A0A060VHI0_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VHI0, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	42.6	Very low	241 Å²	241	145.3 Å²	145.3	100%	1.187	74%	0.743	S	S	*	*				0	136	0	-70.5	140.4	158.9	0	0	108.7
2	R	34	Very low	42.8	Very low	252 Å²	252	144 Å²	144	95%	0.951	74%	0.737	S	S	*	*			trans	-112.3	116.4	163	-89.1	-177.3	169.9	166.4	-3.3	106.9	M4	R2-M4 PolarHBondContact O-N 3.48Å
3	V	37.4	Very low	42.6	Very low	145 Å²	145	141.4 Å²	141.4	88%	0.879	73%	0.725	S	S	*	*			trans	-77.7	107.6	173.5	179.8	0	0	0	0	107.2	A5	V3-A5 PolarHBondContact O-N 3.28Å
4	M	40	Very low	42.4	Very low	178 Å²	178	136 Å²	136	88%	0.877	71%	0.706	S	S	*	*			trans	-84.9	97	177.6	-171.6	166.5	68.8	0	0	108.6	R2	R2-M4 PolarHBondContact O-N 3.48Å
5	A	44.4	Very low	42.3	Very low	66 Å²	66	129.2 Å²	129.2	55%	0.545	68%	0.682	S	S	.	*			trans	-58.1	138.8	176.8	0	0	0	0	0	110.6	V3 R7	V3-A5 PolarHBondContact O-N 3.28Å; A5-R7 PolarHBondContact O-N 2.64Å
6	P	47.4	Very low	41.9	Very low	84 Å²	84	123.4 Å²	123.4	55%	0.545	66%	0.663	S	S	.	*			trans	-65	128.4	-177.8	-19.7	32	0	0	0	111.3	A8 L9	P6-A8 PolarHBondContact O-N 3.37Å; P6-A8 VanDerWaalsContact O-N 3.1Å; P6-L9 WeakPolarHBondContact O-CB 3.43Å; P6-L9 PolarHBondContact O-N 2.9Å
7	R	49.4	Very low	41.5	Very low	220 Å²	220	123.1 Å²	123.1	83%	0.83	66%	0.66	S	S	*	*	H	α-helix	trans	-55.1	-28.7	174.9	-91.7	179.4	163	169.7	-7.2	113.3	A5 L9 L10 L11	A5-R7 PolarHBondContact O-N 2.64Å; R7-L9 VanDerWaalsContact C-N 3.31Å; R7-L9 PolarHBondContact O-N 3.15Å; R7-L10 PolarHBondContact O-N 3.18Å; R7-L11 PolarHBondContact O-N 2.84Å
8	A	48.1	Very low	41.3	Very low	65 Å²	65	119.7 Å²	119.7	54%	0.537	65%	0.652	S	S	.	*	H	α-helix	trans	-62	-34.2	174.6	0	0	0	0	0	113.5	P6 L10 L11 L12	P6-A8 PolarHBondContact O-N 3.37Å; P6-A8 VanDerWaalsContact O-N 3.1Å; A8-L10 VanDerWaalsContact C-N 3.35Å; A8-L10 PolarHBondContact O-N 3.3Å; A8-L11 PolarHBondContact O-N 3.02Å; A8-L12 PolarHBondContact O-N 3.42Å
9	L	43.3	Very low	41.1	Very low	107 Å²	107	119.1 Å²	119.1	56%	0.56	65%	0.648	S	S	*	*	H	α-helix	trans	-70.5	-33.7	-177.8	-142.7	79.7	0	0	0	112	P6 R7 L13	P6-L9 WeakPolarHBondContact O-CB 3.43Å; P6-L9 PolarHBondContact O-N 2.9Å; R7-L9 VanDerWaalsContact C-N 3.31Å; R7-L9 PolarHBondContact O-N 3.15Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.1Å
10	L	43.3	Very low	40.9	Very low	115 Å²	115	117.8 Å²	117.8	60%	0.602	64%	0.644	S	S	*	*	H	α-helix	trans	-69.7	-37.1	175.9	-82.8	156.3	0	0	0	112.3	R7 A8 L13 S14	R7-L10 PolarHBondContact O-N 3.18Å; A8-L10 VanDerWaalsContact C-N 3.35Å; A8-L10 PolarHBondContact O-N 3.3Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-S14 PolarHBondContact O-N 3.35Å; L10-S14 VanDerWaalsContact O-N 3.07Å; L10-S14 PolarHBondContact O-OG 3.44Å
11	L	48.5	Very low	40.7	Very low	125 Å²	125	119.8 Å²	119.8	65%	0.654	65%	0.649	S	S	*	*	H	α-helix	trans	-67.5	-40	178.3	-73.4	168.3	0	0	0	112.3	R7 A8 L13 S14 G15	R7-L11 PolarHBondContact O-N 2.84Å; A8-L11 PolarHBondContact O-N 3.02Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.27Å; L11-S14 WeakPolarHBondContact CA-OG 3.45Å; L11-S14 PolarHBondContact O-N 3.44Å; L11-S14 PolarHBondContact O-OG 2.86Å; L11-G15 PolarHBondContact O-N 2.95Å
12	L	45.2	Very low	41.1	Very low	130 Å²	130	113.3 Å²	113.3	68%	0.681	62%	0.623	S	S	*	*	H	α-helix	trans	-62.1	-40.1	174.2	-72.9	165.6	0	0	0	112	A8 G15 G16	A8-L12 PolarHBondContact O-N 3.42Å; L12-G15 PolarHBondContact O-N 3.1Å; L12-G16 PolarHBondContact O-N 3.45Å; L12-G16 VanDerWaalsContact O-N 3.09Å
13	L	39.3	Very low	42	Very low	110 Å²	110	105.4 Å²	105.4	58%	0.576	59%	0.593	S	S	*	*	H	α-helix	trans	-67.4	-37.8	176.4	-72.8	166.3	0	0	0	112.7	L9 L10 L11 L17	L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 3.43Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.14Å; L13-L17 PolarHBondContact O-N 2.99Å
14	S	41	Very low	42.7	Very low	66 Å²	66	100.9 Å²	100.9	46%	0.462	57%	0.571	S	S	.	*	H	α-helix	trans	-68.6	-33.4	173.8	47.4	0	0	0	0	113.4	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.35Å; L10-S14 VanDerWaalsContact O-N 3.07Å; L10-S14 PolarHBondContact O-OG 3.44Å; L11-S14 WeakPolarHBondContact CA-OG 3.45Å; L11-S14 PolarHBondContact O-N 3.44Å; L11-S14 PolarHBondContact O-OG 2.86Å; S14-A18 PolarHBondContact O-N 3.39Å
15	G	39.9	Very low	44.3	Very low	34 Å²	34	95.5 Å²	95.5	35%	0.351	55%	0.55	S	S	.	*	H	α-helix	trans	-66.6	-45.7	174.8	0	0	0	0	0	112.2	L11 L12 L17 A18 L19	L11-G15 PolarHBondContact O-N 2.95Å; L12-G15 PolarHBondContact O-N 3.1Å; G15-L17 PolarHBondContact O-N 2.97Å; G15-A18 PolarHBondContact O-N 2.89Å; G15-L19 PolarHBondContact O-N 2.9Å
16	G	35.9	Very low	46.5	Very low	36 Å²	36	95.8 Å²	95.8	37%	0.371	55%	0.548	S	S	.	.	H	α-helix	trans	-62.2	-40.4	177.7	0	0	0	0	0	113.6	L12 L19 T20	L12-G16 PolarHBondContact O-N 3.45Å; L12-G16 VanDerWaalsContact O-N 3.09Å; G16-L19 PolarHBondContact O-N 3.23Å; G16-T20 PolarHBondContact O-N 3.15Å; G16-T20 PolarHBondContact O-OG1 3.38Å
17	L	35.4	Very low	48.8	Very low	118 Å²	118	93.4 Å²	93.4	62%	0.618	53%	0.53	S	S	*	.	H	α-helix	trans	-65.3	-44	178.5	-76.2	166.1	0	0	0	112.4	L13 G15 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CG 3.14Å; L13-L17 PolarHBondContact O-N 2.99Å; G15-L17 PolarHBondContact O-N 2.97Å; L17-L19 VanDerWaalsContact C-N 3.25Å; L17-L19 PolarHBondContact O-N 2.94Å; L17-T20 PolarHBondContact O-N 2.85Å; L17-T20 VanDerWaalsContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 3.16Å; L17-E21 PolarHBondContact O-N 3.08Å
18	A	37.4	Very low	51.1	Low	62 Å²	62	84.1 Å²	84.1	51%	0.512	50%	0.498	S	S	.	.	H	α-helix	trans	-64	-28.5	177.5	0	0	0	0	0	113.3	S14 G15 T20	S14-A18 PolarHBondContact O-N 3.39Å; G15-A18 PolarHBondContact O-N 2.89Å; A18-T20 VanDerWaalsContact C-N 3.34Å
19	L	38.1	Very low	53.5	Low	108 Å²	108	81 Å²	81	57%	0.565	47%	0.473	S	S	*	.	H	α-helix	trans	-78.8	-13.2	176.3	-77.3	165.3	0	0	0	114	G15 G16 L17	G15-L19 PolarHBondContact O-N 2.9Å; G16-L19 PolarHBondContact O-N 3.23Å; L17-L19 VanDerWaalsContact C-N 3.25Å; L17-L19 PolarHBondContact O-N 2.94Å
20	T	36	Very low	56.1	Low	94 Å²	94	78.2 Å²	78.2	58%	0.577	46%	0.455	S	S	*	.	H	α-helix	trans	-100.8	-19.1	-178.7	50.5	0	0	0	0	115	G16 L17 A18	G16-T20 PolarHBondContact O-N 3.15Å; G16-T20 PolarHBondContact O-OG1 3.38Å; L17-T20 PolarHBondContact O-N 2.85Å; L17-T20 VanDerWaalsContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 3.16Å; A18-T20 VanDerWaalsContact C-N 3.34Å
21	E	37.3	Very low	58.7	Low	160 Å²	160	73.8 Å²	73.8	75%	0.748	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-76	-23.2	177.1	-77.4	-172.2	135.4	0	0	113.3	L17 W23	L17-E21 PolarHBondContact O-N 3.08Å; E21-W23 PolarHBondContact O-N 2.95Å
22	T	42.8	Very low	61.1	Low	105 Å²	105	72 Å²	72	64%	0.644	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-75.9	-2.6	-175.4	44.7	0	0	0	0	115.3
23	W	51.3	Low	63.7	Low	85 Å²	85	66.1 Å²	66.1	32%	0.322	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-120	14.1	-176	-65.7	69.6	0	0	0	112.9	E21 C25 H287 E288 L290	E21-W23 PolarHBondContact O-N 2.95Å; W23-C25 PolarHBondContact O-N 3.26Å; W23-H287 WeakPolarHBondContact CH2-O 3.23Å; W23-H287 WeakPolarHBondContact CZ3-O 3.38Å; W23-E288 HydrophobicContact CD2-CB 4.31Å; W23-E288 HydrophobicContact CE3-CB 3.63Å; W23-E288 HydrophobicContact CE3-CG 4.04Å; W23-E288 HydrophobicContact CH2-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CB 3.64Å; W23-E288 HydrophobicContact CZ3-CG 4.36Å; W23-E288 WeakPolarHBondContact CZ3-O 3.44Å; W23-L290 HydrophobicContact CH2-CB 4.37Å; W23-L290 WeakPolarHBondContact CH2-O 3.43Å; W23-L290 WeakPolarHBondContact CZ3-O 3.37Å
24	A	53.5	Low	66.5	Low	51 Å²	51	62.8 Å²	62.8	42%	0.421	37%	0.371	S	S	.	.	S	Bend	trans	-84.2	93.9	174.8	0	0	0	0	0	108.4	S26 P129	A24-S26 PolarHBondContact O-N 3.16Å; A24-P129 HydrophobicContact CB-CB 4.48Å; A24-P129 HydrophobicContact CB-CG 3.5Å; A24-P129 VanDerWaalsContact CB-CG 3.5Å
25	C	72.4	Confident	69.3	Low	64 Å²	64	59.7 Å²	59.7	43%	0.432	35%	0.35	S	S	.	.			trans	-44.5	106.1	-169.4	-55.8	0	0	0	0	113.1	W23 E288	W23-C25 PolarHBondContact O-N 3.26Å; C25-E288 PolarHBondContact SG-OE1 2.61Å
26	S	90.7	Very high	72.1	Confident	72 Å²	72	60.4 Å²	60.4	50%	0.503	35%	0.347	S	S	.	.			trans	-103.8	135.1	174.2	59.9	0	0	0	0	109.4	A24 L127	A24-S26 PolarHBondContact O-N 3.16Å; S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.32Å; S26-L127 WeakPolarHBondContact CB-O 3.32Å
27	H	95.4	Very high	75	Confident	35 Å²	35	59.6 Å²	59.6	16%	0.162	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.2	-178.4	-69.1	-72.6	0	0	0	111.4	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.33Å; H27-D53 IonicContact CE1-OD2 3.37Å; H27-D53 IonicContact CG-OD2 3.54Å; H27-D53 IonicContact ND1-OD2 2.84Å; H27-D53 PolarHBondContact ND1-OD2 2.78Å; H27-D126 CarbonylContact O-C 3.41Å; H27-D126 WeakPolarHBondContact O-CA 3.49Å; H27-L127 PolarHBondContact N-O 2.84Å; H27-L127 PolarHBondContact O-N 2.89Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.6Å; H27-L196 HydrophobicContact CB-CD2 3.89Å; H27-L196 HydrophobicContact CB-CG 4.34Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å
28	S	97.4	Very high	77.9	Confident	24 Å²	24	57.5 Å²	57.5	17%	0.168	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.1	-173.1	64.6	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.46Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 3.42Å; S28-D53 PolarHBondContact OG-OD1 3.02Å; S28-C125 CarbonylContact C-O 3.56Å; S28-C125 WeakPolarHBondContact CA-O 3.48Å; S28-D126 VanDerWaalsContact CB-OD1 3.25Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å
29	M	98.6	Very high	80.5	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.8	168.3	-178.8	174.4	62	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.35Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; M29-Y51 WeakPolarHBondContact CA-O 3.41Å; M29-V52 HydrophobicContact CB-CG2 4.46Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; M29-F57 HydrophobicContact CG-CE1 4.34Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.13Å; M29-C125 PolarHBondContact N-O 3.37Å; M29-C125 PolarHBondContact O-N 3.28Å; M29-C188 HydrophobicContact CE-CB 4.14Å; M29-C188 VanDerWaalsContact CE-O 3.22Å; M29-C188 WeakPolarHBondContact CE-O 3.29Å; M29-C188 WeakPolarHBondContact CE-SG 3.38Å; M29-W191 HydrophobicContact CE-CB 4.19Å; M29-W191 HydrophobicContact SD-CB 4.44Å; M29-L192 HydrophobicContact CB-CB 3.97Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.9Å; M29-L192 HydrophobicContact CB-CG 4.18Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.42Å; M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.49Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.35Å
30	R	98.5	Very high	83.1	Confident	48 Å²	48	56 Å²	56	18%	0.181	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.9	-173.9	-52.9	-61.1	-171.4	75.4	2.5	110.2	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-Y51 PolarHBondContact N-O 2.88Å; R30-Y51 PolarHBondContact O-N 2.8Å; R30-D126 IonicContact CZ-OD1 3.47Å; R30-D126 IonicContact CZ-OD2 2.96Å; R30-D126 IonicContact NE-OD1 3.49Å; R30-D126 PolarHBondContact NE-OD1 3.49Å; R30-D126 IonicContact NH2-OD1 3.48Å; R30-D126 PolarHBondContact NH2-OD1 3.31Å; R30-D126 IonicContact NH2-OD2 3.7Å; R30-D126 PolarHBondContact NH2-OD2 2.96Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.36Å
31	Y	98.6	Very high	85.8	Confident	21 Å²	21	61.4 Å²	61.4	8%	0.082	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.1	169.7	-73	-97.5	0	0	0	109.2	M29 V49 F57 V58 M122 S123	M29-Y31 HydrophobicContact CE-CE2 4.35Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; Y31-V49 WeakPolarHBondContact CA-O 3.47Å; Y31-F57 HydrophobicContact CE1-CZ 4.31Å; Y31-F57 HydrophobicContact CE2-CZ 4.35Å; Y31-F57 AromaticContact CZ-CZ 3.81Å; Y31-V58 HydrophobicContact CE1-CG1 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.45Å; Y31-S123 PolarHBondContact N-O 3.42Å; Y31-S123 PolarHBondContact O-N 2.94Å
32	F	98.8	Very high	88.4	Confident	87 Å²	87	56.6 Å²	56.6	38%	0.382	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	107.4	176.6	-57	-94.8	0	0	0	109.1	R30 S48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-S48 WeakPolarHBondContact O-CA 3.42Å; F32-V49 HydrophobicContact CB-CG2 3.92Å; F32-V49 HydrophobicContact CD2-CG2 4.41Å; F32-V49 PolarHBondContact N-O 2.83Å; F32-V49 PolarHBondContact O-N 2.79Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.22Å; F32-R121 WeakPolarHBondContact CA-O 3.48Å; F32-M122 HydrophobicContact CD1-CB 4.09Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.26Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 4.07Å
33	D	98.8	Very high	90.9	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.2	173.6	-61.8	-41.7	0	0	0	109.8	F46 S48 Q120 R121	D33-F46 HydrophobicContact CB-CE2 3.89Å; D33-F46 HydrophobicContact CB-CZ 4.21Å; D33-F46 WeakPolarHBondContact OD1-CZ 3.43Å; D33-S48 VanDerWaalsContact OD1-CB 3.22Å; D33-S48 WeakPolarHBondContact OD1-CB 3.37Å; D33-S48 PolarHBondContact OD1-OG 3.24Å; D33-Q120 WeakPolarHBondContact O-CA 2.97Å; D33-R121 HydrophobicContact CB-CB 4.22Å; D33-R121 PolarHBondContact N-O 2.73Å; D33-R121 PolarHBondContact O-N 3.24Å; D33-R121 IonicContact OD2-CZ 2.81Å; D33-R121 IonicContact OD2-NH1 3.6Å; D33-R121 PolarHBondContact OD2-NH1 2.73Å
34	T	98.9	Very high	93.1	Very high	40 Å²	40	53.7 Å²	53.7	25%	0.245	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	117.6	174.9	-64.1	0	0	0	0	110.6	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.07Å; T34-F46 WeakPolarHBondContact O-CA 3.43Å; T34-I47 PolarHBondContact N-O 3.49Å; T34-I47 PolarHBondContact O-N 3.37Å; T34-T118 HydrophobicContact CG2-CG2 4.35Å; T34-L119 WeakPolarHBondContact CA-O 3.42Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å
35	A	98.8	Very high	95.2	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.1	177.4	0	0	0	0	0	110.7	R45 F46 D98 L102 L119	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.32Å; A35-R45 WeakPolarHBondContact CA-O 3.18Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; A35-D98 HydrophobicContact CB-CB 3.65Å; A35-L102 HydrophobicContact CB-CD1 3.9Å; A35-L119 PolarHBondContact N-O 3.49Å; A35-L119 PolarHBondContact O-N 3.44Å
36	V	98.6	Very high	96.5	Very high	49 Å²	49	52.6 Å²	52.6	30%	0.297	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.4	-178.5	-173.4	0	0	0	0	109.9	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.07Å; V36-P44 CarbonylContact O-C 3.59Å; V36-P44 WeakPolarHBondContact O-CA 3.47Å; V36-P44 WeakPolarHBondContact O-CB 3.14Å; V36-R45 PolarHBondContact N-O 3.37Å; V36-R45 PolarHBondContact O-N 3.09Å; V36-H117 CarbonylContact C-O 3.57Å; V36-H117 WeakPolarHBondContact CA-O 3.34Å; V36-T118 HydrophobicContact CG2-CG2 4.31Å
37	S	98	Very high	96.8	Very high	18 Å²	18	51.6 Å²	51.6	13%	0.126	28%	0.28	C	S	.	.			trans	-68.3	148.1	173.3	77.1	0	0	0	0	110.9	G115 S116 H117	S37-G115 PolarHBondContact OG-O 3.34Å; S37-S116 PolarHBondContact O-OG 3.04Å; S37-S116 VanDerWaalsContact O-OG 3.12Å; S37-H117 PolarHBondContact N-O 2.91Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.07Å
38	R	96.1	Very high	97	Very high	75 Å²	75	50 Å²	50	28%	0.283	27%	0.273	S	S	.	.			trans	-140.5	76.1	179.5	53	173.1	170.6	-154.5	-17.5	111.6	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.98Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.46Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 2.82Å; R38-R41 WeakPolarHBondContact O-CA 3.29Å; R38-R41 PolarHBondContact O-N 2.81Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.2Å; R38-E43 PolarHBondContact NH2-O 2.83Å; R38-D63 IonicContact CZ-OD1 2.76Å; R38-D63 IonicContact CZ-OD2 2.72Å; R38-D63 IonicContact NH1-OD1 2.8Å; R38-D63 PolarHBondContact NH1-OD1 2.83Å; R38-D63 IonicContact NH1-OD2 2.9Å; R38-D63 PolarHBondContact NH1-OD2 3.35Å; R38-D63 IonicContact NH2-OD1 3.51Å; R38-D63 PolarHBondContact NH2-OD1 2.83Å; R38-D63 IonicContact NH2-OD2 3.81Å
39	P	92.8	Very high	97.1	Very high	49 Å²	49	50.3 Å²	50.3	32%	0.318	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	135.6	-179.1	-29.5	37.6	0	0	0	112.9	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.29Å; P39-R41 VanDerWaalsContact O-N 3.13Å; P39-E113 WeakPolarHBondContact CB-O 3.44Å; P39-E113 WeakPolarHBondContact CG-O 3.07Å; P39-G115 VanDerWaalsContact CG-O 3.23Å; P39-G115 WeakPolarHBondContact CG-O 3.06Å
40	G	91.3	Very high	97.1	Very high	90 Å²	90	50.2 Å²	50.2	93%	0.928	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	-0.5	-175.6	0	0	0	0	0	116.3	R38	R38-G40 PolarHBondContact O-N 2.98Å
41	R	93.2	Very high	97.1	Very high	207 Å²	207	51.4 Å²	51.4	78%	0.781	28%	0.278	S	S	*	.	S	Bend	trans	-122.9	22.9	-175.8	-56.7	-176.5	-176.8	-169.3	1.3	113.9	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.46Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 2.82Å; R38-R41 WeakPolarHBondContact O-CA 3.29Å; R38-R41 PolarHBondContact O-N 2.81Å; P39-R41 PolarHBondContact O-N 3.29Å; P39-R41 VanDerWaalsContact O-N 3.13Å
42	G	91.9	Very high	97.1	Very high	59 Å²	59	50.4 Å²	50.4	61%	0.608	27%	0.274	S	S	*	.	S	Bend	trans	93.5	-163.1	179.3	0	0	0	0	0	113.7
43	E	94.8	Very high	96.9	Very high	101 Å²	101	47.8 Å²	47.8	47%	0.472	26%	0.264	S	S	.	.	S	Bend	trans	-71.1	153.9	-175.9	-61.4	-58.6	168.6	0	0	112.7	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.2Å; R38-E43 PolarHBondContact NH2-O 2.83Å; E43-R45 PolarHBondContact O-N 2.85Å; E43-R99 VanDerWaalsContact CD-CZ 3.47Å; E43-R99 VanDerWaalsContact CD-NE 3.33Å; E43-R99 IonicContact OE1-CZ 3.14Å; E43-R99 IonicContact OE1-NE 2.97Å; E43-R99 IonicContact OE1-NH2 2.69Å; E43-R99 PolarHBondContact OE1-NH2 3.37Å; E43-R99 IonicContact OE2-CZ 3.07Å; E43-R99 VanDerWaalsContact OE2-CZ 3.24Å; E43-R99 IonicContact OE2-NE 3.83Å; E43-R99 PolarHBondContact OE2-NE 2.87Å; E43-R99 IonicContact OE2-NH2 3.3Å; E43-R99 PolarHBondContact OE2-NH2 3.27Å; E43-R99 VanDerWaalsContact OE2-NH2 3.14Å
44	P	97.3	Very high	96.8	Very high	27 Å²	27	50.3 Å²	50.3	18%	0.175	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-50.2	134.4	175.7	-26.6	35	0	0	0	112.2	V36 R99 L102	V36-P44 CarbonylContact O-C 3.59Å; V36-P44 WeakPolarHBondContact O-CA 3.47Å; V36-P44 WeakPolarHBondContact O-CB 3.14Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.2Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.87Å
45	R	98.4	Very high	96.7	Very high	89 Å²	89	49.8 Å²	49.8	34%	0.336	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.1	173.2	-178	-179.5	-175.1	-176.7	-0.4	108.4	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.32Å; A35-R45 WeakPolarHBondContact CA-O 3.18Å; V36-R45 PolarHBondContact N-O 3.37Å; V36-R45 PolarHBondContact O-N 3.09Å; E43-R45 PolarHBondContact O-N 2.85Å; R45-I47 HydrophobicContact CG-CG1 4.34Å; R45-D61 IonicContact CZ-OD1 3.74Å; R45-D61 IonicContact CZ-OD2 2.68Å; R45-D61 IonicContact NE-OD1 2.68Å; R45-D61 PolarHBondContact NE-OD1 2.03Å; R45-D61 IonicContact NE-OD2 3.49Å; R45-D61 VanDerWaalsContact NH2-CG 3.3Å; R45-D61 IonicContact NH2-OD1 3.14Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 VanDerWaalsContact NH2-OD1 3.1Å; R45-D61 IonicContact NH2-OD2 3.24Å; R45-D61 PolarHBondContact NH2-OD2 3.17Å; R45-S62 WeakPolarHBondContact CA-OG 3.38Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 3.22Å
46	F	98.8	Very high	96.7	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.5	174.7	173.7	-89.7	0	0	0	109.7	D33 T34 A35 F60 S62 H91 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.89Å; D33-F46 HydrophobicContact CB-CZ 4.21Å; D33-F46 WeakPolarHBondContact OD1-CZ 3.43Å; T34-F46 WeakPolarHBondContact O-CA 3.43Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 3.83Å; F46-F60 HydrophobicContact CE1-CD1 3.83Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; F46-S62 PolarHBondContact N-OG 3.09Å; F46-S62 WeakPolarHBondContact O-CB 3.48Å; F46-S62 PolarHBondContact O-N 3.15Å; F46-S62 PolarHBondContact O-OG 3.16Å; F46-H91 HydrophobicContact CE1-CB 4.19Å; F46-Q94 HydrophobicContact CE2-CB 4.1Å; F46-Q94 HydrophobicContact CE2-CG 3.69Å; F46-Q94 HydrophobicContact CZ-CB 3.86Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; F46-A95 HydrophobicContact CB-CB 3.61Å; F46-A95 HydrophobicContact CD1-CB 3.69Å; F46-A95 HydrophobicContact CD2-CB 4.03Å; F46-A95 HydrophobicContact CE1-CB 4.36Å; F46-A95 HydrophobicContact CG-CB 3.5Å; F46-A95 VanDerWaalsContact CG-CB 3.5Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.35Å; F46-D98 VanDerWaalsContact CE2-OD2 3.25Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.43Å
47	I	98.8	Very high	96.6	Very high	52 Å²	52	50 Å²	50	27%	0.267	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.4	171.2	-57.6	176.4	0	0	0	107	T34 R45 V49 F60	T34-I47 PolarHBondContact N-O 3.49Å; T34-I47 PolarHBondContact O-N 3.37Å; R45-I47 HydrophobicContact CG-CG1 4.34Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.38Å
48	S	98.8	Very high	96.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.8	168.5	-171.8	0	0	0	0	109.7	F32 D33 R59 F60 H91	F32-S48 WeakPolarHBondContact O-CA 3.42Å; D33-S48 VanDerWaalsContact OD1-CB 3.22Å; D33-S48 WeakPolarHBondContact OD1-CB 3.37Å; D33-S48 PolarHBondContact OD1-OG 3.24Å; S48-R59 CarbonylContact O-C 3.55Å; S48-R59 WeakPolarHBondContact O-CA 3.49Å; S48-F60 PolarHBondContact N-O 2.74Å; S48-F60 PolarHBondContact O-N 2.82Å; S48-H91 VanDerWaalsContact CB-CD2 3.47Å; S48-H91 WeakPolarHBondContact CB-CD2 3.36Å
49	V	98.8	Very high	96.8	Very high	30 Å²	30	49.6 Å²	49.6	18%	0.182	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.9	175.8	-63.8	0	0	0	0	110	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.92Å; F32-V49 HydrophobicContact CD2-CG2 4.41Å; F32-V49 PolarHBondContact N-O 2.83Å; F32-V49 PolarHBondContact O-N 2.79Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; V49-V58 WeakPolarHBondContact CA-O 3.48Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.28Å
50	G	98.6	Very high	97	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.5	177.5	0	0	0	0	0	111	F57 V58	G50-F57 VanDerWaalsContact C-CD1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.5Å; G50-F57 PolarHBondContact O-N 2.98Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 PolarHBondContact O-N 2.93Å
51	Y	98.6	Very high	97.4	Very high	73 Å²	73	43.8 Å²	43.8	29%	0.286	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.2	-178.8	-79.2	-105.7	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.41Å; R30-Y51 PolarHBondContact N-O 2.88Å; R30-Y51 PolarHBondContact O-N 2.8Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.22Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 4.13Å; Y51-Q56 HydrophobicContact CD2-CB 4.4Å; Y51-Q56 HydrophobicContact CD2-CG 4.24Å; Y51-Q56 HydrophobicContact CE1-CB 3.7Å; Y51-Q56 HydrophobicContact CE1-CG 4.45Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.82Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å
52	V	98.3	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.1	156.4	174.6	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.46Å; M29-V52 HydrophobicContact CB-CG2 4.46Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; V52-D54 PolarHBondContact O-N 3.29Å; V52-T55 PolarHBondContact N-O 3.45Å; V52-T55 WeakPolarHBondContact O-CB 3.31Å; V52-T55 PolarHBondContact O-N 3.47Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.95Å; V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.34Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.18Å; V52-Y195 HydrophobicContact CG2-CD2 3.74Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.23Å; V52-L203 HydrophobicContact CG1-CD1 3.84Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	96.1	Very high	97.9	Very high	31 Å²	31	36.1 Å²	36.1	17%	0.166	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	-132.3	-165.9	-54.9	-46.6	0	0	0	110.7	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.33Å; H27-D53 IonicContact CE1-OD2 3.37Å; H27-D53 IonicContact CG-OD2 3.54Å; H27-D53 IonicContact ND1-OD2 2.84Å; H27-D53 PolarHBondContact ND1-OD2 2.78Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 3.42Å; S28-D53 PolarHBondContact OG-OD1 3.02Å; D53-T55 PolarHBondContact O-N 3.22Å
54	D	96	Very high	98	Very high	61 Å²	61	33 Å²	33	33%	0.326	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0.7	178.5	-67.2	-61.1	0	0	0	114.4	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.29Å; D54-Y233 HydrophobicContact CB-CE2 3.99Å; D54-P234 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 HydrophobicContact CB-CB 4.4Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.36Å; D54-A235 WeakPolarHBondContact OD2-CB 3.2Å; D54-A235 PolarHBondContact OD2-N 3.18Å; D54-F265 HydrophobicContact CB-CE2 3.68Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.9	Very high	98	Very high	30 Å²	30	37.3 Å²	37.3	18%	0.184	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.2	-174.6	-64.1	0	0	0	0	112.2	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.32Å; V52-T55 PolarHBondContact N-O 3.45Å; V52-T55 WeakPolarHBondContact O-CB 3.31Å; V52-T55 PolarHBondContact O-N 3.47Å; D53-T55 PolarHBondContact O-N 3.22Å; T55-F57 PolarHBondContact O-N 3.4Å; T55-A73 HydrophobicContact CG2-CB 4.22Å; T55-W75 HydrophobicContact CG2-CZ2 4.41Å; T55-L203 HydrophobicContact CG2-CD2 4.07Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.47Å; T55-Y233 PolarHBondContact OG1-OH 2.97Å
56	Q	97.8	Very high	97.9	Very high	53 Å²	53	37 Å²	37	25%	0.248	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125.2	171.8	-166.8	-175.4	5.4	0	0	110.9	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; Y51-Q56 HydrophobicContact CD1-CB 4.13Å; Y51-Q56 HydrophobicContact CD2-CB 4.4Å; Y51-Q56 HydrophobicContact CD2-CG 4.24Å; Y51-Q56 HydrophobicContact CE1-CB 3.7Å; Y51-Q56 HydrophobicContact CE1-CG 4.45Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.82Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Q56-V58 PolarHBondContact NE2-O 2.99Å; Q56-R72 HydrophobicContact CB-CB 4.45Å; Q56-R72 HydrophobicContact CG-CB 4.08Å; Q56-R72 HydrophobicContact CG-CG 4.32Å; Q56-R72 CarbonylContact O-C 3.38Å; Q56-R72 WeakPolarHBondContact O-CB 3.33Å
57	F	98.2	Very high	97.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-23.1	178.6	75.3	-88.9	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.34Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; Y31-F57 HydrophobicContact CE1-CZ 4.31Å; Y31-F57 HydrophobicContact CE2-CZ 4.35Å; Y31-F57 AromaticContact CZ-CZ 3.81Å; G50-F57 VanDerWaalsContact C-CD1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.5Å; G50-F57 PolarHBondContact O-N 2.98Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.95Å; T55-F57 PolarHBondContact O-N 3.4Å; F57-R72 PolarHBondContact O-N 3.47Å; F57-A73 HydrophobicContact CB-CB 4.2Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.49Å; F57-W75 VanDerWaalsContact CB-CZ2 3.49Å; F57-W75 HydrophobicContact CB-CZ3 3.86Å; F57-W75 AromaticContact CD1-CH2 3.92Å; F57-W75 HydrophobicContact CD1-CH2 3.92Å; F57-W75 HydrophobicContact CD2-CH2 4.08Å; F57-W75 HydrophobicContact CD2-CZ3 4.24Å; F57-W75 AromaticContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CH2 3.49Å; F57-W75 VanDerWaalsContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CZ2 4.24Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.49Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.22Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3Å; F57-Y195 HydrophobicContact CD2-CE2 4.35Å; F57-Y195 HydrophobicContact CE1-CE2 4.29Å; F57-Y195 HydrophobicContact CE2-CD2 4.35Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.73Å; F57-Y195 HydrophobicContact CZ-CD2 4.21Å; F57-Y195 AromaticContact CZ-CE2 3.54Å; F57-Y195 HydrophobicContact CZ-CE2 3.54Å
58	V	98.3	Very high	97.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.7	180	63.4	0	0	0	0	112.7	Y31 V49 G50 Q56 E70 W84	Y31-V58 HydrophobicContact CE1-CG1 3.98Å; V49-V58 WeakPolarHBondContact CA-O 3.48Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 PolarHBondContact O-N 2.93Å; Q56-V58 PolarHBondContact NE2-O 2.99Å; V58-E70 WeakPolarHBondContact CA-O 3.23Å; V58-W84 HydrophobicContact CG2-CZ3 4.08Å
59	R	98.4	Very high	97.6	Very high	84 Å²	84	43.3 Å²	43.3	32%	0.317	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.9	167.7	179.6	172.3	170.6	172.8	-4.7	111	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.55Å; S48-R59 WeakPolarHBondContact O-CA 3.49Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.28Å; R59-D61 IonicContact CZ-OD2 2.71Å; R59-D61 IonicContact NE-OD2 3.34Å; R59-D61 IonicContact NH2-OD2 2.68Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; R59-E70 PolarHBondContact N-O 2.89Å; R59-E70 PolarHBondContact O-N 2.82Å; R59-R72 HydrophobicContact CB-CG 4.04Å
60	F	98.8	Very high	97.5	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.3	161.2	-178.4	-83.7	0	0	0	109.3	F46 I47 S48 P67 R68 H91 K92	F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 3.83Å; F46-F60 HydrophobicContact CE1-CD1 3.83Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.38Å; S48-F60 PolarHBondContact N-O 2.74Å; S48-F60 PolarHBondContact O-N 2.82Å; F60-P67 HydrophobicContact CE1-CB 4.36Å; F60-P67 HydrophobicContact CE2-CB 3.95Å; F60-P67 HydrophobicContact CZ-CB 3.6Å; F60-R68 VanDerWaalsContact CD2-C 3.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.44Å; F60-H91 HydrophobicContact CB-CB 3.95Å; F60-H91 HydrophobicContact CD1-CB 3.86Å; F60-H91 HydrophobicContact CD2-CB 3.44Å; F60-H91 VanDerWaalsContact CD2-CB 3.44Å; F60-H91 AromaticContact CD2-CG 3.87Å; F60-H91 HydrophobicContact CE1-CB 4.2Å; F60-H91 HydrophobicContact CE2-CB 3.83Å; F60-H91 HydrophobicContact CG-CB 3.47Å; F60-H91 VanDerWaalsContact CG-CB 3.47Å; F60-H91 AromaticContact CG-CG 3.75Å; F60-H91 HydrophobicContact CZ-CB 4.19Å; F60-K92 HydrophobicContact CE2-CG 4.08Å; F60-K92 HydrophobicContact CZ-CG 3.83Å
61	D	98.6	Very high	97.5	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	121.5	176.7	-158.7	-35.6	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.74Å; R45-D61 IonicContact CZ-OD2 2.68Å; R45-D61 IonicContact NE-OD1 2.68Å; R45-D61 PolarHBondContact NE-OD1 2.03Å; R45-D61 IonicContact NE-OD2 3.49Å; R45-D61 VanDerWaalsContact NH2-CG 3.3Å; R45-D61 IonicContact NH2-OD1 3.14Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 VanDerWaalsContact NH2-OD1 3.1Å; R45-D61 IonicContact NH2-OD2 3.24Å; R45-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 IonicContact CZ-OD2 2.71Å; R59-D61 IonicContact NE-OD2 3.34Å; R59-D61 IonicContact NH2-OD2 2.68Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; D61-D63 PolarHBondContact O-N 2.82Å; D61-D63 PolarHBondContact OD1-N 3.44Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 2.84Å
62	S	98.3	Very high	97.5	Very high	35 Å²	35	48.9 Å²	48.9	25%	0.245	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.2	-177.6	66.4	0	0	0	0	113.6	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.38Å; F46-S62 PolarHBondContact N-OG 3.09Å; F46-S62 WeakPolarHBondContact O-CB 3.48Å; F46-S62 PolarHBondContact O-N 3.15Å; F46-S62 PolarHBondContact O-OG 3.16Å; S62-P67 WeakPolarHBondContact O-CG 3.41Å
63	D	97.5	Very high	97.4	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.374	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	0.7	-176.9	-72.8	14	0	0	0	112.5	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.76Å; R38-D63 IonicContact CZ-OD2 2.72Å; R38-D63 IonicContact NH1-OD1 2.8Å; R38-D63 PolarHBondContact NH1-OD1 2.83Å; R38-D63 IonicContact NH1-OD2 2.9Å; R38-D63 PolarHBondContact NH1-OD2 3.35Å; R38-D63 IonicContact NH2-OD1 3.51Å; R38-D63 PolarHBondContact NH2-OD1 2.83Å; R38-D63 IonicContact NH2-OD2 3.81Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 3.22Å; D61-D63 PolarHBondContact O-N 2.82Å; D61-D63 PolarHBondContact OD1-N 3.44Å
64	A	97.2	Very high	97.4	Very high	35 Å²	35	52.5 Å²	52.5	29%	0.289	30%	0.295	S	S	.	.	S	Bend	trans	-64.8	147	171.4	0	0	0	0	0	111	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 2.84Å; A64-S66 PolarHBondContact O-N 2.86Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 2.96Å; A64-P67 WeakPolarHBondContact O-CG 3.37Å
65	A	96.7	Very high	97.4	Very high	118 Å²	118	50.4 Å²	50.4	98%	0.975	28%	0.282	S	S	*	.	S	Bend	trans	-61.2	-20.1	-179.2	0	0	0	0	0	114.1
66	S	95.7	Very high	97.4	Very high	82 Å²	82	49 Å²	49	57%	0.573	27%	0.274	S	S	*	.	S	Bend	trans	-143.9	92.6	166.9	-174.1	0	0	0	0	108.7	A64 R68	A64-S66 PolarHBondContact O-N 2.86Å; S66-R68 PolarHBondContact O-N 2.83Å
67	P	96.9	Very high	97.3	Very high	36 Å²	36	52.4 Å²	52.4	23%	0.234	29%	0.289	C	S	.	.			trans	-65.1	117.4	-173.5	-25.1	36.2	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.36Å; F60-P67 HydrophobicContact CE2-CB 3.95Å; F60-P67 HydrophobicContact CZ-CB 3.6Å; S62-P67 WeakPolarHBondContact O-CG 3.41Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 2.96Å; A64-P67 WeakPolarHBondContact O-CG 3.37Å; P67-K92 WeakPolarHBondContact O-CE 3.47Å; P67-K92 PolarHBondContact O-NZ 2.71Å
68	R	97.6	Very high	97.1	Very high	149 Å²	149	58.4 Å²	58.4	56%	0.562	32%	0.317	S	S	*	.			trans	-149	163.9	178.6	61.6	-176.9	173.2	178.2	-0.3	109.9	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.44Å; S66-R68 PolarHBondContact O-N 2.83Å; R68-E70 HydrophobicContact CG-CG 4.28Å; R68-T88 WeakPolarHBondContact CA-OG1 3.37Å; R68-T88 HydrophobicContact CB-CG2 4.22Å
69	G	96.7	Very high	97	Very high	5 Å²	5	58.9 Å²	58.9	5%	0.052	32%	0.32	C	S	.	.			trans	-66.3	134.1	164.6	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 3.37Å
70	E	97.4	Very high	96.9	Very high	54 Å²	54	56.6 Å²	56.6	25%	0.252	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.8	179.5	-60.5	-176.9	144.1	0	0	110	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.23Å; R59-E70 PolarHBondContact N-O 2.89Å; R59-E70 PolarHBondContact O-N 2.82Å; R68-E70 HydrophobicContact CG-CG 4.28Å; E70-R72 IonicContact OE2-CZ 2.77Å; E70-R72 IonicContact OE2-NH2 3.62Å; E70-R72 PolarHBondContact OE2-NH2 3.3Å
71	P	97.9	Very high	96.8	Very high	49 Å²	49	61.1 Å²	61.1	32%	0.318	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	148.7	173.6	27.7	-34.4	0	0	0	111.5	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.93Å; P71-E77 HydrophobicContact CB-CG 3.66Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.87Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.32Å
72	R	97.4	Very high	96.8	Very high	116 Å²	116	68.5 Å²	68.5	44%	0.438	39%	0.386	S	S	.	.			trans	-132.4	-5.9	176	-59.8	-66.7	163.9	179	-4.3	113.7	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.45Å; Q56-R72 HydrophobicContact CG-CB 4.08Å; Q56-R72 HydrophobicContact CG-CG 4.32Å; Q56-R72 CarbonylContact O-C 3.38Å; Q56-R72 WeakPolarHBondContact O-CB 3.33Å; F57-R72 PolarHBondContact O-N 3.47Å; R59-R72 HydrophobicContact CB-CG 4.04Å; E70-R72 IonicContact OE2-CZ 2.77Å; E70-R72 IonicContact OE2-NH2 3.62Å; E70-R72 PolarHBondContact OE2-NH2 3.3Å
73	A	96.2	Very high	96.7	Very high	5 Å²	5	67.1 Å²	67.1	4%	0.041	38%	0.376	C	S	.	.	S	Bend	trans	-134.7	142.5	170.7	0	0	0	0	0	110.6	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.22Å; F57-A73 HydrophobicContact CB-CB 4.2Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.22Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.1Å; A73-W75 PolarHBondContact O-N 2.89Å; A73-V76 WeakPolarHBondContact O-CG1 3.19Å; A73-V76 PolarHBondContact O-N 2.99Å
74	P	96.2	Very high	96.7	Very high	103 Å²	103	65.7 Å²	65.7	67%	0.669	37%	0.365	S	S	*	.	H	α-helix	trans	-58.8	-33.7	-175.2	-27.2	35.5	0	0	0	114.6	V76 E77	P74-V76 PolarHBondContact O-N 2.71Å; P74-V76 VanDerWaalsContact O-N 3.17Å; P74-E77 WeakPolarHBondContact O-CB 3.42Å; P74-E77 PolarHBondContact O-N 3.23Å
75	W	96	Very high	96.7	Very high	17 Å²	17	69 Å²	69	6%	0.064	38%	0.378	C	S	.	.	H	α-helix	trans	-69.5	-10.3	-176.3	54.3	-108.9	0	0	0	115.1	V52 T55 F57 A73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.34Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; T55-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.49Å; F57-W75 VanDerWaalsContact CB-CZ2 3.49Å; F57-W75 HydrophobicContact CB-CZ3 3.86Å; F57-W75 AromaticContact CD1-CH2 3.92Å; F57-W75 HydrophobicContact CD1-CH2 3.92Å; F57-W75 HydrophobicContact CD2-CH2 4.08Å; F57-W75 HydrophobicContact CD2-CZ3 4.24Å; F57-W75 AromaticContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CH2 3.49Å; F57-W75 VanDerWaalsContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CZ2 4.24Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.22Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.1Å; A73-W75 PolarHBondContact O-N 2.89Å; W75-Q78 WeakPolarHBondContact O-CG 3.46Å; W75-Q78 PolarHBondContact O-NE2 2.91Å; W75-Y195 HydrophobicContact CE3-CD1 4.26Å; W75-Y195 HydrophobicContact CE3-CG 4.43Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.37Å; W75-Y195 HydrophobicContact CH2-CG 4.02Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.19Å; W75-Y195 HydrophobicContact CZ3-CE1 4.32Å; W75-Y195 AromaticContact CZ3-CG 3.5Å; W75-Y195 HydrophobicContact CZ3-CG 3.5Å; W75-N198 HydrophobicContact CB-CB 4.39Å; W75-N198 WeakPolarHBondContact CB-O 3.5Å; W75-G199 VanDerWaalsContact CB-CA 3.44Å; W75-G199 VanDerWaalsContact CG-CA 3.43Å; W75-T202 PolarHBondContact NE1-OG1 3.18Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.73Å; W75-L203 HydrophobicContact CZ2-CD2 4.01Å; W75-L203 HydrophobicContact CZ2-CG 4.27Å
76	V	97.3	Very high	96.8	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-100.1	-13.2	170.2	77.8	0	0	0	0	112.6	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.49Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.22Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3Å; P71-V76 HydrophobicContact CB-CG1 3.93Å; A73-V76 WeakPolarHBondContact O-CG1 3.19Å; A73-V76 PolarHBondContact O-N 2.99Å; P74-V76 PolarHBondContact O-N 2.71Å; P74-V76 VanDerWaalsContact O-N 3.17Å; V76-Q78 PolarHBondContact O-N 2.71Å; V76-E79 HydrophobicContact CG2-CB 4.37Å; V76-E79 HydrophobicContact CG2-CG 3.72Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.45Å; V76-E79 WeakPolarHBondContact O-CG 3.18Å; V76-E79 PolarHBondContact O-N 2.82Å; V76-Y83 HydrophobicContact CG2-CE1 3.98Å; V76-W84 HydrophobicContact CG1-CH2 3.9Å; V76-W84 HydrophobicContact CG1-CZ2 4.06Å; V76-W84 HydrophobicContact CG2-CH2 4.15Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.35Å; V76-Y195 HydrophobicContact CG2-CE1 4.22Å
77	E	95.8	Very high	96.8	Very high	124 Å²	124	64.6 Å²	64.6	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-64	-24.6	178.3	-64.2	-176.1	-173.8	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.66Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 3.42Å; P74-E77 PolarHBondContact O-N 3.23Å; E77-E79 PolarHBondContact O-N 2.92Å
78	Q	94.7	Very high	96.9	Very high	126 Å²	126	63.2 Å²	63.2	59%	0.589	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.8	172.8	65.1	178	0.5	0	0	114.6	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.46Å; W75-Q78 PolarHBondContact O-NE2 2.91Å; V76-Q78 PolarHBondContact O-N 2.71Å; Q78-N198 PolarHBondContact NE2-ND2 3.02Å; Q78-N198 PolarHBondContact NE2-OD1 3.33Å
79	E	96.6	Very high	96.9	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.056	31%	0.309	C	S	.	.	S	Bend	trans	-70.3	132.4	174.5	-68.2	-60.9	150.1	0	0	111.2	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.37Å; V76-E79 HydrophobicContact CG2-CG 3.72Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.45Å; V76-E79 WeakPolarHBondContact O-CG 3.18Å; V76-E79 PolarHBondContact O-N 2.82Å; E77-E79 PolarHBondContact O-N 2.92Å; E79-Y83 HydrophobicContact CB-CD1 3.45Å; E79-Y83 VanDerWaalsContact CB-CD1 3.45Å; E79-Y83 HydrophobicContact CB-CD2 4.4Å; E79-Y83 HydrophobicContact CB-CE1 4.01Å; E79-Y83 HydrophobicContact CB-CG 3.7Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.29Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 PolarHBondContact O-NE1 2.94Å; E79-R194 IonicContact OE1-CZ 2.78Å; E79-R194 VanDerWaalsContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 2.69Å; E79-R194 PolarHBondContact OE1-NE 2.97Å; E79-R194 IonicContact OE1-NH2 3.94Å; E79-R194 PolarHBondContact OE1-NH2 3.3Å; E79-R194 IonicContact OE2-CZ 2.81Å; E79-R194 IonicContact OE2-NE 3.14Å; E79-R194 IonicContact OE2-NH2 3.69Å; E79-R194 PolarHBondContact OE2-NH2 2.69Å; E79-N198 PolarHBondContact OE1-ND2 2.98Å; E79-N198 VanDerWaalsContact OE1-ND2 3.08Å
80	G	95.8	Very high	96.9	Very high	36 Å²	36	64.2 Å²	64.2	37%	0.371	32%	0.323	S	S	.	.			trans	-68.6	169	-172.3	0	0	0	0	0	114.8	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.35Å; G80-Y83 WeakPolarHBondContact O-CB 3.21Å; G80-Y83 PolarHBondContact O-N 3.47Å; G80-W84 PolarHBondContact O-N 3.42Å
81	P	96.8	Very high	96.9	Very high	99 Å²	99	62.1 Å²	62.1	64%	0.643	31%	0.313	S	S	*	.	H	α-helix	trans	-57.4	-35.5	-177.1	22.8	-33.6	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.91Å; P81-W84 PolarHBondContact O-N 3.43Å; P81-W84 VanDerWaalsContact O-N 3.13Å; P81-D85 PolarHBondContact O-N 2.85Å
82	E	97.3	Very high	96.9	Very high	167 Å²	167	63.8 Å²	63.8	78%	0.78	32%	0.315	S	S	*	.	H	α-helix	trans	-60	-33.4	176.7	-61.2	-175.8	177.8	0	0	113.3	G80 R86	G80-E82 PolarHBondContact O-N 3.35Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 3.3Å; E82-R86 VanDerWaalsContact O-N 3.09Å
83	Y	97.1	Very high	97	Very high	7 Å²	7	66.9 Å²	66.9	3%	0.027	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-54	172.3	166	-90.4	0	0	0	109.6	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 3.98Å; E79-Y83 HydrophobicContact CB-CD1 3.45Å; E79-Y83 VanDerWaalsContact CB-CD1 3.45Å; E79-Y83 HydrophobicContact CB-CD2 4.4Å; E79-Y83 HydrophobicContact CB-CE1 4.01Å; E79-Y83 HydrophobicContact CB-CG 3.7Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.29Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; G80-Y83 WeakPolarHBondContact O-CB 3.21Å; G80-Y83 PolarHBondContact O-N 3.47Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.91Å; Y83-D85 VanDerWaalsContact C-N 3.33Å; Y83-D85 PolarHBondContact O-N 3.48Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.33Å; Y83-R86 PolarHBondContact O-N 2.98Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 3.99Å; Y83-E87 HydrophobicContact CE1-CG 4.04Å; Y83-E87 HydrophobicContact CE2-CG 3.6Å; Y83-E87 HydrophobicContact CG-CG 4.33Å; Y83-E87 WeakPolarHBondContact O-CG 3.25Å; Y83-E87 PolarHBondContact O-N 3.32Å; Y83-W191 HydrophobicContact CD2-CE3 4.4Å; Y83-W191 AromaticContact CD2-CH2 3.66Å; Y83-W191 HydrophobicContact CD2-CH2 3.66Å; Y83-W191 HydrophobicContact CD2-CZ2 4.44Å; Y83-W191 AromaticContact CD2-CZ3 3.62Å; Y83-W191 HydrophobicContact CD2-CZ3 3.62Å; Y83-W191 HydrophobicContact CE2-CE3 4.11Å; Y83-W191 HydrophobicContact CE2-CH2 4.2Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.31Å; Y83-Y195 PolarHBondContact OH-OH 3.32Å
84	W	97.9	Very high	97.1	Very high	40 Å²	40	69.1 Å²	69.1	15%	0.152	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-36.9	-177.1	-67.4	107.8	0	0	0	113.4	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.08Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.87Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.32Å; V76-W84 HydrophobicContact CG1-CH2 3.9Å; V76-W84 HydrophobicContact CG1-CZ2 4.06Å; V76-W84 HydrophobicContact CG2-CH2 4.15Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.35Å; E79-W84 PolarHBondContact O-NE1 2.94Å; G80-W84 PolarHBondContact O-N 3.42Å; P81-W84 PolarHBondContact O-N 3.43Å; P81-W84 VanDerWaalsContact O-N 3.13Å; W84-T88 WeakPolarHBondContact O-CB 3.37Å; W84-T88 PolarHBondContact O-N 3.29Å; W84-T88 PolarHBondContact O-OG1 2.98Å
85	D	97.8	Very high	97.2	Very high	104 Å²	104	65.2 Å²	65.2	56%	0.556	31%	0.313	S	S	*	.	H	α-helix	trans	-66.1	-47.6	172.5	-82.3	-32.5	0	0	0	111.4	P81 Y83 T88 Q89	P81-D85 PolarHBondContact O-N 2.85Å; Y83-D85 VanDerWaalsContact C-N 3.33Å; Y83-D85 PolarHBondContact O-N 3.48Å; D85-T88 WeakPolarHBondContact O-CB 3.45Å; D85-T88 PolarHBondContact O-N 3.45Å; D85-Q89 VanDerWaalsContact O-CG 3.28Å; D85-Q89 WeakPolarHBondContact O-CG 3.37Å; D85-Q89 PolarHBondContact O-N 3.48Å
86	R	96.8	Very high	97.3	Very high	103 Å²	103	69 Å²	69	39%	0.389	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-45.4	179.2	-174.9	-171.5	68.4	-145.4	-1.1	112.1	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 3.3Å; E82-R86 VanDerWaalsContact O-N 3.09Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.33Å; Y83-R86 PolarHBondContact O-N 2.98Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; R86-Q89 PolarHBondContact O-N 3.37Å; R86-K90 PolarHBondContact O-N 3.42Å
87	E	96.7	Very high	97.3	Very high	4 Å²	4	71 Å²	71	2%	0.019	35%	0.349	C	S	.	.	H	α-helix	trans	-67	-39.4	176.1	-57.5	-41.9	118.1	0	0	111	Y83 Q89 K90 H91	Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 3.99Å; Y83-E87 HydrophobicContact CE1-CG 4.04Å; Y83-E87 HydrophobicContact CE2-CG 3.6Å; Y83-E87 HydrophobicContact CG-CG 4.33Å; Y83-E87 WeakPolarHBondContact O-CG 3.25Å; Y83-E87 PolarHBondContact O-N 3.32Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.92Å; E87-K90 WeakPolarHBondContact O-CB 3.38Å; E87-K90 PolarHBondContact O-N 3.32Å; E87-K90 IonicContact OE1-NZ 3.43Å; E87-K90 PolarHBondContact OE1-NZ 3.32Å; E87-K90 WeakPolarHBondContact OE2-CD 3.38Å; E87-K90 WeakPolarHBondContact OE2-CE 3.3Å; E87-K90 IonicContact OE2-NZ 3.85Å; E87-K90 PolarHBondContact OE2-NZ 3.44Å; E87-H91 PolarHBondContact O-N 2.88Å; E87-H91 PolarHBondContact O-ND1 2.94Å
88	T	98.2	Very high	97.4	Very high	8 Å²	8	65.5 Å²	65.5	5%	0.049	32%	0.323	C	S	.	.	H	α-helix	trans	-57.6	-41.2	171.5	-67.1	0	0	0	0	112.3	R68 G69 W84 D85 K92	R68-T88 WeakPolarHBondContact CA-OG1 3.37Å; R68-T88 HydrophobicContact CB-CG2 4.22Å; G69-T88 PolarHBondContact N-OG1 3.37Å; W84-T88 WeakPolarHBondContact O-CB 3.37Å; W84-T88 PolarHBondContact O-N 3.29Å; W84-T88 PolarHBondContact O-OG1 2.98Å; D85-T88 WeakPolarHBondContact O-CB 3.45Å; D85-T88 PolarHBondContact O-N 3.45Å; T88-K92 HydrophobicContact CG2-CD 3.97Å; T88-K92 WeakPolarHBondContact O-CB 3.33Å; T88-K92 WeakPolarHBondContact O-CG 3.3Å; T88-K92 PolarHBondContact O-N 3.5Å; T88-K92 VanDerWaalsContact O-N 3.09Å
89	Q	98.1	Very high	97.5	Very high	94 Å²	94	62.8 Å²	62.8	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-72.2	-33.8	177.7	-67.1	-62.8	-22.2	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.28Å; D85-Q89 WeakPolarHBondContact O-CG 3.37Å; D85-Q89 PolarHBondContact O-N 3.48Å; R86-Q89 PolarHBondContact O-N 3.37Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.92Å; Q89-R93 WeakPolarHBondContact O-CD 3.34Å; Q89-R93 VanDerWaalsContact O-CG 3.22Å; Q89-R93 WeakPolarHBondContact O-CG 3.37Å; Q89-R93 PolarHBondContact O-N 2.92Å
90	K	96.6	Very high	97.6	Very high	80 Å²	80	65.2 Å²	65.2	35%	0.348	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-55.3	170.3	-78	164.2	165	179.6	0	111.1	R86 E87 K92 R93 Q94	R86-K90 PolarHBondContact O-N 3.42Å; E87-K90 WeakPolarHBondContact O-CB 3.38Å; E87-K90 PolarHBondContact O-N 3.32Å; E87-K90 IonicContact OE1-NZ 3.43Å; E87-K90 PolarHBondContact OE1-NZ 3.32Å; E87-K90 WeakPolarHBondContact OE2-CD 3.38Å; E87-K90 WeakPolarHBondContact OE2-CE 3.3Å; E87-K90 IonicContact OE2-NZ 3.85Å; E87-K90 PolarHBondContact OE2-NZ 3.44Å; K90-K92 VanDerWaalsContact C-N 3.31Å; K90-K92 PolarHBondContact O-N 2.91Å; K90-R93 WeakPolarHBondContact O-CB 3.36Å; K90-R93 PolarHBondContact O-N 2.99Å; K90-Q94 PolarHBondContact O-N 3.5Å
91	H	98.3	Very high	97.7	Very high	10 Å²	10	65.5 Å²	65.5	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-40.4	180	-62.9	113.4	0	0	0	112.4	F46 S48 F60 E87 R93 Q94 A95	F46-H91 HydrophobicContact CE1-CB 4.19Å; S48-H91 VanDerWaalsContact CB-CD2 3.47Å; S48-H91 WeakPolarHBondContact CB-CD2 3.36Å; F60-H91 HydrophobicContact CB-CB 3.95Å; F60-H91 HydrophobicContact CD1-CB 3.86Å; F60-H91 HydrophobicContact CD2-CB 3.44Å; F60-H91 VanDerWaalsContact CD2-CB 3.44Å; F60-H91 AromaticContact CD2-CG 3.87Å; F60-H91 HydrophobicContact CE1-CB 4.2Å; F60-H91 HydrophobicContact CE2-CB 3.83Å; F60-H91 HydrophobicContact CG-CB 3.47Å; F60-H91 VanDerWaalsContact CG-CB 3.47Å; F60-H91 AromaticContact CG-CG 3.75Å; F60-H91 HydrophobicContact CZ-CB 4.19Å; E87-H91 PolarHBondContact O-N 2.88Å; E87-H91 PolarHBondContact O-ND1 2.94Å; H91-R93 PolarHBondContact O-N 2.94Å; H91-Q94 PolarHBondContact O-N 3.41Å; H91-A95 WeakPolarHBondContact O-CB 3.46Å; H91-A95 PolarHBondContact O-N 2.96Å
92	K	98.3	Very high	97.8	Very high	85 Å²	85	61.2 Å²	61.2	37%	0.37	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-34	175.6	-75.4	172.9	179.9	168.2	0	113.5	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.08Å; F60-K92 HydrophobicContact CZ-CG 3.83Å; P67-K92 WeakPolarHBondContact O-CE 3.47Å; P67-K92 PolarHBondContact O-NZ 2.71Å; T88-K92 HydrophobicContact CG2-CD 3.97Å; T88-K92 WeakPolarHBondContact O-CB 3.33Å; T88-K92 WeakPolarHBondContact O-CG 3.3Å; T88-K92 PolarHBondContact O-N 3.5Å; T88-K92 VanDerWaalsContact O-N 3.09Å; K90-K92 VanDerWaalsContact C-N 3.31Å; K90-K92 PolarHBondContact O-N 2.91Å; K92-Q96 PolarHBondContact O-N 3.28Å
93	R	98.1	Very high	97.7	Very high	181 Å²	181	60.5 Å²	60.5	68%	0.683	28%	0.281	S	S	*	.	H	α-helix	trans	-70.2	-43.2	172.6	-70.4	167.5	-169.3	-175.1	3.9	111.3	Q89 K90 H91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CD 3.34Å; Q89-R93 VanDerWaalsContact O-CG 3.22Å; Q89-R93 WeakPolarHBondContact O-CG 3.37Å; Q89-R93 PolarHBondContact O-N 2.92Å; K90-R93 WeakPolarHBondContact O-CB 3.36Å; K90-R93 PolarHBondContact O-N 2.99Å; H91-R93 PolarHBondContact O-N 2.94Å; R93-Q96 PolarHBondContact O-N 3.48Å; R93-A97 PolarHBondContact O-N 2.92Å
94	Q	98.1	Very high	97.8	Very high	51 Å²	51	63.3 Å²	63.3	24%	0.238	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-48	177.7	-167.6	62.3	39.4	0	0	111.4	F46 K90 H91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.1Å; F46-Q94 HydrophobicContact CE2-CG 3.69Å; F46-Q94 HydrophobicContact CZ-CB 3.86Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; K90-Q94 PolarHBondContact O-N 3.5Å; H91-Q94 PolarHBondContact O-N 3.41Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.93Å; Q94-A97 CarbonylContact O-C 3.53Å; Q94-A97 WeakPolarHBondContact O-CA 3.37Å; Q94-A97 WeakPolarHBondContact O-CB 3.18Å; Q94-A97 PolarHBondContact O-N 3.32Å; Q94-D98 PolarHBondContact NE2-OD1 3.37Å; Q94-D98 PolarHBondContact O-N 3.44Å
95	A	98.3	Very high	97.8	Very high	22 Å²	22	61.6 Å²	61.6	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-54	-41.6	175.8	0	0	0	0	0	113.2	F46 H91 R99	F46-A95 HydrophobicContact CB-CB 3.61Å; F46-A95 HydrophobicContact CD1-CB 3.69Å; F46-A95 HydrophobicContact CD2-CB 4.03Å; F46-A95 HydrophobicContact CE1-CB 4.36Å; F46-A95 HydrophobicContact CG-CB 3.5Å; F46-A95 VanDerWaalsContact CG-CB 3.5Å; H91-A95 WeakPolarHBondContact O-CB 3.46Å; H91-A95 PolarHBondContact O-N 2.96Å; A95-R99 VanDerWaalsContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 3.36Å
96	Q	98	Very high	97.7	Very high	95 Å²	95	59.4 Å²	59.4	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-75	-29.5	177.4	177.5	59.6	25.2	0	0	112.7	K92 R93 Q94 V100	K92-Q96 PolarHBondContact O-N 3.28Å; R93-Q96 PolarHBondContact O-N 3.48Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.93Å; Q96-V100 WeakPolarHBondContact O-CG2 3.36Å; Q96-V100 PolarHBondContact O-N 2.9Å
97	A	97.5	Very high	97.8	Very high	44 Å²	44	56.6 Å²	56.6	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-49	171.2	0	0	0	0	0	111	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 2.92Å; Q94-A97 CarbonylContact O-C 3.53Å; Q94-A97 WeakPolarHBondContact O-CA 3.37Å; Q94-A97 WeakPolarHBondContact O-CB 3.18Å; Q94-A97 PolarHBondContact O-N 3.32Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 3.28Å; A97-V100 CarbonylContact O-C 3.58Å; A97-V100 WeakPolarHBondContact O-CA 3.33Å; A97-V100 WeakPolarHBondContact O-CB 3.38Å; A97-V100 PolarHBondContact O-N 2.88Å; A97-S101 PolarHBondContact O-N 3.39Å; A97-S101 PolarHBondContact O-OG 3.39Å
98	D	98.1	Very high	97.8	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-36.3	-179.4	-68	-10.4	0	0	0	112.2	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.65Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.35Å; F46-D98 VanDerWaalsContact CE2-OD2 3.25Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.43Å; Q94-D98 PolarHBondContact NE2-OD1 3.37Å; Q94-D98 PolarHBondContact O-N 3.44Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 PolarHBondContact O-N 3.48Å; D98-S101 PolarHBondContact O-N 2.9Å; D98-L102 WeakPolarHBondContact O-CB 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.31Å; D98-L102 PolarHBondContact O-N 3.32Å; D98-L119 HydrophobicContact CB-CD2 4.04Å
99	R	97.8	Very high	97.8	Very high	69 Å²	69	62.3 Å²	62.3	26%	0.26	30%	0.299	S	S	.	.	H	α-helix	trans	-56.4	-37.7	169.1	177.3	-173.3	179	-147.7	2.9	112.9	E43 P44 A95 A97	E43-R99 VanDerWaalsContact CD-CZ 3.47Å; E43-R99 VanDerWaalsContact CD-NE 3.33Å; E43-R99 IonicContact OE1-CZ 3.14Å; E43-R99 IonicContact OE1-NE 2.97Å; E43-R99 IonicContact OE1-NH2 2.69Å; E43-R99 PolarHBondContact OE1-NH2 3.37Å; E43-R99 IonicContact OE2-CZ 3.07Å; E43-R99 VanDerWaalsContact OE2-CZ 3.24Å; E43-R99 IonicContact OE2-NE 3.83Å; E43-R99 PolarHBondContact OE2-NE 2.87Å; E43-R99 IonicContact OE2-NH2 3.3Å; E43-R99 PolarHBondContact OE2-NH2 3.27Å; E43-R99 VanDerWaalsContact OE2-NH2 3.14Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.2Å; A95-R99 VanDerWaalsContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 3.36Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 3.28Å
100	V	97.6	Very high	97.8	Very high	63 Å²	63	64.9 Å²	64.9	38%	0.382	32%	0.315	S	S	.	.	H	α-helix	trans	-77.3	-39.8	175.6	173.1	0	0	0	0	110.6	Q96 A97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.36Å; Q96-V100 PolarHBondContact O-N 2.9Å; A97-V100 CarbonylContact O-C 3.58Å; A97-V100 WeakPolarHBondContact O-CA 3.33Å; A97-V100 WeakPolarHBondContact O-CB 3.38Å; A97-V100 PolarHBondContact O-N 2.88Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 PolarHBondContact O-N 3.48Å; V100-R103 PolarHBondContact O-N 3.39Å; V100-N104 PolarHBondContact O-N 2.9Å; V100-N104 PolarHBondContact O-ND2 3.48Å
101	S	98.1	Very high	97.8	Very high	43 Å²	43	64 Å²	64	30%	0.301	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-48.6	174.4	-62	0	0	0	0	112.1	A97 D98 R103 N104 L105 L119	A97-S101 PolarHBondContact O-N 3.39Å; A97-S101 PolarHBondContact O-OG 3.39Å; D98-S101 PolarHBondContact O-N 2.9Å; S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 3.36Å; S101-N104 WeakPolarHBondContact O-CA 3.18Å; S101-N104 WeakPolarHBondContact O-CB 3.47Å; S101-N104 PolarHBondContact O-N 3.13Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.48Å; S101-L105 WeakPolarHBondContact O-CG 3.14Å; S101-L105 PolarHBondContact O-N 3.05Å; S101-L119 VanDerWaalsContact CB-CD2 3.48Å
102	L	98.3	Very high	97.6	Very high	9 Å²	9	67.1 Å²	67.1	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-53.8	-41.7	175	-77.3	168.6	0	0	0	112.3	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.9Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.87Å; D98-L102 WeakPolarHBondContact O-CB 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.31Å; D98-L102 PolarHBondContact O-N 3.32Å; L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.12Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; L102-L119 HydrophobicContact CD2-CB 3.63Å; L102-L119 HydrophobicContact CG-CB 4.04Å; L102-L119 HydrophobicContact CG-CD2 4.49Å; L102-Y142 HydrophobicContact CD2-CE2 4Å
103	R	96.8	Very high	97.3	Very high	151 Å²	151	69.3 Å²	69.3	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-67.5	-39.9	175.9	-172.5	-175.4	-63.7	163.7	0.6	112.3	V100 S101 G107	V100-R103 PolarHBondContact O-N 3.39Å; S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 3.36Å; R103-G107 PolarHBondContact O-N 3.41Å
104	N	97.6	Very high	97	Very high	66 Å²	66	67.5 Å²	67.5	35%	0.353	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-47.7	177.4	-72.4	-34.5	0	0	0	111.7	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 2.9Å; V100-N104 PolarHBondContact O-ND2 3.48Å; S101-N104 WeakPolarHBondContact O-CA 3.18Å; S101-N104 WeakPolarHBondContact O-CB 3.47Å; S101-N104 PolarHBondContact O-N 3.13Å; N104-G107 CarbonylContact O-C 3.53Å; N104-G107 WeakPolarHBondContact O-CA 3.13Å; N104-G107 PolarHBondContact O-N 3.35Å; N104-G107 VanDerWaalsContact O-N 3.09Å; N104-Y108 HydrophobicContact CB-CE1 4.44Å; N104-Y108 HydrophobicContact CB-CE2 4.27Å; N104-Y108 VanDerWaalsContact O-CD1 3.28Å; N104-Y108 WeakPolarHBondContact O-CD1 3.5Å; N104-Y108 PolarHBondContact O-N 3.47Å
105	L	98.2	Very high	96.8	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-58.9	-52.7	-179.7	-70	161.8	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.48Å; S101-L105 WeakPolarHBondContact O-CG 3.14Å; S101-L105 PolarHBondContact O-N 3.05Å; L105-G107 PolarHBondContact O-N 2.83Å; L105-G107 VanDerWaalsContact O-N 3.11Å; L105-Y108 PolarHBondContact O-N 3.44Å; L105-Y109 HydrophobicContact CD2-CE2 4.27Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.42Å; L105-Y109 PolarHBondContact O-N 3.24Å; L105-L119 HydrophobicContact CD1-CD1 3.98Å; L105-L119 HydrophobicContact CD1-CD2 4.13Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L105-Y142 HydrophobicContact CB-CD1 4.21Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.81Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.4Å; L105-Y142 HydrophobicContact CD1-CD2 3.66Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CD1 4.43Å; L105-Y142 HydrophobicContact CD2-CG 4.37Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD1 4.23Å; L105-Y147 HydrophobicContact CD2-CD2 3.94Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 HydrophobicContact CD2-CG 4.34Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.37Å
106	R	97.3	Very high	96.7	Very high	58 Å²	58	68.7 Å²	68.7	22%	0.219	37%	0.366	C	S	.	.	H	α-helix	trans	-51.8	-36.4	174	-168.6	-166.6	67.5	168.6	8.7	112.4	L102 N110 Q111 S112 E113	L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.12Å; R106-N110 PolarHBondContact O-N 3.04Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 PolarHBondContact O-N 2.97Å; R106-S112 WeakPolarHBondContact CD-O 3.36Å; R106-E113 IonicContact CZ-OE1 3.51Å; R106-E113 IonicContact NH1-OE1 3.43Å; R106-E113 PolarHBondContact NH1-OE1 3.3Å; R106-E113 IonicContact NH2-OE1 2.68Å; R106-E113 PolarHBondContact NH2-OE1 2.95Å
107	G	97.3	Very high	96.7	Very high	43 Å²	43	64.8 Å²	64.8	44%	0.443	35%	0.348	S	S	.	.	H	α-helix	trans	-70.3	-43.3	173.3	0	0	0	0	0	114.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.41Å; N104-G107 CarbonylContact O-C 3.53Å; N104-G107 WeakPolarHBondContact O-CA 3.13Å; N104-G107 PolarHBondContact O-N 3.35Å; N104-G107 VanDerWaalsContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 2.83Å; L105-G107 VanDerWaalsContact O-N 3.11Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-Y109 PolarHBondContact O-N 2.96Å; G107-N110 PolarHBondContact O-N 2.89Å
108	Y	98	Very high	96.8	Very high	57 Å²	57	64.5 Å²	64.5	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-68	-33.3	-179.8	-57.6	-14.3	0	0	0	112.2	N104 L105 N110 I166 K170	N104-Y108 HydrophobicContact CB-CE1 4.44Å; N104-Y108 HydrophobicContact CB-CE2 4.27Å; N104-Y108 VanDerWaalsContact O-CD1 3.28Å; N104-Y108 WeakPolarHBondContact O-CD1 3.5Å; N104-Y108 PolarHBondContact O-N 3.47Å; L105-Y108 PolarHBondContact O-N 3.44Å; Y108-N110 PolarHBondContact O-ND2 2.91Å; Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CB 4.28Å; Y108-I166 HydrophobicContact CD2-CD1 4.26Å; Y108-I166 HydrophobicContact CD2-CG2 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.34Å; Y108-I166 HydrophobicContact CE2-CB 4.15Å; Y108-I166 HydrophobicContact CE2-CG2 3.94Å; Y108-I166 HydrophobicContact CG-CD1 4.01Å; Y108-K170 PolarHBondContact OH-NZ 2.88Å
109	Y	97.9	Very high	96.8	Very high	75 Å²	75	64.6 Å²	64.6	29%	0.294	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.2	175.5	-67.4	-69.9	0	0	0	114.3	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.27Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.42Å; L105-Y109 PolarHBondContact O-N 3.24Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-Y109 PolarHBondContact O-N 2.96Å; Y109-Q111 VanDerWaalsContact C-N 3.25Å; Y109-Q111 PolarHBondContact O-N 2.98Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.48Å; Y109-Y142 HydrophobicContact CE2-CD1 3.48Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.48Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.31Å; Y109-Y147 HydrophobicContact CE2-CE2 4.01Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.49Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.43Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.27Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.17Å; Y109-D161 PolarHBondContact OH-OD2 3.2Å; Y109-A163 HydrophobicContact CD1-CB 4.29Å; Y109-A163 HydrophobicContact CE1-CB 3.75Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å
110	N	97	Very high	96.9	Very high	148 Å²	148	65 Å²	65	79%	0.791	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	36.5	-178.3	-54.1	-85.9	0	0	0	113.8	R106 G107 Y108	R106-N110 PolarHBondContact O-N 3.04Å; G107-N110 PolarHBondContact O-N 2.89Å; Y108-N110 PolarHBondContact O-ND2 2.91Å
111	Q	97.3	Very high	96.9	Very high	61 Å²	61	64 Å²	64	29%	0.285	34%	0.336	S	S	.	.			trans	-81.5	155.3	-178.3	-69.6	161.8	-48.3	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 PolarHBondContact O-N 2.97Å; Y109-Q111 VanDerWaalsContact C-N 3.25Å; Y109-Q111 PolarHBondContact O-N 2.98Å; Q111-H117 PolarHBondContact NE2-CE1 2.86Å; Q111-Y142 PolarHBondContact OE1-OH 2.9Å; Q111-D143 PolarHBondContact NE2-OD2 3.38Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.14Å
112	S	94.7	Very high	96.9	Very high	76 Å²	76	63 Å²	63	53%	0.531	33%	0.327	S	S	.	.			trans	-71.4	157.1	-177.9	56.8	0	0	0	0	113.2	R106 D114 G115	R106-S112 WeakPolarHBondContact CD-O 3.36Å; S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact O-N 3.45Å; S112-G115 PolarHBondContact O-N 3.1Å
113	E	91.3	Very high	96.9	Very high	132 Å²	132	62.9 Å²	62.9	62%	0.617	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-27.2	179.4	-63.4	-136.7	93.1	0	0	113.8	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.44Å; P39-E113 WeakPolarHBondContact CG-O 3.07Å; R106-E113 IonicContact CZ-OE1 3.51Å; R106-E113 IonicContact NH1-OE1 3.43Å; R106-E113 PolarHBondContact NH1-OE1 3.3Å; R106-E113 IonicContact NH2-OE1 2.68Å; R106-E113 PolarHBondContact NH2-OE1 2.95Å; E113-G115 PolarHBondContact O-N 3.33Å
114	D	91.7	Very high	97	Very high	142 Å²	142	55.7 Å²	55.7	76%	0.759	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-5.4	178.5	-50.2	-67.9	0	0	0	113.4	S112	S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact O-N 3.45Å
115	G	93.3	Very high	97	Very high	16 Å²	16	52.5 Å²	52.5	17%	0.165	28%	0.283	C	S	.	.			trans	-69.6	124.9	178.6	0	0	0	0	0	113.6	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 3.34Å; P39-G115 VanDerWaalsContact CG-O 3.23Å; P39-G115 WeakPolarHBondContact CG-O 3.06Å; S112-G115 PolarHBondContact O-N 3.1Å; E113-G115 PolarHBondContact O-N 3.33Å; G115-H117 PolarHBondContact O-CD2 3.02Å
116	S	97.4	Very high	97	Very high	82 Å²	82	53.3 Å²	53.3	57%	0.573	29%	0.287	S	S	*	.			trans	-77.7	123.1	162.5	-169.7	0	0	0	0	108.4	S37	S37-S116 PolarHBondContact O-OG 3.04Å; S37-S116 VanDerWaalsContact O-OG 3.12Å
117	H	98.4	Very high	97	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.065	28%	0.278	C	S	.	.			trans	-130.8	149.2	-175	-66.3	-72.3	0	0	0	111.2	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 CarbonylContact C-O 3.57Å; V36-H117 WeakPolarHBondContact CA-O 3.34Å; S37-H117 PolarHBondContact N-O 2.91Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.07Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; Q111-H117 PolarHBondContact NE2-CE1 2.86Å; G115-H117 PolarHBondContact O-CD2 3.02Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 WeakPolarHBondContact CB-OH 3.33Å; H117-Y142 VanDerWaalsContact CG-OH 3.26Å; H117-Y142 AromaticContact ND1-CZ 3.99Å; H117-Y142 PolarHBondContact ND1-OH 2.86Å; H117-D143 VanDerWaalsContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.38Å; H117-D143 IonicContact CE1-OD2 3.84Å; H117-D143 IonicContact CG-OD1 3.71Å; H117-D143 IonicContact CG-OD2 2.67Å; H117-D143 IonicContact ND1-OD1 3.5Å; H117-D143 PolarHBondContact ND1-OD1 2.81Å; H117-D143 IonicContact ND1-OD2 3.78Å; H117-D143 PolarHBondContact ND1-OD2 3.02Å
118	T	98.8	Very high	96.8	Very high	38 Å²	38	49.2 Å²	49.2	23%	0.233	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.4	-174.1	-64.5	0	0	0	0	110.4	T34 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.35Å; V36-T118 HydrophobicContact CG2-CG2 4.31Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.02Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.5Å; T118-D143 PolarHBondContact N-OD1 3.48Å; T118-D143 PolarHBondContact O-N 3.33Å
119	L	98.8	Very high	96.3	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.6	168.9	172.8	60.7	0	0	0	108.2	T34 A35 D98 S101 L102 L105 Y142	T34-L119 WeakPolarHBondContact CA-O 3.42Å; A35-L119 PolarHBondContact N-O 3.49Å; A35-L119 PolarHBondContact O-N 3.44Å; D98-L119 HydrophobicContact CB-CD2 4.04Å; S101-L119 VanDerWaalsContact CB-CD2 3.48Å; L102-L119 HydrophobicContact CD2-CB 3.63Å; L102-L119 HydrophobicContact CG-CB 4.04Å; L102-L119 HydrophobicContact CG-CD2 4.49Å; L105-L119 HydrophobicContact CD1-CD1 3.98Å; L105-L119 HydrophobicContact CD1-CD2 4.13Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L119-Y142 HydrophobicContact CB-CD2 4.49Å
120	Q	98.8	Very high	95.8	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.6	176.3	-66.1	171.5	-92.6	0	0	109.2	D33 T34 T118 S140 A141	D33-Q120 WeakPolarHBondContact O-CA 2.97Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; Q120-S140 CarbonylContact O-C 3.57Å; Q120-S140 WeakPolarHBondContact O-CA 3.32Å; Q120-A141 HydrophobicContact CB-CB 4.49Å; Q120-A141 PolarHBondContact N-O 2.93Å; Q120-A141 PolarHBondContact O-N 3.23Å
121	R	98.6	Very high	95.4	Very high	41 Å²	41	45.8 Å²	45.8	16%	0.155	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134	173.9	171.3	176	168.8	-90.7	-4.2	110.2	F32 D33 S123 D138 Q139	F32-R121 WeakPolarHBondContact CA-O 3.48Å; D33-R121 HydrophobicContact CB-CB 4.22Å; D33-R121 PolarHBondContact N-O 2.73Å; D33-R121 PolarHBondContact O-N 3.24Å; D33-R121 IonicContact OD2-CZ 2.81Å; D33-R121 IonicContact OD2-NH1 3.6Å; D33-R121 PolarHBondContact OD2-NH1 2.73Å; R121-S123 PolarHBondContact NH1-OG 2.92Å; R121-S123 VanDerWaalsContact NH2-CB 3.31Å; R121-S123 PolarHBondContact NH2-OG 3.28Å; R121-D138 IonicContact CZ-OD1 2.9Å; R121-D138 IonicContact NE-OD1 3.1Å; R121-D138 PolarHBondContact NE-OD1 2.89Å; R121-D138 IonicContact NH2-OD1 3.67Å; R121-D138 PolarHBondContact NH2-OD1 3.4Å; R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.27Å
122	M	98.6	Very high	95.2	Very high	24 Å²	24	50.9 Å²	50.9	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.5	169.3	-169.1	-78	-71.4	0	0	108	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.45Å; F32-M122 HydrophobicContact CD1-CB 4.09Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.26Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 4.07Å; M122-Y137 HydrophobicContact CE-CD1 3.69Å; M122-Y137 HydrophobicContact CE-CE1 4.41Å; M122-Y137 HydrophobicContact CE-CG 3.82Å; M122-Q139 HydrophobicContact CB-CG 4.07Å; M122-Q139 HydrophobicContact CE-CG 4.1Å; M122-Q139 PolarHBondContact N-O 2.77Å; M122-Q139 PolarHBondContact O-N 3.24Å
123	S	98	Very high	95.3	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.9	173.9	64.1	0	0	0	0	111	Y31 R121 Y137	Y31-S123 PolarHBondContact N-O 3.42Å; Y31-S123 PolarHBondContact O-N 2.94Å; R121-S123 PolarHBondContact NH1-OG 2.92Å; R121-S123 VanDerWaalsContact NH2-CB 3.31Å; R121-S123 PolarHBondContact NH2-OG 3.28Å; S123-Y137 VanDerWaalsContact CA-O 3.24Å; S123-Y137 WeakPolarHBondContact CA-O 3.38Å; S123-Y137 WeakPolarHBondContact CB-O 3.34Å
124	G	98.3	Very high	95.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166	180	-172.1	0	0	0	0	0	114.4	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.13Å; G124-Y137 PolarHBondContact N-O 2.66Å; G124-Y137 PolarHBondContact O-N 3.5Å; G124-L184 WeakPolarHBondContact O-CD2 3.46Å
125	C	98.4	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.6	-178.3	53	0	0	0	0	111.1	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.56Å; S28-C125 WeakPolarHBondContact CA-O 3.48Å; M29-C125 PolarHBondContact N-O 3.37Å; M29-C125 PolarHBondContact O-N 3.28Å; C125-L133 HydrophobicContact CB-CD1 3.51Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; C125-C188 HydrophobicContact CB-CB 3.86Å; C125-C188 WeakPolarHBondContact CB-SG 3.43Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.38Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.47Å
126	D	97.8	Very high	96	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.3	173.5	-58.9	-6	0	0	0	109	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.41Å; H27-D126 WeakPolarHBondContact O-CA 3.49Å; S28-D126 VanDerWaalsContact CB-OD1 3.25Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å; R30-D126 IonicContact CZ-OD1 3.47Å; R30-D126 IonicContact CZ-OD2 2.96Å; R30-D126 IonicContact NE-OD1 3.49Å; R30-D126 PolarHBondContact NE-OD1 3.49Å; R30-D126 IonicContact NH2-OD1 3.48Å; R30-D126 PolarHBondContact NH2-OD1 3.31Å; R30-D126 IonicContact NH2-OD2 3.7Å; R30-D126 PolarHBondContact NH2-OD2 2.96Å; D126-L134 PolarHBondContact O-N 3.07Å; D126-R135 HydrophobicContact CB-CB 4.48Å; D126-R135 PolarHBondContact N-O 3.22Å; D126-R135 PolarHBondContact O-N 2.97Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 PolarHBondContact OD2-OH 3.11Å
127	L	96.4	Very high	96	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.6	176.2	-53.6	-178	0	0	0	110.6	S26 H27 R132 V189 L192 R193 L196	S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.32Å; S26-L127 WeakPolarHBondContact CB-O 3.32Å; H27-L127 PolarHBondContact N-O 2.84Å; H27-L127 PolarHBondContact O-N 2.89Å; L127-R132 CarbonylContact C-O 3.53Å; L127-R132 WeakPolarHBondContact CA-O 3.38Å; L127-V189 HydrophobicContact CD2-CB 4.17Å; L127-V189 HydrophobicContact CD2-CG1 3.81Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L127-L192 HydrophobicContact CD1-CB 4.39Å; L127-L192 HydrophobicContact CD1-CD2 3.76Å; L127-L192 HydrophobicContact CD1-CG 3.79Å; L127-L192 HydrophobicContact CD2-CD2 4.44Å; L127-L192 HydrophobicContact CG-CD2 3.62Å; L127-L192 HydrophobicContact CG-CG 4.23Å; L127-R193 HydrophobicContact CD1-CG 3.93Å; L127-L196 HydrophobicContact CD1-CD1 4.48Å
128	G	92.8	Very high	96	Very high	11 Å²	11	44.1 Å²	44.1	11%	0.113	22%	0.222	C	C	.	.			trans	-73.1	173.9	164.5	0	0	0	0	0	112	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.05Å; G128-D130 VanDerWaalsContact O-N 3.14Å; G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 3.14Å; G128-R132 PolarHBondContact N-O 3.44Å
129	P	88.3	Confident	96	Very high	92 Å²	92	45.6 Å²	45.6	60%	0.597	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.5	179.4	-19.4	28.8	0	0	0	114.4	A24 G131	A24-P129 HydrophobicContact CB-CB 4.48Å; A24-P129 HydrophobicContact CB-CG 3.5Å; A24-P129 VanDerWaalsContact CB-CG 3.5Å; P129-G131 PolarHBondContact O-N 3.45Å
130	D	88.1	Confident	96	Very high	95 Å²	95	46.1 Å²	46.1	51%	0.508	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	5.5	172.7	76.7	-15.8	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 3.05Å; G128-D130 VanDerWaalsContact O-N 3.14Å; D130-R132 PolarHBondContact O-N 2.66Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.38Å; D130-R132 WeakPolarHBondContact OD1-CG 3.42Å; D130-R132 PolarHBondContact OD1-N 2.89Å; D130-R132 WeakPolarHBondContact OD2-CD 3.27Å; D130-R132 WeakPolarHBondContact OD2-CG 3.4Å; D130-R132 IonicContact OD2-CZ 3.2Å; D130-R132 VanDerWaalsContact OD2-CZ 3.24Å; D130-R132 IonicContact OD2-NE 3.18Å; D130-R132 PolarHBondContact OD2-NE 2.82Å; D130-R132 IonicContact OD2-NH1 2.64Å; D130-R132 PolarHBondContact OD2-NH1 2.85Å
131	G	88.3	Confident	96	Very high	20 Å²	20	43.3 Å²	43.3	21%	0.206	22%	0.221	C	C	.	.	S	Bend	trans	70.3	10	-179.2	0	0	0	0	0	114.5	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 3.14Å; P129-G131 PolarHBondContact O-N 3.45Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.87Å; G131-R193 PolarHBondContact O-NH2 3.12Å
132	R	93.3	Very high	96	Very high	168 Å²	168	41.9 Å²	41.9	63%	0.634	22%	0.215	S	C	*	.	S	Bend	trans	-90.5	157.5	177.3	-59.6	-174.8	-173.6	134.1	-7.5	111.4	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.53Å; L127-R132 WeakPolarHBondContact CA-O 3.38Å; G128-R132 PolarHBondContact N-O 3.44Å; D130-R132 PolarHBondContact O-N 2.66Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.38Å; D130-R132 WeakPolarHBondContact OD1-CG 3.42Å; D130-R132 PolarHBondContact OD1-N 2.89Å; D130-R132 WeakPolarHBondContact OD2-CD 3.27Å; D130-R132 WeakPolarHBondContact OD2-CG 3.4Å; D130-R132 IonicContact OD2-CZ 3.2Å; D130-R132 VanDerWaalsContact OD2-CZ 3.24Å; D130-R132 IonicContact OD2-NE 3.18Å; D130-R132 PolarHBondContact OD2-NE 2.82Å; D130-R132 IonicContact OD2-NH1 2.64Å; D130-R132 PolarHBondContact OD2-NH1 2.85Å; R132-L134 PolarHBondContact O-N 3.38Å; R132-L134 VanDerWaalsContact O-N 3.11Å
133	L	96.4	Very high	96	Very high	49 Å²	49	43.6 Å²	43.6	26%	0.257	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	116	174.1	-173.8	74.1	0	0	0	110.2	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.51Å; L133-R135 VanDerWaalsContact CD1-O 3.25Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; L133-L154 HydrophobicContact CD2-CD1 4.02Å; L133-E185 HydrophobicContact CD2-CB 4.48Å; L133-E185 HydrophobicContact CD2-CG 3.75Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 4.1Å
134	L	96.1	Very high	96	Very high	122 Å²	122	46.2 Å²	46.2	64%	0.639	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	-44.1	169	177.8	61.9	0	0	0	110.1	D126 R132	D126-L134 PolarHBondContact O-N 3.07Å; R132-L134 PolarHBondContact O-N 3.38Å; R132-L134 VanDerWaalsContact O-N 3.11Å
135	R	96.4	Very high	96	Very high	92 Å²	92	53.9 Å²	53.9	35%	0.347	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.4	-177.6	-169.9	163.4	172.8	130.6	7.9	111.8	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.38Å; D126-R135 HydrophobicContact CB-CB 4.48Å; D126-R135 PolarHBondContact N-O 3.22Å; D126-R135 PolarHBondContact O-N 2.97Å; L133-R135 VanDerWaalsContact CD1-O 3.25Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-OH 3.27Å; R135-Y137 WeakPolarHBondContact CD-OH 3.42Å; R135-Y137 HydrophobicContact CG-CD2 4.33Å; R135-Y137 HydrophobicContact CG-CE1 4.37Å; R135-Y137 HydrophobicContact CG-CE2 3.7Å; R135-Y137 PolarHBondContact NE-OH 2.79Å; R135-E152 VanDerWaalsContact CZ-CD 3.45Å; R135-E152 IonicContact CZ-OE1 3.63Å; R135-E152 IonicContact NH1-OE1 2.75Å; R135-E152 PolarHBondContact NH1-OE1 3.2Å; R135-E152 IonicContact NH1-OE2 2.75Å; R135-E152 PolarHBondContact NH1-OE2 3.13Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 2.76Å; R135-E152 PolarHBondContact NH2-OE1 3.11Å
136	G	97.9	Very high	96	Very high	5 Å²	5	59.7 Å²	59.7	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152.6	170.9	0	0	0	0	0	111.3
137	Y	98.1	Very high	96.1	Very high	40 Å²	40	59 Å²	59	16%	0.157	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.4	-176.5	-59.3	-98.6	0	0	0	111.4	R30 M122 S123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.36Å; M122-Y137 HydrophobicContact CE-CD1 3.69Å; M122-Y137 HydrophobicContact CE-CE1 4.41Å; M122-Y137 HydrophobicContact CE-CG 3.82Å; S123-Y137 VanDerWaalsContact CA-O 3.24Å; S123-Y137 WeakPolarHBondContact CA-O 3.38Å; S123-Y137 WeakPolarHBondContact CB-O 3.34Å; G124-Y137 PolarHBondContact N-O 2.66Å; G124-Y137 PolarHBondContact O-N 3.5Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 PolarHBondContact OD2-OH 3.11Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-OH 3.27Å; R135-Y137 WeakPolarHBondContact CD-OH 3.42Å; R135-Y137 HydrophobicContact CG-CD2 4.33Å; R135-Y137 HydrophobicContact CG-CE1 4.37Å; R135-Y137 HydrophobicContact CG-CE2 3.7Å; R135-Y137 PolarHBondContact NE-OH 2.79Å
138	D	98.4	Very high	96.2	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.07	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	108.7	158	-172.4	78	0	0	0	107.6	R121 L150 L180	R121-D138 IonicContact CZ-OD1 2.9Å; R121-D138 IonicContact NE-OD1 3.1Å; R121-D138 PolarHBondContact NE-OD1 2.89Å; R121-D138 IonicContact NH2-OD1 3.67Å; R121-D138 PolarHBondContact NH2-OD1 3.4Å; D138-L150 HydrophobicContact CB-CB 4.04Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 WeakPolarHBondContact O-CB 3.37Å; D138-L150 PolarHBondContact O-N 3.15Å; D138-L180 HydrophobicContact CB-CD1 4.16Å; D138-L180 HydrophobicContact CB-CD2 4.38Å
139	Q	98.6	Very high	96.5	Very high	68 Å²	68	60.3 Å²	60.3	32%	0.318	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.6	-177.2	64	-172.3	79.8	0	0	111.1	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.27Å; M122-Q139 HydrophobicContact CB-CG 4.07Å; M122-Q139 HydrophobicContact CE-CG 4.1Å; M122-Q139 PolarHBondContact N-O 2.77Å; M122-Q139 PolarHBondContact O-N 3.24Å; Q139-I148 CarbonylContact C-O 3.57Å; Q139-I148 WeakPolarHBondContact CA-O 3.21Å; Q139-A149 HydrophobicContact CB-CB 3.81Å
140	S	98.7	Very high	97	Very high	20 Å²	20	56.6 Å²	56.6	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.1	-179.7	-57.5	0	0	0	0	111.8	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.57Å; Q120-S140 WeakPolarHBondContact O-CA 3.32Å; S140-Y147 WeakPolarHBondContact O-CA 3.35Å; S140-Y147 WeakPolarHBondContact O-CB 3.49Å; S140-Y147 PolarHBondContact O-N 3.39Å; S140-I148 PolarHBondContact N-O 2.94Å; S140-I148 PolarHBondContact O-N 3.47Å; S140-I148 VanDerWaalsContact O-N 3.15Å
141	A	98.8	Very high	97.4	Very high	18 Å²	18	54.2 Å²	54.2	15%	0.149	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.9	176.3	0	0	0	0	0	110.5	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.49Å; Q120-A141 PolarHBondContact N-O 2.93Å; Q120-A141 PolarHBondContact O-N 3.23Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.28Å; A141-K145 WeakPolarHBondContact CB-O 3.16Å
142	Y	98.8	Very high	97.9	Very high	11 Å²	11	59.8 Å²	59.8	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.3	178.6	-173.5	-123.9	0	0	0	110.8	L102 L105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4Å; L105-Y142 HydrophobicContact CB-CD1 4.21Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.81Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.4Å; L105-Y142 HydrophobicContact CD1-CD2 3.66Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CD1 4.43Å; L105-Y142 HydrophobicContact CD2-CG 4.37Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.48Å; Y109-Y142 HydrophobicContact CE2-CD1 3.48Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.48Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Q111-Y142 PolarHBondContact OE1-OH 2.9Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 WeakPolarHBondContact CB-OH 3.33Å; H117-Y142 VanDerWaalsContact CG-OH 3.26Å; H117-Y142 AromaticContact ND1-CZ 3.99Å; H117-Y142 PolarHBondContact ND1-OH 2.86Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.02Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.5Å; L119-Y142 HydrophobicContact CB-CD2 4.49Å; Y142-G144 PolarHBondContact O-N 2.84Å; Y142-G144 VanDerWaalsContact O-N 3.11Å; Y142-K145 PolarHBondContact N-O 3.29Å; Y142-K145 PolarHBondContact O-N 3.05Å
143	D	98.3	Very high	98.1	Very high	61 Å²	61	55.2 Å²	55.2	33%	0.326	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	40	-174.4	-65	-20.3	0	0	0	113.2	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.38Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.14Å; H117-D143 VanDerWaalsContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.38Å; H117-D143 IonicContact CE1-OD2 3.84Å; H117-D143 IonicContact CG-OD1 3.71Å; H117-D143 IonicContact CG-OD2 2.67Å; H117-D143 IonicContact ND1-OD1 3.5Å; H117-D143 PolarHBondContact ND1-OD1 2.81Å; H117-D143 IonicContact ND1-OD2 3.78Å; H117-D143 PolarHBondContact ND1-OD2 3.02Å; T118-D143 PolarHBondContact N-OD1 3.48Å; T118-D143 PolarHBondContact O-N 3.33Å
144	G	97.6	Very high	98.1	Very high	60 Å²	60	53.4 Å²	53.4	62%	0.619	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	13.9	178	0	0	0	0	0	115.8	Y142	Y142-G144 PolarHBondContact O-N 2.84Å; Y142-G144 VanDerWaalsContact O-N 3.11Å
145	K	98.6	Very high	98.2	Very high	161 Å²	161	55.4 Å²	55.4	70%	0.7	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.6	178.4	-61.8	174.6	-176.3	173.1	0	111.1	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.28Å; A141-K145 WeakPolarHBondContact CB-O 3.16Å; Y142-K145 PolarHBondContact N-O 3.29Å; Y142-K145 PolarHBondContact O-N 3.05Å; K145-Y147 PolarHBondContact O-N 2.84Å
146	D	98.7	Very high	98.3	Very high	122 Å²	122	53 Å²	53	65%	0.652	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.4	135.3	173.8	-63.9	-51.1	0	0	0	111.3	A160	D146-A160 WeakPolarHBondContact O-CB 3.28Å
147	Y	98.8	Very high	98.3	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-59.5	179.2	179.2	-104.9	0	0	0	110.3	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.23Å; L105-Y147 HydrophobicContact CD2-CD2 3.94Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 HydrophobicContact CD2-CG 4.34Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.31Å; Y109-Y147 HydrophobicContact CE2-CE2 4.01Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.49Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.43Å; S140-Y147 WeakPolarHBondContact O-CA 3.35Å; S140-Y147 WeakPolarHBondContact O-CB 3.49Å; S140-Y147 PolarHBondContact O-N 3.39Å; K145-Y147 PolarHBondContact O-N 2.84Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 3.11Å; Y147-A163 HydrophobicContact CE2-CB 4.36Å; Y147-A163 PolarHBondContact OH-O 2.78Å; Y147-A164 HydrophobicContact CD2-CB 3.91Å; Y147-A164 HydrophobicContact CE1-CB 4.4Å; Y147-A164 HydrophobicContact CE2-CB 3.78Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 VanDerWaalsContact CZ-CA 3.47Å; Y147-A164 WeakPolarHBondContact O-CB 3.25Å; Y147-T167 HydrophobicContact CE1-CG2 4.18Å; Y147-T167 PolarHBondContact OH-OG1 2.92Å
148	I	98.8	Very high	98.3	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.056	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	142.5	179.8	-159.3	169.8	0	0	0	111.3	Q139 S140 W157 T158 T167 Q168 L171	Q139-I148 CarbonylContact C-O 3.57Å; Q139-I148 WeakPolarHBondContact CA-O 3.21Å; S140-I148 PolarHBondContact N-O 2.94Å; S140-I148 PolarHBondContact O-N 3.47Å; S140-I148 VanDerWaalsContact O-N 3.15Å; I148-W157 HydrophobicContact CD1-CB 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.21Å; I148-W157 HydrophobicContact CG1-CE3 4.05Å; I148-T158 WeakPolarHBondContact CA-O 3.37Å; I148-T158 WeakPolarHBondContact CG1-O 3.45Å; I148-T167 HydrophobicContact CD1-CG2 3.98Å; I148-Q168 HydrophobicContact CD1-CB 3.95Å; I148-L171 HydrophobicContact CD1-CD1 3.83Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	55.9 Å²	55.9	25%	0.248	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.3	176.9	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.81Å; A149-W157 CarbonylContact O-C 3.58Å; A149-W157 WeakPolarHBondContact O-CA 3.11Å; A149-T158 PolarHBondContact N-O 3Å; A149-T158 PolarHBondContact O-N 3.31Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55.6 Å²	55.6	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.3	165.5	-176	68.4	0	0	0	108.5	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 4.04Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 WeakPolarHBondContact O-CB 3.37Å; D138-L150 PolarHBondContact O-N 3.15Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 4.12Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.81Å; L150-W157 HydrophobicContact CD1-CD2 4.28Å; L150-W157 HydrophobicContact CD1-CE3 4.42Å; L150-W157 HydrophobicContact CD1-CH2 4.14Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.36Å; L150-A177 HydrophobicContact CD1-CB 3.85Å; L150-L180 HydrophobicContact CD2-CB 4.23Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.5	Very high	98.3	Very high	45 Å²	45	57.2 Å²	57.2	24%	0.241	32%	0.318	C	S	.	.			trans	-76.8	165.4	-178.6	-66.3	-24.8	0	0	0	111.7	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 3.49Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 WeakPolarHBondContact O-CA 3.43Å; N151-L154 PolarHBondContact O-N 2.79Å; N151-S156 WeakPolarHBondContact CB-O 3.27Å; N151-S156 PolarHBondContact N-O 2.91Å; N151-S156 PolarHBondContact ND2-OG 2.81Å; N151-W157 PolarHBondContact ND2-N 3.49Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-N 3.4Å; N151-T158 PolarHBondContact OD1-OG1 2.77Å
152	E	97.3	Very high	98.3	Very high	138 Å²	138	61.7 Å²	61.7	65%	0.645	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.1	-178.5	-61.3	179	-164.9	0	0	114	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.45Å; R135-E152 IonicContact CZ-OE1 3.63Å; R135-E152 IonicContact NH1-OE1 2.75Å; R135-E152 PolarHBondContact NH1-OE1 3.2Å; R135-E152 IonicContact NH1-OE2 2.75Å; R135-E152 PolarHBondContact NH1-OE2 3.13Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 2.76Å; R135-E152 PolarHBondContact NH2-OE1 3.11Å; E152-L154 PolarHBondContact O-N 2.9Å
153	D	97.4	Very high	98.3	Very high	72 Å²	72	61.4 Å²	61.4	39%	0.385	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.3	172.6	71	-2	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.49Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CD 3.35Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.26Å; D153-R155 PolarHBondContact O-N 2.93Å; D153-R155 PolarHBondContact OD1-N 2.81Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 2.6Å; D153-S156 PolarHBondContact OD1-OG 3.32Å; D153-S156 WeakPolarHBondContact OD2-CB 3.09Å; D153-S156 PolarHBondContact OD2-N 3.25Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
154	L	97.9	Very high	98.3	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.052	33%	0.328	C	S	.	.	S	Bend	trans	52	31.1	-173.1	-54.8	-178.6	0	0	0	113.4	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.02Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 WeakPolarHBondContact O-CA 3.43Å; N151-L154 PolarHBondContact O-N 2.79Å; E152-L154 PolarHBondContact O-N 2.9Å; L154-R181 HydrophobicContact CB-CB 4Å; L154-R181 HydrophobicContact CB-CG 3.73Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-R181 WeakPolarHBondContact O-CD 3.46Å; L154-L184 HydrophobicContact CD1-CB 4.48Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; L154-E185 HydrophobicContact CD1-CG 4.23Å
155	R	97.6	Very high	98.3	Very high	164 Å²	164	59 Å²	59	62%	0.619	31%	0.314	S	S	*	.	S	Bend	trans	-137.9	-37.4	-173	-68.9	158.7	-176.4	-91.9	5	113.3	D153 A177	D153-R155 WeakPolarHBondContact O-CD 3.35Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.26Å; D153-R155 PolarHBondContact O-N 2.93Å; D153-R155 PolarHBondContact OD1-N 2.81Å; R155-A177 WeakPolarHBondContact O-CB 3.27Å
156	S	97.9	Very high	98.3	Very high	43 Å²	43	54.3 Å²	54.3	30%	0.301	30%	0.296	S	S	.	.			trans	-109.5	165.6	-178	62.9	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.27Å; N151-S156 PolarHBondContact N-O 2.91Å; N151-S156 PolarHBondContact ND2-OG 2.81Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 2.6Å; D153-S156 PolarHBondContact OD1-OG 3.32Å; D153-S156 WeakPolarHBondContact OD2-CB 3.09Å; D153-S156 PolarHBondContact OD2-N 3.25Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
157	W	98.7	Very high	98.3	Very high	14 Å²	14	50 Å²	50	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.9	-175.6	-62.4	91.8	0	0	0	111	I148 A149 L150 N151 Q168 L171 A176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.21Å; I148-W157 HydrophobicContact CG1-CE3 4.05Å; A149-W157 CarbonylContact O-C 3.58Å; A149-W157 WeakPolarHBondContact O-CA 3.11Å; L150-W157 HydrophobicContact CB-CE3 4.12Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.81Å; L150-W157 HydrophobicContact CD1-CD2 4.28Å; L150-W157 HydrophobicContact CD1-CE3 4.42Å; L150-W157 HydrophobicContact CD1-CH2 4.14Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.36Å; N151-W157 PolarHBondContact ND2-N 3.49Å; W157-Q168 HydrophobicContact CB-CG 4.13Å; W157-L171 HydrophobicContact CD2-CD1 3.97Å; W157-L171 HydrophobicContact CE3-CD1 3.99Å; W157-L171 HydrophobicContact CH2-CD1 3.78Å; W157-L171 HydrophobicContact CZ2-CB 4.08Å; W157-L171 HydrophobicContact CZ2-CD1 3.77Å; W157-L171 HydrophobicContact CZ2-CG 4.36Å; W157-L171 HydrophobicContact CZ3-CD1 3.89Å; W157-A176 HydrophobicContact CZ2-CB 4.33Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; W157-L180 HydrophobicContact CH2-CD1 3.45Å; W157-L180 VanDerWaalsContact CH2-CD1 3.45Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å
158	T	98.7	Very high	98.3	Very high	80 Å²	80	51.6 Å²	51.6	49%	0.491	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.3	164.4	-66.3	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.37Å; I148-T158 WeakPolarHBondContact CG1-O 3.45Å; A149-T158 PolarHBondContact N-O 3Å; A149-T158 PolarHBondContact O-N 3.31Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-N 3.4Å; N151-T158 PolarHBondContact OD1-OG1 2.77Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.7 Å²	57.7	19%	0.19	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.4	176.6	0	0	0	0	0	110	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.67Å; A159-Q165 HydrophobicContact CB-CG 4.14Å; A159-Q168 HydrophobicContact CB-CB 4.34Å
160	A	98.5	Very high	98.3	Very high	62 Å²	62	61.6 Å²	61.6	51%	0.512	32%	0.316	S	S	.	.	S	Bend	trans	-71.5	-31.6	-174.1	0	0	0	0	0	113.8	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.28Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 3.11Å
161	D	98.3	Very high	98.2	Very high	55 Å²	55	63 Å²	63	29%	0.294	32%	0.324	S	S	.	.	S	Bend	trans	-148.8	-172.6	-178	70	28.9	0	0	0	113.9	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.27Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.17Å; Y109-D161 PolarHBondContact OH-OD2 3.2Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.83Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 3.14Å; D161-A164 PolarHBondContact O-N 2.71Å; D161-A164 PolarHBondContact OD1-N 3.34Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.01Å
162	T	98.1	Very high	98.2	Very high	111 Å²	111	65.3 Å²	65.3	68%	0.681	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.7	-179	50	0	0	0	0	114.6
163	A	98.1	Very high	98.3	Very high	6 Å²	6	62.9 Å²	62.9	5%	0.05	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-43.2	171.6	0	0	0	0	0	110.3	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.29Å; Y109-A163 HydrophobicContact CE1-CB 3.75Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å; Y147-A163 HydrophobicContact CE2-CB 4.36Å; Y147-A163 PolarHBondContact OH-O 2.78Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.83Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 3.14Å; A163-Q165 VanDerWaalsContact C-N 3.25Å; A163-Q165 PolarHBondContact O-N 3.14Å; A163-I166 WeakPolarHBondContact O-CA 3.29Å; A163-I166 VanDerWaalsContact O-CB 3.22Å; A163-I166 WeakPolarHBondContact O-CB 3.34Å; A163-I166 PolarHBondContact O-N 3.22Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-37.1	172.9	0	0	0	0	0	112.8	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.91Å; Y147-A164 HydrophobicContact CE1-CB 4.4Å; Y147-A164 HydrophobicContact CE2-CB 3.78Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 VanDerWaalsContact CZ-CA 3.47Å; Y147-A164 WeakPolarHBondContact O-CB 3.25Å; A159-A164 HydrophobicContact CB-CB 3.67Å; D161-A164 PolarHBondContact O-N 2.71Å; D161-A164 PolarHBondContact OD1-N 3.34Å; A164-I166 PolarHBondContact O-N 2.9Å; A164-T167 WeakPolarHBondContact O-CA 3.37Å; A164-T167 WeakPolarHBondContact O-CB 3.19Å; A164-T167 PolarHBondContact O-N 3.39Å; A164-Q168 PolarHBondContact O-N 3.25Å
165	Q	98.7	Very high	98.3	Very high	70 Å²	70	69.6 Å²	69.6	33%	0.327	37%	0.37	S	S	.	.	H	α-helix	trans	-59.6	-24.4	171.8	-73.2	175.4	21.9	0	0	114.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.14Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.01Å; A163-Q165 VanDerWaalsContact C-N 3.25Å; A163-Q165 PolarHBondContact O-N 3.14Å; Q165-R169 WeakPolarHBondContact O-CD 3.41Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.43Å; Q165-R169 PolarHBondContact O-N 3.4Å
166	I	98.4	Very high	98.2	Very high	62 Å²	62	62.5 Å²	62.5	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-71.9	-38.7	173.4	-54.2	172.8	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CB 4.28Å; Y108-I166 HydrophobicContact CD2-CD1 4.26Å; Y108-I166 HydrophobicContact CD2-CG2 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.34Å; Y108-I166 HydrophobicContact CE2-CB 4.15Å; Y108-I166 HydrophobicContact CE2-CG2 3.94Å; Y108-I166 HydrophobicContact CG-CD1 4.01Å; A163-I166 WeakPolarHBondContact O-CA 3.29Å; A163-I166 VanDerWaalsContact O-CB 3.22Å; A163-I166 WeakPolarHBondContact O-CB 3.34Å; A163-I166 PolarHBondContact O-N 3.22Å; A164-I166 PolarHBondContact O-N 2.9Å; I166-K170 WeakPolarHBondContact O-CG 3.45Å
167	T	98.3	Very high	98.3	Very high	33 Å²	33	60.9 Å²	60.9	20%	0.202	34%	0.335	C	S	.	.	H	α-helix	trans	-69.4	-45.8	172.8	-68	0	0	0	0	111.2	Y147 I148 A164 R169 K170 L171	Y147-T167 HydrophobicContact CE1-CG2 4.18Å; Y147-T167 PolarHBondContact OH-OG1 2.92Å; I148-T167 HydrophobicContact CD1-CG2 3.98Å; A164-T167 WeakPolarHBondContact O-CA 3.37Å; A164-T167 WeakPolarHBondContact O-CB 3.19Å; A164-T167 PolarHBondContact O-N 3.39Å; T167-R169 PolarHBondContact O-N 2.75Å; T167-K170 WeakPolarHBondContact O-CA 3.36Å; T167-K170 WeakPolarHBondContact O-CB 3.38Å; T167-K170 PolarHBondContact O-N 2.81Å; T167-L171 HydrophobicContact CG2-CD1 3.73Å; T167-L171 HydrophobicContact CG2-CG 4.04Å; T167-L171 WeakPolarHBondContact O-CG 3.39Å; T167-L171 PolarHBondContact O-N 3.11Å
168	Q	98.7	Very high	98.2	Very high	41 Å²	41	65.7 Å²	65.7	19%	0.192	36%	0.358	C	S	.	.	H	α-helix	trans	-50.3	-55.1	177.6	174.2	173	7.4	0	0	112	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.95Å; W157-Q168 HydrophobicContact CB-CG 4.13Å; A159-Q168 HydrophobicContact CB-CB 4.34Å; A164-Q168 PolarHBondContact O-N 3.25Å; Q168-K170 PolarHBondContact O-N 2.84Å; Q168-K170 VanDerWaalsContact O-N 3.11Å; Q168-L171 PolarHBondContact O-N 2.82Å; Q168-E172 VanDerWaalsContact CG-CD 3.48Å; Q168-E172 HydrophobicContact CG-CG 4.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 2.86Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 3.24Å
169	R	98.6	Very high	98.1	Very high	138 Å²	138	68.9 Å²	68.9	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-57.8	-30	-179.8	-68.2	166.9	-169.2	126.4	9.2	112.9	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CD 3.41Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.43Å; Q165-R169 PolarHBondContact O-N 3.4Å; T167-R169 PolarHBondContact O-N 2.75Å; R169-A173 VanDerWaalsContact O-CB 3.23Å; R169-A173 WeakPolarHBondContact O-CB 3.26Å; R169-A173 PolarHBondContact O-N 3.37Å; R169-A173 VanDerWaalsContact O-N 3.11Å
170	K	98	Very high	98	Very high	113 Å²	113	69.3 Å²	69.3	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-76.2	-42.4	175.3	-69	172.8	178.4	-175.5	0	112.2	Y108 I166 T167 Q168 E172 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.88Å; I166-K170 WeakPolarHBondContact O-CG 3.45Å; T167-K170 WeakPolarHBondContact O-CA 3.36Å; T167-K170 WeakPolarHBondContact O-CB 3.38Å; T167-K170 PolarHBondContact O-N 2.81Å; Q168-K170 PolarHBondContact O-N 2.84Å; Q168-K170 VanDerWaalsContact O-N 3.11Å; K170-E172 VanDerWaalsContact C-N 3.35Å; K170-A173 PolarHBondContact O-N 3.03Å; K170-A174 WeakPolarHBondContact O-CB 3.39Å; K170-A174 PolarHBondContact O-N 3.11Å
171	L	98.1	Very high	98	Very high	44 Å²	44	69.9 Å²	69.9	23%	0.23	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-39.2	177	-65.6	174.3	0	0	0	111.4	I148 W157 T167 Q168 A174 R175 A176	I148-L171 HydrophobicContact CD1-CD1 3.83Å; W157-L171 HydrophobicContact CD2-CD1 3.97Å; W157-L171 HydrophobicContact CE3-CD1 3.99Å; W157-L171 HydrophobicContact CH2-CD1 3.78Å; W157-L171 HydrophobicContact CZ2-CB 4.08Å; W157-L171 HydrophobicContact CZ2-CD1 3.77Å; W157-L171 HydrophobicContact CZ2-CG 4.36Å; W157-L171 HydrophobicContact CZ3-CD1 3.89Å; T167-L171 HydrophobicContact CG2-CD1 3.73Å; T167-L171 HydrophobicContact CG2-CG 4.04Å; T167-L171 WeakPolarHBondContact O-CG 3.39Å; T167-L171 PolarHBondContact O-N 3.11Å; Q168-L171 PolarHBondContact O-N 2.82Å; L171-A174 CarbonylContact O-C 3.59Å; L171-R175 CarbonylContact O-C 3.57Å; L171-R175 WeakPolarHBondContact O-CA 3.49Å; L171-R175 PolarHBondContact O-N 2.95Å; L171-A176 HydrophobicContact CB-CB 4.05Å; L171-A176 HydrophobicContact CD2-CB 3.64Å; L171-A176 HydrophobicContact CG-CB 4.44Å; L171-A176 PolarHBondContact O-N 2.77Å
172	E	98.3	Very high	97.9	Very high	93 Å²	93	70.3 Å²	70.3	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-64.5	-50.6	173.4	-70.1	167.8	167.5	0	0	111.4	Q168 K170 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.48Å; Q168-E172 HydrophobicContact CG-CG 4.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 2.86Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 3.24Å; K170-E172 VanDerWaalsContact C-N 3.35Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 3.02Å
173	A	98.3	Very high	97.9	Very high	87 Å²	87	67.8 Å²	67.8	72%	0.719	35%	0.345	S	S	*	.	H	α-helix	trans	-62.3	-32.9	177.4	0	0	0	0	0	113.2	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.23Å; R169-A173 WeakPolarHBondContact O-CB 3.26Å; R169-A173 PolarHBondContact O-N 3.37Å; R169-A173 VanDerWaalsContact O-N 3.11Å; K170-A173 PolarHBondContact O-N 3.03Å
174	A	97.6	Very high	97.9	Very high	66 Å²	66	67.6 Å²	67.6	55%	0.545	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.8	174.8	0	0	0	0	0	114.1	K170 L171 E172 A176	K170-A174 WeakPolarHBondContact O-CB 3.39Å; K170-A174 PolarHBondContact O-N 3.11Å; L171-A174 CarbonylContact O-C 3.59Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.85Å; A174-A176 PolarHBondContact O-N 2.9Å
175	R	97.4	Very high	97.9	Very high	157 Å²	157	71.6 Å²	71.6	59%	0.592	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	34.2	-173.8	-60.4	173.6	171.1	-127.9	9.3	114.1	L171 E172 A177 E178	L171-R175 CarbonylContact O-C 3.57Å; L171-R175 WeakPolarHBondContact O-CA 3.49Å; L171-R175 PolarHBondContact O-N 2.95Å; E172-R175 PolarHBondContact O-N 3.02Å; R175-A177 PolarHBondContact O-N 2.83Å; R175-A177 VanDerWaalsContact O-N 3.09Å; R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 WeakPolarHBondContact CD-OE1 3.49Å; R175-E178 IonicContact CZ-OE1 2.74Å; R175-E178 IonicContact NE-OE1 3.42Å; R175-E178 IonicContact NH1-OE1 3.85Å; R175-E178 PolarHBondContact NH1-OE1 2.81Å; R175-E178 IonicContact NH1-OE2 2.78Å; R175-E178 WeakPolarHBondContact O-CB 3.46Å; R175-E178 PolarHBondContact O-N 2.94Å
176	A	97.4	Very high	97.8	Very high	15 Å²	15	69.3 Å²	69.3	12%	0.124	36%	0.357	C	S	.	.	H	α-helix	trans	-56.9	-31.9	-173.8	0	0	0	0	0	113.5	W157 L171 A174 E178 Q179 L180	W157-A176 HydrophobicContact CZ2-CB 4.33Å; L171-A176 HydrophobicContact CB-CB 4.05Å; L171-A176 HydrophobicContact CD2-CB 3.64Å; L171-A176 HydrophobicContact CG-CB 4.44Å; L171-A176 PolarHBondContact O-N 2.77Å; A174-A176 PolarHBondContact O-N 2.9Å; A176-E178 VanDerWaalsContact C-N 3.31Å; A176-E178 PolarHBondContact O-N 2.8Å; A176-Q179 PolarHBondContact O-N 3.05Å; A176-L180 PolarHBondContact O-N 2.81Å
177	A	98	Very high	97.7	Very high	9 Å²	9	68.8 Å²	68.8	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-33.8	174.9	0	0	0	0	0	113.1	L150 R155 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.85Å; R155-A177 WeakPolarHBondContact O-CB 3.27Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; R175-A177 PolarHBondContact O-N 2.83Å; R175-A177 VanDerWaalsContact O-N 3.09Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 2.71Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 PolarHBondContact O-N 3.2Å
178	E	97.6	Very high	97.7	Very high	114 Å²	114	67.2 Å²	67.2	53%	0.533	35%	0.347	S	S	.	.	H	α-helix	trans	-63.3	-38	175.8	-63.4	178.8	-177	0	0	111.3	R175 A176 A182	R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 WeakPolarHBondContact CD-OE1 3.49Å; R175-E178 IonicContact CZ-OE1 2.74Å; R175-E178 IonicContact NE-OE1 3.42Å; R175-E178 IonicContact NH1-OE1 3.85Å; R175-E178 PolarHBondContact NH1-OE1 2.81Å; R175-E178 IonicContact NH1-OE2 2.78Å; R175-E178 WeakPolarHBondContact O-CB 3.46Å; R175-E178 PolarHBondContact O-N 2.94Å; A176-E178 VanDerWaalsContact C-N 3.31Å; A176-E178 PolarHBondContact O-N 2.8Å; E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 3Å; E178-A182 VanDerWaalsContact O-N 3.17Å
179	Q	95.9	Very high	97.7	Very high	148 Å²	148	65.6 Å²	65.6	69%	0.692	34%	0.34	S	S	*	.	H	α-helix	trans	-74.8	-44.3	179	-60.5	-177.1	2.4	0	0	112	A176 A177 A182 Y183	A176-Q179 PolarHBondContact O-N 3.05Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 2.71Å; Q179-A182 PolarHBondContact O-N 3.42Å; Q179-Y183 PolarHBondContact O-N 3.19Å
180	L	97.1	Very high	97.7	Very high	32 Å²	32	64.7 Å²	64.7	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-43.4	176.4	-73.7	166.3	0	0	0	111.2	D138 L150 W157 A176 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.16Å; D138-L180 HydrophobicContact CB-CD2 4.38Å; L150-L180 HydrophobicContact CD2-CB 4.23Å; W157-L180 HydrophobicContact CH2-CD1 3.45Å; W157-L180 VanDerWaalsContact CH2-CD1 3.45Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å; A176-L180 PolarHBondContact O-N 2.81Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.98Å; L180-Y183 WeakPolarHBondContact O-CB 3.24Å; L180-Y183 PolarHBondContact O-N 2.88Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 2.69Å
181	R	98	Very high	97.7	Very high	74 Å²	74	61.3 Å²	61.3	28%	0.279	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-42.1	174.8	-174.6	171.1	176.7	-105	-15.6	112.1	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4Å; L154-R181 HydrophobicContact CB-CG 3.73Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-R181 WeakPolarHBondContact O-CD 3.46Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 PolarHBondContact O-N 3.2Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.82Å; R181-L184 PolarHBondContact O-N 2.85Å; R181-E185 HydrophobicContact CG-CG 4.01Å; R181-E185 VanDerWaalsContact CZ-CD 3.48Å; R181-E185 IonicContact CZ-OE1 3.11Å; R181-E185 IonicContact CZ-OE2 2.73Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 2.77Å; R181-E185 PolarHBondContact NE-OE1 3.31Å; R181-E185 IonicContact NE-OE2 3.91Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH1-OE2 2.73Å; R181-E185 IonicContact NH2-OE1 3.85Å; R181-E185 PolarHBondContact NH2-OE1 2.96Å; R181-E185 IonicContact NH2-OE2 2.72Å; R181-E185 PolarHBondContact NH2-OE2 2.99Å; R181-E185 WeakPolarHBondContact O-CB 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.48Å; R181-E185 PolarHBondContact O-N 2.9Å
182	A	97.9	Very high	97.7	Very high	64 Å²	64	59.2 Å²	59.2	53%	0.529	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-36.6	175.4	0	0	0	0	0	113	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 3Å; E178-A182 VanDerWaalsContact O-N 3.17Å; Q179-A182 PolarHBondContact O-N 3.42Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.98Å; A182-G186 PolarHBondContact O-N 2.78Å
183	Y	97.1	Very high	97.6	Very high	58 Å²	58	60.7 Å²	60.7	23%	0.227	32%	0.317	C	S	.	.	I	π-helix	trans	-67.2	-45.4	171.3	167.1	-103	0	0	0	112	Q179 L180 R181 T187 C188	Q179-Y183 PolarHBondContact O-N 3.19Å; L180-Y183 WeakPolarHBondContact O-CB 3.24Å; L180-Y183 PolarHBondContact O-N 2.88Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.82Å; Y183-T187 HydrophobicContact CD2-CG2 3.95Å; Y183-T187 HydrophobicContact CE2-CG2 3.93Å; Y183-T187 PolarHBondContact O-N 2.88Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CE1-CB 4.13Å; Y183-C188 HydrophobicContact CE2-CB 4.47Å; Y183-C188 WeakPolarHBondContact O-CB 3.19Å; Y183-C188 PolarHBondContact O-N 3.2Å
184	L	98.2	Very high	97.5	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	30%	0.304	C	S	.	.	I	π-helix	trans	-71.8	-40.7	-175	-70.3	172.5	0	0	0	113.3	G124 L150 L154 L180 R181 C188 V189	G124-L184 WeakPolarHBondContact O-CD2 3.46Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD1-CB 4.48Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 2.69Å; R181-L184 PolarHBondContact O-N 2.85Å; L184-C188 HydrophobicContact CD2-CB 4.48Å; L184-V189 WeakPolarHBondContact O-CG2 3.44Å
185	E	97.6	Very high	97.5	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	28%	0.278	S	S	.	.	I	π-helix	trans	-78.9	-25.9	178.3	-67	-177.9	159.1	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.48Å; L133-E185 HydrophobicContact CD2-CG 3.75Å; L154-E185 HydrophobicContact CD1-CG 4.23Å; R181-E185 HydrophobicContact CG-CG 4.01Å; R181-E185 VanDerWaalsContact CZ-CD 3.48Å; R181-E185 IonicContact CZ-OE1 3.11Å; R181-E185 IonicContact CZ-OE2 2.73Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 2.77Å; R181-E185 PolarHBondContact NE-OE1 3.31Å; R181-E185 IonicContact NE-OE2 3.91Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH1-OE2 2.73Å; R181-E185 IonicContact NH2-OE1 3.85Å; R181-E185 PolarHBondContact NH2-OE1 2.96Å; R181-E185 IonicContact NH2-OE2 2.72Å; R181-E185 PolarHBondContact NH2-OE2 2.99Å; R181-E185 WeakPolarHBondContact O-CB 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.48Å; R181-E185 PolarHBondContact O-N 2.9Å
186	G	97.4	Very high	97.5	Very high	23 Å²	23	52.2 Å²	52.2	24%	0.237	25%	0.253	C	S	.	.	I	π-helix	trans	-107.2	-91.3	-180	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.78Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.81Å; G186-C188 VanDerWaalsContact O-N 3.15Å; G186-V189 WeakPolarHBondContact O-CB 3.48Å; G186-V189 PolarHBondContact O-N 3.48Å; G186-E190 WeakPolarHBondContact O-CG 3.43Å; G186-E190 PolarHBondContact O-N 2.63Å
187	T	97.2	Very high	97.4	Very high	50 Å²	50	57 Å²	57	31%	0.307	27%	0.273	S	S	.	.	I	π-helix	trans	-54	-39.2	-169.1	-56.6	0	0	0	0	114	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.95Å; Y183-T187 HydrophobicContact CE2-CG2 3.93Å; Y183-T187 PolarHBondContact O-N 2.88Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-E190 PolarHBondContact O-N 2.97Å; T187-W191 VanDerWaalsContact O-CD1 3.24Å; T187-W191 PolarHBondContact O-N 3.25Å
188	C	98.1	Very high	97.3	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-63.8	-48	178.7	-168.5	0	0	0	0	111.2	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.14Å; M29-C188 VanDerWaalsContact CE-O 3.22Å; M29-C188 WeakPolarHBondContact CE-O 3.29Å; M29-C188 WeakPolarHBondContact CE-SG 3.38Å; C125-C188 HydrophobicContact CB-CB 3.86Å; C125-C188 WeakPolarHBondContact CB-SG 3.43Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.38Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.47Å; Y183-C188 HydrophobicContact CE1-CB 4.13Å; Y183-C188 HydrophobicContact CE2-CB 4.47Å; Y183-C188 WeakPolarHBondContact O-CB 3.19Å; Y183-C188 PolarHBondContact O-N 3.2Å; L184-C188 HydrophobicContact CD2-CB 4.48Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.81Å; G186-C188 VanDerWaalsContact O-N 3.15Å; C188-E190 PolarHBondContact O-N 3.11Å; C188-W191 PolarHBondContact O-N 2.91Å; C188-L192 WeakPolarHBondContact O-CB 3.37Å; C188-L192 PolarHBondContact O-N 2.86Å
189	V	98.1	Very high	97.2	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-43.5	175.2	177.4	0	0	0	0	111.6	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD2-CB 4.17Å; L127-V189 HydrophobicContact CD2-CG1 3.81Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 4.1Å; L184-V189 WeakPolarHBondContact O-CG2 3.44Å; G186-V189 WeakPolarHBondContact O-CB 3.48Å; G186-V189 PolarHBondContact O-N 3.48Å; V189-R193 WeakPolarHBondContact O-CB 3.28Å; V189-R193 VanDerWaalsContact O-CG 3.28Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 2.99Å
190	E	97.8	Very high	97.1	Very high	119 Å²	119	51 Å²	51	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-63.1	-46.8	180	-69.7	171.7	157.8	0	0	112.6	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.43Å; G186-E190 PolarHBondContact O-N 2.63Å; T187-E190 PolarHBondContact O-N 2.97Å; C188-E190 PolarHBondContact O-N 3.11Å; E190-R194 PolarHBondContact O-N 3.31Å; E190-R194 VanDerWaalsContact O-N 3.12Å
191	W	97.8	Very high	96.9	Very high	43 Å²	43	58 Å²	58	16%	0.163	28%	0.277	C	S	.	.	H	α-helix	trans	-72.2	-38.9	179.9	-79.4	93.2	0	0	0	112.5	M29 Y83 T187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.19Å; M29-W191 HydrophobicContact SD-CB 4.44Å; Y83-W191 HydrophobicContact CD2-CE3 4.4Å; Y83-W191 AromaticContact CD2-CH2 3.66Å; Y83-W191 HydrophobicContact CD2-CH2 3.66Å; Y83-W191 HydrophobicContact CD2-CZ2 4.44Å; Y83-W191 AromaticContact CD2-CZ3 3.62Å; Y83-W191 HydrophobicContact CD2-CZ3 3.62Å; Y83-W191 HydrophobicContact CE2-CE3 4.11Å; Y83-W191 HydrophobicContact CE2-CH2 4.2Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; T187-W191 VanDerWaalsContact O-CD1 3.24Å; T187-W191 PolarHBondContact O-N 3.25Å; C188-W191 PolarHBondContact O-N 2.91Å; W191-R194 WeakPolarHBondContact O-CB 3.21Å; W191-R194 PolarHBondContact O-N 3.12Å; W191-Y195 HydrophobicContact CB-CE2 4.14Å; W191-Y195 HydrophobicContact CE3-CD1 4.47Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 AromaticContact CE3-CZ 3.61Å; W191-Y195 HydrophobicContact CZ3-CE1 4.08Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 PolarHBondContact O-N 3.43Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-47	174.5	173.8	50.8	0	0	0	111.6	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 3.97Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.9Å; M29-L192 HydrophobicContact CB-CG 4.18Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.18Å; L127-L192 HydrophobicContact CD1-CB 4.39Å; L127-L192 HydrophobicContact CD1-CD2 3.76Å; L127-L192 HydrophobicContact CD1-CG 3.79Å; L127-L192 HydrophobicContact CD2-CD2 4.44Å; L127-L192 HydrophobicContact CG-CD2 3.62Å; L127-L192 HydrophobicContact CG-CG 4.23Å; C188-L192 WeakPolarHBondContact O-CB 3.37Å; C188-L192 PolarHBondContact O-N 2.86Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 2.86Å; L192-Y195 PolarHBondContact O-N 2.73Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.5Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 3.39Å
193	R	96.8	Very high	96.3	Very high	123 Å²	123	53.8 Å²	53.8	46%	0.464	25%	0.252	S	S	.	.	H	α-helix	trans	-57.7	-41.2	173.6	-72.6	173.9	-175.5	162.4	0.5	112.6	L127 G131 V189 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.93Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.87Å; G131-R193 PolarHBondContact O-NH2 3.12Å; V189-R193 WeakPolarHBondContact O-CB 3.28Å; V189-R193 VanDerWaalsContact O-CG 3.28Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 2.99Å; R193-L196 PolarHBondContact O-N 2.92Å; R193-E197 PolarHBondContact O-N 3.36Å; R193-E197 VanDerWaalsContact O-N 3.16Å
194	R	97.1	Very high	96	Very high	119 Å²	119	55.4 Å²	55.4	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-44.6	176.1	178.2	178.1	174.1	119.4	-1.4	111.6	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.78Å; E79-R194 VanDerWaalsContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 2.69Å; E79-R194 PolarHBondContact OE1-NE 2.97Å; E79-R194 IonicContact OE1-NH2 3.94Å; E79-R194 PolarHBondContact OE1-NH2 3.3Å; E79-R194 IonicContact OE2-CZ 2.81Å; E79-R194 IonicContact OE2-NE 3.14Å; E79-R194 IonicContact OE2-NH2 3.69Å; E79-R194 PolarHBondContact OE2-NH2 2.69Å; E190-R194 PolarHBondContact O-N 3.31Å; E190-R194 VanDerWaalsContact O-N 3.12Å; W191-R194 WeakPolarHBondContact O-CB 3.21Å; W191-R194 PolarHBondContact O-N 3.12Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 2.86Å; R194-E197 PolarHBondContact O-N 3.36Å; R194-N198 VanDerWaalsContact O-CB 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.38Å; R194-N198 PolarHBondContact O-OD1 3.44Å
195	Y	97.5	Very high	95.6	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-39.8	177.5	-62.2	-28.4	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.49Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.35Å; V52-Y195 HydrophobicContact CG2-CD2 3.74Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; F57-Y195 HydrophobicContact CD2-CE2 4.35Å; F57-Y195 HydrophobicContact CE1-CE2 4.29Å; F57-Y195 HydrophobicContact CE2-CD2 4.35Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.73Å; F57-Y195 HydrophobicContact CZ-CD2 4.21Å; F57-Y195 AromaticContact CZ-CE2 3.54Å; F57-Y195 HydrophobicContact CZ-CE2 3.54Å; W75-Y195 HydrophobicContact CE3-CD1 4.26Å; W75-Y195 HydrophobicContact CE3-CG 4.43Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.37Å; W75-Y195 HydrophobicContact CH2-CG 4.02Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.19Å; W75-Y195 HydrophobicContact CZ3-CE1 4.32Å; W75-Y195 AromaticContact CZ3-CG 3.5Å; W75-Y195 HydrophobicContact CZ3-CG 3.5Å; V76-Y195 HydrophobicContact CG2-CE1 4.22Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.31Å; Y83-Y195 PolarHBondContact OH-OH 3.32Å; W191-Y195 HydrophobicContact CB-CE2 4.14Å; W191-Y195 HydrophobicContact CE3-CD1 4.47Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 AromaticContact CE3-CZ 3.61Å; W191-Y195 HydrophobicContact CZ3-CE1 4.08Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 PolarHBondContact O-N 3.43Å; L192-Y195 PolarHBondContact O-N 2.73Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.84Å; Y195-N198 PolarHBondContact O-N 2.97Å; Y195-G199 WeakPolarHBondContact O-CA 3.4Å; Y195-G199 PolarHBondContact O-N 2.91Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å
196	L	96.1	Very high	95.4	Very high	13 Å²	13	57.5 Å²	57.5	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-36.6	176.4	-71.2	167.3	0	0	0	112.8	H27 V52 L127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.6Å; H27-L196 HydrophobicContact CB-CD2 3.89Å; H27-L196 HydrophobicContact CB-CG 4.34Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L127-L196 HydrophobicContact CD1-CD1 4.48Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.5Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 3.39Å; R193-L196 PolarHBondContact O-N 2.92Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 2.78Å; L196-K200 VanDerWaalsContact O-N 3.17Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.28Å; L196-Q204 PolarHBondContact O-NE2 2.86Å
197	E	95.8	Very high	95.3	Very high	114 Å²	114	59 Å²	59	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-78.3	-42.2	174.5	-165.9	63.4	-161.2	0	0	111.7	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.36Å; R193-E197 VanDerWaalsContact O-N 3.16Å; R194-E197 PolarHBondContact O-N 3.36Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.84Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.45Å; E197-K200 VanDerWaalsContact CD-NZ 3.26Å; E197-K200 WeakPolarHBondContact O-CB 3.23Å; E197-K200 IonicContact OE1-NZ 3.24Å; E197-K200 PolarHBondContact OE1-NZ 2.86Å; E197-K200 IonicContact OE2-NZ 3.25Å; E197-K200 PolarHBondContact OE2-NZ 3.26Å
198	N	96.8	Very high	95.3	Very high	51 Å²	51	59.9 Å²	59.9	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-57.1	-42.6	174.4	-77.5	9.3	0	0	0	112.5	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.39Å; W75-N198 WeakPolarHBondContact CB-O 3.5Å; Q78-N198 PolarHBondContact NE2-ND2 3.02Å; Q78-N198 PolarHBondContact NE2-OD1 3.33Å; E79-N198 PolarHBondContact OE1-ND2 2.98Å; E79-N198 VanDerWaalsContact OE1-ND2 3.08Å; R194-N198 VanDerWaalsContact O-CB 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.38Å; R194-N198 PolarHBondContact O-OD1 3.44Å; Y195-N198 PolarHBondContact O-N 2.97Å
199	G	95.6	Very high	95.3	Very high	4 Å²	4	60.3 Å²	60.3	4%	0.041	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	17.5	-172.7	0	0	0	0	0	114.1	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.44Å; W75-G199 VanDerWaalsContact CG-CA 3.43Å; Y195-G199 WeakPolarHBondContact O-CA 3.4Å; Y195-G199 PolarHBondContact O-N 2.91Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.45Å; G199-E201 PolarHBondContact O-N 3.47Å; G199-T202 CarbonylContact O-C 3.47Å; G199-T202 WeakPolarHBondContact O-CA 3.12Å; G199-T202 PolarHBondContact O-N 3.11Å; G199-T202 PolarHBondContact O-OG1 2.88Å; G199-L203 PolarHBondContact O-N 2.99Å
200	K	93.6	Very high	95.3	Very high	91 Å²	91	66.7 Å²	66.7	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-46.8	-48.9	-169.9	-169.9	167.6	-157.7	148.7	0	114.8	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 2.78Å; L196-K200 VanDerWaalsContact O-N 3.17Å; E197-K200 VanDerWaalsContact CD-NZ 3.26Å; E197-K200 WeakPolarHBondContact O-CB 3.23Å; E197-K200 IonicContact OE1-NZ 3.24Å; E197-K200 PolarHBondContact OE1-NZ 2.86Å; E197-K200 IonicContact OE2-NZ 3.25Å; E197-K200 PolarHBondContact OE2-NZ 3.26Å; K200-T202 PolarHBondContact O-N 3.09Å; K200-T202 VanDerWaalsContact O-N 3.07Å; K200-Q204 HydrophobicContact CG-CB 4.44Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 WeakPolarHBondContact O-CB 3.48Å; K200-Q204 PolarHBondContact O-N 3.26Å
201	E	91.5	Very high	95.3	Very high	180 Å²	180	63.1 Å²	63.1	84%	0.841	30%	0.299	S	S	*	.	H	α-helix	trans	-63.3	-12.9	178.1	-58.4	-174.6	158.3	0	0	114	G199 R205	G199-E201 PolarHBondContact O-N 3.47Å; E201-R205 WeakPolarHBondContact O-CD 3.45Å
202	T	91	Very high	95.2	Very high	44 Å²	44	65 Å²	65	27%	0.27	31%	0.309	S	S	.	.	H	α-helix	trans	-118.1	-28.7	-177.4	63.3	0	0	0	0	114.7	W75 G199 K200	W75-T202 PolarHBondContact NE1-OG1 3.18Å; G199-T202 CarbonylContact O-C 3.47Å; G199-T202 WeakPolarHBondContact O-CA 3.12Å; G199-T202 PolarHBondContact O-N 3.11Å; G199-T202 PolarHBondContact O-OG1 2.88Å; K200-T202 PolarHBondContact O-N 3.09Å; K200-T202 VanDerWaalsContact O-N 3.07Å
203	L	92.4	Very high	95.2	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-102	-30.6	-176.2	-62.3	174.7	0	0	0	112.8	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.23Å; V52-L203 HydrophobicContact CG1-CD1 3.84Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.07Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.73Å; W75-L203 HydrophobicContact CZ2-CD2 4.01Å; W75-L203 HydrophobicContact CZ2-CG 4.27Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.28Å; G199-L203 PolarHBondContact O-N 2.99Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	90.6	Very high	95.2	Very high	91 Å²	91	62 Å²	62	43%	0.425	31%	0.305	S	S	.	.	S	Bend	trans	-100.7	30.1	177	-57.8	177	36.2	0	0	110.9	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.86Å; K200-Q204 HydrophobicContact CG-CB 4.44Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 WeakPolarHBondContact O-CB 3.48Å; K200-Q204 PolarHBondContact O-N 3.26Å
205	R	91.3	Very high	95.1	Very high	87 Å²	87	59.1 Å²	59.1	33%	0.328	30%	0.296	S	S	.	.			trans	-109.7	143.3	173.2	82.8	179.2	-167.9	-118	-1.7	109.4	E201 L203 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.45Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-E207 IonicContact CZ-OE1 3.55Å; R205-E207 IonicContact NE-OE1 2.75Å; R205-E207 PolarHBondContact NE-OE1 2.82Å; R205-E207 IonicContact NH2-OE1 3.5Å; R205-E207 PolarHBondContact NH2-OE1 3.17Å; R205-Y233 HydrophobicContact CG-CD1 4.33Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å
206	A	93.7	Very high	95	Very high	43 Å²	43	62.8 Å²	62.8	36%	0.355	31%	0.313	S	S	.	.			trans	-116.3	123.1	165.1	0	0	0	0	0	108.9	Y233 E288	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.23Å; A206-E288 HydrophobicContact CB-CG 4.4Å
207	E	95.4	Very high	94.9	Very high	55 Å²	55	66.9 Å²	66.9	26%	0.257	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-100.9	113.9	176.4	-72.8	-176.7	-101.2	0	0	109.1	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.55Å; R205-E207 IonicContact NE-OE1 2.75Å; R205-E207 PolarHBondContact NE-OE1 2.82Å; R205-E207 IonicContact NH2-OE1 3.5Å; R205-E207 PolarHBondContact NH2-OE1 3.17Å; E207-F232 WeakPolarHBondContact O-CA 3.45Å; E207-F232 VanDerWaalsContact O-CB 3.28Å; E207-F232 WeakPolarHBondContact O-CB 3.39Å; E207-Y233 PolarHBondContact N-O 3.41Å; E207-Y233 PolarHBondContact O-N 2.89Å; E207-Y233 VanDerWaalsContact O-N 3.13Å; E207-H287 PolarHBondContact O-CE1 2.91Å
208	P	96.9	Very high	94.6	Very high	67 Å²	67	66.3 Å²	66.3	44%	0.435	34%	0.341	S	S	.	.			trans	-68.6	146.3	-179.1	23.9	-31.8	0	0	0	112.4	K210 G289 L290	P208-K210 PolarHBondContact O-N 2.03Å; P208-G289 WeakPolarHBondContact CB-O 3.5Å; P208-L290 HydrophobicContact CB-CD2 3.83Å; P208-L290 HydrophobicContact CB-CG 4.5Å
209	P	97.8	Very high	94.4	Very high	10 Å²	10	66.5 Å²	66.5	7%	0.065	35%	0.346	C	S	.	.			trans	-63.6	135.5	178.9	25.8	-35.1	0	0	0	112.4	T211 A229 F232 I237 M285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.08Å; P209-T211 PolarHBondContact O-N 3.35Å; P209-A229 HydrophobicContact CB-CB 3.81Å; P209-F232 HydrophobicContact CB-CB 3.99Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.25Å; P209-I237 HydrophobicContact CB-CD1 4.32Å; P209-I237 HydrophobicContact CG-CD1 4.22Å; P209-M285 HydrophobicContact CB-SD 3.95Å; P209-M285 HydrophobicContact CG-SD 3.51Å; P209-M285 VanDerWaalsContact CG-SD 3.51Å; P209-H287 WeakPolarHBondContact CD-ND1 3.38Å; P209-H287 HydrophobicContact CG-CB 4.31Å; P209-L290 HydrophobicContact CG-CD1 4.16Å; P209-L290 HydrophobicContact CG-CD2 4.36Å; P209-L290 HydrophobicContact CG-CG 4.42Å
210	K	97.9	Very high	94.1	Very high	141 Å²	141	73.4 Å²	73.4	61%	0.613	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	109.5	163.9	-65.2	153.8	-171.1	148.9	0	107.1	P208 L230	P208-K210 PolarHBondContact O-N 2.03Å; K210-L230 WeakPolarHBondContact CB-O 3.49Å; K210-L230 PolarHBondContact N-O 2.84Å; K210-L230 PolarHBondContact O-N 3.29Å; K210-L230 VanDerWaalsContact O-N 3.11Å
211	T	97.3	Very high	94.1	Very high	43 Å²	43	75.9 Å²	75.9	26%	0.264	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.5	-170	59.8	0	0	0	0	113.1	P209 W228 M285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.08Å; P209-T211 PolarHBondContact O-N 3.35Å; T211-W228 VanDerWaalsContact CA-O 3.31Å; T211-W228 WeakPolarHBondContact CA-O 3.34Å; T211-M285 HydrophobicContact CG2-CE 3.54Å; T211-M285 HydrophobicContact CG2-SD 3.38Å; T211-M285 WeakPolarHBondContact CG2-SD 3.48Å; T211-L294 HydrophobicContact CG2-CD1 4.14Å; T211-L296 HydrophobicContact CG2-CD1 4.01Å
212	H	96.1	Very high	94.2	Very high	82 Å²	82	72 Å²	72	38%	0.38	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	157.5	167.2	63.5	-63.7	0	0	0	110.6	W228	H212-W228 VanDerWaalsContact CE1-CB 3.48Å; H212-W228 WeakPolarHBondContact CE1-CB 3.4Å; H212-W228 AromaticContact CE1-CD1 3.78Å; H212-W228 AromaticContact CE1-CG 3.58Å; H212-W228 PolarHBondContact N-O 2.83Å; H212-W228 AromaticContact NE2-CD1 3.67Å; H212-W228 AromaticContact NE2-CG 3.92Å; H212-W228 PolarHBondContact O-N 2.84Å
213	V	97.8	Very high	94.5	Very high	25 Å²	25	69.9 Å²	69.9	15%	0.152	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	173	179.8	0	0	0	0	109.1	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.48Å; V213-R226 WeakPolarHBondContact CA-O 3.01Å; V213-C227 HydrophobicContact CG2-CB 4.37Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; V213-L296 HydrophobicContact CG2-CB 4.02Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.5	Very high	94.7	Very high	37 Å²	37	70.5 Å²	70.5	23%	0.227	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140	174.3	47.2	0	0	0	0	111.8	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.7Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; T214-L225 CarbonylContact O-C 3.6Å; T214-L225 WeakPolarHBondContact O-CA 3.41Å; T214-R226 PolarHBondContact N-O 2.8Å; T214-R226 PolarHBondContact O-N 3.07Å; T214-R226 PolarHBondContact OG1-O 3Å; T214-W228 PolarHBondContact OG1-NE1 2.86Å
215	H	95.9	Very high	95.1	Very high	58 Å²	58	66.1 Å²	66.1	27%	0.269	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.7	-177.7	165.7	-85.5	0	0	0	110.1	A223 T224 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.31Å; H215-A223 WeakPolarHBondContact NE2-CB 3.38Å; H215-T224 WeakPolarHBondContact CA-O 3.49Å; H215-L225 HydrophobicContact CB-CD2 3.91Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CG-CE2 3.84Å; H215-W298 AromaticContact CG-CZ2 3.86Å
216	H	94.6	Very high	95.4	Very high	77 Å²	77	64.1 Å²	64.1	36%	0.356	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	108.7	-178.7	-52	78.7	0	0	0	109.5	T214 L218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 2.7Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; H216-L218 PolarHBondContact O-N 2.86Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 VanDerWaalsContact O-CA 3.32Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; H216-T224 PolarHBondContact N-O 2.8Å; H216-T224 PolarHBondContact O-N 3.2Å
217	P	93.8	Very high	95.6	Very high	99 Å²	99	62.1 Å²	62.1	64%	0.643	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	133.4	173.5	-21.5	31.8	0	0	0	111.3
218	L	91	Very high	95.8	Very high	103 Å²	103	62 Å²	62	54%	0.539	32%	0.32	S	S	.	.			trans	-102.9	-38.6	170.9	-61	-179.4	0	0	0	111	H216 E222 T224 V272	H216-L218 PolarHBondContact O-N 2.86Å; L218-E222 WeakPolarHBondContact CB-O 3.15Å; L218-E222 PolarHBondContact N-O 2.86Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.01Å; L218-V272 HydrophobicContact CD1-CG1 4.18Å; L218-V272 HydrophobicContact CD1-CG2 4.2Å
219	S	92	Very high	95.8	Very high	54 Å²	54	58.9 Å²	58.9	38%	0.378	30%	0.299	S	S	.	.	S	Bend	trans	-152.2	-178.7	176.4	70.5	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.07Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 3.44Å; S219-H221 VanDerWaalsContact OG-N 3.1Å; S219-E222 PolarHBondContact N-O 2.76Å; S219-E222 PolarHBondContact OG-N 2.98Å; S219-E222 VanDerWaalsContact OG-N 3.16Å
220	D	89	Confident	95.9	Very high	149 Å²	149	61 Å²	61	80%	0.797	31%	0.31	S	S	*	.	S	Bend	trans	-62.3	-16	170.1	-62.9	-31.2	0	0	0	112.8	S275	D220-S275 PolarHBondContact O-OG 3.19Å
221	H	92.8	Very high	95.8	Very high	144 Å²	144	54.9 Å²	54.9	67%	0.667	29%	0.287	S	S	*	.	S	Bend	trans	-111.3	-16.5	-173.2	-56.2	-27.4	0	0	0	114.3	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.07Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 3.44Å; S219-H221 VanDerWaalsContact OG-N 3.1Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; H221-S275 WeakPolarHBondContact CA-OG 3.22Å; H221-S275 PolarHBondContact O-N 3.02Å; H221-S275 PolarHBondContact O-OG 2.82Å
222	E	95.5	Very high	95.8	Very high	97 Å²	97	52.9 Å²	52.9	45%	0.453	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.1	-171.8	-66.1	-180	162.8	0	0	112.5	L218 S219 V272 V273 S275	L218-E222 WeakPolarHBondContact CB-O 3.15Å; L218-E222 PolarHBondContact N-O 2.86Å; S219-E222 PolarHBondContact N-O 2.76Å; S219-E222 PolarHBondContact OG-N 2.98Å; S219-E222 VanDerWaalsContact OG-N 3.16Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.37Å; E222-V273 WeakPolarHBondContact CA-O 3.28Å; E222-S275 PolarHBondContact N-OG 3.03Å
223	A	95.9	Very high	95.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.9	172.3	0	0	0	0	0	111.3	H215 H216 V272 V273	H215-A223 VanDerWaalsContact NE2-CB 3.31Å; H215-A223 WeakPolarHBondContact NE2-CB 3.38Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 VanDerWaalsContact O-CA 3.32Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; A223-V272 WeakPolarHBondContact O-CA 3.2Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 PolarHBondContact O-N 3.12Å
224	T	97.4	Very high	95.7	Very high	17 Å²	17	49 Å²	49	10%	0.104	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.5	169.3	-50.1	0	0	0	0	110.2	H215 H216 L218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.49Å; H216-T224 PolarHBondContact N-O 2.8Å; H216-T224 PolarHBondContact O-N 3.2Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.01Å; T224-A270 HydrophobicContact CG2-CB 3.84Å; T224-V271 WeakPolarHBondContact CA-O 3.46Å
225	L	98	Very high	95.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.9	161.6	-61.5	-174.4	0	0	0	108.7	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.48Å; T214-L225 CarbonylContact O-C 3.6Å; T214-L225 WeakPolarHBondContact O-CA 3.41Å; H215-L225 HydrophobicContact CB-CD2 3.91Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.72Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 3.97Å; L225-W241 HydrophobicContact CD1-CZ3 4.15Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 3.45Å; L225-V271 PolarHBondContact O-N 3.22Å; L225-V273 HydrophobicContact CD1-CG1 3.95Å; L225-V273 HydrophobicContact CD1-CG2 4.19Å; L225-V273 HydrophobicContact CG-CG1 4.01Å; L225-V273 HydrophobicContact CG-CG2 3.89Å; L225-E278 HydrophobicContact CD1-CB 4.16Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 4Å
226	R	98.2	Very high	95.7	Very high	45 Å²	45	52 Å²	52	17%	0.17	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.7	174.7	-177	176	-72.8	106.6	4.9	110.1	V213 T214 W228 E253 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.01Å; T214-R226 PolarHBondContact N-O 2.8Å; T214-R226 PolarHBondContact O-N 3.07Å; T214-R226 PolarHBondContact OG1-O 3Å; R226-W228 VanDerWaalsContact CD-CZ2 3.47Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; R226-E253 IonicContact NH2-OE2 2.67Å; R226-E253 PolarHBondContact NH2-OE2 3.13Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-W268 VanDerWaalsContact NE-CE3 3.26Å; R226-W268 VanDerWaalsContact NE-CZ3 3.25Å; R226-A269 WeakPolarHBondContact CA-O 3.43Å; R226-A270 HydrophobicContact CB-CB 3.97Å; R226-A270 HydrophobicContact CG-CB 4.05Å
227	C	98.1	Very high	95.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.8	174.8	-177.5	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.37Å; C227-W241 HydrophobicContact CB-CH2 4.36Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; C227-W268 CarbonylContact O-C 3.5Å; C227-W268 WeakPolarHBondContact O-CA 3.45Å; C227-W268 WeakPolarHBondContact O-CB 3.15Å; C227-A269 PolarHBondContact N-O 2.99Å; C227-A269 PolarHBondContact O-N 3.01Å; C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.4Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.82Å
228	W	98.4	Very high	95.9	Very high	54 Å²	54	46.9 Å²	46.9	21%	0.205	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.7	-178	-67.6	84.4	0	0	0	111.7	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.31Å; T211-W228 WeakPolarHBondContact CA-O 3.34Å; H212-W228 VanDerWaalsContact CE1-CB 3.48Å; H212-W228 WeakPolarHBondContact CE1-CB 3.4Å; H212-W228 AromaticContact CE1-CD1 3.78Å; H212-W228 AromaticContact CE1-CG 3.58Å; H212-W228 PolarHBondContact N-O 2.83Å; H212-W228 AromaticContact NE2-CD1 3.67Å; H212-W228 AromaticContact NE2-CG 3.92Å; H212-W228 PolarHBondContact O-N 2.84Å; T214-W228 PolarHBondContact OG1-NE1 2.86Å; R226-W228 VanDerWaalsContact CD-CZ2 3.47Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; W228-L230 HydrophobicContact CB-CG 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.4Å; W228-W268 HydrophobicContact CE3-CB 3.96Å; W228-W268 AromaticContact CE3-CD1 3.73Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.78Å; W228-W268 HydrophobicContact CH2-CG 4.41Å; W228-W268 HydrophobicContact CZ3-CB 4.47Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å
229	A	98.4	Very high	96.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.5	161.1	0	0	0	0	0	108.1	P209 F232 I237 L239 Q266 K267 M285	P209-A229 HydrophobicContact CB-CB 3.81Å; A229-F232 HydrophobicContact CB-CD1 3.91Å; A229-F232 HydrophobicContact CB-CE1 3.59Å; A229-F232 WeakPolarHBondContact O-CE1 3.29Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; A229-L239 HydrophobicContact CB-CD1 4.12Å; A229-L239 HydrophobicContact CB-CD2 4.4Å; A229-Q266 VanDerWaalsContact O-CA 3.32Å; A229-Q266 WeakPolarHBondContact O-CA 3.29Å; A229-K267 PolarHBondContact N-O 2.87Å; A229-K267 PolarHBondContact O-N 2.96Å; A229-M285 HydrophobicContact CB-CE 3.86Å; A229-M285 HydrophobicContact CB-SD 3.83Å
230	L	98.3	Very high	96.5	Very high	56 Å²	56	41.7 Å²	41.7	29%	0.293	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.6	-177.2	-61.8	176.8	0	0	0	111.4	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.49Å; K210-L230 PolarHBondContact N-O 2.84Å; K210-L230 PolarHBondContact O-N 3.29Å; K210-L230 VanDerWaalsContact O-N 3.11Å; W228-L230 HydrophobicContact CB-CG 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; L230-Q266 HydrophobicContact CD2-CB 3.64Å
231	G	97.6	Very high	96.9	Very high	12 Å²	12	34.7 Å²	34.7	12%	0.124	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.6	40.6	169.1	0	0	0	0	0	113.9	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.49Å; G231-F265 PolarHBondContact N-O 3.45Å
232	F	97.4	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	159.2	179.7	59.8	-92	0	0	0	113	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.45Å; E207-F232 VanDerWaalsContact O-CB 3.28Å; E207-F232 WeakPolarHBondContact O-CB 3.39Å; P209-F232 HydrophobicContact CB-CB 3.99Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.25Å; A229-F232 HydrophobicContact CB-CD1 3.91Å; A229-F232 HydrophobicContact CB-CE1 3.59Å; A229-F232 WeakPolarHBondContact O-CE1 3.29Å; F232-P234 WeakPolarHBondContact CD2-O 3.44Å; F232-I237 HydrophobicContact CD1-CD1 4.03Å; F232-I237 HydrophobicContact CD2-CB 4.46Å; F232-I237 HydrophobicContact CD2-CD1 4.02Å; F232-I237 HydrophobicContact CE1-CD1 3.88Å; F232-I237 HydrophobicContact CE2-CB 3.89Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.49Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 4.11Å; F232-I237 HydrophobicContact CZ-CB 4.28Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.6Å; F232-T257 HydrophobicContact CE2-CG2 4.03Å; F232-T257 HydrophobicContact CZ-CG2 3.87Å; F232-T264 CarbonylContact O-C 3.49Å; F232-T264 WeakPolarHBondContact O-CA 3Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.89Å; F232-F265 HydrophobicContact CE1-CB 4.33Å; F232-F265 WeakPolarHBondContact CE1-O 3.37Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.7Å; F232-F265 PolarHBondContact N-O 3.42Å; F232-F265 PolarHBondContact O-N 2.98Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.62Å
233	Y	96.2	Very high	97.2	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.016	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-155.1	137.3	175.1	178.5	-83	0	0	0	109.1	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.99Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.47Å; T55-Y233 PolarHBondContact OG1-OH 2.97Å; R205-Y233 HydrophobicContact CG-CD1 4.33Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.23Å; E207-Y233 PolarHBondContact N-O 3.41Å; E207-Y233 PolarHBondContact O-N 2.89Å; E207-Y233 VanDerWaalsContact O-N 3.13Å; Y233-G263 WeakPolarHBondContact CD2-O 3.39Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.12Å; Y233-H287 PolarHBondContact O-CE1 3.22Å
234	P	95.4	Very high	97.1	Very high	23 Å²	23	32.9 Å²	32.9	15%	0.149	17%	0.167	C	C	.	.	S	Bend	cis	-69.2	-179.7	-0	30.4	-37	0	0	0	113	D54 F232 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.45Å; F232-P234 WeakPolarHBondContact CD2-O 3.44Å; P234-H287 PolarHBondContact O-NE2 3.38Å; P234-E288 WeakPolarHBondContact CD-OE2 3.3Å; P234-E288 VanDerWaalsContact CG-OE2 3.27Å; P234-E288 WeakPolarHBondContact CG-OE2 3.4Å
235	A	96.5	Very high	96.8	Very high	13 Å²	13	34.4 Å²	34.4	11%	0.107	19%	0.186	C	C	.	.	S	Bend	trans	-75.8	-21.3	-175.4	0	0	0	0	0	114.4	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.4Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.36Å; D54-A235 WeakPolarHBondContact OD2-CB 3.2Å; D54-A235 PolarHBondContact OD2-N 3.18Å; A235-I237 PolarHBondContact O-N 2.81Å; A235-T257 HydrophobicContact CB-CG2 4.25Å; A235-T257 WeakPolarHBondContact O-CG2 3.44Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.8Å; A235-F265 HydrophobicContact CB-CE2 3.78Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.84Å
236	E	95.6	Very high	96.7	Very high	144 Å²	144	40.2 Å²	40.2	67%	0.673	21%	0.213	S	C	*	.			trans	-67.3	119.5	179.5	-174.5	48.4	-117.2	0	0	110.5	H287	E236-H287 PolarHBondContact O-CD2 3.4Å; E236-H287 VanDerWaalsContact O-CD2 3.28Å
237	I	95.9	Very high	96.6	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	129.1	-173.5	-167	169.6	0	0	0	111	P209 A229 F232 A235 L239 K267 M285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.32Å; P209-I237 HydrophobicContact CG-CD1 4.22Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; F232-I237 HydrophobicContact CD1-CD1 4.03Å; F232-I237 HydrophobicContact CD2-CB 4.46Å; F232-I237 HydrophobicContact CD2-CD1 4.02Å; F232-I237 HydrophobicContact CE1-CD1 3.88Å; F232-I237 HydrophobicContact CE2-CB 3.89Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.49Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 4.11Å; F232-I237 HydrophobicContact CZ-CB 4.28Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.6Å; A235-I237 PolarHBondContact O-N 2.81Å; I237-L239 HydrophobicContact CD1-CD1 3.74Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.34Å; I237-K267 HydrophobicContact CG2-CB 4.3Å; I237-K267 HydrophobicContact CG2-CD 3.52Å; I237-M285 HydrophobicContact CD1-CG 4.27Å; I237-M285 HydrophobicContact CD1-SD 4.18Å; I237-M285 HydrophobicContact CG1-CG 4.45Å; I237-Q286 WeakPolarHBondContact CG1-O 3.22Å; I237-H287 HydrophobicContact CD1-CB 4.08Å; I237-H287 HydrophobicContact CG1-CB 3.98Å
238	T	96.6	Very high	96.4	Very high	62 Å²	62	43 Å²	43	38%	0.38	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.7	174.4	-67	0	0	0	0	110	T240 M285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.21Å; T238-M285 WeakPolarHBondContact O-CA 3.4Å; T238-Q286 PolarHBondContact N-O 2.99Å; T238-Q286 PolarHBondContact O-N 2.94Å
239	L	97.2	Very high	96.1	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.4	170.1	-92.2	68.1	0	0	0	108.5	A229 I237 L254 K267 A269 H284 M285	A229-L239 HydrophobicContact CB-CD1 4.12Å; A229-L239 HydrophobicContact CB-CD2 4.4Å; I237-L239 HydrophobicContact CD1-CD1 3.74Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.34Å; L239-L254 HydrophobicContact CB-CD1 4.02Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-A269 HydrophobicContact CB-CB 4.13Å; L239-A269 HydrophobicContact CD2-CB 4.2Å; L239-H284 WeakPolarHBondContact CA-O 3.42Å; L239-M285 HydrophobicContact CD1-CE 3.97Å; L239-M285 HydrophobicContact CD1-CG 3.8Å; L239-M285 HydrophobicContact CD1-SD 4.15Å; L239-M285 HydrophobicContact CD2-CE 4.23Å; L239-M285 HydrophobicContact CG-CE 3.94Å; L239-M285 HydrophobicContact CG-CG 4.39Å
240	T	97.1	Very high	95.7	Very high	41 Å²	41	54.7 Å²	54.7	25%	0.252	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.3	172.6	56	0	0	0	0	111.2	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.21Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.47Å; T240-H284 PolarHBondContact N-O 3.23Å; T240-H284 PolarHBondContact O-N 3.01Å
241	W	98.1	Very high	95.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.1	167	-83.9	107.2	0	0	0	109.7	V213 L225 C227 Q248 A269 V271 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.72Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 3.97Å; L225-W241 HydrophobicContact CD1-CZ3 4.15Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; C227-W241 HydrophobicContact CB-CH2 4.36Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; W241-Q248 HydrophobicContact CB-CB 4.4Å; W241-Q248 PolarHBondContact O-N 2.75Å; W241-A269 PolarHBondContact NE1-O 3.09Å; W241-V271 HydrophobicContact CB-CB 4.45Å; W241-V271 HydrophobicContact CB-CG1 4.27Å; W241-V271 HydrophobicContact CD2-CB 4.45Å; W241-V271 HydrophobicContact CD2-CG1 3.55Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.07Å; W241-V271 HydrophobicContact CG-CG1 3.66Å; W241-V271 HydrophobicContact CZ2-CG1 4.29Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.03Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.13Å; W241-C283 HydrophobicContact CZ3-CB 3.96Å
242	Q	97.6	Very high	95.1	Very high	37 Å²	37	58.1 Å²	58.1	17%	0.173	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.8	171.1	-70.8	-172.9	-7.7	0	0	110.9	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.42Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 3.24Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; Q242-T282 PolarHBondContact N-O 3.44Å; Q242-T282 PolarHBondContact O-N 2.92Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.25Å; Q242-H284 PolarHBondContact OE1-NE2 3.02Å
243	R	97.1	Very high	95.1	Very high	72 Å²	72	63.3 Å²	63.3	27%	0.272	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118	169.5	-174.7	-168.6	63	-136.5	-12.4	108.8	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.78Å; R243-E246 PolarHBondContact N-O 2.81Å; R243-E246 IonicContact NH2-OE2 2.78Å; R243-E246 PolarHBondContact NH2-OE2 2.67Å; R243-E246 PolarHBondContact O-N 3.34Å; R243-Q248 HydrophobicContact CB-CG 3.85Å; R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.33Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.93Å; R243-Y281 HydrophobicContact CB-CG 4.49Å; R243-Y281 HydrophobicContact CG-CD1 4.38Å; R243-Y281 HydrophobicContact CG-CD2 4.25Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 3.92Å; R243-Y281 HydrophobicContact CG-CG 4.48Å
244	D	94.6	Very high	95.1	Very high	95 Å²	95	67.3 Å²	67.3	51%	0.508	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	18.5	-173.5	-43.2	-74.8	0	0	0	115	R280	D244-R280 VanDerWaalsContact CG-NH2 3.34Å; D244-R280 PolarHBondContact N-O 3.27Å; D244-R280 IonicContact OD1-CZ 2.84Å; D244-R280 IonicContact OD1-NE 3.99Å; D244-R280 PolarHBondContact OD1-NE 2.82Å; D244-R280 IonicContact OD1-NH2 3.11Å; D244-R280 PolarHBondContact OD1-NH2 3.01Å; D244-R280 IonicContact OD2-CZ 2.86Å; D244-R280 IonicContact OD2-NE 2.7Å; D244-R280 PolarHBondContact OD2-NE 3.06Å; D244-R280 IonicContact OD2-NH2 3.19Å; D244-R280 PolarHBondContact OD2-NH2 3.01Å
245	G	91.2	Very high	95.2	Very high	48 Å²	48	67.9 Å²	67.9	50%	0.495	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	101	-1.4	-174.6	0	0	0	0	0	115.8	R243	R243-G245 PolarHBondContact O-N 2.78Å
246	E	95.5	Very high	95.2	Very high	122 Å²	122	75.5 Å²	75.5	57%	0.57	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.3	174.5	-60.5	-176.4	149.5	0	0	111.4	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.42Å; R243-E246 PolarHBondContact N-O 2.81Å; R243-E246 IonicContact NH2-OE2 2.78Å; R243-E246 PolarHBondContact NH2-OE2 2.67Å; R243-E246 PolarHBondContact O-N 3.34Å; E246-Q248 PolarHBondContact O-N 2.88Å; E246-Q248 PolarHBondContact O-NE2 2.89Å
247	D	95.4	Very high	95.3	Very high	93 Å²	93	70.8 Å²	70.8	50%	0.497	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	130	176.9	-66.3	-41.3	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 3.24Å
248	Q	95.3	Very high	95.4	Very high	11 Å²	11	75.1 Å²	75.1	5%	0.051	39%	0.39	C	S	.	.			trans	-100.3	37.2	-176.8	-54.3	-61.2	-87.9	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.4Å; W241-Q248 PolarHBondContact O-N 2.75Å; R243-Q248 HydrophobicContact CB-CG 3.85Å; E246-Q248 PolarHBondContact O-N 2.88Å; E246-Q248 PolarHBondContact O-NE2 2.89Å; Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 2.85Å; Q248-Q250 VanDerWaalsContact O-N 3.15Å; Q248-D251 PolarHBondContact O-N 3.12Å; Q248-D251 VanDerWaalsContact O-N 3.09Å; Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 3.29Å; Q248-T252 VanDerWaalsContact O-N 3.16Å; Q248-T252 PolarHBondContact O-OG1 3.5Å; Q248-Y281 HydrophobicContact CG-CE1 4.28Å
249	T	90.1	Very high	95.4	Very high	104 Å²	104	76.3 Å²	76.3	64%	0.638	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.5	-166.2	-44.4	0	0	0	0	114.7
250	Q	90.4	Very high	95.4	Very high	196 Å²	196	78.3 Å²	78.3	92%	0.916	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-29.3	178	-63.2	-174.2	14.1	0	0	112.9	Q248	Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 2.85Å; Q248-Q250 VanDerWaalsContact O-N 3.15Å
251	D	88.4	Confident	95.2	Very high	114 Å²	114	80 Å²	80	61%	0.61	44%	0.443	S	S	*	.	S	Bend	trans	-94.6	5.6	-178.8	-53.8	-63.8	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.12Å; Q248-D251 VanDerWaalsContact O-N 3.09Å
252	T	95.5	Very high	95	Very high	26 Å²	26	85.3 Å²	85.3	16%	0.16	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.9	-177.6	-63.1	0	0	0	0	111.9	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 3.29Å; Q248-T252 VanDerWaalsContact O-N 3.16Å; Q248-T252 PolarHBondContact O-OG1 3.5Å; T252-L254 HydrophobicContact CG2-CB 4.31Å; T252-L254 PolarHBondContact O-N 2.76Å; T252-L254 VanDerWaalsContact O-N 3.17Å; T252-A269 HydrophobicContact CG2-CB 3.96Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 WeakPolarHBondContact CA-O 3.47Å
253	E	96.9	Very high	94.7	Very high	109 Å²	109	85.6 Å²	85.6	51%	0.509	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	96.3	163.8	-176.6	-171.6	-152.6	0	0	109.1	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 2.67Å; R226-E253 PolarHBondContact NH2-OE2 3.13Å; E253-W268 HydrophobicContact CB-CZ3 4.31Å; E253-W268 HydrophobicContact CG-CH2 3.95Å; E253-W268 HydrophobicContact CG-CZ3 3.76Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.34Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.44Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.47Å; E253-A270 HydrophobicContact CB-CB 4.32Å; E253-A270 PolarHBondContact N-O 2.94Å; E253-A270 PolarHBondContact O-N 2.86Å
254	L	96.8	Very high	94.7	Very high	88 Å²	88	82.6 Å²	82.6	46%	0.461	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.4	176.2	-175.8	70	0	0	0	110.2	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.02Å; T252-L254 HydrophobicContact CG2-CB 4.31Å; T252-L254 PolarHBondContact O-N 2.76Å; T252-L254 VanDerWaalsContact O-N 3.17Å; L254-A269 HydrophobicContact CD1-CB 3.75Å
255	V	96.9	Very high	94.9	Very high	35 Å²	35	79.3 Å²	79.3	21%	0.212	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-85.9	153.6	175.4	-63.5	0	0	0	0	112.8	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 WeakPolarHBondContact O-CE 3.44Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 3.07Å; V255-W268 HydrophobicContact CG1-CD2 4.05Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.73Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.14Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.84Å; V255-W268 WeakPolarHBondContact CG2-O 3.18Å; V255-W268 PolarHBondContact N-O 3.17Å
256	E	96.9	Very high	95.2	Very high	172 Å²	172	79 Å²	79	80%	0.804	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-54.5	148.3	165.4	-66.7	-177.5	166.4	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.25Å
257	T	97.9	Very high	95.4	Very high	46 Å²	46	74.2 Å²	74.2	28%	0.282	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-71.5	128.5	174.3	-54.3	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.03Å; F232-T257 HydrophobicContact CZ-CG2 3.87Å; A235-T257 HydrophobicContact CB-CG2 4.25Å; A235-T257 WeakPolarHBondContact O-CG2 3.44Å; T257-F265 HydrophobicContact CG2-CB 3.86Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.22Å; T257-K267 WeakPolarHBondContact OG1-CD 3.5Å; T257-K267 PolarHBondContact OG1-NZ 2.8Å
258	R	97.6	Very high	95.5	Very high	97 Å²	97	71 Å²	71	37%	0.366	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.8	-175	70.7	-163.8	-176.9	-166.6	2	110.9	E256 Q266	E256-R258 PolarHBondContact O-N 3.25Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 3.43Å; R258-Q266 VanDerWaalsContact NE-CD 3.27Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.04Å
259	P	97.4	Very high	95.6	Very high	87 Å²	87	70.4 Å²	70.4	57%	0.565	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	152.1	177.1	27.6	-34.7	0	0	0	111.6	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.39Å; P259-F265 HydrophobicContact CB-CE1 4.13Å; P259-Q266 PolarHBondContact O-NE2 2.75Å; P259-Q266 VanDerWaalsContact O-NE2 3.17Å
260	A	96.8	Very high	96	Very high	50 Å²	50	65.6 Å²	65.6	41%	0.413	37%	0.367	S	S	.	.			trans	-89.8	-22.8	169.1	0	0	0	0	0	112.4	T264 Q266	A260-T264 WeakPolarHBondContact CB-O 3.32Å; A260-T264 PolarHBondContact N-O 3.13Å; A260-Q266 HydrophobicContact CB-CG 4.45Å
261	G	93.6	Very high	96.4	Very high	76 Å²	76	56.4 Å²	56.4	78%	0.784	32%	0.324	S	S	*	.	S	Bend	trans	100.9	-6.1	177.6	0	0	0	0	0	115.1
262	D	92.9	Very high	96.8	Very high	114 Å²	114	54.2 Å²	54.2	61%	0.61	32%	0.315	S	S	*	.	S	Bend	trans	-100.6	4.2	175	57	7.6	0	0	0	113.4	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.48Å; D262-T264 PolarHBondContact OD1-N 3.34Å; D262-T264 PolarHBondContact OD1-OG1 3.15Å; D262-T264 PolarHBondContact OD2-OG1 3.06Å
263	G	91.9	Very high	96.8	Very high	43 Å²	43	53 Å²	53	44%	0.443	31%	0.307	S	S	.	.	S	Bend	trans	100.4	-10.3	-172.1	0	0	0	0	0	113.9	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.39Å
264	T	96.8	Very high	96.8	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.055	30%	0.298	C	S	.	.			trans	-98.8	171.7	176.7	74.1	0	0	0	0	112.7	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.49Å; F232-T264 CarbonylContact O-C 3.49Å; F232-T264 WeakPolarHBondContact O-CA 3Å; A260-T264 WeakPolarHBondContact CB-O 3.32Å; A260-T264 PolarHBondContact N-O 3.13Å; D262-T264 WeakPolarHBondContact OD1-CB 3.48Å; D262-T264 PolarHBondContact OD1-N 3.34Å; D262-T264 PolarHBondContact OD1-OG1 3.15Å; D262-T264 PolarHBondContact OD2-OG1 3.06Å
265	F	98.2	Very high	96.6	Very high	25 Å²	25	48.4 Å²	48.4	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	164.4	-176.9	-66.5	-85.3	0	0	0	112.9	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.68Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 3.45Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.89Å; F232-F265 HydrophobicContact CE1-CB 4.33Å; F232-F265 WeakPolarHBondContact CE1-O 3.37Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.7Å; F232-F265 PolarHBondContact N-O 3.42Å; F232-F265 PolarHBondContact O-N 2.98Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.12Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.8Å; A235-F265 HydrophobicContact CB-CE2 3.78Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.84Å; T257-F265 HydrophobicContact CG2-CB 3.86Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.22Å; P259-F265 HydrophobicContact CB-CD1 4.39Å; P259-F265 HydrophobicContact CB-CE1 4.13Å
266	Q	98.3	Very high	96.3	Very high	41 Å²	41	49.9 Å²	49.9	19%	0.192	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.1	177.8	38.7	161.6	-25.9	0	0	110.2	A229 L230 R258 P259 A260	A229-Q266 VanDerWaalsContact O-CA 3.32Å; A229-Q266 WeakPolarHBondContact O-CA 3.29Å; L230-Q266 HydrophobicContact CD2-CB 3.64Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 3.43Å; R258-Q266 VanDerWaalsContact NE-CD 3.27Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.04Å; P259-Q266 PolarHBondContact O-NE2 2.75Å; P259-Q266 VanDerWaalsContact O-NE2 3.17Å; A260-Q266 HydrophobicContact CB-CG 4.45Å
267	K	98.5	Very high	96.2	Very high	22 Å²	22	45 Å²	45	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.6	177.6	-160.9	-176.3	-169.7	66.8	0	109.2	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 2.87Å; A229-K267 PolarHBondContact O-N 2.96Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.3Å; I237-K267 HydrophobicContact CG2-CD 3.52Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 WeakPolarHBondContact O-CE 3.44Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 3.07Å; T257-K267 WeakPolarHBondContact OG1-CD 3.5Å; T257-K267 PolarHBondContact OG1-NZ 2.8Å
268	W	98.3	Very high	96.1	Very high	25 Å²	25	43.7 Å²	43.7	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158	168.4	55.4	-96.1	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-W268 VanDerWaalsContact NE-CE3 3.26Å; R226-W268 VanDerWaalsContact NE-CZ3 3.25Å; C227-W268 CarbonylContact O-C 3.5Å; C227-W268 WeakPolarHBondContact O-CA 3.45Å; C227-W268 WeakPolarHBondContact O-CB 3.15Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.4Å; W228-W268 HydrophobicContact CE3-CB 3.96Å; W228-W268 AromaticContact CE3-CD1 3.73Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.78Å; W228-W268 HydrophobicContact CH2-CG 4.41Å; W228-W268 HydrophobicContact CZ3-CB 4.47Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å; E253-W268 HydrophobicContact CB-CZ3 4.31Å; E253-W268 HydrophobicContact CG-CH2 3.95Å; E253-W268 HydrophobicContact CG-CZ3 3.76Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.34Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.44Å; V255-W268 HydrophobicContact CG1-CD2 4.05Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.73Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.14Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.84Å; V255-W268 WeakPolarHBondContact CG2-O 3.18Å; V255-W268 PolarHBondContact N-O 3.17Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
269	A	98.2	Very high	95.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.8	172.4	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.43Å; C227-A269 PolarHBondContact N-O 2.99Å; C227-A269 PolarHBondContact O-N 3.01Å; L239-A269 HydrophobicContact CB-CB 4.13Å; L239-A269 HydrophobicContact CD2-CB 4.2Å; W241-A269 PolarHBondContact NE1-O 3.09Å; T252-A269 HydrophobicContact CG2-CB 3.96Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.47Å; L254-A269 HydrophobicContact CD1-CB 3.75Å
270	A	97.9	Very high	95.8	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.8	176.9	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.84Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; R226-A270 HydrophobicContact CB-CB 3.97Å; R226-A270 HydrophobicContact CG-CB 4.05Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 WeakPolarHBondContact CA-O 3.47Å; E253-A270 HydrophobicContact CB-CB 4.32Å; E253-A270 PolarHBondContact N-O 2.94Å; E253-A270 PolarHBondContact O-N 2.86Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
271	V	97.9	Very high	95.9	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.2	177.7	63.1	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.46Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 3.45Å; L225-V271 PolarHBondContact O-N 3.22Å; W241-V271 HydrophobicContact CB-CB 4.45Å; W241-V271 HydrophobicContact CB-CG1 4.27Å; W241-V271 HydrophobicContact CD2-CB 4.45Å; W241-V271 HydrophobicContact CD2-CG1 3.55Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.07Å; W241-V271 HydrophobicContact CG-CG1 3.66Å; W241-V271 HydrophobicContact CZ2-CG1 4.29Å; V271-V273 HydrophobicContact CG1-CG1 3.86Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.28Å; V271-Y281 HydrophobicContact CG2-CE1 3.93Å
272	V	97.5	Very high	96.1	Very high	69 Å²	69	41 Å²	41	42%	0.418	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129	171.8	-178.6	0	0	0	0	108.4	L218 E222 A223	L218-V272 HydrophobicContact CD1-CG1 4.18Å; L218-V272 HydrophobicContact CD1-CG2 4.2Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.37Å; A223-V272 WeakPolarHBondContact O-CA 3.2Å
273	V	96.7	Very high	96.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.9	-176.5	-49.2	0	0	0	0	110.3	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.28Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 PolarHBondContact O-N 3.12Å; L225-V273 HydrophobicContact CD1-CG1 3.95Å; L225-V273 HydrophobicContact CD1-CG2 4.19Å; L225-V273 HydrophobicContact CG-CG1 4.01Å; L225-V273 HydrophobicContact CG-CG2 3.89Å; V271-V273 HydrophobicContact CG1-CG1 3.86Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CB-CG 4.49Å; V273-Y281 HydrophobicContact CG1-CD1 3.69Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.68Å; V273-Y281 HydrophobicContact CG1-CE2 3.61Å; V273-Y281 HydrophobicContact CG1-CG 3.63Å
274	P	96.3	Very high	96.5	Very high	47 Å²	47	36.2 Å²	36.2	31%	0.305	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	140.7	171.5	-19.2	32.3	0	0	0	111.6	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; P274-G276 PolarHBondContact O-N 2.88Å; P274-Q277 HydrophobicContact CB-CB 4.44Å; P274-Q277 HydrophobicContact CB-CG 4.24Å; P274-Q277 WeakPolarHBondContact O-CB 3.48Å; P274-Q277 PolarHBondContact O-N 3.21Å
275	S	92.4	Very high	96.5	Very high	52 Å²	52	35.8 Å²	35.8	36%	0.364	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	130.7	175.6	-60.6	0	0	0	0	111.8	D220 H221 E222 Q277 E278	D220-S275 PolarHBondContact O-OG 3.19Å; H221-S275 WeakPolarHBondContact CA-OG 3.22Å; H221-S275 PolarHBondContact O-N 3.02Å; H221-S275 PolarHBondContact O-OG 2.82Å; E222-S275 PolarHBondContact N-OG 3.03Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-E278 WeakPolarHBondContact CA-OE1 3.49Å
276	G	91.1	Very high	96.4	Very high	67 Å²	67	38.1 Å²	38.1	69%	0.691	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	4.2	-177.9	0	0	0	0	0	115	P274 E278	P274-G276 PolarHBondContact O-N 2.88Å; G276-E278 WeakPolarHBondContact CA-OE2 3.29Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.89Å; G276-E278 PolarHBondContact N-OE2 3.42Å; G276-E278 VanDerWaalsContact N-OE2 3.16Å
277	Q	94.7	Very high	96.3	Very high	68 Å²	68	36.4 Å²	36.4	32%	0.318	20%	0.198	S	C	.	.			trans	-110.3	5.4	174.5	-60.4	-164.8	56.9	0	0	113.5	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.44Å; P274-Q277 HydrophobicContact CB-CG 4.24Å; P274-Q277 WeakPolarHBondContact O-CB 3.48Å; P274-Q277 PolarHBondContact O-N 3.21Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 3.34Å; Q277-Q279 VanDerWaalsContact O-N 3.15Å; Q277-R280 WeakPolarHBondContact O-CB 3.22Å; Q277-R280 PolarHBondContact O-N 3.16Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.49Å
278	E	94.6	Very high	96	Very high	20 Å²	20	38.6 Å²	38.6	9%	0.093	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-56.4	-36.6	-173.2	-53.5	78.9	-172.6	0	0	112.3	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.16Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.49Å; G276-E278 WeakPolarHBondContact CA-OE2 3.29Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.89Å; G276-E278 PolarHBondContact N-OE2 3.42Å; G276-E278 VanDerWaalsContact N-OE2 3.16Å; E278-R280 PolarHBondContact O-N 3.39Å; E278-Y281 PolarHBondContact O-N 3.38Å; E278-Y281 VanDerWaalsContact O-N 3.08Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	94.1	Very high	95.7	Very high	107 Å²	107	38.5 Å²	38.5	50%	0.5	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-69.8	-10.7	179.4	-60.3	-57	-35.5	0	0	114.4	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 3.34Å; Q277-Q279 VanDerWaalsContact O-N 3.15Å; Q279-Y281 VanDerWaalsContact C-N 3.33Å; Q279-W298 PolarHBondContact NE2-O 3.43Å
280	R	96.1	Very high	95.5	Very high	110 Å²	110	39.4 Å²	39.4	42%	0.415	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-82.4	-15.7	172	-58.5	177.6	69.3	-176.5	5.9	112.3	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.33Å; D244-R280 VanDerWaalsContact CG-NH2 3.34Å; D244-R280 PolarHBondContact N-O 3.27Å; D244-R280 IonicContact OD1-CZ 2.84Å; D244-R280 IonicContact OD1-NE 3.99Å; D244-R280 PolarHBondContact OD1-NE 2.82Å; D244-R280 IonicContact OD1-NH2 3.11Å; D244-R280 PolarHBondContact OD1-NH2 3.01Å; D244-R280 IonicContact OD2-CZ 2.86Å; D244-R280 IonicContact OD2-NE 2.7Å; D244-R280 PolarHBondContact OD2-NE 3.06Å; D244-R280 IonicContact OD2-NH2 3.19Å; D244-R280 PolarHBondContact OD2-NH2 3.01Å; Q277-R280 WeakPolarHBondContact O-CB 3.22Å; Q277-R280 PolarHBondContact O-N 3.16Å; E278-R280 PolarHBondContact O-N 3.39Å
281	Y	97.3	Very high	95.2	Very high	12 Å²	12	49 Å²	49	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.1	-177	-70.7	-102.4	0	0	0	110.6	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.93Å; R243-Y281 HydrophobicContact CB-CG 4.49Å; R243-Y281 HydrophobicContact CG-CD1 4.38Å; R243-Y281 HydrophobicContact CG-CD2 4.25Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 3.92Å; R243-Y281 HydrophobicContact CG-CG 4.48Å; Q248-Y281 HydrophobicContact CG-CE1 4.28Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.28Å; V271-Y281 HydrophobicContact CG2-CE1 3.93Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CB-CG 4.49Å; V273-Y281 HydrophobicContact CG1-CD1 3.69Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.68Å; V273-Y281 HydrophobicContact CG1-CE2 3.61Å; V273-Y281 HydrophobicContact CG1-CG 3.63Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.49Å; E278-Y281 PolarHBondContact O-N 3.38Å; E278-Y281 VanDerWaalsContact O-N 3.08Å; Q279-Y281 VanDerWaalsContact C-N 3.33Å
282	T	97.7	Very high	95	Very high	24 Å²	24	56.2 Å²	56.2	15%	0.147	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.7	178.7	49.1	0	0	0	0	110.2	Q242 H284 T295	Q242-T282 PolarHBondContact N-O 3.44Å; Q242-T282 PolarHBondContact O-N 2.92Å; T282-H284 WeakPolarHBondContact CB-NE2 3.5Å; T282-H284 PolarHBondContact OG1-NE2 3.19Å; T282-T295 HydrophobicContact CG2-CG2 4Å
283	C	97.9	Very high	94.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.2	171.5	173.7	0	0	0	0	109.1	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.4Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.82Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.47Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.03Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.13Å; W241-C283 HydrophobicContact CZ3-CB 3.96Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; C283-L296 HydrophobicContact CB-CB 4.24Å; C283-L296 PolarHBondContact N-O 3.17Å; C283-L296 PolarHBondContact O-N 2.79Å
284	H	97.2	Very high	94.8	Very high	57 Å²	57	59 Å²	59	26%	0.264	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.7	176.8	-67.3	-98.8	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.42Å; T240-H284 PolarHBondContact N-O 3.23Å; T240-H284 PolarHBondContact O-N 3.01Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.25Å; Q242-H284 PolarHBondContact OE1-NE2 3.02Å; T282-H284 WeakPolarHBondContact CB-NE2 3.5Å; T282-H284 PolarHBondContact OG1-NE2 3.19Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 VanDerWaalsContact CE1-CG2 3.43Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.46Å; H284-T295 PolarHBondContact CE1-OG1 2.85Å; H284-T295 VanDerWaalsContact CE1-OG1 3.29Å; H284-T295 PolarHBondContact ND1-OG1 3.28Å
285	M	96.5	Very high	94.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.4	-171.5	-168.7	176.8	-56	0	0	112.4	P209 T211 A229 I237 T238 L239 L290 P293 L294 L296	P209-M285 HydrophobicContact CB-SD 3.95Å; P209-M285 HydrophobicContact CG-SD 3.51Å; P209-M285 VanDerWaalsContact CG-SD 3.51Å; T211-M285 HydrophobicContact CG2-CE 3.54Å; T211-M285 HydrophobicContact CG2-SD 3.38Å; T211-M285 WeakPolarHBondContact CG2-SD 3.48Å; A229-M285 HydrophobicContact CB-CE 3.86Å; A229-M285 HydrophobicContact CB-SD 3.83Å; I237-M285 HydrophobicContact CD1-CG 4.27Å; I237-M285 HydrophobicContact CD1-SD 4.18Å; I237-M285 HydrophobicContact CG1-CG 4.45Å; T238-M285 WeakPolarHBondContact O-CA 3.4Å; L239-M285 HydrophobicContact CD1-CE 3.97Å; L239-M285 HydrophobicContact CD1-CG 3.8Å; L239-M285 HydrophobicContact CD1-SD 4.15Å; L239-M285 HydrophobicContact CD2-CE 4.23Å; L239-M285 HydrophobicContact CG-CE 3.94Å; L239-M285 HydrophobicContact CG-CG 4.39Å; M285-L290 HydrophobicContact CG-CD1 4.49Å; M285-P293 CarbonylContact O-C 3.56Å; M285-P293 WeakPolarHBondContact O-CA 3.3Å; M285-L294 HydrophobicContact CB-CB 4.37Å; M285-L294 PolarHBondContact N-O 2.95Å; M285-L294 PolarHBondContact O-N 3.38Å; M285-L296 HydrophobicContact CE-CD1 4.07Å
286	Q	96.4	Very high	94.9	Very high	74 Å²	74	59.5 Å²	59.5	35%	0.346	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.1	178.7	-54.2	-179.8	20.5	0	0	109.8	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.22Å; T238-Q286 PolarHBondContact N-O 2.99Å; T238-Q286 PolarHBondContact O-N 2.94Å; Q286-P293 HydrophobicContact CG-CB 4.05Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	95.3	Very high	95.1	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.023	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	143	-172.8	-179.5	-98.8	0	0	0	112.5	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.23Å; W23-H287 WeakPolarHBondContact CZ3-O 3.38Å; E207-H287 PolarHBondContact O-CE1 2.91Å; P209-H287 WeakPolarHBondContact CD-ND1 3.38Å; P209-H287 HydrophobicContact CG-CB 4.31Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.62Å; Y233-H287 PolarHBondContact O-CE1 3.22Å; P234-H287 PolarHBondContact O-NE2 3.38Å; E236-H287 PolarHBondContact O-CD2 3.4Å; E236-H287 VanDerWaalsContact O-CD2 3.28Å; I237-H287 HydrophobicContact CD1-CB 4.08Å; I237-H287 HydrophobicContact CG1-CB 3.98Å; H287-G289 PolarHBondContact CE1-N 3.04Å; H287-G289 PolarHBondContact ND1-N 2.83Å; H287-G289 PolarHBondContact O-N 2.81Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 3.01Å
288	E	92.1	Very high	95.1	Very high	68 Å²	68	58 Å²	58	32%	0.318	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-27.6	-49.3	173.5	169.4	-92.3	-146.9	0	0	115	W23 C25 A206 P234 L290	W23-E288 HydrophobicContact CD2-CB 4.31Å; W23-E288 HydrophobicContact CE3-CB 3.63Å; W23-E288 HydrophobicContact CE3-CG 4.04Å; W23-E288 HydrophobicContact CH2-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CB 3.64Å; W23-E288 HydrophobicContact CZ3-CG 4.36Å; W23-E288 WeakPolarHBondContact CZ3-O 3.44Å; C25-E288 PolarHBondContact SG-OE1 2.61Å; A206-E288 HydrophobicContact CB-CG 4.4Å; P234-E288 WeakPolarHBondContact CD-OE2 3.3Å; P234-E288 VanDerWaalsContact CG-OE2 3.27Å; P234-E288 WeakPolarHBondContact CG-OE2 3.4Å; E288-L290 PolarHBondContact O-N 2.81Å
289	G	92.6	Very high	94.8	Very high	23 Å²	23	64.5 Å²	64.5	24%	0.237	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.1	-172.3	0	0	0	0	0	116.2	P208 H287	P208-G289 WeakPolarHBondContact CB-O 3.5Å; H287-G289 PolarHBondContact CE1-N 3.04Å; H287-G289 PolarHBondContact ND1-N 2.83Å; H287-G289 PolarHBondContact O-N 2.81Å
290	L	94.3	Very high	94.1	Very high	19 Å²	19	62.2 Å²	62.2	10%	0.099	32%	0.317	C	S	.	.			trans	-95.9	130.3	-172.7	-62.5	174.7	0	0	0	111.8	W23 P208 P209 M285 H287 E288 E292 L294	W23-L290 HydrophobicContact CH2-CB 4.37Å; W23-L290 WeakPolarHBondContact CH2-O 3.43Å; W23-L290 WeakPolarHBondContact CZ3-O 3.37Å; P208-L290 HydrophobicContact CB-CD2 3.83Å; P208-L290 HydrophobicContact CB-CG 4.5Å; P209-L290 HydrophobicContact CG-CD1 4.16Å; P209-L290 HydrophobicContact CG-CD2 4.36Å; P209-L290 HydrophobicContact CG-CG 4.42Å; M285-L290 HydrophobicContact CG-CD1 4.49Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 3.01Å; E288-L290 PolarHBondContact O-N 2.81Å; L290-E292 VanDerWaalsContact C-N 3.33Å; L290-E292 PolarHBondContact O-N 3.05Å; L290-L294 HydrophobicContact CD1-CD1 4.08Å; L290-L294 HydrophobicContact CD1-CG 4.01Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	Q	91.3	Very high	92.6	Very high	202 Å²	202	61.9 Å²	61.9	94%	0.944	33%	0.332	S	S	*	.	S	Bend	trans	-69.5	-31.5	176.9	-66.5	-178.2	-4.1	0	0	113
292	E	92.4	Very high	90.3	Very high	155 Å²	155	66.2 Å²	66.2	72%	0.724	36%	0.364	S	S	*	.	S	Bend	trans	-142.8	152.1	174.7	-64.8	-175.4	172	0	0	108.5	L290 L294	L290-E292 VanDerWaalsContact C-N 3.33Å; L290-E292 PolarHBondContact O-N 3.05Å; E292-L294 PolarHBondContact O-N 2.85Å
293	P	94.3	Very high	87.8	Confident	72 Å²	72	72.6 Å²	72.6	47%	0.468	39%	0.392	S	S	.	.			trans	-54.1	132.5	173.6	-28.1	36.9	0	0	0	112.6	M285 Q286	M285-P293 CarbonylContact O-C 3.56Å; M285-P293 WeakPolarHBondContact O-CA 3.3Å; Q286-P293 HydrophobicContact CG-CB 4.05Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	95.3	Very high	85.2	Confident	57 Å²	57	77.6 Å²	77.6	30%	0.298	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.7	177.6	-68	178.2	0	0	0	111	T211 H284 M285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.14Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; M285-L294 HydrophobicContact CB-CB 4.37Å; M285-L294 PolarHBondContact N-O 2.95Å; M285-L294 PolarHBondContact O-N 3.38Å; L290-L294 HydrophobicContact CD1-CD1 4.08Å; L290-L294 HydrophobicContact CD1-CG 4.01Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; E292-L294 PolarHBondContact O-N 2.85Å
295	T	96.7	Very high	83	Confident	75 Å²	75	81.3 Å²	81.3	46%	0.46	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	167.9	-51.5	0	0	0	0	109.1	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; H284-T295 VanDerWaalsContact CE1-CG2 3.43Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.46Å; H284-T295 PolarHBondContact CE1-OG1 2.85Å; H284-T295 VanDerWaalsContact CE1-OG1 3.29Å; H284-T295 PolarHBondContact ND1-OG1 3.28Å
296	L	96	Very high	81.1	Confident	34 Å²	34	86.2 Å²	86.2	18%	0.178	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.1	-170.7	-61.3	163.6	0	0	0	110.9	T211 V213 C283 M285	T211-L296 HydrophobicContact CG2-CD1 4.01Å; V213-L296 HydrophobicContact CG2-CB 4.02Å; C283-L296 HydrophobicContact CB-CB 4.24Å; C283-L296 PolarHBondContact N-O 3.17Å; C283-L296 PolarHBondContact O-N 2.79Å; M285-L296 HydrophobicContact CE-CD1 4.07Å
297	S	94.1	Very high	79.1	Confident	55 Å²	55	86.7 Å²	86.7	39%	0.385	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-91.6	166.7	168.1	-58.2	0	0	0	0	110.9	E299	S297-E299 PolarHBondContact O-N 2.92Å
298	W	94.7	Very high	77.5	Confident	48 Å²	48	92.1 Å²	92.1	18%	0.182	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-77.1	116.2	165.5	169.3	58.5	0	0	0	110.8	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CG-CE2 3.84Å; H215-W298 AromaticContact CG-CZ2 3.86Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 4Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 3.43Å; W298-P300 HydrophobicContact CE3-CG 4.29Å; W298-P300 HydrophobicContact CH2-CB 4.17Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.2Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å
299	E	87.7	Confident	75.7	Confident	157 Å²	157	96.6 Å²	96.6	73%	0.734	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-87.5	120.4	170.1	-163.3	73.4	-131.2	0	0	109.5	S297 S301	S297-E299 PolarHBondContact O-N 2.92Å; E299-S301 PolarHBondContact O-N 2.67Å
300	P	80.8	Confident	74.5	Confident	60 Å²	60	97.6 Å²	97.6	39%	0.39	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-61.2	130.7	172.2	-21.5	33.6	0	0	0	110.4	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.29Å; W298-P300 HydrophobicContact CH2-CB 4.17Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.2Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å; P300-S302 PolarHBondContact O-N 2.73Å
301	S	63.9	Low	73.5	Confident	103 Å²	103	101.3 Å²	101.3	72%	0.72	57%	0.566	S	S	*	*			trans	-55.9	98	-176.8	175.8	0	0	0	0	112	E299 Q303	E299-S301 PolarHBondContact O-N 2.67Å; S301-Q303 PolarHBondContact O-N 3.38Å
302	S	48.4	Very low	72.7	Confident	103 Å²	103	95.9 Å²	95.9	72%	0.72	55%	0.546	S	S	*	.			trans	-78.3	59.4	175.6	51.8	0	0	0	0	110.7	P300 P304	P300-S302 PolarHBondContact O-N 2.73Å; S302-P304 WeakPolarHBondContact O-CD 3.49Å
303	Q	45.4	Very low	71.8	Confident	158 Å²	158	91 Å²	91	74%	0.738	53%	0.532	S	S	*	.			trans	-54.8	116.3	159.6	-77.7	-168.5	-5.3	0	0	107.3	S301 T305	S301-Q303 PolarHBondContact O-N 3.38Å; Q303-T305 PolarHBondContact O-N 2.94Å
304	P	43.8	Very low	71.1	Confident	105 Å²	105	89.2 Å²	89.2	68%	0.682	53%	0.527	S	S	*	.			trans	-65	114.4	172.7	27	-31.7	0	0	0	106.3	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.49Å; P304-I306 HydrophobicContact CB-CG1 4.46Å; P304-I306 HydrophobicContact CG-CG1 4.49Å; P304-I306 PolarHBondContact O-N 2.75Å
305	T	50.8	Low	70.6	Confident	135 Å²	135	91.3 Å²	91.3	83%	0.828	54%	0.538	S	S	*	.			trans	-68.8	75	167.8	-53.5	0	0	0	0	107.6	Q303 P307	Q303-T305 PolarHBondContact O-N 2.94Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å; T305-P307 VanDerWaalsContact O-N 3.1Å
306	I	56	Low	69.9	Low	102 Å²	102	90.3 Å²	90.3	52%	0.523	54%	0.538	S	S	.	.			trans	-50.6	120.7	170.7	-63.4	174.6	0	0	0	104.9	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.46Å; P304-I306 HydrophobicContact CG-CG1 4.49Å; P304-I306 PolarHBondContact O-N 2.75Å; I306-I308 HydrophobicContact CG2-CG1 4.2Å; I306-I308 PolarHBondContact O-N 3.1Å; I306-I311 HydrophobicContact CG2-CD1 4.11Å
307	P	55.3	Low	69.3	Low	85 Å²	85	92.8 Å²	92.8	55%	0.552	55%	0.554	S	S	*	*			trans	-77.3	70.5	-173.2	30.7	-35.2	0	0	0	109.3	T305 M309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.35Å; T305-P307 VanDerWaalsContact O-N 3.1Å; P307-M309 PolarHBondContact O-N 3.5Å; P307-G310 CarbonylContact O-C 3.58Å; P307-G310 WeakPolarHBondContact O-CA 3.04Å; P307-G310 PolarHBondContact O-N 2.72Å; P307-I311 PolarHBondContact O-N 2.74Å
308	I	61.3	Low	68.9	Low	118 Å²	118	95.6 Å²	95.6	61%	0.605	56%	0.564	S	S	*	*	H	α-helix	trans	-53.6	-41	178.1	-65.7	166.8	0	0	0	109.1	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.2Å; I306-I308 PolarHBondContact O-N 3.1Å; I308-G310 VanDerWaalsContact C-N 3.33Å; I308-G310 PolarHBondContact O-N 2.9Å; I308-I311 PolarHBondContact O-N 2.92Å; I308-V312 HydrophobicContact CG2-CG2 4.34Å; I308-V312 WeakPolarHBondContact O-CB 3.49Å; I308-V312 VanDerWaalsContact O-CG2 3.25Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 2.76Å
309	M	55.7	Low	68.4	Low	163 Å²	163	97.8 Å²	97.8	80%	0.803	58%	0.582	S	S	*	*	H	α-helix	trans	-62.3	-35.3	173.7	-173.5	161	61.1	0	0	113.3	P307 A313	P307-M309 PolarHBondContact O-N 3.5Å; M309-A313 VanDerWaalsContact O-CB 3.23Å; M309-A313 WeakPolarHBondContact O-CB 3.49Å; M309-A313 PolarHBondContact O-N 3.49Å
310	G	66.1	Low	68.2	Low	44 Å²	44	94.3 Å²	94.3	45%	0.454	57%	0.572	S	S	.	*	H	α-helix	trans	-71.5	-39.9	174.2	0	0	0	0	0	112.9	P307 I308 A313 G314	P307-G310 CarbonylContact O-C 3.58Å; P307-G310 WeakPolarHBondContact O-CA 3.04Å; P307-G310 PolarHBondContact O-N 2.72Å; I308-G310 VanDerWaalsContact C-N 3.33Å; I308-G310 PolarHBondContact O-N 2.9Å; G310-A313 PolarHBondContact O-N 3.36Å; G310-G314 PolarHBondContact O-N 3.41Å
311	I	73.2	Confident	68.3	Low	96 Å²	96	96.4 Å²	96.4	49%	0.492	58%	0.579	S	S	.	*	H	α-helix	trans	-65.2	-45.7	174.8	-63.5	169.4	0	0	0	110.2	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.11Å; P307-I311 PolarHBondContact O-N 2.74Å; I308-I311 PolarHBondContact O-N 2.92Å; I311-G314 PolarHBondContact O-N 3.34Å; I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 WeakPolarHBondContact O-CB 3.45Å; I311-L315 WeakPolarHBondContact O-CG 3.28Å; I311-L315 PolarHBondContact O-N 2.68Å
312	V	74.3	Confident	69.2	Low	89 Å²	89	94.6 Å²	94.6	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-63.1	-43.1	176.3	169.4	0	0	0	0	111.4	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.34Å; I308-V312 WeakPolarHBondContact O-CB 3.49Å; I308-V312 VanDerWaalsContact O-CG2 3.25Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 2.76Å; V312-L315 PolarHBondContact O-N 3.02Å; V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 3.39Å
313	A	74.2	Confident	70.9	Confident	52 Å²	52	93.9 Å²	93.9	43%	0.43	56%	0.561	S	S	.	*	H	α-helix	trans	-63	-44.2	175.1	0	0	0	0	0	112.2	M309 G310 A316 V317	M309-A313 VanDerWaalsContact O-CB 3.23Å; M309-A313 WeakPolarHBondContact O-CB 3.49Å; M309-A313 PolarHBondContact O-N 3.49Å; G310-A313 PolarHBondContact O-N 3.36Å; A313-A316 PolarHBondContact O-N 3.02Å; A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 2.91Å
314	G	80.4	Confident	72.6	Confident	35 Å²	35	91 Å²	91	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-61.6	-43.5	176.4	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.41Å; I311-G314 PolarHBondContact O-N 3.34Å; G314-V317 PolarHBondContact O-N 2.8Å; G314-L318 WeakPolarHBondContact O-CG 3.22Å; G314-L318 PolarHBondContact O-N 2.68Å
315	L	84	Confident	74.3	Confident	101 Å²	101	87.6 Å²	87.6	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-64.3	-42.3	174.7	-73.9	169.7	0	0	0	112.1	I311 V312 V317 L318 V319	I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 WeakPolarHBondContact O-CB 3.45Å; I311-L315 WeakPolarHBondContact O-CG 3.28Å; I311-L315 PolarHBondContact O-N 2.68Å; V312-L315 PolarHBondContact O-N 3.02Å; L315-V317 PolarHBondContact O-N 3.05Å; L315-L318 PolarHBondContact O-N 3.08Å; L315-V319 WeakPolarHBondContact O-CG2 3.47Å; L315-V319 PolarHBondContact O-N 3.26Å
316	A	81.9	Confident	75.6	Confident	54 Å²	54	84 Å²	84	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-43.7	176.4	0	0	0	0	0	111.9	V312 A313 V319 V320	V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 3.39Å; A313-A316 PolarHBondContact O-N 3.02Å; A316-V319 PolarHBondContact O-N 3.35Å; A316-V320 WeakPolarHBondContact O-CG2 3.36Å; A316-V320 PolarHBondContact O-N 3.31Å
317	V	84.6	Confident	76.7	Confident	86 Å²	86	82.8 Å²	82.8	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-63.2	-43	175.4	171	0	0	0	0	111.4	A313 G314 L315 V319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 2.91Å; G314-V317 PolarHBondContact O-N 2.8Å; L315-V317 PolarHBondContact O-N 3.05Å; V317-V319 PolarHBondContact O-N 3.21Å; V317-V320 PolarHBondContact O-N 2.94Å; V317-L321 HydrophobicContact CG1-CD1 3.84Å; V317-L321 HydrophobicContact CG1-CG 4.35Å; V317-L321 WeakPolarHBondContact O-CB 3.39Å; V317-L321 VanDerWaalsContact O-CG 3.3Å; V317-L321 WeakPolarHBondContact O-CG 3.3Å; V317-L321 PolarHBondContact O-N 3.22Å
318	L	84	Confident	77.7	Confident	113 Å²	113	82.7 Å²	82.7	59%	0.592	51%	0.514	S	S	*	.	H	α-helix	trans	-61.2	-42.3	175.8	-80.5	166.1	0	0	0	112.6	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CG 3.22Å; G314-L318 PolarHBondContact O-N 2.68Å; L315-L318 PolarHBondContact O-N 3.08Å; L318-L321 PolarHBondContact O-N 3.06Å; L318-A322 WeakPolarHBondContact O-CB 3.39Å; L318-A322 PolarHBondContact O-N 2.77Å
319	V	84.3	Confident	78.3	Confident	94 Å²	94	81.2 Å²	81.2	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-64.2	-44.1	176	170.9	0	0	0	0	111.1	L315 A316 V317 L321 A322 V323	L315-V319 WeakPolarHBondContact O-CG2 3.47Å; L315-V319 PolarHBondContact O-N 3.26Å; A316-V319 PolarHBondContact O-N 3.35Å; V317-V319 PolarHBondContact O-N 3.21Å; V319-L321 PolarHBondContact O-N 3.25Å; V319-A322 PolarHBondContact O-N 3.32Å; V319-V323 WeakPolarHBondContact O-CG2 3.42Å; V319-V323 PolarHBondContact O-N 3.04Å
320	V	83.9	Confident	79	Confident	84 Å²	84	76.1 Å²	76.1	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-61.7	-44.4	176.3	169.7	0	0	0	0	111.4	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.36Å; A316-V320 PolarHBondContact O-N 3.31Å; V317-V320 PolarHBondContact O-N 2.94Å; V320-A322 PolarHBondContact O-N 3.37Å; V320-V323 PolarHBondContact O-N 3.17Å; V320-L324 HydrophobicContact CG1-CD1 3.9Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.17Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.3Å; V320-L324 PolarHBondContact O-N 2.92Å
321	L	83.9	Confident	79.2	Confident	105 Å²	105	80.1 Å²	80.1	55%	0.55	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-40.1	176.7	-71.8	170.6	0	0	0	112.3	V317 L318 V319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.84Å; V317-L321 HydrophobicContact CG1-CG 4.35Å; V317-L321 WeakPolarHBondContact O-CB 3.39Å; V317-L321 VanDerWaalsContact O-CG 3.3Å; V317-L321 WeakPolarHBondContact O-CG 3.3Å; V317-L321 PolarHBondContact O-N 3.22Å; L318-L321 PolarHBondContact O-N 3.06Å; V319-L321 PolarHBondContact O-N 3.25Å; L321-L324 PolarHBondContact O-N 3.19Å; L321-G325 PolarHBondContact O-N 3.48Å
322	A	82.1	Confident	79	Confident	65 Å²	65	81.8 Å²	81.8	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-43.2	175.9	0	0	0	0	0	112.1	L318 V319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.39Å; L318-A322 PolarHBondContact O-N 2.77Å; V319-A322 PolarHBondContact O-N 3.32Å; V320-A322 PolarHBondContact O-N 3.37Å; A322-G325 PolarHBondContact O-N 3.28Å; A322-A326 WeakPolarHBondContact O-CB 3.39Å; A322-A326 PolarHBondContact O-N 3.3Å
323	V	82.9	Confident	78.4	Confident	87 Å²	87	81.4 Å²	81.4	53%	0.527	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-44.7	175.6	171.1	0	0	0	0	111.2	V319 V320 A326 V327	V319-V323 WeakPolarHBondContact O-CG2 3.42Å; V319-V323 PolarHBondContact O-N 3.04Å; V320-V323 PolarHBondContact O-N 3.17Å; V323-A326 PolarHBondContact O-N 3.46Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 3.09Å
324	L	81.3	Confident	77.7	Confident	98 Å²	98	88.8 Å²	88.8	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-62.4	-43.7	176.2	-71.5	170.7	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.9Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.17Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.3Å; V320-L324 PolarHBondContact O-N 2.92Å; L321-L324 PolarHBondContact O-N 3.19Å; L324-A326 PolarHBondContact O-N 2.85Å; L324-V327 PolarHBondContact O-N 2.68Å; L324-V328 WeakPolarHBondContact O-CG2 3.35Å; L324-V328 PolarHBondContact O-N 3.3Å
325	G	80.1	Confident	76.6	Confident	34 Å²	34	97.5 Å²	97.5	35%	0.351	55%	0.549	S	S	.	.	H	α-helix	trans	-60.6	-42.1	174.8	0	0	0	0	0	112.9	L321 A322 T329	L321-G325 PolarHBondContact O-N 3.48Å; A322-G325 PolarHBondContact O-N 3.28Å; G325-T329 WeakPolarHBondContact O-CB 3.28Å; G325-T329 PolarHBondContact O-N 3.14Å; G325-T329 PolarHBondContact O-OG1 2.68Å
326	A	78.3	Confident	75	Confident	59 Å²	59	101.4 Å²	101.4	49%	0.488	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-42.7	174.4	0	0	0	0	0	112.3	A322 V323 L324 T329 A330	A322-A326 WeakPolarHBondContact O-CB 3.39Å; A322-A326 PolarHBondContact O-N 3.3Å; V323-A326 PolarHBondContact O-N 3.46Å; L324-A326 PolarHBondContact O-N 2.85Å; A326-T329 PolarHBondContact O-N 3.29Å; A326-A330 WeakPolarHBondContact O-CB 3.46Å; A326-A330 PolarHBondContact O-N 2.72Å
327	V	78.8	Confident	73.5	Confident	77 Å²	77	103.3 Å²	103.3	47%	0.467	57%	0.572	S	S	.	*	H	α-helix	trans	-64.2	-45.8	176.8	169.2	0	0	0	0	111.5	V323 L324 T329 A330 M331	V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 3.09Å; L324-V327 PolarHBondContact O-N 2.68Å; V327-T329 VanDerWaalsContact C-N 3.34Å; V327-T329 PolarHBondContact O-N 3Å; V327-A330 PolarHBondContact O-N 2.9Å; V327-M331 HydrophobicContact CG1-CG 4.38Å; V327-M331 WeakPolarHBondContact O-CB 3.13Å; V327-M331 WeakPolarHBondContact O-CG 3.33Å; V327-M331 PolarHBondContact O-N 3.29Å
328	V	77.2	Confident	71.9	Confident	83 Å²	83	104.2 Å²	104.2	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-60.6	-44.4	175.1	170.6	0	0	0	0	110.7	L324 M331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.35Å; L324-V328 PolarHBondContact O-N 3.3Å; V328-M331 PolarHBondContact O-N 2.88Å; V328-M332 HydrophobicContact CG1-CG 4.49Å; V328-M332 HydrophobicContact CG1-SD 4.12Å; V328-M332 WeakPolarHBondContact O-CG 3.46Å; V328-M332 PolarHBondContact O-N 3.09Å
329	T	72.5	Confident	69.8	Low	87 Å²	87	101.9 Å²	101.9	53%	0.534	59%	0.585	S	S	.	*	H	α-helix	trans	-61.8	-46.7	177.6	-56.4	0	0	0	0	111.5	G325 A326 V327 M331 M332 C333	G325-T329 WeakPolarHBondContact O-CB 3.28Å; G325-T329 PolarHBondContact O-N 3.14Å; G325-T329 PolarHBondContact O-OG1 2.68Å; A326-T329 PolarHBondContact O-N 3.29Å; V327-T329 VanDerWaalsContact C-N 3.34Å; V327-T329 PolarHBondContact O-N 3Å; T329-M331 VanDerWaalsContact C-N 3.34Å; T329-M331 PolarHBondContact O-N 3.28Å; T329-M332 PolarHBondContact O-N 3.14Å; T329-C333 WeakPolarHBondContact O-CB 3.45Å; T329-C333 PolarHBondContact O-N 2.98Å; T329-C333 PolarHBondContact O-SG 3.4Å; T329-C333 VanDerWaalsContact O-SG 3.38Å
330	A	71.6	Confident	67.5	Low	56 Å²	56	101.1 Å²	101.1	46%	0.463	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-37.9	176.4	0	0	0	0	0	112.6	A326 V327 R334	A326-A330 WeakPolarHBondContact O-CB 3.46Å; A326-A330 PolarHBondContact O-N 2.72Å; V327-A330 PolarHBondContact O-N 2.9Å; A330-R334 WeakPolarHBondContact O-CB 3.34Å; A330-R334 WeakPolarHBondContact O-CG 3.24Å; A330-R334 PolarHBondContact O-N 2.93Å
331	M	70.1	Confident	65.1	Low	128 Å²	128	107.4 Å²	107.4	63%	0.631	62%	0.617	S	S	*	*	H	α-helix	trans	-66	-41.9	174.2	-74.1	-112.9	-77.9	0	0	112.2	V327 V328 T329 R334 R335	V327-M331 HydrophobicContact CG1-CG 4.38Å; V327-M331 WeakPolarHBondContact O-CB 3.13Å; V327-M331 WeakPolarHBondContact O-CG 3.33Å; V327-M331 PolarHBondContact O-N 3.29Å; V328-M331 PolarHBondContact O-N 2.88Å; T329-M331 VanDerWaalsContact C-N 3.34Å; T329-M331 PolarHBondContact O-N 3.28Å; M331-R334 PolarHBondContact O-N 2.91Å; M331-R335 PolarHBondContact O-N 2.85Å
332	M	69	Low	62.7	Low	131 Å²	131	106.4 Å²	106.4	65%	0.645	63%	0.632	S	S	*	*	H	α-helix	trans	-66.5	-41.3	175.3	-71	-177.8	75.4	0	0	111.8	V328 T329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.49Å; V328-M332 HydrophobicContact CG1-SD 4.12Å; V328-M332 WeakPolarHBondContact O-CG 3.46Å; V328-M332 PolarHBondContact O-N 3.09Å; T329-M332 PolarHBondContact O-N 3.14Å; M332-R335 PolarHBondContact O-N 3.34Å; M332-K336 WeakPolarHBondContact O-CB 2.97Å; M332-K336 PolarHBondContact O-N 2.85Å
333	C	61.8	Low	60.4	Low	81 Å²	81	107.3 Å²	107.3	55%	0.547	65%	0.647	S	S	.	*	H	α-helix	trans	-60.5	-45.7	172.1	-72	0	0	0	0	111.8	T329 R335 K336 S337	T329-C333 WeakPolarHBondContact O-CB 3.45Å; T329-C333 PolarHBondContact O-N 2.98Å; T329-C333 PolarHBondContact O-SG 3.4Å; T329-C333 VanDerWaalsContact O-SG 3.38Å; C333-R335 PolarHBondContact O-N 2.68Å; C333-K336 PolarHBondContact O-N 3.4Å; C333-K336 VanDerWaalsContact O-N 3.1Å; C333-S337 PolarHBondContact O-N 3.13Å; C333-S337 PolarHBondContact O-OG 3.17Å
334	R	59.2	Low	58.1	Low	206 Å²	206	108.8 Å²	108.8	78%	0.777	66%	0.661	S	S	*	*	H	α-helix	trans	-63.9	-35.7	175.9	-81.2	-175.2	166	-171.9	-3.7	113.5	A330 M331 K336 S337	A330-R334 WeakPolarHBondContact O-CB 3.34Å; A330-R334 WeakPolarHBondContact O-CG 3.24Å; A330-R334 PolarHBondContact O-N 2.93Å; M331-R334 PolarHBondContact O-N 2.91Å; R334-K336 VanDerWaalsContact C-N 3.34Å; R334-S337 WeakPolarHBondContact CA-OG 3.41Å; R334-S337 PolarHBondContact O-OG 3.18Å
335	R	56.9	Low	55.8	Low	218 Å²	218	109 Å²	109	82%	0.823	67%	0.669	S	S	*	*	H	α-helix	trans	-68	-31.2	171.2	-106.1	-177	171.5	177.4	-2.2	112.8	M331 M332 C333 S338	M331-R335 PolarHBondContact O-N 2.85Å; M332-R335 PolarHBondContact O-N 3.34Å; C333-R335 PolarHBondContact O-N 2.68Å; R335-S338 PolarHBondContact O-OG 3.06Å
336	K	50	Low	53.7	Low	183 Å²	183	112.4 Å²	112.4	80%	0.796	69%	0.688	S	S	*	*	H	α-helix	trans	-83.1	-20.9	179.2	-161.4	167.7	-176.7	178	0	113.2	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 2.97Å; M332-K336 PolarHBondContact O-N 2.85Å; C333-K336 PolarHBondContact O-N 3.4Å; C333-K336 VanDerWaalsContact O-N 3.1Å; R334-K336 VanDerWaalsContact C-N 3.34Å
337	S	51.3	Low	51.6	Low	95 Å²	95	117.9 Å²	117.9	66%	0.664	70%	0.704	S	S	*	*	S	Bend	trans	-82.7	-3.5	177.2	57.7	0	0	0	0	115.2	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.13Å; C333-S337 PolarHBondContact O-OG 3.17Å; R334-S337 WeakPolarHBondContact CA-OG 3.41Å; R334-S337 PolarHBondContact O-OG 3.18Å; S337-G339 PolarHBondContact O-N 2.74Å
338	S	49.9	Very low	49.6	Very low	104 Å²	104	118.7 Å²	118.7	73%	0.727	72%	0.718	S	S	*	*	S	Bend	trans	-92.1	24.9	-177.8	72.9	0	0	0	0	114.7	R335	R335-S338 PolarHBondContact O-OG 3.06Å
339	G	40	Very low	47.3	Very low	65 Å²	65	119.6 Å²	119.6	67%	0.67	74%	0.735	S	S	*	*	S	Bend	trans	-171.1	131.7	174.2	0	0	0	0	0	115.2	S337	S337-G339 PolarHBondContact O-N 2.74Å
340	G	36.7	Very low	45.6	Very low	77 Å²	77	121.8 Å²	121.8	79%	0.794	75%	0.752	S	S	*	*			trans	102.8	46.6	150.8	0	0	0	0	0	120.5
341	K	34.6	Very low	43.8	Very low	217 Å²	217	124.9 Å²	124.9	94%	0.943	77%	0.771	S	S	*	*				26.4	111.8	129.9	-173.2	178.5	-176.7	176.7	0	119.5
342	G	33.5	Very low	42.3	Very low	84 Å²	84	126.9 Å²	126.9	87%	0.866	78%	0.784	S	S	*	*			trans	125.3	142.4	141.6	0	0	0	0	0	118.9
343	G	32.2	Very low	40.9	Very low	83 Å²	83	126.4 Å²	126.4	86%	0.856	79%	0.794	S	S	*	*			trans	130.8	135.5	164.7	0	0	0	0	0	116.5
344	S	35.5	Very low	39.8	Very low	118 Å²	118	127.2 Å²	127.2	83%	0.825	81%	0.806	S	S	*	*			trans	-170.3	165.6	175.5	-156	0	0	0	0	109
345	C	33.3	Very low	38.8	Very low	102 Å²	102	127 Å²	127	69%	0.689	81%	0.814	S	S	*	*			cis	-128.8	-149.5	1.6	-144.9	0	0	0	0	108.2
346	S	34.7	Very low	37.5	Very low	107 Å²	107	119.8 Å²	119.8	75%	0.748	81%	0.807	S	S	*	*			cis	-140.7	131.9	8.8	-67.5	0	0	0	0	108.3
347	Q	35.9	Very low	37	Very low	173 Å²	173	116.5 Å²	116.5	81%	0.808	81%	0.807	S	S	*	*				65.8	100	83.4	-166.2	171.3	0.3	0	0	116.6
348	A	34.8	Very low	36.3	Very low	94 Å²	94	118.7 Å²	118.7	78%	0.777	81%	0.811	S	S	*	*			trans	53	129.3	142.3	0	0	0	0	0	122.8
349	A	31	Very low	35.4	Very low	103 Å²	103	121.6 Å²	121.6	85%	0.851	81%	0.814	S	S	*	*			trans	-146.6	131.6	132.3	0	0	0	0	0	109.4
350	C	36	Very low	35	Very low	133 Å²	133	122.5 Å²	122.5	90%	0.899	81%	0.81	S	S	*	*			trans	-91.4	152.1	166.2	-62.5	0	0	0	0	109.3
351	S	33.2	Very low	34.9	Very low	121 Å²	121	125.7 Å²	125.7	85%	0.846	81%	0.808	S	S	*	*			trans	-136.5	117.9	164.1	36.3	0	0	0	0	109.9
352	N	38.1	Very low	34.9	Very low	169 Å²	169	121.8 Å²	121.8	90%	0.904	80%	0.796	S	S	*	*			trans	-153.5	115.4	175.2	-151.6	19.8	0	0	0	106.6
353	S	40.2	Very low	34.8	Very low	122 Å²	122	124.7 Å²	124.7	85%	0.853	80%	0.797	S	S	*	*			trans	-156.4	143.6	178.7	46.1	0	0	0	0	110.3
354	A	40	Very low	34.9	Very low	97 Å²	97	126.1 Å²	126.1	80%	0.802	79%	0.793	S	S	*	*			trans	-146.7	146.3	-174.1	0	0	0	0	0	110.7
355	Q	37.1	Very low	34.9	Very low	202 Å²	202	130.1 Å²	130.1	94%	0.944	80%	0.795	S	S	*	*			trans	-175.4	139.3	164.9	-105.6	159.6	-8.1	0	0	107.3
356	G	30.3	Very low	35	Very low	67 Å²	67	133 Å²	133	69%	0.691	83%	0.827	S	S	*	*			cis	163.6	160.9	-8.4	0	0	0	0	0	110.8
357	S	38	Very low	35	Very low	113 Å²	113	134.4 Å²	134.4	79%	0.79	83%	0.831	S	S	*	*			trans	56.9	149.9	153.4	-66.9	0	0	0	0	120.7
358	D	36.8	Very low	35	Very low	141 Å²	141	132.3 Å²	132.3	75%	0.754	83%	0.832	S	S	*	*			cis	-165.1	176.4	-17.9	-113	-57.6	0	0	0	109.4
359	E	32	Very low	35	Very low	166 Å²	166	134.4 Å²	134.4	78%	0.776	84%	0.835	S	S	*	*			trans	69.7	138.2	168	-66.8	-146.8	71	0	0	118.9
360	S	32	Very low	35.2	Very low	84 Å²	84	136.3 Å²	136.3	59%	0.587	83%	0.834	S	S	*	*				82.4	134.9	58.6	125.2	0	0	0	0	112.2
361	L	34.3	Very low	35.1	Very low	143 Å²	143	136.5 Å²	136.5	75%	0.749	83%	0.83	S	S	*	*			cis	-152.4	156.8	9.9	-99.3	157.5	0	0	0	112.8
362	I	34	Very low	35.3	Very low	136 Å²	136	137.5 Å²	137.5	70%	0.697	83%	0.829	S	S	*	*			trans	18.8	127.5	146.9	-61.5	172.3	0	0	0	120.8
363	T	31.7	Very low	35.1	Very low	144 Å²	144	135.3 Å²	135.3	88%	0.883	82%	0.823	S	S	*	*				-163.2	160.3	121.1	7.5	0	0	0	0	112.7
364	C	33.8	Very low	34.7	Very low	114 Å²	114	136.3 Å²	136.3	77%	0.77	82%	0.821	S	S	*	*			trans	-122.7	156.5	-170.7	-63.6	0	0	0	0	112.7
365	K	35.2	Very low	34.2	Very low	201 Å²	201	139.6 Å²	139.6	87%	0.874	82%	0.823	S	S	*	*			trans	42.1	125.5	153.4	-77.9	-170.9	169.6	-171.5	0	119.9
366	A	35.7	Very low	34	Very low	164 Å²	164	133.9 Å²	133.9	100%	1.355	81%	0.812	S	S	*	*				-103.3	0	104.5	0	0	0	0	0	107.5

Retrieved 366 of 366 residues in 1549.7 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).