonicContact NE-OE1 2.7Å; R175-E178 IonicContact NH1-OE1 3.63Å; R175-E178 PolarHBondContact NH1-OE1 3.33Å; R175-E178 IonicContact NH1-OE2 2.7Å; R175-E178 WeakPolarHBondContact O-CB 3.4Å; R175-E178 PolarHBondContact O-N 3.11Å; R175-E178 VanDerWaalsContact O-N 3.09Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 3.36Å; E178-A182 WeakPolarHBondContact O-CB 3.32Å; E178-A182 PolarHBondContact O-N 3.41Å
179	Q	97.7	Very high	98.3	Very high	135 Å²	135	70 Å²	70	63%	0.631	35%	0.351	S	S	*	.	H	α-helix	trans	-69.1	-46.2	178	-60.4	177.6	23.5	0	0	111.5	V176 A177 R181 A182 Y183	V176-Q179 PolarHBondContact O-N 3.01Å; V176-Q179 VanDerWaalsContact O-N 3.14Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.43Å; Q179-R181 VanDerWaalsContact C-N 3.35Å; Q179-A182 PolarHBondContact O-N 3.43Å; Q179-Y183 PolarHBondContact O-N 3.04Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å
180	L	98.2	Very high	98.3	Very high	35 Å²	35	68.5 Å²	68.5	18%	0.183	35%	0.351	C	S	.	.	H	α-helix	trans	-63.5	-42.5	177.5	-71.2	171.8	0	0	0	111.4	D138 L150 W157 V176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.21Å; L150-L180 HydrophobicContact CD2-CB 4.22Å; L150-L180 HydrophobicContact CD2-CD1 4.41Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.85Å; W157-L180 HydrophobicContact CZ3-CD1 4.48Å; V176-L180 HydrophobicContact CG1-CD1 3.92Å; V176-L180 HydrophobicContact CG1-CG 4.26Å; V176-L180 PolarHBondContact O-N 3.16Å; A177-L180 PolarHBondContact O-N 2.89Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.98Å; L180-Y183 PolarHBondContact O-N 3.47Å; L180-L184 WeakPolarHBondContact O-CB 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 2.86Å
181	R	98.4	Very high	98.3	Very high	70 Å²	70	65.3 Å²	65.3	26%	0.264	34%	0.336	S	S	.	.	H	α-helix	trans	-59.5	-44.7	175.5	-176.1	173.6	179.8	-136.5	-16.6	111.9	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; R155-R181 VanDerWaalsContact NH2-NH1 3.12Å; A177-R181 WeakPolarHBondContact O-CB 3.28Å; A177-R181 PolarHBondContact O-N 2.88Å; Q179-R181 VanDerWaalsContact C-N 3.35Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.95Å; R181-L184 PolarHBondContact O-N 3.18Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 2.81Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 2.78Å; R181-E185 IonicContact NE-OE1 3.65Å; R181-E185 PolarHBondContact NE-OE1 3.44Å; R181-E185 IonicContact NE-OE2 3.86Å; R181-E185 PolarHBondContact NE-OE2 3.38Å; R181-E185 IonicContact NH2-OE1 3.78Å; R181-E185 PolarHBondContact NH2-OE1 3.17Å; R181-E185 IonicContact NH2-OE2 2.8Å; R181-E185 PolarHBondContact NH2-OE2 2.88Å; R181-E185 WeakPolarHBondContact O-CB 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.24Å; R181-E185 PolarHBondContact O-N 3.03Å
182	A	98.5	Very high	98.3	Very high	67 Å²	67	62 Å²	62	55%	0.554	32%	0.323	S	S	*	.	H	α-helix	trans	-60.3	-41.5	177.3	0	0	0	0	0	112.2	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.32Å; E178-A182 PolarHBondContact O-N 3.41Å; Q179-A182 PolarHBondContact O-N 3.43Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.98Å; A182-G186 PolarHBondContact O-N 3.43Å; A182-G186 VanDerWaalsContact O-N 3.11Å
183	Y	98.4	Very high	98.3	Very high	55 Å²	55	62.9 Å²	62.9	22%	0.216	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-48.3	174.3	169.9	-98.4	0	0	0	112.3	Y123 Q179 L180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.92Å; Y123-Y183 HydrophobicContact CD2-CE1 3.92Å; Y123-Y183 AromaticContact CE2-CE1 3.9Å; Y123-Y183 HydrophobicContact CE2-CE1 3.9Å; Q179-Y183 PolarHBondContact O-N 3.04Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å; L180-Y183 PolarHBondContact O-N 3.47Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.95Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-G186 PolarHBondContact O-N 3.49Å; Y183-E187 HydrophobicContact CD2-CB 3.82Å; Y183-E187 HydrophobicContact CE2-CB 4.05Å; Y183-E187 PolarHBondContact O-N 3.06Å; Y183-E187 VanDerWaalsContact O-N 3.17Å; Y183-C188 HydrophobicContact CD1-CB 4.25Å; Y183-C188 HydrophobicContact CE1-CB 3.8Å; Y183-C188 WeakPolarHBondContact O-CB 3.23Å; Y183-C188 PolarHBondContact O-N 3.12Å
184	L	98.6	Very high	98.3	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-68.5	-38.3	-175.2	-70.2	170.4	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 VanDerWaalsContact O-CD2 3.23Å; G124-L184 WeakPolarHBondContact O-CD2 3.49Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L180-L184 WeakPolarHBondContact O-CB 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 3.18Å; L184-V189 WeakPolarHBondContact O-CG2 3.4Å
185	E	98.3	Very high	98.2	Very high	91 Å²	91	61.6 Å²	61.6	43%	0.425	29%	0.286	S	S	.	.	H	α-helix	trans	-79.7	-21.4	176.4	-69.1	-178.9	169.8	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L154-E185 HydrophobicContact CD1-CG 4.23Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 2.81Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 2.78Å; R181-E185 IonicContact NE-OE1 3.65Å; R181-E185 PolarHBondContact NE-OE1 3.44Å; R181-E185 IonicContact NE-OE2 3.86Å; R181-E185 PolarHBondContact NE-OE2 3.38Å; R181-E185 IonicContact NH2-OE1 3.78Å; R181-E185 PolarHBondContact NH2-OE1 3.17Å; R181-E185 IonicContact NH2-OE2 2.8Å; R181-E185 PolarHBondContact NH2-OE2 2.88Å; R181-E185 WeakPolarHBondContact O-CB 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.24Å; R181-E185 PolarHBondContact O-N 3.03Å
186	G	98.1	Very high	98.2	Very high	22 Å²	22	54.9 Å²	54.9	23%	0.227	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-97.6	-176.5	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.43Å; A182-G186 VanDerWaalsContact O-N 3.11Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-G186 PolarHBondContact O-N 3.49Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.44Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 3.24Å; G186-E190 PolarHBondContact O-N 3.16Å
187	E	98.1	Very high	98.1	Very high	104 Å²	104	59.2 Å²	59.2	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-52.6	-41.4	-170.5	-70	-174.6	-142.9	0	0	113.5	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.82Å; Y183-E187 HydrophobicContact CE2-CB 4.05Å; Y183-E187 PolarHBondContact O-N 3.06Å; Y183-E187 VanDerWaalsContact O-N 3.17Å; E187-V189 PolarHBondContact O-N 2.95Å; E187-E190 PolarHBondContact O-N 2.78Å; E187-W191 WeakPolarHBondContact O-CB 3.4Å; E187-W191 PolarHBondContact O-N 3.24Å
188	C	98.6	Very high	98	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.6	-47.9	179.1	-172.7	0	0	0	0	111.5	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 VanDerWaalsContact CE-SG 3.55Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.29Å; C125-C188 PolarHBondContact N-SG 2.79Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 PolarHBondContact SG-O 3.33Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.4Å; Y183-C188 HydrophobicContact CD1-CB 4.25Å; Y183-C188 HydrophobicContact CE1-CB 3.8Å; Y183-C188 WeakPolarHBondContact O-CB 3.23Å; Y183-C188 PolarHBondContact O-N 3.12Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.44Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-L192 WeakPolarHBondContact O-CB 3.2Å; C188-L192 PolarHBondContact O-N 3.09Å
189	V	98.6	Very high	98	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-40.9	179.8	172.6	0	0	0	0	110.9	C125 V127 G131 L133 L184 G186 E187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.37Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; G131-V189 WeakPolarHBondContact O-CG1 3.34Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.87Å; L184-V189 WeakPolarHBondContact O-CG2 3.4Å; G186-V189 PolarHBondContact O-N 3.24Å; E187-V189 PolarHBondContact O-N 2.95Å; V189-L192 PolarHBondContact O-N 3.29Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 3.06Å
190	E	98.4	Very high	97.8	Very high	127 Å²	127	54.9 Å²	54.9	59%	0.593	26%	0.26	S	S	*	.	H	α-helix	trans	-63.2	-46.5	178.1	-69.9	179.9	173.6	0	0	112	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.16Å; E187-E190 PolarHBondContact O-N 2.78Å; E190-R193 PolarHBondContact O-N 3.45Å; E190-R194 PolarHBondContact O-N 3Å
191	W	98.4	Very high	97.5	Very high	45 Å²	45	61.1 Å²	61.1	17%	0.17	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-44.1	176	-80.6	112.3	0	0	0	111.9	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.38Å; Y83-W191 AromaticContact CD2-CH2 3.76Å; Y83-W191 HydrophobicContact CD2-CH2 3.76Å; Y83-W191 HydrophobicContact CD2-CZ2 4.38Å; Y83-W191 HydrophobicContact CD2-CZ3 4.03Å; Y83-W191 HydrophobicContact CE2-CE3 4.47Å; Y83-W191 HydrophobicContact CE2-CH2 4.11Å; Y83-W191 HydrophobicContact CE2-CZ3 4.01Å; E187-W191 WeakPolarHBondContact O-CB 3.4Å; E187-W191 PolarHBondContact O-N 3.24Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.87Å; W191-R194 WeakPolarHBondContact O-CB 3.07Å; W191-R194 PolarHBondContact O-N 3.13Å; W191-Y195 HydrophobicContact CB-CE2 3.97Å; W191-Y195 HydrophobicContact CE3-CD1 4.45Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 AromaticContact CZ3-CE1 3.96Å; W191-Y195 HydrophobicContact CZ3-CE1 3.96Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.23Å; W191-Y195 PolarHBondContact O-N 2.95Å
192	L	98.6	Very high	97.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-46.2	176.7	175.3	52.3	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.41Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.28Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.56Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; C188-L192 WeakPolarHBondContact O-CB 3.2Å; C188-L192 PolarHBondContact O-N 3.09Å; V189-L192 PolarHBondContact O-N 3.29Å; L192-R194 PolarHBondContact O-N 3.14Å; L192-Y195 PolarHBondContact O-N 3.3Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.13Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 2.62Å
193	R	97.5	Very high	97	Very high	113 Å²	113	56.9 Å²	56.9	43%	0.426	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-44.3	175.6	-72.6	176.6	-171	166.8	2.5	112.3	G131 V189 E190 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.34Å; G131-R193 PolarHBondContact O-NE 3.1Å; G131-R193 PolarHBondContact O-NH2 3.47Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 3.06Å; E190-R193 PolarHBondContact O-N 3.45Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.87Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.49Å; R193-L196 PolarHBondContact O-N 3.4Å; R193-E197 PolarHBondContact O-N 3.05Å
194	R	97.8	Very high	96.7	Very high	119 Å²	119	58.5 Å²	58.5	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-44.8	176.3	178.5	-179.5	173.5	111.1	-5.9	111.3	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.41Å; E79-R194 IonicContact OE1-NE 3.66Å; E79-R194 PolarHBondContact OE1-NE 2.83Å; E79-R194 IonicContact OE1-NH2 2.9Å; E79-R194 PolarHBondContact OE1-NH2 3.43Å; E79-R194 IonicContact OE2-CZ 3.32Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 3.28Å; E79-R194 PolarHBondContact OE2-NH2 3.25Å; E190-R194 PolarHBondContact O-N 3Å; W191-R194 WeakPolarHBondContact O-CB 3.07Å; W191-R194 PolarHBondContact O-N 3.13Å; L192-R194 PolarHBondContact O-N 3.14Å; R194-E197 PolarHBondContact O-N 3.18Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.31Å; R194-N198 PolarHBondContact O-N 3.31Å; R194-N198 PolarHBondContact O-OD1 3.25Å
195	Y	98.1	Very high	96.5	Very high	1 Å²	1	64 Å²	64	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-39.2	178.9	-61.6	-26.7	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.7Å; F57-Y195 HydrophobicContact CE2-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å; W75-Y195 HydrophobicContact CE3-CD1 4.39Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD2 4.28Å; W75-Y195 HydrophobicContact CZ3-CE1 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; I76-Y195 HydrophobicContact CD1-CD1 3.82Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 2.86Å; W191-Y195 HydrophobicContact CB-CE2 3.97Å; W191-Y195 HydrophobicContact CE3-CD1 4.45Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 AromaticContact CZ3-CE1 3.96Å; W191-Y195 HydrophobicContact CZ3-CE1 3.96Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.23Å; W191-Y195 PolarHBondContact O-N 2.95Å; L192-Y195 PolarHBondContact O-N 3.3Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.49Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.08Å; Y195-N198 PolarHBondContact O-N 2.05Å; Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 3.34Å; Y195-L203 WeakPolarHBondContact O-CD1 3.5Å
196	L	97.1	Very high	96.4	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.073	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-36.1	174.9	-71.4	169.2	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 4.01Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.43Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.13Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 2.62Å; R193-L196 PolarHBondContact O-N 3.4Å; L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.08Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 2.99Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; L196-Q204 HydrophobicContact CD2-CG 4.48Å; L196-Q204 PolarHBondContact O-NE2 3.26Å
197	E	96.6	Very high	96.3	Very high	120 Å²	120	61.8 Å²	61.8	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-72	-48.7	174.7	-172.3	59.1	-152.8	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.05Å; R194-E197 PolarHBondContact O-N 3.18Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.08Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 2.93Å; E197-K200 WeakPolarHBondContact O-CB 3.36Å; E197-K200 PolarHBondContact O-N 3.32Å
198	N	97	Very high	96.3	Very high	52 Å²	52	60 Å²	60	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-38.7	177.9	-78.4	0	0	0	0	113	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.43Å; Q78-N198 PolarHBondContact NE2-ND2 2.98Å; E79-N198 PolarHBondContact OE1-ND2 3.45Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.31Å; R194-N198 PolarHBondContact O-N 3.31Å; R194-N198 PolarHBondContact O-OD1 3.25Å; Y195-N198 PolarHBondContact O-N 2.05Å
199	G	96.2	Very high	96.3	Very high	4 Å²	4	60.5 Å²	60.5	4%	0.041	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	19.7	-177.6	0	0	0	0	0	113.8	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 3.34Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 2.93Å; G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.56Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-T202 PolarHBondContact O-OG1 2.91Å; G199-L203 PolarHBondContact O-N 3.28Å
200	K	94.4	Very high	96.3	Very high	108 Å²	108	67.6 Å²	67.6	47%	0.47	31%	0.314	S	S	.	.	H	α-helix	trans	-52.9	-40.6	-170.9	-178.9	173	-174.2	173	0	114.6	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.08Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 2.99Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.36Å; E197-K200 PolarHBondContact O-N 3.32Å; K200-T202 PolarHBondContact O-N 3.03Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3.38Å
201	E	92.4	Very high	96.3	Very high	166 Å²	166	63.2 Å²	63.2	78%	0.776	30%	0.296	S	S	*	.	H	α-helix	trans	-64.2	-24.2	-179.8	-63.1	-172.1	163.2	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-R205 PolarHBondContact O-NH1 2.81Å; E201-R205 VanDerWaalsContact O-NH1 3.13Å
202	T	92.8	Very high	96.2	Very high	43 Å²	43	64.9 Å²	64.9	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-103.2	-68.6	177.2	54.2	0	0	0	0	110.2	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.56Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-T202 PolarHBondContact O-OG1 2.91Å; K200-T202 PolarHBondContact O-N 3.03Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 2.9Å; T202-R205 WeakPolarHBondContact O-CB 3.46Å; T202-R205 PolarHBondContact O-N 3.04Å; T202-R263 VanDerWaalsContact CA-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 2.88Å; T202-R263 PolarHBondContact O-NH2 2.82Å
203	L	93.7	Very high	96.2	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-35.8	-168.9	-62.1	173	0	0	0	114.3	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.37Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.18Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å; Y195-L203 WeakPolarHBondContact O-CD1 3.5Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 PolarHBondContact O-N 3.28Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	92.3	Very high	96.2	Very high	89 Å²	89	62 Å²	62	42%	0.416	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10.8	179.5	-58.8	-178.3	36.2	0	0	113	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.48Å; L196-Q204 PolarHBondContact O-NE2 3.26Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3.38Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 2.9Å
205	R	93.6	Very high	96.1	Very high	117 Å²	117	58.9 Å²	58.9	44%	0.442	29%	0.291	S	S	.	.			trans	-107.9	115.5	177	-169.4	-176.5	78.4	-143.5	3.8	110.2	E201 T202 L203 D207 Y233 R263	E201-R205 PolarHBondContact O-NH1 2.81Å; E201-R205 VanDerWaalsContact O-NH1 3.13Å; T202-R205 WeakPolarHBondContact O-CB 3.46Å; T202-R205 PolarHBondContact O-N 3.04Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-D207 IonicContact CZ-OD1 2.75Å; R205-D207 IonicContact CZ-OD2 3.06Å; R205-D207 IonicContact NE-OD1 3.42Å; R205-D207 PolarHBondContact NE-OD1 2.83Å; R205-D207 IonicContact NE-OD2 3.7Å; R205-D207 IonicContact NH2-OD1 3.19Å; R205-D207 IonicContact NH2-OD2 2.75Å; R205-D207 PolarHBondContact NH2-OD2 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.47Å; R205-R263 PolarHBondContact O-NH2 3.48Å
206	A	95.6	Very high	96	Very high	31 Å²	31	62.5 Å²	62.5	26%	0.256	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-84.3	126.9	167.3	0	0	0	0	0	110.2	Y233 E288	A206-Y233 CarbonylContact C-O 3.51Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.48Å; A206-E288 HydrophobicContact CB-CG 4.38Å
207	D	96.9	Very high	95.9	Very high	36 Å²	36	66.5 Å²	66.5	19%	0.193	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-99	117	175.4	-67	-33.6	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.75Å; R205-D207 IonicContact CZ-OD2 3.06Å; R205-D207 IonicContact NE-OD1 3.42Å; R205-D207 PolarHBondContact NE-OD1 2.83Å; R205-D207 IonicContact NE-OD2 3.7Å; R205-D207 IonicContact NH2-OD1 3.19Å; R205-D207 IonicContact NH2-OD2 2.75Å; R205-D207 PolarHBondContact NH2-OD2 3.3Å; D207-F232 WeakPolarHBondContact O-CA 3.47Å; D207-F232 WeakPolarHBondContact O-CB 3.37Å; D207-Y233 PolarHBondContact N-O 3.12Å; D207-Y233 PolarHBondContact O-N 3.29Å; D207-H287 PolarHBondContact O-CE1 2.74Å
208	P	97.8	Very high	95.7	Very high	67 Å²	67	65.5 Å²	65.5	44%	0.435	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-70.2	149.4	-176.2	25.5	-32.9	0	0	0	112.7	L290	P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.46Å
209	P	98.3	Very high	95.5	Very high	9 Å²	9	65.6 Å²	65.6	6%	0.058	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67.3	135.7	179.2	28.2	-35.1	0	0	0	112.3	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 3.11Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 4.09Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.13Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.4	Very high	95.3	Very high	155 Å²	155	72.6 Å²	72.6	67%	0.674	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	110.9	163.9	-62.4	173.9	-172.3	169.6	0	108	L230	K210-L230 PolarHBondContact N-O 3.05Å; K210-L230 PolarHBondContact O-N 2.85Å
211	T	98.3	Very high	95.2	Very high	34 Å²	34	74.4 Å²	74.4	21%	0.209	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.5	-171.6	57.2	0	0	0	0	113.1	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 3.11Å; T211-W228 WeakPolarHBondContact CA-O 3.39Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.11Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; T211-L294 HydrophobicContact CG2-CD1 4.34Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å
212	H	97.6	Very high	95.4	Very high	80 Å²	80	70.8 Å²	70.8	37%	0.37	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	161	171.5	63.2	-76.4	0	0	0	110.7	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.82Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 3.36Å
213	V	98.3	Very high	95.6	Very high	22 Å²	22	68.9 Å²	68.9	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.7	176.9	-179.4	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.34Å; V213-R226 CarbonylContact C-O 3.58Å; V213-R226 WeakPolarHBondContact CA-O 3.45Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	97.1	Very high	95.8	Very high	32 Å²	32	69.7 Å²	69.7	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	149.2	172.2	63.3	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.44Å; T214-H216 PolarHBondContact OG1-NE2 2.89Å; T214-L225 WeakPolarHBondContact O-CA 3.3Å; T214-R226 PolarHBondContact N-O 2.83Å; T214-R226 PolarHBondContact O-N 3.22Å; T214-W228 PolarHBondContact OG1-NE1 2.87Å
215	H	96.4	Very high	96.1	Very high	53 Å²	53	65.4 Å²	65.4	25%	0.245	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.9	179.5	170.9	-95	0	0	0	109.5	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.42Å; H215-T224 WeakPolarHBondContact CA-O 3.18Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.91Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.91Å
216	H	95.4	Very high	96.3	Very high	77 Å²	77	62.3 Å²	62.3	36%	0.356	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	103.3	-177.8	-54.9	-73.2	0	0	0	109.5	T214 I218 A223 T224 R226	T214-H216 WeakPolarHBondContact CB-NE2 3.44Å; T214-H216 PolarHBondContact OG1-NE2 2.89Å; H216-I218 PolarHBondContact O-N 2.86Å; H216-A223 CarbonylContact O-C 3.51Å; H216-A223 WeakPolarHBondContact O-CA 3.19Å; H216-T224 PolarHBondContact N-O 3.04Å; H216-T224 PolarHBondContact O-N 2.86Å; H216-R226 PolarHBondContact CD2-NH1 3.13Å; H216-R226 VanDerWaalsContact CD2-NH1 3.27Å; H216-R226 PolarHBondContact NE2-NH1 2.9Å; H216-R226 VanDerWaalsContact NE2-NH1 3.13Å
217	P	94.6	Very high	96.4	Very high	98 Å²	98	60.9 Å²	60.9	64%	0.636	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	133	174.2	-21.9	31.9	0	0	0	111.2
218	I	92.9	Very high	96.5	Very high	98 Å²	98	61.5 Å²	61.5	50%	0.503	32%	0.316	S	S	.	.			trans	-101.8	-45	173.6	-60.7	163.4	0	0	0	109.5	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.86Å; I218-E222 PolarHBondContact N-O 3.09Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.36Å; I218-V272 HydrophobicContact CD1-CG1 4.06Å; I218-V272 HydrophobicContact CD1-CG2 4.08Å
219	S	93.4	Very high	96.6	Very high	54 Å²	54	58.3 Å²	58.3	38%	0.378	30%	0.295	S	S	.	.	S	Bend	trans	-146.9	-178.9	177.8	72.4	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 2.88Å; S219-H221 PolarHBondContact OG-N 2.84Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 3.37Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.12Å
220	D	90.7	Very high	96.6	Very high	151 Å²	151	60.4 Å²	60.4	81%	0.807	31%	0.305	S	S	*	.	S	Bend	trans	-62.6	-20	172.8	-65.5	-22.1	0	0	0	112.5	S275	D220-S275 WeakPolarHBondContact O-CB 3.36Å; D220-S275 PolarHBondContact O-OG 3.41Å
221	H	93.7	Very high	96.5	Very high	146 Å²	146	54 Å²	54	68%	0.676	28%	0.284	S	S	*	.	S	Bend	trans	-105.3	-16.2	-174.2	-54.9	-49.5	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.88Å; S219-H221 PolarHBondContact OG-N 2.84Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 CarbonylContact O-C 3.5Å; H221-P274 WeakPolarHBondContact O-CA 3.31Å; H221-S275 PolarHBondContact O-N 3.32Å; H221-S275 PolarHBondContact O-OG 2.93Å
222	E	95.7	Very high	96.5	Very high	91 Å²	91	52.4 Å²	52.4	43%	0.425	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	146.3	-170.9	-66	-180	166.7	0	0	112.6	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.09Å; S219-E222 PolarHBondContact N-O 3.37Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.12Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.1Å; E222-S275 PolarHBondContact N-OG 3.3Å
223	A	96.6	Very high	96.5	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.5	171.6	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.42Å; H216-A223 CarbonylContact O-C 3.51Å; H216-A223 WeakPolarHBondContact O-CA 3.19Å; A223-V272 WeakPolarHBondContact O-CA 3.44Å; A223-V273 PolarHBondContact N-O 2.8Å; A223-V273 PolarHBondContact O-N 3.2Å
224	T	97.9	Very high	96.4	Very high	21 Å²	21	48.6 Å²	48.6	13%	0.129	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.9	168.9	-53.6	0	0	0	0	109.8	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.18Å; H216-T224 PolarHBondContact N-O 3.04Å; H216-T224 PolarHBondContact O-N 2.86Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.36Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.47Å
225	L	98.3	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.2	162.1	-64.1	-176.7	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.34Å; T214-L225 WeakPolarHBondContact O-CA 3.3Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.31Å; L225-V271 HydrophobicContact CB-CG2 4.17Å; L225-V271 PolarHBondContact N-O 3.15Å; L225-V271 PolarHBondContact O-N 2.93Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.79Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	98.4	Very high	96.5	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.6	176.6	-176.3	178.4	-65.2	110.1	1.4	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.58Å; V213-R226 WeakPolarHBondContact CA-O 3.45Å; T214-R226 PolarHBondContact N-O 2.83Å; T214-R226 PolarHBondContact O-N 3.22Å; H216-R226 PolarHBondContact CD2-NH1 3.13Å; H216-R226 VanDerWaalsContact CD2-NH1 3.27Å; H216-R226 PolarHBondContact NE2-NH1 2.9Å; H216-R226 VanDerWaalsContact NE2-NH1 3.13Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.36Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å
227	C	98.4	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.3	175	-172.8	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.24Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; C227-A269 PolarHBondContact N-O 3.15Å; C227-A269 PolarHBondContact O-N 3Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.36Å; C227-C283 WeakPolarHBondContact SG-CB 3.33Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.25Å
228	W	98.6	Very high	96.7	Very high	49 Å²	49	45.2 Å²	45.2	19%	0.186	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.8	179.5	-70.4	89	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.39Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.82Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 3.36Å; T214-W228 PolarHBondContact OG1-NE1 2.87Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.85Å; W228-L230 HydrophobicContact CZ3-CD2 4.39Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.63Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; 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	98.7	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.4	162.4	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 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.11Å; A229-K267 PolarHBondContact N-O 2.92Å; A229-K267 PolarHBondContact O-N 3.07Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.5	Very high	97.2	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.277	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.3	-174.7	-58.5	177.6	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.05Å; K210-L230 PolarHBondContact O-N 2.85Å; W228-L230 HydrophobicContact CE3-CD2 3.85Å; W228-L230 HydrophobicContact CZ3-CD2 4.39Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 3.21Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	98	Very high	97.5	Very high	22 Å²	22	33.1 Å²	33.1	23%	0.227	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.3	29.7	167.2	0	0	0	0	0	114.1	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.07Å; G231-F265 PolarHBondContact N-O 2.85Å
232	F	98.3	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	155.3	-179.6	59.9	-89.1	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.47Å; D207-F232 WeakPolarHBondContact O-CB 3.37Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 3.21Å; F232-P234 VanDerWaalsContact CD2-O 3.27Å; F232-P234 WeakPolarHBondContact CD2-O 3.24Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.75Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.84Å; F232-I237 HydrophobicContact CE2-CG1 4.36Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.77Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; F232-T264 CarbonylContact O-C 3.41Å; F232-T264 WeakPolarHBondContact O-CA 3.41Å; F232-T264 WeakPolarHBondContact O-CB 3.24Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.25Å; F232-F265 HydrophobicContact CD2-CB 4Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.97Å; F232-F265 PolarHBondContact O-N 3.5Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.66Å
233	Y	97.2	Very high	97.8	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-148.9	137.2	171.6	177.6	-82	0	0	0	108.5	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.99Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.25Å; T55-Y233 PolarHBondContact OG1-OH 3.41Å; R205-Y233 WeakPolarHBondContact O-CD1 3.47Å; A206-Y233 CarbonylContact C-O 3.51Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.48Å; D207-Y233 PolarHBondContact N-O 3.12Å; D207-Y233 PolarHBondContact O-N 3.29Å; Y233-R263 HydrophobicContact CD2-CG 3.84Å; Y233-R263 HydrophobicContact CE2-CG 4.05Å; Y233-F265 HydrophobicContact CD2-CE2 4.21Å; Y233-H287 PolarHBondContact O-CE1 2.88Å; Y233-H287 PolarHBondContact O-NE2 3.32Å
234	P	96.5	Very high	97.8	Very high	18 Å²	18	31.9 Å²	31.9	12%	0.117	16%	0.164	C	C	.	.	S	Bend	cis	-70.8	-176.6	1.8	29.6	-35.9	0	0	0	114.1	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; F232-P234 VanDerWaalsContact CD2-O 3.27Å; F232-P234 WeakPolarHBondContact CD2-O 3.24Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-H287 PolarHBondContact O-NE2 3.43Å
235	A	97.3	Very high	97.5	Very high	16 Å²	16	33.2 Å²	33.2	13%	0.132	18%	0.182	C	C	.	.	S	Bend	trans	-71.9	-25.7	-177.9	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.36Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 2.86Å; A235-I237 PolarHBondContact O-N 2.78Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.4Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.72Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.79Å; A235-F265 HydrophobicContact CB-CZ 3.66Å
236	E	96.6	Very high	97.4	Very high	114 Å²	114	40.1 Å²	40.1	53%	0.533	21%	0.214	S	C	.	.			trans	-66.2	118.7	-178.3	-171.8	56.9	-140	0	0	110.3	W23 P234 H287	W23-E236 HydrophobicContact CE3-CG 4.2Å; W23-E236 HydrophobicContact CH2-CB 4.43Å; W23-E236 HydrophobicContact CH2-CG 3.43Å; W23-E236 VanDerWaalsContact CH2-CG 3.43Å; W23-E236 HydrophobicContact CZ2-CG 3.77Å; W23-E236 HydrophobicContact CZ3-CB 4.23Å; W23-E236 HydrophobicContact CZ3-CG 3.64Å; W23-E236 WeakPolarHBondContact CZ3-O 3.45Å; P234-E236 VanDerWaalsContact C-N 3.32Å; E236-H287 PolarHBondContact O-CD2 3.45Å; E236-H287 VanDerWaalsContact O-CD2 3.32Å
237	I	97.4	Very high	97.3	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.051	23%	0.23	C	C	.	.			trans	-155.1	142.9	-175.9	-163.9	171.7	0	0	0	109.8	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.09Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.75Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.84Å; F232-I237 HydrophobicContact CE2-CG1 4.36Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.77Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; A235-I237 PolarHBondContact O-N 2.78Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.61Å; I237-L239 HydrophobicContact CG1-CD1 3.63Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.34Å; I237-H287 HydrophobicContact CD1-CB 4.4Å; I237-H287 HydrophobicContact CG1-CB 4.12Å
238	T	97.8	Very high	97.2	Very high	48 Å²	48	43.5 Å²	43.5	29%	0.294	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.8	173.6	-61.8	0	0	0	0	110.5	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.43Å; T238-Q286 PolarHBondContact N-O 2.85Å; T238-Q286 PolarHBondContact O-N 3.05Å
239	L	97.9	Very high	96.8	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.5	172.8	-86.9	63.8	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.61Å; I237-L239 HydrophobicContact CG1-CD1 3.63Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.33Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.35Å; L239-H284 WeakPolarHBondContact CA-O 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.9	Very high	96.4	Very high	40 Å²	40	55.4 Å²	55.4	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.5	178.8	50.8	0	0	0	0	111.2	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; T240-H284 PolarHBondContact N-O 3.48Å; T240-H284 PolarHBondContact O-N 3.26Å
241	W	98.4	Very high	96	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138	169.8	-82.6	103.9	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.95Å; W241-A269 PolarHBondContact NE1-O 3.37Å; W241-V271 HydrophobicContact CB-CG1 3.69Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CG2 3.65Å; W241-V271 HydrophobicContact CE3-CG2 4.03Å; W241-V271 HydrophobicContact CG-CB 4.4Å; W241-V271 HydrophobicContact CG-CG1 3.63Å; W241-V271 HydrophobicContact CG-CG2 3.85Å; W241-V271 HydrophobicContact CZ2-CG2 4.3Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.11Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	98.1	Very high	95.9	Very high	42 Å²	42	58.5 Å²	58.5	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.3	172	-73.5	-177.9	-5.1	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.05Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D247 PolarHBondContact NE2-OD1 2.9Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.29Å; Q242-T282 PolarHBondContact N-O 2.99Å; Q242-T282 PolarHBondContact O-N 2.78Å; Q242-T282 PolarHBondContact O-OG1 2.78Å; Q242-H284 VanDerWaalsContact CD-NE2 3.31Å; Q242-H284 PolarHBondContact OE1-NE2 3.29Å
243	R	97.7	Very high	95.9	Very high	72 Å²	72	64 Å²	64	27%	0.272	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.7	168.8	-176.3	-172.4	-175.1	-179.7	-1.5	108.4	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.86Å; R243-E246 PolarHBondContact N-O 3.26Å; R243-E246 PolarHBondContact O-N 3Å; R243-Q248 HydrophobicContact CB-CG 4Å; R243-E277 IonicContact CZ-OE2 3.11Å; R243-E277 IonicContact NE-OE2 2.62Å; R243-E277 IonicContact NH2-OE1 2.95Å; R243-E277 IonicContact NH2-OE2 3.74Å; R243-E277 PolarHBondContact NH2-OE2 2.75Å; R243-R280 WeakPolarHBondContact CA-O 3.41Å; R243-R280 HydrophobicContact CG-CB 4.4Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.37Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.43Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.02Å
244	D	95.9	Very high	95.9	Very high	99 Å²	99	68 Å²	68	53%	0.529	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	28.1	-175.8	-54.1	-49.1	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.24Å; D244-R280 WeakPolarHBondContact OD1-CB 3.22Å; D244-R280 IonicContact OD1-NE 3.39Å; D244-R280 PolarHBondContact OD1-NE 3.27Å; D244-R280 IonicContact OD2-CZ 2.71Å; D244-R280 IonicContact OD2-NE 2.82Å; D244-R280 PolarHBondContact OD2-NE 3.24Å; D244-R280 IonicContact OD2-NH2 3.15Å; D244-R280 PolarHBondContact OD2-NH2 2.91Å
245	G	92.4	Very high	95.9	Very high	49 Å²	49	68.7 Å²	68.7	51%	0.505	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-1.1	-177.6	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 2.86Å
246	E	96.1	Very high	95.9	Very high	144 Å²	144	75.5 Å²	75.5	67%	0.673	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.3	176	-62.7	-172.4	169.1	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.05Å; R243-E246 PolarHBondContact N-O 3.26Å; R243-E246 PolarHBondContact O-N 3Å; E246-Q248 PolarHBondContact O-NE2 3.45Å
247	D	95.8	Very high	95.9	Very high	98 Å²	98	72.1 Å²	72.1	52%	0.524	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	135.9	-178.9	-67.7	-25.3	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D247 PolarHBondContact NE2-OD1 2.9Å
248	Q	95.7	Very high	95.9	Very high	25 Å²	25	76.3 Å²	76.3	12%	0.117	40%	0.395	C	S	.	.			trans	-106.6	33.9	-176.9	-58.4	-61.5	-70.6	0	0	112.3	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.95Å; R243-Q248 HydrophobicContact CB-CG 4Å; E246-Q248 PolarHBondContact O-NE2 3.45Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.74Å; Q248-D251 PolarHBondContact O-N 3.41Å; Q248-D251 VanDerWaalsContact O-N 3.14Å; Q248-T252 WeakPolarHBondContact O-CB 3.45Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 2.86Å; Q248-V271 HydrophobicContact CB-CG1 4.41Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	90.8	Very high	95.9	Very high	109 Å²	109	78.4 Å²	78.4	67%	0.669	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.2	-169	-49.5	0	0	0	0	114.1
250	Q	90.6	Very high	95.9	Very high	191 Å²	191	80.4 Å²	80.4	89%	0.893	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-30.8	-178.7	-66.5	-174.4	-0.7	0	0	113.1	Q248	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.74Å
251	D	89.7	Confident	95.7	Very high	116 Å²	116	82.2 Å²	82.2	62%	0.62	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	2.3	-177.7	-56.8	-54.1	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.41Å; Q248-D251 VanDerWaalsContact O-N 3.14Å
252	T	95.9	Very high	95.4	Very high	24 Å²	24	87.2 Å²	87.2	15%	0.147	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.2	179.3	-61.5	0	0	0	0	110.6	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.45Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 2.86Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 2.98Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 WeakPolarHBondContact CA-O 3.11Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.28Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.29Å
253	E	97.3	Very high	95.1	Very high	115 Å²	115	88.1 Å²	88.1	54%	0.537	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	107.1	162.8	-173.7	-174.5	-172.1	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.26Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.42Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.77Å; E253-A270 PolarHBondContact O-N 3.26Å
254	L	97.3	Very high	95.1	Very high	89 Å²	89	85.5 Å²	85.5	47%	0.466	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.6	178.2	-174.2	67.9	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 2.98Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.9	Very high	95.2	Very high	32 Å²	32	82 Å²	82	19%	0.194	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-84.7	153.7	175.6	-65.3	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.44Å; V255-K267 WeakPolarHBondContact O-CG 3.17Å; V255-K267 PolarHBondContact O-NZ 3.36Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.94Å; V255-W268 HydrophobicContact CG1-CE3 4.25Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3Å
256	E	97.1	Very high	95.5	Very high	159 Å²	159	81.8 Å²	81.8	74%	0.743	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.5	146.1	168	-69.1	-56.7	154.5	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 2.99Å
257	T	98.1	Very high	95.7	Very high	43 Å²	43	75.7 Å²	75.7	26%	0.264	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66.6	129.7	174.6	-57.2	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.4Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 2.98Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
258	R	97.6	Very high	95.8	Very high	97 Å²	97	72.2 Å²	72.2	37%	0.366	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.6	-174.4	68.5	-168.7	-178.2	-173.9	4.2	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.99Å; R258-F265 WeakPolarHBondContact O-CA 3.25Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 2.87Å; R258-Q266 WeakPolarHBondContact O-CG 3.21Å; R258-Q266 PolarHBondContact O-N 2.79Å
259	P	97.4	Very high	95.9	Very high	92 Å²	92	71 Å²	71	60%	0.597	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	145	178.9	29	-34.8	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.44Å; P259-F265 HydrophobicContact CB-CE1 4.24Å
260	A	96.6	Very high	96.3	Very high	51 Å²	51	66 Å²	66	42%	0.421	36%	0.355	S	S	.	.			trans	-89	-15.6	172.8	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.35Å; A260-T264 WeakPolarHBondContact CB-O 3.01Å; A260-T264 WeakPolarHBondContact CB-OG1 3.34Å; A260-T264 PolarHBondContact N-O 3.07Å
261	G	93.3	Very high	96.6	Very high	77 Å²	77	57 Å²	57	79%	0.794	31%	0.314	S	S	*	.	S	Bend	trans	94.9	-4.4	179.4	0	0	0	0	0	114.6
262	D	93.1	Very high	97	Very high	108 Å²	108	55.1 Å²	55.1	58%	0.578	31%	0.306	S	S	*	.	S	Bend	trans	-116.6	32.1	-179.6	65	-4.9	0	0	0	112	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.35Å; D262-T264 PolarHBondContact O-N 2.71Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 2.85Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
263	R	92.8	Very high	97.1	Very high	61 Å²	61	54 Å²	54	23%	0.23	30%	0.3	C	S	.	.	S	Bend	trans	74.8	-22.3	-169.3	-177.9	-174.7	166.7	-142.8	-12.8	115	T202 R205 Y233 F265	T202-R263 VanDerWaalsContact CA-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 2.88Å; T202-R263 PolarHBondContact O-NH2 2.82Å; R205-R263 PolarHBondContact O-NH2 3.48Å; Y233-R263 HydrophobicContact CD2-CG 3.84Å; Y233-R263 HydrophobicContact CE2-CG 4.05Å; R263-F265 WeakPolarHBondContact O-CE2 3.38Å
264	T	97.4	Very high	97	Very high	17 Å²	17	50.7 Å²	50.7	10%	0.104	29%	0.288	C	S	.	.			trans	-85.3	168.7	-177.7	75.1	0	0	0	0	113	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.07Å; F232-T264 CarbonylContact O-C 3.41Å; F232-T264 WeakPolarHBondContact O-CA 3.41Å; F232-T264 WeakPolarHBondContact O-CB 3.24Å; A260-T264 WeakPolarHBondContact CB-O 3.01Å; A260-T264 WeakPolarHBondContact CB-OG1 3.34Å; A260-T264 PolarHBondContact N-O 3.07Å; D262-T264 PolarHBondContact O-N 2.71Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 2.85Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
265	F	98.5	Very high	96.8	Very high	26 Å²	26	49.1 Å²	49.1	11%	0.114	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	164.4	179.9	-64.3	-88.4	0	0	0	111.9	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.76Å; G231-F265 PolarHBondContact N-O 2.85Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.25Å; F232-F265 HydrophobicContact CD2-CB 4Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.97Å; F232-F265 PolarHBondContact O-N 3.5Å; Y233-F265 HydrophobicContact CD2-CE2 4.21Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.72Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.79Å; A235-F265 HydrophobicContact CB-CZ 3.66Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.25Å; P259-F265 HydrophobicContact CB-CD1 4.44Å; P259-F265 HydrophobicContact CB-CE1 4.24Å; R263-F265 WeakPolarHBondContact O-CE2 3.38Å
266	Q	98.4	Very high	96.6	Very high	43 Å²	43	50.8 Å²	50.8	20%	0.201	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.3	174.4	44.2	168.6	-21.7	0	0	109.8	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.11Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 2.87Å; R258-Q266 WeakPolarHBondContact O-CG 3.21Å; R258-Q266 PolarHBondContact O-N 2.79Å
267	K	98.6	Very high	96.6	Very high	16 Å²	16	45.7 Å²	45.7	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.1	176.7	-161.8	-176.8	-171.6	69.8	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.92Å; A229-K267 PolarHBondContact O-N 3.07Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.33Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.44Å; V255-K267 WeakPolarHBondContact O-CG 3.17Å; V255-K267 PolarHBondContact O-NZ 3.36Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 2.98Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
268	W	98.4	Very high	96.4	Very high	25 Å²	25	44.6 Å²	44.6	10%	0.095	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.4	169.2	59.7	-99.5	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.24Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.63Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; 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 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.26Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.94Å; V255-W268 HydrophobicContact CG1-CE3 4.25Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.4	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132	174.2	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.36Å; C227-A269 PolarHBondContact N-O 3.15Å; C227-A269 PolarHBondContact O-N 3Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.35Å; W241-A269 PolarHBondContact NE1-O 3.37Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.42Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	98.3	Very high	96.3	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.2	-179.5	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.31Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 WeakPolarHBondContact CA-O 3.11Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.77Å; E253-A270 PolarHBondContact O-N 3.26Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	98.1	Very high	96.4	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.3	174.2	-73	0	0	0	0	109.4	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.47Å; L225-V271 HydrophobicContact CB-CG2 4.17Å; L225-V271 PolarHBondContact N-O 3.15Å; L225-V271 PolarHBondContact O-N 2.93Å; W241-V271 HydrophobicContact CB-CG1 3.69Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CG2 3.65Å; W241-V271 HydrophobicContact CE3-CG2 4.03Å; W241-V271 HydrophobicContact CG-CB 4.4Å; W241-V271 HydrophobicContact CG-CG1 3.63Å; W241-V271 HydrophobicContact CG-CG2 3.85Å; W241-V271 HydrophobicContact CZ2-CG2 4.3Å; Q248-V271 HydrophobicContact CB-CG1 4.41Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.28Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.29Å; V271-V273 HydrophobicContact CB-CG1 4.39Å; V271-V273 HydrophobicContact CG2-CG1 3.77Å; V271-Y281 HydrophobicContact CG2-CD1 4.02Å; V271-Y281 HydrophobicContact CG2-CE1 4.42Å
272	V	97.9	Very high	96.6	Very high	76 Å²	76	39.3 Å²	39.3	46%	0.461	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.4	167.8	-178.9	0	0	0	0	107.8	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.06Å; I218-V272 HydrophobicContact CD1-CG2 4.08Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.44Å
273	V	96.9	Very high	96.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.6	-176	-52.1	0	0	0	0	110.1	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.1Å; A223-V273 PolarHBondContact N-O 2.8Å; A223-V273 PolarHBondContact O-N 3.2Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CB-CG1 4.39Å; V271-V273 HydrophobicContact CG2-CG1 3.77Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274	P	96.8	Very high	97.1	Very high	45 Å²	45	32.9 Å²	32.9	29%	0.292	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	141.4	171	-20.1	32.2	0	0	0	111.5	H221 G276 E277	H221-P274 CarbonylContact O-C 3.5Å; H221-P274 WeakPolarHBondContact O-CA 3.31Å; P274-G276 PolarHBondContact O-N 3.24Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.46Å; P274-E277 WeakPolarHBondContact O-CB 3.31Å; P274-E277 PolarHBondContact O-N 3.39Å
275	S	93.2	Very high	97.2	Very high	56 Å²	56	32.1 Å²	32.1	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	127.6	174.7	-63.7	0	0	0	0	110.9	D220 H221 E222 E277	D220-S275 WeakPolarHBondContact O-CB 3.36Å; D220-S275 PolarHBondContact O-OG 3.41Å; H221-S275 PolarHBondContact O-N 3.32Å; H221-S275 PolarHBondContact O-OG 2.93Å; E222-S275 PolarHBondContact N-OG 3.3Å; S275-E277 VanDerWaalsContact C-N 3.34Å
276	G	92.2	Very high	97.1	Very high	67 Å²	67	34.5 Å²	34.5	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-5.8	-178.9	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.34Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.19Å; G276-E278 PolarHBondContact N-OE2 3.37Å
277	E	96	Very high	97	Very high	51 Å²	51	32.9 Å²	32.9	24%	0.238	18%	0.182	C	C	.	.			trans	-99.6	3.1	175.7	-65.8	-158.8	-159	0	0	113.8	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.11Å; R243-E277 IonicContact NE-OE2 2.62Å; R243-E277 IonicContact NH2-OE1 2.95Å; R243-E277 IonicContact NH2-OE2 3.74Å; R243-E277 PolarHBondContact NH2-OE2 2.75Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.46Å; P274-E277 WeakPolarHBondContact O-CB 3.31Å; P274-E277 PolarHBondContact O-N 3.39Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.04Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.42Å; E277-R280 PolarHBondContact O-N 3.15Å; E277-R280 IonicContact OE1-NH1 3.46Å; E277-R280 IonicContact OE2-CZ 3.45Å; E277-R280 IonicContact OE2-NE 3.79Å; E277-R280 IonicContact OE2-NH1 3.61Å; E277-R280 PolarHBondContact OE2-NH1 3.46Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.22Å
278	E	95.4	Very high	96.8	Very high	21 Å²	21	35.8 Å²	35.8	10%	0.098	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.2	-33.1	-170.4	-56.7	82.1	-179.9	0	0	112.6	H215 L225 V273 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.91Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; G276-E278 WeakPolarHBondContact CA-OE2 3.34Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.19Å; G276-E278 PolarHBondContact N-OE2 3.37Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.16Å; E278-Y281 PolarHBondContact O-N 3.45Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.81Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.73Å
279	Q	95.4	Very high	96.6	Very high	88 Å²	88	35.5 Å²	35.5	41%	0.411	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-72.8	-15.8	-179.5	-63.1	-56.8	-47	0	0	114.2	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.04Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-R297 PolarHBondContact O-NE 3.28Å; Q279-W298 PolarHBondContact NE2-O 3.11Å
280	R	97	Very high	96.5	Very high	98 Å²	98	36.7 Å²	36.7	37%	0.37	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-76.3	-17.9	172.7	-63.4	173.2	67	179	5.5	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.41Å; R243-R280 HydrophobicContact CG-CB 4.4Å; D244-R280 PolarHBondContact N-O 3.24Å; D244-R280 WeakPolarHBondContact OD1-CB 3.22Å; D244-R280 IonicContact OD1-NE 3.39Å; D244-R280 PolarHBondContact OD1-NE 3.27Å; D244-R280 IonicContact OD2-CZ 2.71Å; D244-R280 IonicContact OD2-NE 2.82Å; D244-R280 PolarHBondContact OD2-NE 3.24Å; D244-R280 IonicContact OD2-NH2 3.15Å; D244-R280 PolarHBondContact OD2-NH2 2.91Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.42Å; E277-R280 PolarHBondContact O-N 3.15Å; E277-R280 IonicContact OE1-NH1 3.46Å; E277-R280 IonicContact OE2-CZ 3.45Å; E277-R280 IonicContact OE2-NE 3.79Å; E277-R280 IonicContact OE2-NH1 3.61Å; E277-R280 PolarHBondContact OE2-NH1 3.46Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.16Å
281	Y	97.9	Very high	96.3	Very high	8 Å²	8	42.9 Å²	42.9	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.2	-178.5	-69.5	-100.5	0	0	0	111.1	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.29Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.37Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.43Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.02Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG2-CD1 4.02Å; V271-Y281 HydrophobicContact CG2-CE1 4.42Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.22Å; E278-Y281 PolarHBondContact O-N 3.45Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	98.1	Very high	96	Very high	12 Å²	12	50.5 Å²	50.5	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131	177.9	46	0	0	0	0	110	W241 Q242 H284 T295 L296 R297	W241-T282 VanDerWaalsContact CE3-C 3.4Å; Q242-T282 PolarHBondContact N-O 2.99Å; Q242-T282 PolarHBondContact O-N 2.78Å; Q242-T282 PolarHBondContact O-OG1 2.78Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; T282-T295 HydrophobicContact CG2-CG2 3.98Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	98.3	Very high	96	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131	170.8	173.8	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.36Å; C227-C283 WeakPolarHBondContact SG-CB 3.33Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.25Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; W241-C283 HydrophobicContact CD2-CB 4.11Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.51Å; C283-T295 WeakPolarHBondContact O-CA 3.45Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.13Å; C283-L296 PolarHBondContact O-N 3.38Å
284	H	98.1	Very high	96	Very high	34 Å²	34	53.1 Å²	53.1	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.4	175.4	-62.2	-98.2	0	0	0	110.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.47Å; T240-H284 PolarHBondContact N-O 3.48Å; T240-H284 PolarHBondContact O-N 3.26Å; Q242-H284 VanDerWaalsContact CD-NE2 3.31Å; Q242-H284 PolarHBondContact OE1-NE2 3.29Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.29Å; H284-L294 WeakPolarHBondContact CA-O 3.19Å; H284-T295 PolarHBondContact CE1-OG1 3.24Å; H284-T295 PolarHBondContact ND1-OG1 2.96Å; H284-T295 VanDerWaalsContact ND1-OG1 3.1Å
285	V	98.3	Very high	96	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.6	-177.4	-174.9	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.11Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; T238-V285 WeakPolarHBondContact O-CA 3.43Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.24Å; V285-L294 HydrophobicContact CB-CB 4.39Å; V285-L294 PolarHBondContact N-O 3.2Å; V285-L294 PolarHBondContact O-N 2.99Å; V285-L296 HydrophobicContact CG2-CD1 3.79Å
286	Q	97.8	Very high	96.2	Very high	76 Å²	76	54 Å²	54	36%	0.355	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.7	174.1	-53.3	-176.8	15.4	0	0	109.5	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.34Å; T238-Q286 PolarHBondContact N-O 2.85Å; T238-Q286 PolarHBondContact O-N 3.05Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
287	H	96.7	Very high	96.4	Very high	9 Å²	9	57.8 Å²	57.8	4%	0.042	29%	0.29	C	S	.	.			trans	-159.9	145.3	-178.1	-177.2	-97.2	0	0	0	108.7	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.74Å; P209-H287 HydrophobicContact CG-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.66Å; Y233-H287 PolarHBondContact O-CE1 2.88Å; Y233-H287 PolarHBondContact O-NE2 3.32Å; P234-H287 PolarHBondContact O-NE2 3.43Å; E236-H287 PolarHBondContact O-CD2 3.45Å; E236-H287 VanDerWaalsContact O-CD2 3.32Å; I237-H287 HydrophobicContact CD1-CB 4.4Å; I237-H287 HydrophobicContact CG1-CB 4.12Å; H287-G289 VanDerWaalsContact C-N 3.27Å; H287-G289 PolarHBondContact ND1-N 2.87Å; H287-G289 PolarHBondContact O-N 3.3Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.18Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 3.35Å
288	E	94.1	Very high	96.4	Very high	77 Å²	77	57.6 Å²	57.6	36%	0.36	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-39.2	-179.2	179	-176.3	171.8	0	0	112.8	W23 A206 L290	W23-E288 HydrophobicContact CE3-CB 4.43Å; W23-E288 VanDerWaalsContact O-CD 3.31Å; A206-E288 HydrophobicContact CB-CG 4.38Å; E288-L290 PolarHBondContact O-N 3.17Å; E288-L290 VanDerWaalsContact O-N 3.09Å
289	G	94.3	Very high	96.1	Very high	20 Å²	20	64.5 Å²	64.5	21%	0.206	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.2	176.7	0	0	0	0	0	114.8	H287	H287-G289 VanDerWaalsContact C-N 3.27Å; H287-G289 PolarHBondContact ND1-N 2.87Å; H287-G289 PolarHBondContact O-N 3.3Å
290	L	95.6	Very high	95.5	Very high	25 Å²	25	64.2 Å²	64.2	13%	0.131	33%	0.325	C	S	.	.			trans	-99	125.4	176.9	-65.1	169.9	0	0	0	110.4	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.46Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.18Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 3.35Å; E288-L290 PolarHBondContact O-N 3.17Å; E288-L290 VanDerWaalsContact O-N 3.09Å; L290-K292 WeakPolarHBondContact CB-O 3.36Å; L290-K292 PolarHBondContact O-N 2.85Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.9Å; L290-L294 HydrophobicContact CD2-CD1 3.73Å; L290-L294 HydrophobicContact CD2-CG 3.98Å
291	P	93.3	Very high	93.9	Very high	132 Å²	132	64.3 Å²	64.3	86%	0.857	34%	0.34	S	S	*	.	S	Bend	trans	-66.9	-23	178.2	28	-35.2	0	0	0	112.7
292	K	93.6	Very high	91.5	Very high	164 Å²	164	69.3 Å²	69.3	71%	0.713	38%	0.376	S	S	*	.	S	Bend	trans	-146.1	149.3	173.7	-64.6	-176.2	-177.6	177.7	0	108.9	L290	L290-K292 WeakPolarHBondContact CB-O 3.36Å; L290-K292 PolarHBondContact O-N 2.85Å
293	P	95.9	Very high	89	Confident	72 Å²	72	76.8 Å²	76.8	47%	0.468	41%	0.411	S	S	.	.			trans	-51.1	141	170.5	-27.8	36.2	0	0	0	112	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.24Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
294	L	97.2	Very high	86.3	Confident	61 Å²	61	81 Å²	81	32%	0.319	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.8	173.5	-62.5	178.4	0	0	0	109.9	T211 H284 V285 L290	T211-L294 HydrophobicContact CG2-CD1 4.34Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.29Å; H284-L294 WeakPolarHBondContact CA-O 3.19Å; V285-L294 HydrophobicContact CB-CB 4.39Å; V285-L294 PolarHBondContact N-O 3.2Å; V285-L294 PolarHBondContact O-N 2.99Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.9Å; L290-L294 HydrophobicContact CD2-CD1 3.73Å; L290-L294 HydrophobicContact CD2-CG 3.98Å
295	T	97.9	Very high	83.9	Confident	85 Å²	85	85.5 Å²	85.5	52%	0.521	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.4	170.2	-54.8	0	0	0	0	108.4	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.98Å; C283-T295 CarbonylContact O-C 3.51Å; C283-T295 WeakPolarHBondContact O-CA 3.45Å; H284-T295 PolarHBondContact CE1-OG1 3.24Å; H284-T295 PolarHBondContact ND1-OG1 2.96Å; H284-T295 VanDerWaalsContact ND1-OG1 3.1Å
296	L	97.3	Very high	81.6	Confident	34 Å²	34	88.9 Å²	88.9	18%	0.178	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.6	-175.4	-61.7	139.1	0	0	0	109.7	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.14Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.13Å; C283-L296 PolarHBondContact O-N 3.38Å; V285-L296 HydrophobicContact CG2-CD1 3.79Å
297	R	96.4	Very high	79.7	Confident	146 Å²	146	89.1 Å²	89.1	55%	0.551	50%	0.499	S	S	*	.			trans	-118.3	161.8	166.1	-71.5	-174.6	175.1	157.3	-0.4	109.1	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.28Å; T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 3.45Å
298	W	96	Very high	77.9	Confident	47 Å²	47	94.3 Å²	94.3	18%	0.178	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-68.6	121.4	166.5	171.3	57.1	0	0	0	109.7	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.91Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.79Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.81Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.73Å; Q279-W298 PolarHBondContact NE2-O 3.11Å; W298-P300 HydrophobicContact CE3-CG 4.33Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.05Å; W298-P300 HydrophobicContact CZ3-CG 4.05Å
299	E	89.8	Confident	76.4	Confident	167 Å²	167	96.4 Å²	96.4	78%	0.78	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-98.8	118.1	168.5	-70.7	-177.7	173.5	0	0	108.3	R297 S301	R297-E299 PolarHBondContact O-N 3.45Å; E299-S301 PolarHBondContact O-N 3.49Å; E299-S301 VanDerWaalsContact O-N 3.1Å
300	P	81.6	Confident	75.2	Confident	82 Å²	82	97.5 Å²	97.5	53%	0.532	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-56	121.2	170.9	-19.9	30.4	0	0	0	107.7	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.33Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.05Å; W298-P300 HydrophobicContact CZ3-CG 4.05Å; P300-S302 PolarHBondContact O-N 2.91Å
301	S	62.9	Low	74.1	Confident	99 Å²	99	100.8 Å²	100.8	69%	0.692	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-51.5	116.3	179.6	46.4	0	0	0	0	108.5	E299 Q303	E299-S301 PolarHBondContact O-N 3.49Å; E299-S301 VanDerWaalsContact O-N 3.1Å; S301-Q303 PolarHBondContact O-N 2.97Å
302	S	48.7	Very low	73.3	Confident	113 Å²	113	98.8 Å²	98.8	79%	0.79	56%	0.557	S	S	*	*			trans	-68.2	75.7	164.2	62.2	0	0	0	0	106.6	P300 S304	P300-S302 PolarHBondContact O-N 2.91Å; S302-S304 PolarHBondContact O-N 2.84Å
303	Q	44.8	Very low	72.6	Confident	169 Å²	169	93.5 Å²	93.5	79%	0.79	54%	0.544	S	S	*	.			trans	-60.3	85.4	145.8	-81.4	-172.3	-6.8	0	0	104.1	S301 T305	S301-Q303 PolarHBondContact O-N 2.97Å; Q303-T305 PolarHBondContact O-N 3.21Å; Q303-T305 PolarHBondContact O-OG1 3.39Å
304	S	41.8	Very low	72	Confident	89 Å²	89	91.9 Å²	91.9	62%	0.622	54%	0.54	S	S	*	.			trans	-50.6	98.8	161.2	169.4	0	0	0	0	103.6	S302 V306	S302-S304 PolarHBondContact O-N 2.84Å; S304-V306 PolarHBondContact O-N 2.87Å; S304-V306 VanDerWaalsContact OG-CG2 3.32Å; S304-V306 WeakPolarHBondContact OG-CG2 3.41Å; S304-V306 PolarHBondContact OG-N 2.63Å
305	T	47.8	Very low	71.4	Confident	129 Å²	129	94.3 Å²	94.3	79%	0.791	55%	0.553	S	S	*	*			trans	-66.8	73.8	159.4	-39.4	0	0	0	0	103.3	Q303 P307	Q303-T305 PolarHBondContact O-N 3.21Å; Q303-T305 PolarHBondContact O-OG1 3.39Å; T305-P307 WeakPolarHBondContact O-CD 3.41Å
306	V	50.9	Low	70.8	Confident	70 Å²	70	92.9 Å²	92.9	42%	0.424	55%	0.55	S	S	.	.			trans	-48	121.7	156	-179.9	0	0	0	0	102	S304 I308 I311	S304-V306 PolarHBondContact O-N 2.87Å; S304-V306 VanDerWaalsContact OG-CG2 3.32Å; S304-V306 WeakPolarHBondContact OG-CG2 3.41Å; S304-V306 PolarHBondContact OG-N 2.63Å; V306-I308 WeakPolarHBondContact O-CG1 3.5Å; V306-I308 PolarHBondContact O-N 3.33Å; V306-I311 HydrophobicContact CG1-CD1 3.97Å
307	P	56.4	Low	70.3	Confident	82 Å²	82	95.9 Å²	95.9	53%	0.532	57%	0.569	S	S	.	*			trans	-72.6	77.5	-174.6	29.4	-32.7	0	0	0	106.3	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.41Å; P307-V309 PolarHBondContact O-N 3.03Å; P307-G310 WeakPolarHBondContact O-CA 3.19Å; P307-G310 PolarHBondContact O-N 3.44Å; P307-I311 PolarHBondContact O-N 3.35Å
308	I	59.8	Low	69.9	Low	118 Å²	118	94.1 Å²	94.1	61%	0.605	57%	0.57	S	S	*	*	H	α-helix	trans	-55.3	-35.6	176.3	-66.9	167.4	0	0	0	107.4	V306 G310 I311 V312	V306-I308 WeakPolarHBondContact O-CG1 3.5Å; V306-I308 PolarHBondContact O-N 3.33Å; I308-G310 PolarHBondContact O-N 3.2Å; I308-I311 PolarHBondContact O-N 3Å; I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 3.09Å
309	V	62.8	Low	69.4	Low	121 Å²	121	94.2 Å²	94.2	73%	0.733	58%	0.581	S	S	*	*	H	α-helix	trans	-60.3	-42.5	171.5	-176.2	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.03Å; V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.14Å; V309-A313 PolarHBondContact O-N 3.38Å
310	G	67.9	Low	69.3	Low	43 Å²	43	91.2 Å²	91.2	44%	0.443	57%	0.574	S	S	.	*	H	α-helix	trans	-68.8	-38.6	178.7	0	0	0	0	0	113.2	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.19Å; P307-G310 PolarHBondContact O-N 3.44Å; I308-G310 PolarHBondContact O-N 3.2Å; G310-G314 PolarHBondContact O-N 3.44Å
311	I	74.2	Confident	69.6	Low	93 Å²	93	91.8 Å²	91.8	48%	0.477	58%	0.575	S	S	.	*	H	α-helix	trans	-68.8	-44	176.2	-62.7	172.5	0	0	0	110.5	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 3.97Å; P307-I311 PolarHBondContact O-N 3.35Å; I308-I311 PolarHBondContact O-N 3Å; I311-G314 PolarHBondContact O-N 2.89Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.12Å
312	V	76.6	Confident	70.7	Confident	90 Å²	90	90.8 Å²	90.8	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-43.7	178.2	171.9	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 3.09Å; V312-L315 PolarHBondContact O-N 3.37Å; V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 2.73Å
313	A	77.8	Confident	72.5	Confident	54 Å²	54	90.7 Å²	90.7	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-43.3	175.1	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.14Å; V309-A313 PolarHBondContact O-N 3.38Å; A313-A316 PolarHBondContact O-N 3.23Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.93Å; A313-V317 VanDerWaalsContact O-N 3.08Å
314	G	82.5	Confident	74.4	Confident	38 Å²	38	84.6 Å²	84.6	39%	0.392	54%	0.537	S	S	.	.	H	α-helix	trans	-60.1	-46.1	176.6	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.44Å; I311-G314 PolarHBondContact O-N 2.89Å; G314-V317 PolarHBondContact O-N 3.46Å; G314-L318 PolarHBondContact O-N 2.86Å
315	L	86.3	Confident	76.3	Confident	112 Å²	112	83.2 Å²	83.2	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-65.8	-38.4	177.9	-72.9	171	0	0	0	112.7	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.12Å; V312-L315 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 3.27Å; L315-A319 WeakPolarHBondContact O-CB 3.48Å; L315-A319 PolarHBondContact O-N 2.87Å
316	A	84.5	Confident	78.1	Confident	55 Å²	55	81 Å²	81	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-43.5	176.9	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 2.73Å; A313-A316 PolarHBondContact O-N 3.23Å; A316-A319 PolarHBondContact O-N 3.25Å; A316-V320 WeakPolarHBondContact O-CG2 3.41Å; A316-V320 PolarHBondContact O-N 2.96Å; A316-V320 VanDerWaalsContact O-N 3.12Å
317	V	87.1	Confident	79.6	Confident	97 Å²	97	81.2 Å²	81.2	59%	0.588	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-43.8	176	173.4	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.93Å; A313-V317 VanDerWaalsContact O-N 3.08Å; G314-V317 PolarHBondContact O-N 3.46Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.25Å; V317-V320 PolarHBondContact O-N 3.09Å; V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.36Å; V317-V321 PolarHBondContact O-N 3.43Å
318	L	87.6	Confident	80.6	Confident	109 Å²	109	79.8 Å²	79.8	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-61.5	-41.9	178.6	-126.7	149.3	0	0	0	111.8	G314 L315 V321 V322	G314-L318 PolarHBondContact O-N 2.86Å; L315-L318 PolarHBondContact O-N 3.27Å; L318-V321 PolarHBondContact O-N 3Å; L318-V322 HydrophobicContact CD2-CG2 4.32Å; L318-V322 VanDerWaalsContact O-CG2 3.3Å; L318-V322 WeakPolarHBondContact O-CG2 3.15Å; L318-V322 PolarHBondContact O-N 3.4Å
319	A	86.4	Confident	81.4	Confident	49 Å²	49	76.8 Å²	76.8	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-43.4	176.1	0	0	0	0	0	112.3	L315 A316 V317 V321 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.48Å; L315-A319 PolarHBondContact O-N 2.87Å; A316-A319 PolarHBondContact O-N 3.25Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.25Å; A319-V321 PolarHBondContact O-N 2.9Å; A319-V322 PolarHBondContact O-N 2.8Å; A319-I323 WeakPolarHBondContact O-CD1 3.43Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.38Å; A319-I323 PolarHBondContact O-N 2.96Å
320	V	87	Confident	82	Confident	104 Å²	104	74.8 Å²	74.8	63%	0.63	49%	0.494	S	S	*	.	H	α-helix	trans	-63.1	-42.5	177.3	173.1	0	0	0	0	111.3	A316 V317 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.41Å; A316-V320 PolarHBondContact O-N 2.96Å; A316-V320 VanDerWaalsContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 3.09Å; V320-I323 PolarHBondContact O-N 3.4Å; V320-G324 PolarHBondContact O-N 2.94Å
321	V	88.3	Confident	82.3	Confident	93 Å²	93	78.8 Å²	78.8	56%	0.564	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-44.2	177.8	172.5	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.36Å; V317-V321 PolarHBondContact O-N 3.43Å; L318-V321 PolarHBondContact O-N 3Å; A319-V321 PolarHBondContact O-N 2.9Å; V321-G324 PolarHBondContact O-N 2.95Å; V321-A325 WeakPolarHBondContact O-CB 3.48Å; V321-A325 PolarHBondContact O-N 3.46Å
322	V	86.4	Confident	82.1	Confident	79 Å²	79	78.6 Å²	78.6	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-45.3	178.4	171.9	0	0	0	0	111	L318 A319 G324 A325 V326	L318-V322 HydrophobicContact CD2-CG2 4.32Å; L318-V322 VanDerWaalsContact O-CG2 3.3Å; L318-V322 WeakPolarHBondContact O-CG2 3.15Å; L318-V322 PolarHBondContact O-N 3.4Å; A319-V322 PolarHBondContact O-N 2.8Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.99Å; V322-A325 PolarHBondContact O-N 3.3Å; V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.49Å; V322-V326 PolarHBondContact O-N 2.99Å
323	I	85.4	Confident	81.6	Confident	110 Å²	110	84.1 Å²	84.1	56%	0.564	52%	0.52	S	S	*	.	H	α-helix	trans	-61	-45.3	176.8	-67.6	165.6	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CD1 3.43Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.38Å; A319-I323 PolarHBondContact O-N 2.96Å; V320-I323 PolarHBondContact O-N 3.4Å; I323-A325 PolarHBondContact O-N 2.87Å; I323-V326 PolarHBondContact O-N 2.66Å; I323-V327 HydrophobicContact CG2-CG2 4.41Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.27Å; I323-V327 PolarHBondContact O-N 3Å
324	G	84.4	Confident	80.7	Confident	41 Å²	41	91.6 Å²	91.6	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-59.3	-44.5	176.7	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.94Å; V321-G324 PolarHBondContact O-N 2.95Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.99Å; G324-V327 PolarHBondContact O-N 2.97Å; G324-A328 WeakPolarHBondContact O-CB 3.29Å; G324-A328 PolarHBondContact O-N 3.26Å
325	A	82.9	Confident	79.4	Confident	60 Å²	60	99 Å²	99	50%	0.496	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-41.2	177.6	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.48Å; V321-A325 PolarHBondContact O-N 3.46Å; V322-A325 PolarHBondContact O-N 3.3Å; I323-A325 PolarHBondContact O-N 2.87Å; A325-A328 PolarHBondContact O-N 3.21Å; A325-A329 WeakPolarHBondContact O-CB 3.33Å; A325-A329 PolarHBondContact O-N 2.98Å
326	V	84.2	Confident	77.9	Confident	84 Å²	84	98.4 Å²	98.4	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-64.8	-45.4	176.6	171.7	0	0	0	0	110.9	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.49Å; V322-V326 PolarHBondContact O-N 2.99Å; I323-V326 PolarHBondContact O-N 2.66Å; V326-A328 PolarHBondContact O-N 3.42Å; V326-A329 PolarHBondContact O-N 3.38Å; V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.19Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.26Å; V326-V330 PolarHBondContact O-N 3.41Å
327	V	82.1	Confident	76.2	Confident	74 Å²	74	103.4 Å²	103.4	45%	0.448	60%	0.595	S	S	.	*	H	α-helix	trans	-61.6	-45	177.4	172.4	0	0	0	0	110.8	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.41Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.27Å; I323-V327 PolarHBondContact O-N 3Å; G324-V327 PolarHBondContact O-N 2.97Å; V327-A329 PolarHBondContact O-N 2.74Å; V327-V330 PolarHBondContact O-N 2.87Å; V327-M331 HydrophobicContact CG1-CG 4.42Å; V327-M331 HydrophobicContact CG1-SD 4.11Å; V327-M331 WeakPolarHBondContact O-CB 3.18Å; V327-M331 WeakPolarHBondContact O-CG 3.31Å; V327-M331 PolarHBondContact O-N 3.23Å
328	A	78.1	Confident	75.7	Confident	51 Å²	51	103.7 Å²	103.7	42%	0.421	60%	0.595	S	S	.	*	H	α-helix	trans	-60.8	-44.5	176.4	0	0	0	0	0	112	G324 A325 V326 V330 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.29Å; G324-A328 PolarHBondContact O-N 3.26Å; A325-A328 PolarHBondContact O-N 3.21Å; V326-A328 PolarHBondContact O-N 3.42Å; A328-V330 PolarHBondContact O-N 2.88Å; A328-M331 PolarHBondContact O-N 3.18Å; A328-C332 WeakPolarHBondContact O-CB 3.44Å; A328-C332 PolarHBondContact O-N 2.7Å; A328-C332 PolarHBondContact O-SG 3.37Å
329	A	77.4	Confident	75.1	Confident	55 Å²	55	103.4 Å²	103.4	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-63.2	-41	177.1	0	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.33Å; A325-A329 PolarHBondContact O-N 2.98Å; V326-A329 PolarHBondContact O-N 3.38Å; V327-A329 PolarHBondContact O-N 2.74Å; A329-C332 PolarHBondContact O-N 3Å; A329-R333 PolarHBondContact O-N 2.73Å
330	V	75.6	Confident	74.4	Confident	79 Å²	79	106.4 Å²	106.4	48%	0.479	61%	0.607	S	S	.	*	H	α-helix	trans	-66	-41.4	176	170.7	0	0	0	0	111.2	V326 V327 A328 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.19Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.26Å; V326-V330 PolarHBondContact O-N 3.41Å; V327-V330 PolarHBondContact O-N 2.87Å; A328-V330 PolarHBondContact O-N 2.88Å; V330-R333 PolarHBondContact O-N 2.89Å; V330-R334 PolarHBondContact O-N 3.19Å
331	M	74.2	Confident	73.7	Confident	128 Å²	128	106.6 Å²	106.6	63%	0.631	61%	0.605	S	S	*	*	H	α-helix	trans	-65.7	-41.4	176.1	-73.5	-175.8	68.9	0	0	112.2	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.42Å; V327-M331 HydrophobicContact CG1-SD 4.11Å; V327-M331 WeakPolarHBondContact O-CB 3.18Å; V327-M331 WeakPolarHBondContact O-CG 3.31Å; V327-M331 PolarHBondContact O-N 3.23Å; A328-M331 PolarHBondContact O-N 3.18Å; M331-R334 PolarHBondContact O-N 2.75Å; M331-K335 PolarHBondContact O-N 2.71Å; M331-K335 VanDerWaalsContact O-N 3.13Å
332	C	69.8	Low	72.8	Confident	89 Å²	89	107.4 Å²	107.4	60%	0.601	61%	0.608	S	S	*	*	H	α-helix	trans	-62.1	-41.1	174.1	-77.6	0	0	0	0	111.9	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.44Å; A328-C332 PolarHBondContact O-N 2.7Å; A328-C332 PolarHBondContact O-SG 3.37Å; A329-C332 PolarHBondContact O-N 3Å; C332-K335 PolarHBondContact O-N 3.17Å; C332-S336 PolarHBondContact O-N 3.07Å; C332-S336 PolarHBondContact O-OG 3.17Å
333	R	65.8	Low	71.9	Confident	205 Å²	205	109.3 Å²	109.3	77%	0.774	62%	0.617	S	S	*	*	H	α-helix	trans	-66.8	-35.8	175	-80.6	-172	169.3	-177.2	-1.9	113.4	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 2.73Å; V330-R333 PolarHBondContact O-N 2.89Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.3Å; R333-S336 PolarHBondContact O-N 2.88Å; R333-S336 PolarHBondContact O-OG 3.29Å
334	R	59.6	Low	70.9	Confident	211 Å²	211	109.3 Å²	109.3	80%	0.796	62%	0.62	S	S	*	*	H	α-helix	trans	-70.4	-23	175.1	-98.8	-175	167.6	-179	-2.7	114	V330 M331	V330-R334 PolarHBondContact O-N 3.19Å; M331-R334 PolarHBondContact O-N 2.75Å
335	K	55.1	Low	69.9	Low	195 Å²	195	114.5 Å²	114.5	85%	0.848	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-6.2	179.8	-141.5	175.9	-173.9	-178.6	0	113.3	M331 C332 R333	M331-K335 PolarHBondContact O-N 2.71Å; M331-K335 VanDerWaalsContact O-N 3.13Å; C332-K335 PolarHBondContact O-N 3.17Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.3Å
336	S	53.5	Low	68.8	Low	99 Å²	99	119.1 Å²	119.1	69%	0.692	65%	0.647	S	S	*	*			trans	-114.2	11.5	-179.2	40.6	0	0	0	0	113.3	C332 R333	C332-S336 PolarHBondContact O-N 3.07Å; C332-S336 PolarHBondContact O-OG 3.17Å; R333-S336 PolarHBondContact O-N 2.88Å; R333-S336 PolarHBondContact O-OG 3.29Å
337	S	49.9	Very low	67.4	Low	159 Å²	159	122.3 Å²	122.3	100%	1.112	66%	0.66	S	S	*	*			trans	-117.2	0	166.9	-176.3	0	0	0	0	110

Retrieved 337 of 337 residues in 243 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).