A0A061DD14_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A061DD14, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 363 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	42.4	Very low	46.8	Very low	200 Å²	200	125.1 Å²	125.1	100%	1.212	67%	0.672	S	S	*	*				0	123.4	0	179.4	0	0	0	0	107.5
2	M	39.5	Very low	46.4	Very low	184 Å²	184	123 Å²	123	91%	0.906	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-90.2	128.1	171.6	-76.6	-179.6	-79.3	0	0	108.7
3	A	39	Very low	46.3	Very low	68 Å²	68	116.2 Å²	116.2	56%	0.562	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-66.7	138.9	163.6	0	0	0	0	0	108.7	R5	A3-R5 PolarHBondContact O-N 2.95Å
4	P	54.5	Low	46.2	Very low	77 Å²	77	111 Å²	111	50%	0.5	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-64.7	135.8	178.5	24.9	-31.1	0	0	0	110.1	T6 L7 L8	P4-T6 PolarHBondContact O-N 3.42Å; P4-T6 VanDerWaalsContact O-N 3.11Å; P4-L7 HydrophobicContact CG-CB 4.02Å; P4-L7 WeakPolarHBondContact O-CB 3.44Å; P4-L7 PolarHBondContact O-N 3.12Å; P4-L8 PolarHBondContact O-N 3.13Å
5	R	48.9	Very low	45.8	Very low	216 Å²	216	110.5 Å²	110.5	82%	0.815	61%	0.611	S	S	*	*	H	α-helix	trans	-55.7	-31.6	-174.6	-81.6	177.7	164.6	154.6	-6.2	113.4	A3 L8 L9	A3-R5 PolarHBondContact O-N 2.95Å; R5-L8 PolarHBondContact O-N 2.65Å; R5-L9 WeakPolarHBondContact O-CG 3.45Å; R5-L9 PolarHBondContact O-N 2.81Å
6	T	51.8	Low	45.4	Very low	97 Å²	97	106.8 Å²	106.8	60%	0.595	60%	0.599	S	S	*	*	H	α-helix	trans	-61.1	-43.3	173.8	38.9	0	0	0	0	112.8	P4 L8 L9 L10	P4-T6 PolarHBondContact O-N 3.42Å; P4-T6 VanDerWaalsContact O-N 3.11Å; T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 2.92Å; T6-L9 PolarHBondContact O-N 2.9Å; T6-L10 WeakPolarHBondContact O-CG 3.28Å; T6-L10 PolarHBondContact O-N 3.01Å
7	L	47.9	Very low	45.2	Very low	93 Å²	93	104.9 Å²	104.9	49%	0.487	59%	0.587	S	S	.	*	H	α-helix	trans	-65.4	-37.9	177.1	-162.2	83.8	0	0	0	111.2	P4 L11	P4-L7 HydrophobicContact CG-CB 4.02Å; P4-L7 WeakPolarHBondContact O-CB 3.44Å; P4-L7 PolarHBondContact O-N 3.12Å; L7-L11 HydrophobicContact CD2-CD1 4.47Å; L7-L11 HydrophobicContact CG-CD1 4.29Å; L7-L11 WeakPolarHBondContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CD1 3.32Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.42Å; L7-L11 PolarHBondContact O-N 2.87Å
8	L	45.1	Very low	44.9	Very low	100 Å²	100	103.4 Å²	103.4	52%	0.524	58%	0.581	S	S	.	*	H	α-helix	trans	-66.7	-39.5	175.9	-164.8	73.3	0	0	0	111.8	P4 R5 T6 L12	P4-L8 PolarHBondContact O-N 3.13Å; R5-L8 PolarHBondContact O-N 2.65Å; T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 2.92Å; L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 WeakPolarHBondContact O-CD1 3.33Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 3.41Å
9	L	53.1	Low	44.6	Very low	120 Å²	120	106.7 Å²	106.7	63%	0.628	59%	0.591	S	S	*	*	H	α-helix	trans	-68.5	-40.6	176.1	-72.9	166.3	0	0	0	112.3	R5 T6 L12 G13	R5-L9 WeakPolarHBondContact O-CG 3.45Å; R5-L9 PolarHBondContact O-N 2.81Å; T6-L9 PolarHBondContact O-N 2.9Å; L9-L12 PolarHBondContact O-N 2.78Å; L9-G13 PolarHBondContact O-N 3.37Å
10	L	49.8	Very low	44.7	Very low	125 Å²	125	106.3 Å²	106.3	65%	0.654	59%	0.591	S	S	*	*	H	α-helix	trans	-64.4	-42.5	173.9	-72.8	168	0	0	0	111.6	T6 G13 A14	T6-L10 WeakPolarHBondContact O-CG 3.28Å; T6-L10 PolarHBondContact O-N 3.01Å; L10-G13 PolarHBondContact O-N 3.22Å; L10-A14 WeakPolarHBondContact O-CB 3.14Å; L10-A14 PolarHBondContact O-N 3.02Å
11	L	43	Very low	44.9	Very low	96 Å²	96	104.2 Å²	104.2	50%	0.503	58%	0.575	S	S	.	*	H	α-helix	trans	-64	-39.4	174.1	-76.5	165.7	0	0	0	112.2	L7 L15	L7-L11 HydrophobicContact CD2-CD1 4.47Å; L7-L11 HydrophobicContact CG-CD1 4.29Å; L7-L11 WeakPolarHBondContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CD1 3.32Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.42Å; L7-L11 PolarHBondContact O-N 2.87Å; L11-L15 VanDerWaalsContact O-CB 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 WeakPolarHBondContact O-CD1 3.2Å; L11-L15 VanDerWaalsContact O-CG 3.22Å; L11-L15 WeakPolarHBondContact O-CG 3.34Å; L11-L15 PolarHBondContact O-N 2.91Å
12	L	41.3	Very low	45.7	Very low	100 Å²	100	97.3 Å²	97.3	52%	0.524	54%	0.539	S	S	.	.	H	α-helix	trans	-67.6	-38.6	175	-76.8	165.4	0	0	0	112.3	L8 L9 A16	L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 WeakPolarHBondContact O-CD1 3.33Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 2.78Å; L12-A16 VanDerWaalsContact O-CB 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 3.14Å
13	G	44.9	Very low	47.5	Very low	34 Å²	34	89.7 Å²	89.7	35%	0.351	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-46.4	174.4	0	0	0	0	0	112.5	L9 L10 A16 L17	L9-G13 PolarHBondContact O-N 3.37Å; L10-G13 PolarHBondContact O-N 3.22Å; G13-A16 PolarHBondContact O-N 2.96Å; G13-L17 WeakPolarHBondContact O-CD1 3.41Å; G13-L17 PolarHBondContact O-N 3.26Å
14	A	45	Very low	50	Low	44 Å²	44	88.9 Å²	88.9	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.2	0	0	0	0	0	111.9	L10 A16 L17 T18	L10-A14 WeakPolarHBondContact O-CB 3.14Å; L10-A14 PolarHBondContact O-N 3.02Å; A14-A16 PolarHBondContact O-N 3.1Å; A14-L17 PolarHBondContact O-N 3.5Å; A14-T18 WeakPolarHBondContact O-CG2 3.4Å; A14-T18 PolarHBondContact O-N 3.09Å; A14-T18 PolarHBondContact O-OG1 2.88Å
15	L	40.3	Very low	52	Low	104 Å²	104	86.8 Å²	86.8	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-60.4	-45	174.7	-78.9	166.6	0	0	0	111.5	L11 L17 T18 Q19	L11-L15 VanDerWaalsContact O-CB 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 WeakPolarHBondContact O-CD1 3.2Å; L11-L15 VanDerWaalsContact O-CG 3.22Å; L11-L15 WeakPolarHBondContact O-CG 3.34Å; L11-L15 PolarHBondContact O-N 2.91Å; L15-L17 PolarHBondContact O-N 2.95Å; L15-T18 WeakPolarHBondContact CA-OG1 3.32Å; L15-T18 PolarHBondContact O-N 2.93Å; L15-T18 PolarHBondContact O-OG1 3.07Å; L15-Q19 WeakPolarHBondContact O-CB 3.23Å; L15-Q19 PolarHBondContact O-N 3.28Å
16	A	40.4	Very low	54.4	Low	50 Å²	50	77.6 Å²	77.6	41%	0.413	45%	0.45	S	S	.	.	H	α-helix	trans	-58.7	-45.5	177.9	0	0	0	0	0	112.3	L12 G13 A14 Q19 T20	L12-A16 VanDerWaalsContact O-CB 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 3.14Å; G13-A16 PolarHBondContact O-N 2.96Å; A14-A16 PolarHBondContact O-N 3.1Å; A16-Q19 PolarHBondContact O-N 2.78Å; A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 2.83Å; A16-T20 VanDerWaalsContact O-N 3.11Å; A16-T20 PolarHBondContact O-OG1 2.71Å
17	L	40.8	Very low	56.6	Low	76 Å²	76	73 Å²	73	40%	0.398	42%	0.421	S	S	.	.	H	α-helix	trans	-61.2	-49	173.6	-92.2	77.8	0	0	0	111.6	G13 A14 L15 Q19 T20 W21	G13-L17 WeakPolarHBondContact O-CD1 3.41Å; G13-L17 PolarHBondContact O-N 3.26Å; A14-L17 PolarHBondContact O-N 3.5Å; L15-L17 PolarHBondContact O-N 2.95Å; L17-Q19 PolarHBondContact O-N 3.46Å; L17-Q19 VanDerWaalsContact O-N 3.09Å; L17-T20 PolarHBondContact O-N 3.02Å; L17-T20 PolarHBondContact O-OG1 3.18Å; L17-W21 HydrophobicContact CD2-CZ2 4.41Å; L17-W21 PolarHBondContact O-N 2.79Å
18	T	40.9	Very low	59	Low	77 Å²	77	70.8 Å²	70.8	47%	0.472	41%	0.407	S	S	.	.	H	α-helix	trans	-62	-21.7	179.2	56.9	0	0	0	0	113.6	A14 L15	A14-T18 WeakPolarHBondContact O-CG2 3.4Å; A14-T18 PolarHBondContact O-N 3.09Å; A14-T18 PolarHBondContact O-OG1 2.88Å; L15-T18 WeakPolarHBondContact CA-OG1 3.32Å; L15-T18 PolarHBondContact O-N 2.93Å; L15-T18 PolarHBondContact O-OG1 3.07Å
19	Q	39	Very low	61.6	Low	167 Å²	167	66.3 Å²	66.3	78%	0.78	38%	0.383	S	S	*	.	H	α-helix	trans	-94.7	-14.1	-179.3	-144.8	172.2	21	0	0	113.8	L15 A16 L17	L15-Q19 WeakPolarHBondContact O-CB 3.23Å; L15-Q19 PolarHBondContact O-N 3.28Å; A16-Q19 PolarHBondContact O-N 2.78Å; L17-Q19 PolarHBondContact O-N 3.46Å; L17-Q19 VanDerWaalsContact O-N 3.09Å
20	T	45.6	Very low	63.7	Low	97 Å²	97	64.7 Å²	64.7	60%	0.595	37%	0.371	S	S	*	.	H	α-helix	trans	-94.6	-13.1	174.9	52.4	0	0	0	0	114.3	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 2.83Å; A16-T20 VanDerWaalsContact O-N 3.11Å; A16-T20 PolarHBondContact O-OG1 2.71Å; L17-T20 PolarHBondContact O-N 3.02Å; L17-T20 PolarHBondContact O-OG1 3.18Å
21	W	49.8	Very low	66.1	Low	63 Å²	63	59 Å²	59	24%	0.239	34%	0.341	C	S	.	.	H	α-helix	trans	-92.3	-35.4	-176.4	-67.9	28.5	0	0	0	113	L17 G23 E234	L17-W21 HydrophobicContact CD2-CZ2 4.41Å; L17-W21 PolarHBondContact O-N 2.79Å; W21-G23 PolarHBondContact O-N 2.85Å; W21-G23 VanDerWaalsContact O-N 3.09Å; W21-E234 HydrophobicContact CE3-CG 4.35Å; W21-E234 HydrophobicContact CH2-CG 3.6Å; W21-E234 HydrophobicContact CZ2-CG 3.91Å; W21-E234 HydrophobicContact CZ3-CB 4.34Å; W21-E234 HydrophobicContact CZ3-CG 3.84Å
22	A	57.9	Low	68.7	Low	56 Å²	56	56.5 Å²	56.5	46%	0.463	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	106.9	-170.5	0	0	0	0	0	113.4	P127 E286	A22-P127 WeakPolarHBondContact O-CG 3.4Å; A22-E286 WeakPolarHBondContact CA-OE1 3.35Å
23	G	78.5	Confident	71.5	Confident	24 Å²	24	51.8 Å²	51.8	25%	0.247	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	19.3	169.5	0	0	0	0	0	116.8	W21 P127	W21-G23 PolarHBondContact O-N 2.85Å; W21-G23 VanDerWaalsContact O-N 3.09Å; G23-P127 WeakPolarHBondContact O-CA 3.31Å; G23-P127 WeakPolarHBondContact O-CG 3.49Å
24	S	92.2	Very high	74	Confident	51 Å²	51	52.6 Å²	52.6	36%	0.357	30%	0.303	S	S	.	.			trans	-84.9	138.2	161	58.7	0	0	0	0	110.3	V125	S24-V125 WeakPolarHBondContact CA-O 3.46Å
25	H	96.3	Very high	76.5	Confident	33 Å²	33	51.2 Å²	51.2	15%	0.153	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.1	-177.5	-68.9	-74.8	0	0	0	111.8	D51 D124 V125 L190 L194	H25-D51 WeakPolarHBondContact CA-OD1 3.32Å; H25-D51 IonicContact CE1-OD2 3.42Å; H25-D51 IonicContact CG-OD2 2.84Å; H25-D51 IonicContact ND1-OD2 3.18Å; H25-D51 PolarHBondContact ND1-OD2 3.32Å; H25-D124 CarbonylContact O-C 3.6Å; H25-D124 WeakPolarHBondContact O-CA 3.29Å; H25-V125 HydrophobicContact CB-CG2 4.09Å; H25-V125 PolarHBondContact N-O 3.07Å; H25-V125 PolarHBondContact O-N 3.05Å; H25-L190 HydrophobicContact CB-CD1 4.46Å; H25-L194 HydrophobicContact CB-CD1 3.64Å; H25-L194 HydrophobicContact CB-CD2 3.96Å; H25-L194 HydrophobicContact CB-CG 4.4Å; H25-L194 WeakPolarHBondContact ND1-CD2 3.47Å
26	S	97.9	Very high	79.2	Confident	22 Å²	22	49.6 Å²	49.6	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.4	-174.5	63.3	0	0	0	0	111.9	V50 D51 C123 D124	S26-V50 CarbonylContact O-C 3.57Å; S26-V50 VanDerWaalsContact O-CA 3.31Å; S26-V50 WeakPolarHBondContact O-CA 3.33Å; S26-D51 PolarHBondContact N-OD1 3.46Å; S26-D51 PolarHBondContact O-N 2.97Å; S26-D51 PolarHBondContact OG-OD1 2.92Å; S26-C123 WeakPolarHBondContact CA-O 3.46Å; S26-D124 VanDerWaalsContact CB-OD1 3.23Å; S26-D124 WeakPolarHBondContact CB-OD1 3.25Å
27	M	98.7	Very high	81.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.8	166.2	-177.8	172.8	64.1	0	0	108.6	Y29 Y49 V50 F55 G122 C123 C186 W189 L190 Y193	M27-Y29 HydrophobicContact CE-CE2 4.16Å; M27-Y29 HydrophobicContact CG-CD2 4.44Å; M27-Y29 HydrophobicContact CG-CE2 4.06Å; M27-Y29 HydrophobicContact SD-CE2 3.93Å; M27-Y49 WeakPolarHBondContact CA-O 3.38Å; M27-V50 HydrophobicContact CG-CG2 4.33Å; M27-F55 HydrophobicContact CG-CE1 4.38Å; M27-F55 HydrophobicContact SD-CZ 4.26Å; M27-G122 CarbonylContact O-C 3.6Å; M27-G122 WeakPolarHBondContact O-CA 3.39Å; M27-C123 PolarHBondContact N-O 3.27Å; M27-C123 PolarHBondContact O-N 2.63Å; M27-C186 HydrophobicContact CE-CB 4.13Å; M27-C186 WeakPolarHBondContact CE-O 3.49Å; M27-C186 WeakPolarHBondContact CE-SG 3.38Å; M27-W189 HydrophobicContact CE-CB 4.15Å; M27-W189 HydrophobicContact SD-CB 4.44Å; M27-L190 HydrophobicContact CB-CB 4Å; M27-L190 HydrophobicContact CB-CD1 4.01Å; M27-L190 HydrophobicContact CB-CD2 4.06Å; M27-L190 HydrophobicContact CB-CG 4.23Å; M27-L190 HydrophobicContact CE-CB 4.46Å; M27-Y193 HydrophobicContact SD-CD2 3.72Å; M27-Y193 HydrophobicContact SD-CE2 3.46Å; M27-Y193 WeakPolarHBondContact SD-CE2 3.45Å
28	R	98.7	Very high	84.3	Confident	48 Å²	48	50.5 Å²	50.5	18%	0.181	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.9	-176	-53.5	-61.2	-173	76.2	4.8	110.5	F30 Y49 Y121 D124 Y135	R28-F30 HydrophobicContact CB-CD2 4.44Å; R28-F30 HydrophobicContact CB-CE2 3.64Å; R28-F30 HydrophobicContact CB-CZ 3.97Å; R28-Y49 PolarHBondContact N-O 2.96Å; R28-Y49 PolarHBondContact O-N 3.41Å; R28-Y121 WeakPolarHBondContact CA-O 3.34Å; R28-D124 IonicContact CZ-OD1 2.7Å; R28-D124 VanDerWaalsContact CZ-OD1 3.23Å; R28-D124 IonicContact CZ-OD2 3.62Å; R28-D124 IonicContact NE-OD1 3.55Å; R28-D124 PolarHBondContact NE-OD1 2.78Å; R28-D124 IonicContact NH2-OD1 3.39Å; R28-D124 PolarHBondContact NH2-OD1 3.32Å; R28-D124 IonicContact NH2-OD2 2.75Å; R28-D124 PolarHBondContact NH2-OD2 3.33Å; R28-Y135 VanDerWaalsContact NH2-CE2 3.31Å; R28-Y135 PolarHBondContact NH2-OH 3.47Å
29	Y	98.8	Very high	86.8	Confident	6 Å²	6	56.8 Å²	56.8	2%	0.024	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.5	170.9	-73.1	-99.1	0	0	0	109	M27 F31 V47 F55 V56 E85 M120 Y121	M27-Y29 HydrophobicContact CE-CE2 4.16Å; M27-Y29 HydrophobicContact CG-CD2 4.44Å; M27-Y29 HydrophobicContact CG-CE2 4.06Å; M27-Y29 HydrophobicContact SD-CE2 3.93Å; Y29-F31 HydrophobicContact CD1-CE1 4.19Å; Y29-V47 WeakPolarHBondContact CA-O 3.35Å; Y29-F55 HydrophobicContact CE1-CZ 4.36Å; Y29-F55 HydrophobicContact CE2-CZ 4.42Å; Y29-F55 AromaticContact CZ-CZ 3.94Å; Y29-V56 HydrophobicContact CE1-CG2 4.24Å; Y29-E85 PolarHBondContact OH-OE2 2.81Å; Y29-M120 WeakPolarHBondContact O-CA 3.4Å; Y29-Y121 VanDerWaalsContact CB-CZ 3.43Å; Y29-Y121 HydrophobicContact CD2-CD2 4.31Å; Y29-Y121 AromaticContact CD2-CE2 3.55Å; Y29-Y121 HydrophobicContact CD2-CE2 3.55Å; Y29-Y121 AromaticContact CD2-CZ 3.84Å; Y29-Y121 HydrophobicContact CE2-CE2 4.26Å; Y29-Y121 HydrophobicContact CG-CE1 4.3Å; Y29-Y121 AromaticContact CG-CE2 3.84Å; Y29-Y121 HydrophobicContact CG-CE2 3.84Å; Y29-Y121 AromaticContact CG-CZ 3.63Å; Y29-Y121 PolarHBondContact N-O 3.07Å; Y29-Y121 PolarHBondContact O-N 2.92Å; Y29-Y121 VanDerWaalsContact O-N 3.13Å
30	F	98.8	Very high	89.4	Confident	85 Å²	85	51.7 Å²	51.7	37%	0.373	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.4	177.8	-56.4	-98.5	0	0	0	109.1	R28 A46 V47 Y49 M119 M120	R28-F30 HydrophobicContact CB-CD2 4.44Å; R28-F30 HydrophobicContact CB-CE2 3.64Å; R28-F30 HydrophobicContact CB-CZ 3.97Å; F30-A46 WeakPolarHBondContact O-CA 3.39Å; F30-V47 HydrophobicContact CB-CG2 3.86Å; F30-V47 HydrophobicContact CD2-CG2 4.36Å; F30-V47 PolarHBondContact N-O 2.82Å; F30-V47 PolarHBondContact O-N 2.91Å; F30-Y49 HydrophobicContact CD2-CD2 4.16Å; F30-Y49 HydrophobicContact CE2-CD2 4.23Å; F30-M119 WeakPolarHBondContact CA-O 3.44Å; F30-M120 HydrophobicContact CD1-CB 4Å; F30-M120 HydrophobicContact CD1-CG 3.55Å; F30-M120 HydrophobicContact CE1-CB 4.21Å; F30-M120 HydrophobicContact CE1-CG 3.36Å; F30-M120 HydrophobicContact CG-CG 4.33Å; F30-M120 HydrophobicContact CZ-CG 4Å
31	F	98.8	Very high	91.7	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.9	176.1	-60.3	-10.6	0	0	0	109.8	Y29 F44 I45 A46 V89 H92 Q118 M119 Y121	Y29-F31 HydrophobicContact CD1-CE1 4.19Å; F31-F44 HydrophobicContact CB-CE2 4.02Å; F31-F44 HydrophobicContact CB-CZ 4.13Å; F31-F44 HydrophobicContact CD1-CZ 4.21Å; F31-F44 HydrophobicContact CD2-CE2 4.11Å; F31-F44 AromaticContact CD2-CZ 3.9Å; F31-F44 HydrophobicContact CD2-CZ 3.9Å; F31-F44 HydrophobicContact CE2-CZ 4.33Å; F31-F44 HydrophobicContact CG-CE2 4.13Å; F31-F44 AromaticContact CG-CZ 3.83Å; F31-F44 HydrophobicContact CG-CZ 3.83Å; F31-I45 CarbonylContact C-O 3.5Å; F31-I45 WeakPolarHBondContact CA-O 3.34Å; F31-A46 HydrophobicContact CD1-CB 3.27Å; F31-A46 HydrophobicContact CE1-CB 3.44Å; F31-A46 VanDerWaalsContact CE1-CB 3.44Å; F31-A46 HydrophobicContact CG-CB 4.19Å; F31-A46 HydrophobicContact CZ-CB 4.44Å; F31-V89 HydrophobicContact CE1-CG1 4.42Å; F31-V89 HydrophobicContact CZ-CG1 4.17Å; F31-H92 HydrophobicContact CD2-CB 4.46Å; F31-H92 AromaticContact CD2-CD2 3.57Å; F31-H92 AromaticContact CD2-CE1 3.84Å; F31-H92 AromaticContact CD2-CG 3.72Å; F31-H92 AromaticContact CD2-ND1 3.89Å; F31-H92 AromaticContact CD2-NE2 3.66Å; F31-H92 HydrophobicContact CE2-CB 4.11Å; F31-H92 AromaticContact CE2-CD2 3.96Å; F31-H92 AromaticContact CE2-CE1 3.87Å; F31-H92 AromaticContact CE2-CG 3.59Å; F31-H92 AromaticContact CE2-ND1 3.55Å; F31-Q118 WeakPolarHBondContact O-CA 3.13Å; F31-M119 HydrophobicContact CB-CB 4.38Å; F31-M119 PolarHBondContact N-O 3.42Å; F31-M119 PolarHBondContact O-N 3.04Å; F31-Y121 HydrophobicContact CD2-CE1 4.27Å; F31-Y121 HydrophobicContact CE1-CE1 4.15Å; F31-Y121 AromaticContact CE2-CE1 3.67Å; F31-Y121 HydrophobicContact CE2-CE1 3.67Å; F31-Y121 AromaticContact CZ-CE1 3.6Å; F31-Y121 HydrophobicContact CZ-CE1 3.6Å; F31-Y121 AromaticContact CZ-CZ 3.93Å; F31-Y121 WeakPolarHBondContact CZ-OH 3.47Å
32	T	98.8	Very high	94	Very high	43 Å²	43	50 Å²	50	26%	0.264	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	122.3	178.5	-62.8	0	0	0	0	110.5	V34 F44 I45 T116 I117 Q118	T32-V34 HydrophobicContact CG2-CG2 4.13Å; T32-F44 WeakPolarHBondContact O-CA 3.36Å; T32-I45 PolarHBondContact N-O 2.89Å; T32-I45 PolarHBondContact O-N 2.89Å; T32-T116 HydrophobicContact CG2-CG2 4.12Å; T32-I117 WeakPolarHBondContact CA-O 3.21Å; T32-Q118 HydrophobicContact CG2-CG 4.08Å
33	S	98.7	Very high	95.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.7	179.8	-85.5	0	0	0	0	111.2	R43 F44 D96 T116 I117	S33-R43 WeakPolarHBondContact CA-O 3.38Å; S33-F44 WeakPolarHBondContact OG-CD2 3.33Å; S33-D96 VanDerWaalsContact CB-OD2 3.3Å; S33-D96 WeakPolarHBondContact CB-OD2 3.28Å; S33-D96 WeakPolarHBondContact OG-CB 3.26Å; S33-D96 VanDerWaalsContact OG-CG 3.3Å; S33-D96 PolarHBondContact OG-OD2 3.19Å; S33-T116 CarbonylContact O-C 3.59Å; S33-T116 WeakPolarHBondContact O-CA 3.44Å; S33-I117 PolarHBondContact N-O 3.17Å; S33-I117 PolarHBondContact O-N 3.41Å
34	V	98.6	Very high	96.9	Very high	51 Å²	51	50.6 Å²	50.6	31%	0.309	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.5	-179.6	-173	0	0	0	0	109.7	T32 P42 R43 T116	T32-V34 HydrophobicContact CG2-CG2 4.13Å; V34-P42 CarbonylContact O-C 3.58Å; V34-P42 WeakPolarHBondContact O-CA 3.47Å; V34-P42 WeakPolarHBondContact O-CB 3.48Å; V34-R43 PolarHBondContact N-O 3.45Å; V34-R43 PolarHBondContact O-N 3.27Å; V34-T116 HydrophobicContact CG2-CG2 4.17Å
35	S	98.1	Very high	97.2	Very high	15 Å²	15	50.3 Å²	50.3	11%	0.105	27%	0.274	C	S	.	.			trans	-67.6	145.7	172.2	83.9	0	0	0	0	110.5	G113 S114 H115	S35-G113 PolarHBondContact OG-O 3.23Å; S35-S114 PolarHBondContact O-OG 3.21Å; S35-H115 PolarHBondContact N-O 3.26Å; S35-H115 PolarHBondContact OG-N 3.11Å
36	R	96.4	Very high	97.3	Very high	70 Å²	70	48.8 Å²	48.8	26%	0.264	27%	0.267	S	S	.	.			trans	-139.7	74.4	-178.8	52.5	174.7	170.3	-157.7	-13.8	111.6	G38 R39 E41 D61	R36-G38 PolarHBondContact O-N 3.37Å; R36-R39 HydrophobicContact CB-CB 4.11Å; R36-R39 WeakPolarHBondContact CD-O 3.43Å; R36-R39 HydrophobicContact CG-CB 4.18Å; R36-R39 PolarHBondContact NE-O 3Å; R36-R39 WeakPolarHBondContact O-CA 3.5Å; R36-R39 PolarHBondContact O-N 3.42Å; R36-E41 PolarHBondContact NE-O 3.5Å; R36-E41 PolarHBondContact NH2-O 3.45Å; R36-E41 VanDerWaalsContact NH2-O 3.07Å; R36-D61 IonicContact CZ-OD1 3.29Å; R36-D61 IonicContact CZ-OD2 3.62Å; R36-D61 IonicContact NH1-OD1 3.58Å; R36-D61 PolarHBondContact NH1-OD1 2.9Å; R36-D61 IonicContact NH1-OD2 3.36Å; R36-D61 PolarHBondContact NH1-OD2 3.36Å; R36-D61 IonicContact NH2-OD1 2.75Å; R36-D61 PolarHBondContact NH2-OD1 2.9Å; R36-D61 IonicContact NH2-OD2 2.94Å
37	P	94	Very high	97.4	Very high	55 Å²	55	49 Å²	49	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	133.9	-177.2	-28.7	35.9	0	0	0	113.1	R39 E111 G113	P37-R39 PolarHBondContact O-N 3.43Å; P37-E111 WeakPolarHBondContact CB-O 3.36Å; P37-E111 WeakPolarHBondContact CG-O 3.5Å; P37-G113 WeakPolarHBondContact CG-O 3.33Å
38	G	93.1	Very high	97.4	Very high	91 Å²	91	49 Å²	49	94%	0.938	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	3.1	-176.1	0	0	0	0	0	115.9	R36	R36-G38 PolarHBondContact O-N 3.37Å
39	R	94.3	Very high	97.4	Very high	209 Å²	209	50.2 Å²	50.2	79%	0.789	27%	0.273	S	S	*	.	S	Bend	trans	-124.8	25.5	-178.7	-56	-176.3	-177.2	-179.5	1.3	113.6	R36 P37	R36-R39 HydrophobicContact CB-CB 4.11Å; R36-R39 WeakPolarHBondContact CD-O 3.43Å; R36-R39 HydrophobicContact CG-CB 4.18Å; R36-R39 PolarHBondContact NE-O 3Å; R36-R39 WeakPolarHBondContact O-CA 3.5Å; R36-R39 PolarHBondContact O-N 3.42Å; P37-R39 PolarHBondContact O-N 3.43Å
40	G	92.7	Very high	97.3	Very high	59 Å²	59	49.9 Å²	49.9	61%	0.608	27%	0.272	S	S	*	.	S	Bend	trans	93.5	-166.7	179.9	0	0	0	0	0	113.9
41	E	95.2	Very high	97.2	Very high	98 Å²	98	47.4 Å²	47.4	46%	0.458	26%	0.262	S	S	.	.	S	Bend	trans	-66.4	155.9	178.9	-61.1	-68.9	-178.5	0	0	111.6	R36 R97 R101	R36-E41 PolarHBondContact NE-O 3.5Å; R36-E41 PolarHBondContact NH2-O 3.45Å; R36-E41 VanDerWaalsContact NH2-O 3.07Å; E41-R97 IonicContact OE1-CZ 3.01Å; E41-R97 IonicContact OE1-NH1 2.85Å; E41-R97 PolarHBondContact OE1-NH1 2.82Å; E41-R97 VanDerWaalsContact OE2-CD 3.29Å; E41-R97 WeakPolarHBondContact OE2-CD 3.47Å; E41-R97 IonicContact OE2-CZ 3.84Å; E41-R97 IonicContact OE2-NE 2.83Å; E41-R97 IonicContact OE2-NH1 2.72Å; E41-R97 PolarHBondContact OE2-NH1 2.93Å; E41-R101 IonicContact OE2-NH2 3.81Å; E41-R101 PolarHBondContact OE2-NH2 2.89Å
42	P	97.6	Very high	97.1	Very high	26 Å²	26	50 Å²	50	17%	0.169	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-50	141.7	175.7	-26.4	35.1	0	0	0	112.7	V34 R97 L100	V34-P42 CarbonylContact O-C 3.58Å; V34-P42 WeakPolarHBondContact O-CA 3.47Å; V34-P42 WeakPolarHBondContact O-CB 3.48Å; P42-R97 HydrophobicContact CG-CG 4.21Å; P42-L100 HydrophobicContact CB-CD1 3.73Å; P42-L100 HydrophobicContact CG-CD1 3.66Å
43	R	98.4	Very high	97	Very high	91 Å²	91	49.1 Å²	49.1	34%	0.343	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.1	171.9	-175.6	-179.9	-176.6	179.7	-0.9	108.7	S33 V34 I45 D59 S60 D61	S33-R43 WeakPolarHBondContact CA-O 3.38Å; V34-R43 PolarHBondContact N-O 3.45Å; V34-R43 PolarHBondContact O-N 3.27Å; R43-I45 HydrophobicContact CG-CG1 4.34Å; R43-D59 IonicContact CZ-OD1 3.4Å; R43-D59 IonicContact CZ-OD2 2.76Å; R43-D59 IonicContact NE-OD1 2.77Å; R43-D59 PolarHBondContact NE-OD1 3.48Å; R43-D59 IonicContact NE-OD2 2.68Å; R43-D59 VanDerWaalsContact NH2-CG 3.26Å; R43-D59 IonicContact NH2-OD1 2.72Å; R43-D59 PolarHBondContact NH2-OD1 2.88Å; R43-D59 IonicContact NH2-OD2 3.72Å; R43-D59 PolarHBondContact NH2-OD2 2.97Å; R43-S60 WeakPolarHBondContact CA-OG 3.33Å; R43-S60 WeakPolarHBondContact CG-OG 3.35Å; R43-D61 VanDerWaalsContact CD-OD2 3.3Å; R43-D61 WeakPolarHBondContact CD-OD2 3.46Å; R43-D61 IonicContact NE-OD2 3.11Å
44	F	98.7	Very high	96.9	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.5	174.5	174.6	-82.4	0	0	0	109.3	F31 T32 S33 A46 F58 S60 V89 H92 S93 D96	F31-F44 HydrophobicContact CB-CE2 4.02Å; F31-F44 HydrophobicContact CB-CZ 4.13Å; F31-F44 HydrophobicContact CD1-CZ 4.21Å; F31-F44 HydrophobicContact CD2-CE2 4.11Å; F31-F44 AromaticContact CD2-CZ 3.9Å; F31-F44 HydrophobicContact CD2-CZ 3.9Å; F31-F44 HydrophobicContact CE2-CZ 4.33Å; F31-F44 HydrophobicContact CG-CE2 4.13Å; F31-F44 AromaticContact CG-CZ 3.83Å; F31-F44 HydrophobicContact CG-CZ 3.83Å; T32-F44 WeakPolarHBondContact O-CA 3.36Å; S33-F44 WeakPolarHBondContact OG-CD2 3.33Å; F44-A46 HydrophobicContact CE1-CB 3.57Å; F44-A46 HydrophobicContact CZ-CB 3.85Å; F44-F58 AromaticContact CD1-CD1 3.66Å; F44-F58 HydrophobicContact CD1-CD1 3.66Å; F44-F58 AromaticContact CD1-CE1 3.82Å; F44-F58 HydrophobicContact CD1-CE1 3.82Å; F44-F58 AromaticContact CE1-CD1 3.88Å; F44-F58 HydrophobicContact CE1-CD1 3.88Å; F44-F58 HydrophobicContact CE1-CE1 4.33Å; F44-S60 PolarHBondContact N-OG 3.29Å; F44-S60 PolarHBondContact O-N 2.9Å; F44-S60 PolarHBondContact O-OG 2.85Å; F44-V89 HydrophobicContact CE1-CB 3.99Å; F44-V89 HydrophobicContact CZ-CB 4.33Å; F44-H92 HydrophobicContact CE2-CB 4.38Å; F44-H92 HydrophobicContact CZ-CB 4.38Å; F44-S93 VanDerWaalsContact CG-CB 3.46Å; F44-D96 WeakPolarHBondContact CD2-OD2 3.46Å; F44-D96 WeakPolarHBondContact CE2-OD2 3.22Å
45	I	98.8	Very high	96.9	Very high	44 Å²	44	49 Å²	49	23%	0.226	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.4	171.2	-59.5	175.4	0	0	0	107.7	F31 T32 R43 V47 F58	F31-I45 CarbonylContact C-O 3.5Å; F31-I45 WeakPolarHBondContact CA-O 3.34Å; T32-I45 PolarHBondContact N-O 2.89Å; T32-I45 PolarHBondContact O-N 2.89Å; R43-I45 HydrophobicContact CG-CG1 4.34Å; I45-V47 HydrophobicContact CG2-CG1 4.44Å; I45-F58 WeakPolarHBondContact CA-O 3.37Å
46	A	98.8	Very high	96.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.1	169.7	0	0	0	0	0	110.4	F30 F31 F44 R57 F58 V89	F30-A46 WeakPolarHBondContact O-CA 3.39Å; F31-A46 HydrophobicContact CD1-CB 3.27Å; F31-A46 HydrophobicContact CE1-CB 3.44Å; F31-A46 VanDerWaalsContact CE1-CB 3.44Å; F31-A46 HydrophobicContact CG-CB 4.19Å; F31-A46 HydrophobicContact CZ-CB 4.44Å; F44-A46 HydrophobicContact CE1-CB 3.57Å; F44-A46 HydrophobicContact CZ-CB 3.85Å; A46-R57 CarbonylContact O-C 3.56Å; A46-R57 WeakPolarHBondContact O-CA 3.13Å; A46-F58 HydrophobicContact CB-CB 4.27Å; A46-F58 PolarHBondContact N-O 2.93Å; A46-F58 PolarHBondContact O-N 2.92Å; A46-V89 HydrophobicContact CB-CG1 4.23Å
47	V	98.9	Very high	97	Very high	27 Å²	27	48.7 Å²	48.7	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.9	172.1	-62.6	0	0	0	0	110	Y29 F30 I45 Y49 V56 R57	Y29-V47 WeakPolarHBondContact CA-O 3.35Å; F30-V47 HydrophobicContact CB-CG2 3.86Å; F30-V47 HydrophobicContact CD2-CG2 4.36Å; F30-V47 PolarHBondContact N-O 2.82Å; F30-V47 PolarHBondContact O-N 2.91Å; I45-V47 HydrophobicContact CG2-CG1 4.44Å; V47-Y49 HydrophobicContact CB-CE2 4.06Å; V47-Y49 HydrophobicContact CG2-CD2 4.25Å; V47-Y49 HydrophobicContact CG2-CE2 3.79Å; V47-V56 WeakPolarHBondContact CA-O 2.99Å; V47-R57 HydrophobicContact CG1-CG 4.26Å
48	G	98.7	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.6	175.4	0	0	0	0	0	110.6	Q54 F55 V56	G48-Q54 WeakPolarHBondContact O-CA 3.12Å; G48-Q54 WeakPolarHBondContact O-CG 3.44Å; G48-F55 WeakPolarHBondContact O-CD1 3.47Å; G48-F55 PolarHBondContact O-N 3.41Å; G48-V56 PolarHBondContact N-O 3.35Å; G48-V56 PolarHBondContact O-N 2.96Å
49	Y	98.7	Very high	97.5	Very high	73 Å²	73	42.7 Å²	42.7	29%	0.286	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141	-179.9	-79	-104.4	0	0	0	110.7	M27 R28 F30 V47 T53 Q54	M27-Y49 WeakPolarHBondContact CA-O 3.38Å; R28-Y49 PolarHBondContact N-O 2.96Å; R28-Y49 PolarHBondContact O-N 3.41Å; F30-Y49 HydrophobicContact CD2-CD2 4.16Å; F30-Y49 HydrophobicContact CE2-CD2 4.23Å; V47-Y49 HydrophobicContact CB-CE2 4.06Å; V47-Y49 HydrophobicContact CG2-CD2 4.25Å; V47-Y49 HydrophobicContact CG2-CE2 3.79Å; Y49-T53 WeakPolarHBondContact CA-O 3.25Å; Y49-Q54 HydrophobicContact CD1-CB 4.12Å; Y49-Q54 HydrophobicContact CD2-CB 4.41Å; Y49-Q54 HydrophobicContact CD2-CG 4.24Å; Y49-Q54 HydrophobicContact CE1-CB 3.69Å; Y49-Q54 HydrophobicContact CE1-CG 4.43Å; Y49-Q54 HydrophobicContact CE2-CB 4Å; Y49-Q54 HydrophobicContact CE2-CG 3.82Å; Y49-Q54 HydrophobicContact CG-CB 4.45Å
50	V	98.4	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.7	156.9	176.4	0	0	0	0	106	S26 M27 D52 T53 F55 W73 L190 Y193 L194 L201	S26-V50 CarbonylContact O-C 3.57Å; S26-V50 VanDerWaalsContact O-CA 3.31Å; S26-V50 WeakPolarHBondContact O-CA 3.33Å; M27-V50 HydrophobicContact CG-CG2 4.33Å; V50-D52 PolarHBondContact O-N 3.45Å; V50-T53 PolarHBondContact N-O 3.36Å; V50-T53 WeakPolarHBondContact O-CB 3.33Å; V50-T53 PolarHBondContact O-N 2.9Å; V50-F55 HydrophobicContact CG2-CD1 3.93Å; V50-F55 HydrophobicContact CG2-CE1 3.93Å; V50-W73 HydrophobicContact CB-CH2 4.35Å; V50-W73 HydrophobicContact CB-CZ2 4.44Å; V50-W73 HydrophobicContact CG2-CH2 3.91Å; V50-W73 HydrophobicContact CG2-CZ2 4.48Å; V50-L190 HydrophobicContact CG1-CD1 3.61Å; V50-L190 HydrophobicContact CG2-CD1 4.28Å; V50-Y193 HydrophobicContact CG2-CD2 3.84Å; V50-Y193 HydrophobicContact CG2-CG 4.41Å; V50-L194 HydrophobicContact CG1-CD2 4.06Å; V50-L201 HydrophobicContact CB-CD1 4.29Å; V50-L201 HydrophobicContact CB-CD2 4.15Å; V50-L201 HydrophobicContact CG1-CD1 3.89Å; V50-L201 HydrophobicContact CG1-CD2 4.09Å; V50-L201 HydrophobicContact CG1-CG 4.5Å
51	D	96.1	Very high	97.9	Very high	33 Å²	33	34.3 Å²	34.3	18%	0.176	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	-132.2	-166	-55.2	-47.1	0	0	0	111.1	H25 S26 T53	H25-D51 WeakPolarHBondContact CA-OD1 3.32Å; H25-D51 IonicContact CE1-OD2 3.42Å; H25-D51 IonicContact CG-OD2 2.84Å; H25-D51 IonicContact ND1-OD2 3.18Å; H25-D51 PolarHBondContact ND1-OD2 3.32Å; S26-D51 PolarHBondContact N-OD1 3.46Å; S26-D51 PolarHBondContact O-N 2.97Å; S26-D51 PolarHBondContact OG-OD1 2.92Å; D51-T53 PolarHBondContact O-N 3.48Å
52	D	95.5	Very high	98	Very high	61 Å²	61	31.1 Å²	31.1	33%	0.326	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.3	178.9	-65.5	-59.3	0	0	0	114.3	V50 Y231 P232 A233 F263	V50-D52 PolarHBondContact O-N 3.45Å; D52-Y231 HydrophobicContact CB-CE2 4.11Å; D52-P232 WeakPolarHBondContact OD2-CB 3.44Å; D52-A233 HydrophobicContact CB-CB 4.36Å; D52-A233 VanDerWaalsContact CG-CB 3.43Å; D52-A233 WeakPolarHBondContact OD1-CB 3.33Å; D52-A233 WeakPolarHBondContact OD2-CB 3.03Å; D52-A233 PolarHBondContact OD2-N 3.03Å; D52-F263 HydrophobicContact CB-CE2 3.71Å; D52-F263 HydrophobicContact CB-CZ 3.73Å
53	T	96.6	Very high	98	Very high	23 Å²	23	35.4 Å²	35.4	14%	0.141	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	112.5	-172.2	-63.8	0	0	0	0	112.2	Y49 V50 D51 F55 A71 W73 T200 L201 Y231	Y49-T53 WeakPolarHBondContact CA-O 3.25Å; V50-T53 PolarHBondContact N-O 3.36Å; V50-T53 WeakPolarHBondContact O-CB 3.33Å; V50-T53 PolarHBondContact O-N 2.9Å; D51-T53 PolarHBondContact O-N 3.48Å; T53-F55 PolarHBondContact O-N 2.94Å; T53-A71 HydrophobicContact CG2-CB 4.44Å; T53-W73 HydrophobicContact CG2-CZ2 4.48Å; T53-T200 HydrophobicContact CG2-CG2 4.43Å; T53-L201 HydrophobicContact CG2-CD2 3.95Å; T53-Y231 WeakPolarHBondContact OG1-CE2 3.02Å; T53-Y231 PolarHBondContact OG1-OH 2.9Å; T53-Y231 VanDerWaalsContact OG1-OH 3.04Å
54	Q	97.8	Very high	97.7	Very high	49 Å²	49	33.6 Å²	33.6	23%	0.229	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.7	172.2	-166.5	-177.7	-0.6	0	0	110.7	G48 Y49 V56 R70	G48-Q54 WeakPolarHBondContact O-CA 3.12Å; G48-Q54 WeakPolarHBondContact O-CG 3.44Å; Y49-Q54 HydrophobicContact CD1-CB 4.12Å; Y49-Q54 HydrophobicContact CD2-CB 4.41Å; Y49-Q54 HydrophobicContact CD2-CG 4.24Å; Y49-Q54 HydrophobicContact CE1-CB 3.69Å; Y49-Q54 HydrophobicContact CE1-CG 4.43Å; Y49-Q54 HydrophobicContact CE2-CB 4Å; Y49-Q54 HydrophobicContact CE2-CG 3.82Å; Y49-Q54 HydrophobicContact CG-CB 4.45Å; Q54-V56 PolarHBondContact NE2-O 3.39Å; Q54-R70 HydrophobicContact CG-CB 4.15Å; Q54-R70 HydrophobicContact CG-CG 4.35Å; Q54-R70 CarbonylContact O-C 3.58Å
55	F	98.3	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-25.5	179.3	75	-82.7	0	0	0	114.4	M27 Y29 G48 V50 T53 R70 A71 W73 I74 Y193	M27-F55 HydrophobicContact CG-CE1 4.38Å; M27-F55 HydrophobicContact SD-CZ 4.26Å; Y29-F55 HydrophobicContact CE1-CZ 4.36Å; Y29-F55 HydrophobicContact CE2-CZ 4.42Å; Y29-F55 AromaticContact CZ-CZ 3.94Å; G48-F55 WeakPolarHBondContact O-CD1 3.47Å; G48-F55 PolarHBondContact O-N 3.41Å; V50-F55 HydrophobicContact CG2-CD1 3.93Å; V50-F55 HydrophobicContact CG2-CE1 3.93Å; T53-F55 PolarHBondContact O-N 2.94Å; F55-R70 PolarHBondContact O-N 3.16Å; F55-A71 HydrophobicContact CB-CB 4.26Å; F55-W73 HydrophobicContact CB-CH2 3.19Å; F55-W73 HydrophobicContact CB-CZ2 3.41Å; F55-W73 VanDerWaalsContact CB-CZ2 3.41Å; F55-W73 HydrophobicContact CB-CZ3 3.97Å; F55-W73 HydrophobicContact CD1-CH2 4.08Å; F55-W73 AromaticContact CD2-CH2 3.89Å; F55-W73 HydrophobicContact CD2-CH2 3.89Å; F55-W73 HydrophobicContact CD2-CZ3 4.14Å; F55-W73 AromaticContact CG-CH2 3.49Å; F55-W73 HydrophobicContact CG-CH2 3.49Å; F55-W73 VanDerWaalsContact CG-CH2 3.49Å; F55-W73 HydrophobicContact CG-CZ2 4.16Å; F55-W73 HydrophobicContact CG-CZ3 4.18Å; F55-I74 HydrophobicContact CD2-CB 4.45Å; F55-I74 HydrophobicContact CD2-CD1 4.01Å; F55-I74 HydrophobicContact CD2-CG1 4.07Å; F55-I74 HydrophobicContact CE2-CD1 4.36Å; F55-I74 VanDerWaalsContact O-CG2 3.26Å; F55-I74 WeakPolarHBondContact O-CG2 3.48Å; F55-Y193 HydrophobicContact CD2-CE2 4.34Å; F55-Y193 HydrophobicContact CE1-CE2 4.48Å; F55-Y193 HydrophobicContact CE2-CD2 4.14Å; F55-Y193 AromaticContact CE2-CE2 3.49Å; F55-Y193 HydrophobicContact CE2-CE2 3.49Å; F55-Y193 VanDerWaalsContact CE2-CE2 3.49Å; F55-Y193 AromaticContact CE2-CZ 3.74Å; F55-Y193 HydrophobicContact CZ-CD2 4.15Å; F55-Y193 AromaticContact CZ-CE2 3.59Å; F55-Y193 HydrophobicContact CZ-CE2 3.59Å
56	V	98.6	Very high	97.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.6	176.3	-71.1	0	0	0	0	113.8	Y29 V47 G48 Q54 M67 E68 I74 W82	Y29-V56 HydrophobicContact CE1-CG2 4.24Å; V47-V56 WeakPolarHBondContact CA-O 2.99Å; G48-V56 PolarHBondContact N-O 3.35Å; G48-V56 PolarHBondContact O-N 2.96Å; Q54-V56 PolarHBondContact NE2-O 3.39Å; V56-M67 HydrophobicContact CB-CE 4.49Å; V56-M67 HydrophobicContact CB-CG 4.04Å; V56-M67 HydrophobicContact CB-SD 3.77Å; V56-M67 HydrophobicContact CG1-CG 4.12Å; V56-M67 HydrophobicContact CG1-SD 4.48Å; V56-M67 HydrophobicContact CG2-CE 4.21Å; V56-M67 HydrophobicContact CG2-SD 4.06Å; V56-E68 WeakPolarHBondContact CA-O 2.64Å; V56-I74 HydrophobicContact CG1-CG1 4.4Å; V56-W82 HydrophobicContact CG1-CH2 4.01Å; V56-W82 HydrophobicContact CG1-CZ3 3.87Å
57	R	98.6	Very high	97.6	Very high	79 Å²	79	42 Å²	42	30%	0.298	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.3	171	-177.3	177.7	175.7	122.4	3.2	111.6	A46 V47 D59 E68 R70	A46-R57 CarbonylContact O-C 3.56Å; A46-R57 WeakPolarHBondContact O-CA 3.13Å; V47-R57 HydrophobicContact CG1-CG 4.26Å; R57-D59 IonicContact CZ-OD2 3.54Å; R57-D59 IonicContact NE-OD2 3.29Å; R57-D59 IonicContact NH2-OD2 3.54Å; R57-D59 PolarHBondContact NH2-OD2 3.29Å; R57-E68 PolarHBondContact N-O 2.89Å; R57-E68 PolarHBondContact O-N 2.95Å; R57-R70 HydrophobicContact CB-CG 3.93Å
58	F	98.8	Very high	97.5	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.5	160	177.3	-80.9	0	0	0	109.7	F44 I45 A46 Q65 R66 M67 V89 K90	F44-F58 AromaticContact CD1-CD1 3.66Å; F44-F58 HydrophobicContact CD1-CD1 3.66Å; F44-F58 AromaticContact CD1-CE1 3.82Å; F44-F58 HydrophobicContact CD1-CE1 3.82Å; F44-F58 AromaticContact CE1-CD1 3.88Å; F44-F58 HydrophobicContact CE1-CD1 3.88Å; F44-F58 HydrophobicContact CE1-CE1 4.33Å; I45-F58 WeakPolarHBondContact CA-O 3.37Å; A46-F58 HydrophobicContact CB-CB 4.27Å; A46-F58 PolarHBondContact N-O 2.93Å; A46-F58 PolarHBondContact O-N 2.92Å; F58-Q65 HydrophobicContact CE2-CB 4.44Å; F58-Q65 WeakPolarHBondContact CE2-O 3.45Å; F58-Q65 HydrophobicContact CZ-CB 4.41Å; F58-R66 WeakPolarHBondContact CD2-O 3.49Å; F58-M67 HydrophobicContact CB-SD 4.01Å; F58-V89 HydrophobicContact CB-CG2 3.89Å; F58-V89 HydrophobicContact CD1-CG2 4.08Å; F58-V89 HydrophobicContact CD2-CG2 3.32Å; F58-V89 HydrophobicContact CE1-CG2 4.47Å; F58-V89 HydrophobicContact CE2-CG2 3.77Å; F58-V89 HydrophobicContact CG-CB 4.36Å; F58-V89 HydrophobicContact CG-CG2 3.5Å; F58-V89 HydrophobicContact CZ-CG2 4.33Å; F58-K90 HydrophobicContact CE2-CG 4.01Å; F58-K90 HydrophobicContact CZ-CG 3.9Å
59	D	98.6	Very high	97.5	Very high	16 Å²	16	45.7 Å²	45.7	9%	0.086	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	122.8	175.6	-158.3	-42	0	0	0	109.1	R43 R57 D61 A62	R43-D59 IonicContact CZ-OD1 3.4Å; R43-D59 IonicContact CZ-OD2 2.76Å; R43-D59 IonicContact NE-OD1 2.77Å; R43-D59 PolarHBondContact NE-OD1 3.48Å; R43-D59 IonicContact NE-OD2 2.68Å; R43-D59 VanDerWaalsContact NH2-CG 3.26Å; R43-D59 IonicContact NH2-OD1 2.72Å; R43-D59 PolarHBondContact NH2-OD1 2.88Å; R43-D59 IonicContact NH2-OD2 3.72Å; R43-D59 PolarHBondContact NH2-OD2 2.97Å; R57-D59 IonicContact CZ-OD2 3.54Å; R57-D59 IonicContact NE-OD2 3.29Å; R57-D59 IonicContact NH2-OD2 3.54Å; R57-D59 PolarHBondContact NH2-OD2 3.29Å; D59-D61 PolarHBondContact O-N 3.4Å; D59-D61 PolarHBondContact OD1-N 3.41Å; D59-A62 HydrophobicContact CB-CB 4.16Å; D59-A62 WeakPolarHBondContact O-CB 3.17Å; D59-A62 PolarHBondContact O-N 3.45Å; D59-A62 VanDerWaalsContact O-N 3.16Å
60	S	98.1	Very high	97.5	Very high	20 Å²	20	47.9 Å²	47.9	14%	0.14	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.8	-176.8	64.1	0	0	0	0	113.5	R43 F44 Q65	R43-S60 WeakPolarHBondContact CA-OG 3.33Å; R43-S60 WeakPolarHBondContact CG-OG 3.35Å; F44-S60 PolarHBondContact N-OG 3.29Å; F44-S60 PolarHBondContact O-N 2.9Å; F44-S60 PolarHBondContact O-OG 2.85Å; S60-Q65 PolarHBondContact O-NE2 3.19Å
61	D	97.5	Very high	97.4	Very high	73 Å²	73	48.1 Å²	48.1	39%	0.39	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-5.1	-177.6	-68.4	10.4	0	0	0	112.3	R36 R43 D59	R36-D61 IonicContact CZ-OD1 3.29Å; R36-D61 IonicContact CZ-OD2 3.62Å; R36-D61 IonicContact NH1-OD1 3.58Å; R36-D61 PolarHBondContact NH1-OD1 2.9Å; R36-D61 IonicContact NH1-OD2 3.36Å; R36-D61 PolarHBondContact NH1-OD2 3.36Å; R36-D61 IonicContact NH2-OD1 2.75Å; R36-D61 PolarHBondContact NH2-OD1 2.9Å; R36-D61 IonicContact NH2-OD2 2.94Å; R43-D61 VanDerWaalsContact CD-OD2 3.3Å; R43-D61 WeakPolarHBondContact CD-OD2 3.46Å; R43-D61 IonicContact NE-OD2 3.11Å; D59-D61 PolarHBondContact O-N 3.4Å; D59-D61 PolarHBondContact OD1-N 3.41Å
62	A	97.4	Very high	97.4	Very high	30 Å²	30	51.3 Å²	51.3	25%	0.248	28%	0.279	C	S	.	.	S	Bend	trans	-75	138.7	174	0	0	0	0	0	111.2	D59 S64 Q65	D59-A62 HydrophobicContact CB-CB 4.16Å; D59-A62 WeakPolarHBondContact O-CB 3.17Å; D59-A62 PolarHBondContact O-N 3.45Å; D59-A62 VanDerWaalsContact O-N 3.16Å; A62-S64 PolarHBondContact O-N 3.3Å; A62-S64 VanDerWaalsContact O-N 3.15Å; A62-Q65 WeakPolarHBondContact O-CG 3.18Å; A62-Q65 PolarHBondContact O-N 3Å; A62-Q65 VanDerWaalsContact O-N 3.07Å
63	A	96.6	Very high	97.5	Very high	117 Å²	117	49.2 Å²	49.2	97%	0.967	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.9	-178.3	0	0	0	0	0	114.1
64	S	93.5	Very high	97.5	Very high	52 Å²	52	48.1 Å²	48.1	36%	0.364	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-38.6	174.1	54.7	0	0	0	0	112.7	A62 R66 E68	A62-S64 PolarHBondContact O-N 3.3Å; A62-S64 VanDerWaalsContact O-N 3.15Å; S64-R66 PolarHBondContact O-N 3.34Å; S64-E68 WeakPolarHBondContact CB-OE1 3.25Å; S64-E68 PolarHBondContact OG-OE1 3.3Å
65	Q	96.1	Very high	97.5	Very high	89 Å²	89	51.7 Å²	51.7	42%	0.416	28%	0.277	S	S	.	.			trans	37.6	51	-163.7	-60.3	-169.3	-21.1	0	0	112.7	F58 S60 A62 K90	F58-Q65 HydrophobicContact CE2-CB 4.44Å; F58-Q65 WeakPolarHBondContact CE2-O 3.45Å; F58-Q65 HydrophobicContact CZ-CB 4.41Å; S60-Q65 PolarHBondContact O-NE2 3.19Å; A62-Q65 WeakPolarHBondContact O-CG 3.18Å; A62-Q65 PolarHBondContact O-N 3Å; A62-Q65 VanDerWaalsContact O-N 3.07Å; Q65-K90 WeakPolarHBondContact O-CE 3.19Å; Q65-K90 PolarHBondContact O-NZ 2.8Å
66	R	97.9	Very high	97.4	Very high	129 Å²	129	57.5 Å²	57.5	49%	0.487	30%	0.304	S	S	.	.	S	Bend	trans	-122.7	159.7	176.3	-78.5	175.8	175.9	-99	-4.7	110	F58 S64 D83 T86	F58-R66 WeakPolarHBondContact CD2-O 3.49Å; S64-R66 PolarHBondContact O-N 3.34Å; R66-D83 IonicContact CZ-OD1 3.75Å; R66-D83 IonicContact NH1-OD1 2.88Å; R66-D83 PolarHBondContact NH1-OD1 3.1Å; R66-D83 IonicContact NH2-OD1 3.89Å; R66-T86 HydrophobicContact CG-CG2 4.21Å
67	M	98.3	Very high	97.3	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.039	31%	0.307	C	S	.	.			trans	-68.8	130.8	161.7	-169.4	69.8	96.1	0	0	107.8	V56 F58 W82 E85 T86 V89	V56-M67 HydrophobicContact CB-CE 4.49Å; V56-M67 HydrophobicContact CB-CG 4.04Å; V56-M67 HydrophobicContact CB-SD 3.77Å; V56-M67 HydrophobicContact CG1-CG 4.12Å; V56-M67 HydrophobicContact CG1-SD 4.48Å; V56-M67 HydrophobicContact CG2-CE 4.21Å; V56-M67 HydrophobicContact CG2-SD 4.06Å; F58-M67 HydrophobicContact CB-SD 4.01Å; M67-W82 HydrophobicContact CB-CE3 4.21Å; M67-W82 HydrophobicContact CB-CZ3 4.48Å; M67-W82 HydrophobicContact CG-CE3 4.2Å; M67-W82 HydrophobicContact CG-CZ3 4.02Å; M67-E85 HydrophobicContact CB-CB 4.12Å; M67-E85 HydrophobicContact CE-CB 4.06Å; M67-E85 HydrophobicContact CG-CB 4.1Å; M67-T86 PolarHBondContact N-OG1 2.93Å; M67-V89 HydrophobicContact CE-CG1 3.53Å
68	E	98.3	Very high	97.3	Very high	56 Å²	56	56.1 Å²	56.1	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.3	-173.8	-67.2	173.3	172.9	0	0	110.4	V56 R57 S64 R70	V56-E68 WeakPolarHBondContact CA-O 2.64Å; R57-E68 PolarHBondContact N-O 2.89Å; R57-E68 PolarHBondContact O-N 2.95Å; S64-E68 WeakPolarHBondContact CB-OE1 3.25Å; S64-E68 PolarHBondContact OG-OE1 3.3Å; E68-R70 IonicContact OE2-CZ 2.76Å; E68-R70 IonicContact OE2-NH2 2.74Å; E68-R70 PolarHBondContact OE2-NH2 2.92Å
69	P	98.3	Very high	97.2	Very high	48 Å²	48	60.6 Å²	60.6	31%	0.312	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	150.5	177.1	27.3	-34.9	0	0	0	112	I74 E75 W82	P69-I74 HydrophobicContact CB-CG2 3.74Å; P69-E75 HydrophobicContact CB-CG 3.75Å; P69-E75 HydrophobicContact CG-CG 4.02Å; P69-W82 HydrophobicContact CB-CH2 3.64Å; P69-W82 HydrophobicContact CB-CZ2 4.09Å; P69-W82 HydrophobicContact CB-CZ3 4.43Å; P69-W82 HydrophobicContact CG-CH2 4.24Å; P69-W82 HydrophobicContact CG-CZ2 4.49Å
70	R	97.8	Very high	97.2	Very high	118 Å²	118	68 Å²	68	45%	0.445	37%	0.374	S	S	.	.			trans	-133.1	-5.5	175.8	-58.2	-65.1	157.4	-171.9	-0.7	114	Q54 F55 R57 E68	Q54-R70 HydrophobicContact CG-CB 4.15Å; Q54-R70 HydrophobicContact CG-CG 4.35Å; Q54-R70 CarbonylContact O-C 3.58Å; F55-R70 PolarHBondContact O-N 3.16Å; R57-R70 HydrophobicContact CB-CG 3.93Å; E68-R70 IonicContact OE2-CZ 2.76Å; E68-R70 IonicContact OE2-NH2 2.74Å; E68-R70 PolarHBondContact OE2-NH2 2.92Å
71	A	96.6	Very high	97.2	Very high	5 Å²	5	68 Å²	68	4%	0.041	37%	0.371	C	S	.	.	S	Bend	trans	-134	142.3	171.1	0	0	0	0	0	110.6	T53 F55 W73 I74	T53-A71 HydrophobicContact CG2-CB 4.44Å; F55-A71 HydrophobicContact CB-CB 4.26Å; A71-W73 HydrophobicContact CB-CD2 4.23Å; A71-W73 HydrophobicContact CB-CG 4.34Å; A71-W73 HydrophobicContact CB-CZ2 4.16Å; A71-W73 PolarHBondContact O-N 3.25Å; A71-W73 VanDerWaalsContact O-N 3.15Å; A71-I74 WeakPolarHBondContact O-CG2 3.25Å; A71-I74 PolarHBondContact O-N 3.49Å
72	P	96.8	Very high	97.2	Very high	101 Å²	101	66.3 Å²	66.3	66%	0.656	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-58.9	-32.1	-176.1	-26.7	35.3	0	0	0	114	I74 E75	P72-I74 PolarHBondContact O-N 2.97Å; P72-E75 WeakPolarHBondContact O-CB 3.36Å; P72-E75 PolarHBondContact O-N 3.38Å; P72-E75 VanDerWaalsContact O-N 3.13Å
73	W	96.7	Very high	97.2	Very high	17 Å²	17	68.2 Å²	68.2	6%	0.064	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-70.9	-13.5	-176.9	56.4	-108.2	0	0	0	114.7	V50 T53 F55 A71 Q76 Y193 N196 G197 L201	V50-W73 HydrophobicContact CB-CH2 4.35Å; V50-W73 HydrophobicContact CB-CZ2 4.44Å; V50-W73 HydrophobicContact CG2-CH2 3.91Å; V50-W73 HydrophobicContact CG2-CZ2 4.48Å; T53-W73 HydrophobicContact CG2-CZ2 4.48Å; F55-W73 HydrophobicContact CB-CH2 3.19Å; F55-W73 HydrophobicContact CB-CZ2 3.41Å; F55-W73 VanDerWaalsContact CB-CZ2 3.41Å; F55-W73 HydrophobicContact CB-CZ3 3.97Å; F55-W73 HydrophobicContact CD1-CH2 4.08Å; F55-W73 AromaticContact CD2-CH2 3.89Å; F55-W73 HydrophobicContact CD2-CH2 3.89Å; F55-W73 HydrophobicContact CD2-CZ3 4.14Å; F55-W73 AromaticContact CG-CH2 3.49Å; F55-W73 HydrophobicContact CG-CH2 3.49Å; F55-W73 VanDerWaalsContact CG-CH2 3.49Å; F55-W73 HydrophobicContact CG-CZ2 4.16Å; F55-W73 HydrophobicContact CG-CZ3 4.18Å; A71-W73 HydrophobicContact CB-CD2 4.23Å; A71-W73 HydrophobicContact CB-CG 4.34Å; A71-W73 HydrophobicContact CB-CZ2 4.16Å; A71-W73 PolarHBondContact O-N 3.25Å; A71-W73 VanDerWaalsContact O-N 3.15Å; W73-Q76 PolarHBondContact O-NE2 2.96Å; W73-Y193 HydrophobicContact CH2-CG 4.15Å; W73-Y193 AromaticContact CZ3-CD1 3.78Å; W73-Y193 HydrophobicContact CZ3-CD1 3.78Å; W73-Y193 HydrophobicContact CZ3-CD2 4.37Å; W73-Y193 AromaticContact CZ3-CG 3.66Å; W73-Y193 HydrophobicContact CZ3-CG 3.66Å; W73-N196 WeakPolarHBondContact CB-O 3.35Å; W73-G197 VanDerWaalsContact CB-CA 3.46Å; W73-L201 HydrophobicContact CD2-CD1 4.4Å; W73-L201 HydrophobicContact CH2-CD1 4.19Å; W73-L201 HydrophobicContact CZ2-CD1 3.7Å; W73-L201 HydrophobicContact CZ2-CD2 3.95Å; W73-L201 HydrophobicContact CZ2-CG 4.22Å
74	I	97.9	Very high	97.3	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-90.7	-19.4	171.4	-163.2	73	0	0	0	112.1	F55 V56 P69 A71 P72 Q76 E77 Y81 W82 Y193	F55-I74 HydrophobicContact CD2-CB 4.45Å; F55-I74 HydrophobicContact CD2-CD1 4.01Å; F55-I74 HydrophobicContact CD2-CG1 4.07Å; F55-I74 HydrophobicContact CE2-CD1 4.36Å; F55-I74 VanDerWaalsContact O-CG2 3.26Å; F55-I74 WeakPolarHBondContact O-CG2 3.48Å; V56-I74 HydrophobicContact CG1-CG1 4.4Å; P69-I74 HydrophobicContact CB-CG2 3.74Å; A71-I74 WeakPolarHBondContact O-CG2 3.25Å; A71-I74 PolarHBondContact O-N 3.49Å; P72-I74 PolarHBondContact O-N 2.97Å; I74-Q76 PolarHBondContact O-N 3.11Å; I74-Q76 VanDerWaalsContact O-N 3.08Å; I74-E77 HydrophobicContact CD1-CG 3.61Å; I74-E77 HydrophobicContact CG1-CG 4.14Å; I74-E77 WeakPolarHBondContact O-CB 3.37Å; I74-E77 WeakPolarHBondContact O-CG 3.38Å; I74-E77 PolarHBondContact O-N 3.34Å; I74-Y81 HydrophobicContact CD1-CE1 4.14Å; I74-Y81 HydrophobicContact CG1-CE1 4.08Å; I74-W82 HydrophobicContact CB-CH2 4.47Å; I74-W82 HydrophobicContact CG1-CH2 3.81Å; I74-W82 HydrophobicContact CG1-CZ2 3.97Å; I74-W82 HydrophobicContact CG2-CH2 3.97Å; I74-W82 HydrophobicContact CG2-CZ2 4.34Å; I74-W82 WeakPolarHBondContact O-CZ2 3.28Å; I74-Y193 HydrophobicContact CD1-CD1 3.77Å; I74-Y193 HydrophobicContact CD1-CE1 3.28Å
75	E	96.9	Very high	97.5	Very high	124 Å²	124	65 Å²	65	58%	0.579	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.3	-176.2	-63.5	-179.4	-165.9	0	0	113.7	P69 P72 E77	P69-E75 HydrophobicContact CB-CG 3.75Å; P69-E75 HydrophobicContact CG-CG 4.02Å; P72-E75 WeakPolarHBondContact O-CB 3.36Å; P72-E75 PolarHBondContact O-N 3.38Å; P72-E75 VanDerWaalsContact O-N 3.13Å; E75-E77 VanDerWaalsContact C-N 3.26Å; E75-E77 PolarHBondContact O-N 3.46Å
76	Q	95.8	Very high	97.6	Very high	122 Å²	122	61.3 Å²	61.3	57%	0.57	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.8	173.1	70	-172	-49	0	0	114.4	W73 I74	W73-Q76 PolarHBondContact O-NE2 2.96Å; I74-Q76 PolarHBondContact O-N 3.11Å; I74-Q76 VanDerWaalsContact O-N 3.08Å
77	E	97.6	Very high	97.7	Very high	14 Å²	14	62.5 Å²	62.5	7%	0.065	31%	0.312	C	S	.	.	S	Bend	trans	-69.4	137.5	178.7	-69.9	-60.4	160.7	0	0	112.1	I74 E75 Y81 W82 R192 N196	I74-E77 HydrophobicContact CD1-CG 3.61Å; I74-E77 HydrophobicContact CG1-CG 4.14Å; I74-E77 WeakPolarHBondContact O-CB 3.37Å; I74-E77 WeakPolarHBondContact O-CG 3.38Å; I74-E77 PolarHBondContact O-N 3.34Å; E75-E77 VanDerWaalsContact C-N 3.26Å; E75-E77 PolarHBondContact O-N 3.46Å; E77-Y81 HydrophobicContact CB-CD1 3.54Å; E77-Y81 HydrophobicContact CB-CE1 4.12Å; E77-Y81 HydrophobicContact CB-CG 3.85Å; E77-Y81 HydrophobicContact CG-CD1 4.1Å; E77-Y81 HydrophobicContact CG-CE1 4.29Å; E77-Y81 HydrophobicContact CG-CG 4.28Å; E77-W82 HydrophobicContact CB-CZ2 4.45Å; E77-W82 PolarHBondContact O-NE1 2.72Å; E77-R192 IonicContact OE1-CZ 3.44Å; E77-R192 VanDerWaalsContact OE1-CZ 3.29Å; E77-R192 IonicContact OE1-NE 3.52Å; E77-R192 PolarHBondContact OE1-NE 3.27Å; E77-R192 IonicContact OE1-NH2 3.38Å; E77-R192 PolarHBondContact OE1-NH2 2.96Å; E77-R192 IonicContact OE2-CZ 3.38Å; E77-R192 IonicContact OE2-NE 3.61Å; E77-R192 IonicContact OE2-NH2 3.45Å; E77-R192 PolarHBondContact OE2-NH2 3.43Å; E77-N196 PolarHBondContact OE1-ND2 2.92Å
78	G	97.2	Very high	97.6	Very high	35 Å²	35	65.5 Å²	65.5	36%	0.361	33%	0.328	S	S	.	.			trans	-68.9	164.7	-172.5	0	0	0	0	0	114.1	E80 Y81 W82	G78-E80 PolarHBondContact O-N 3.35Å; G78-E80 VanDerWaalsContact O-N 3.12Å; G78-Y81 WeakPolarHBondContact O-CB 3.48Å; G78-Y81 PolarHBondContact O-N 2.95Å; G78-W82 VanDerWaalsContact O-CD1 3.28Å; G78-W82 PolarHBondContact O-N 2.82Å
79	P	97.5	Very high	97.6	Very high	99 Å²	99	63 Å²	63	64%	0.643	32%	0.317	S	S	*	.	H	α-helix	trans	-58	-31.2	-178.6	24	-34.3	0	0	0	113.1	Y81 W82 D83	P79-Y81 VanDerWaalsContact C-N 3.3Å; P79-Y81 PolarHBondContact O-N 2.91Å; P79-W82 PolarHBondContact O-N 3.17Å; P79-D83 WeakPolarHBondContact O-CB 3.35Å; P79-D83 PolarHBondContact O-N 3.12Å
80	E	97.9	Very high	97.6	Very high	172 Å²	172	64.2 Å²	64.2	80%	0.804	32%	0.317	S	S	*	.	H	α-helix	trans	-60.7	-36.5	175.9	-61	-177	171.2	0	0	112.7	G78 Q84	G78-E80 PolarHBondContact O-N 3.35Å; G78-E80 VanDerWaalsContact O-N 3.12Å; E80-Q84 WeakPolarHBondContact O-CB 3.32Å; E80-Q84 PolarHBondContact O-N 2.84Å
81	Y	98	Very high	97.6	Very high	19 Å²	19	61.4 Å²	61.4	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-50.7	174.1	169.5	-95.1	0	0	0	110.7	I74 E77 G78 P79 D83 Q84 E85 W189 Y193	I74-Y81 HydrophobicContact CD1-CE1 4.14Å; I74-Y81 HydrophobicContact CG1-CE1 4.08Å; E77-Y81 HydrophobicContact CB-CD1 3.54Å; E77-Y81 HydrophobicContact CB-CE1 4.12Å; E77-Y81 HydrophobicContact CB-CG 3.85Å; E77-Y81 HydrophobicContact CG-CD1 4.1Å; E77-Y81 HydrophobicContact CG-CE1 4.29Å; E77-Y81 HydrophobicContact CG-CG 4.28Å; G78-Y81 WeakPolarHBondContact O-CB 3.48Å; G78-Y81 PolarHBondContact O-N 2.95Å; P79-Y81 VanDerWaalsContact C-N 3.3Å; P79-Y81 PolarHBondContact O-N 2.91Å; Y81-D83 PolarHBondContact O-N 2.79Å; Y81-Q84 PolarHBondContact O-N 2.22Å; Y81-Q84 VanDerWaalsContact O-N 3.17Å; Y81-E85 HydrophobicContact CD2-CG 4.21Å; Y81-E85 HydrophobicContact CE1-CG 4.27Å; Y81-E85 HydrophobicContact CE2-CG 3.83Å; Y81-E85 PolarHBondContact O-N 2.82Å; Y81-W189 AromaticContact CD2-CH2 3.54Å; Y81-W189 HydrophobicContact CD2-CH2 3.54Å; Y81-W189 HydrophobicContact CD2-CZ2 4.1Å; Y81-W189 AromaticContact CD2-CZ3 3.92Å; Y81-W189 HydrophobicContact CD2-CZ3 3.92Å; Y81-W189 HydrophobicContact CE2-CE3 4.39Å; Y81-W189 AromaticContact CE2-CH2 3.94Å; Y81-W189 HydrophobicContact CE2-CH2 3.94Å; Y81-W189 HydrophobicContact CE2-CZ2 4.41Å; Y81-W189 AromaticContact CE2-CZ3 3.91Å; Y81-W189 HydrophobicContact CE2-CZ3 3.91Å; Y81-Y193 VanDerWaalsContact CE2-OH 3.28Å; Y81-Y193 WeakPolarHBondContact CE2-OH 3.42Å; Y81-Y193 PolarHBondContact OH-OH 2.74Å
82	W	98.4	Very high	97.7	Very high	37 Å²	37	63.1 Å²	63.1	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-39.2	-178.3	-63.9	107.6	0	0	0	113.1	V56 M67 P69 I74 E77 G78 P79 T86	V56-W82 HydrophobicContact CG1-CH2 4.01Å; V56-W82 HydrophobicContact CG1-CZ3 3.87Å; M67-W82 HydrophobicContact CB-CE3 4.21Å; M67-W82 HydrophobicContact CB-CZ3 4.48Å; M67-W82 HydrophobicContact CG-CE3 4.2Å; M67-W82 HydrophobicContact CG-CZ3 4.02Å; P69-W82 HydrophobicContact CB-CH2 3.64Å; P69-W82 HydrophobicContact CB-CZ2 4.09Å; P69-W82 HydrophobicContact CB-CZ3 4.43Å; P69-W82 HydrophobicContact CG-CH2 4.24Å; P69-W82 HydrophobicContact CG-CZ2 4.49Å; I74-W82 HydrophobicContact CB-CH2 4.47Å; I74-W82 HydrophobicContact CG1-CH2 3.81Å; I74-W82 HydrophobicContact CG1-CZ2 3.97Å; I74-W82 HydrophobicContact CG2-CH2 3.97Å; I74-W82 HydrophobicContact CG2-CZ2 4.34Å; I74-W82 WeakPolarHBondContact O-CZ2 3.28Å; E77-W82 HydrophobicContact CB-CZ2 4.45Å; E77-W82 PolarHBondContact O-NE1 2.72Å; G78-W82 VanDerWaalsContact O-CD1 3.28Å; G78-W82 PolarHBondContact O-N 2.82Å; P79-W82 PolarHBondContact O-N 3.17Å; W82-T86 WeakPolarHBondContact O-CB 3.32Å; W82-T86 PolarHBondContact O-N 2.89Å; W82-T86 PolarHBondContact O-OG1 3.29Å
83	D	98.3	Very high	97.7	Very high	71 Å²	71	59.2 Å²	59.2	38%	0.38	30%	0.301	S	S	.	.	H	α-helix	trans	-74.5	-30	174.8	-76.6	-18.4	0	0	0	111.9	R66 P79 Y81 R87	R66-D83 IonicContact CZ-OD1 3.75Å; R66-D83 IonicContact NH1-OD1 2.88Å; R66-D83 PolarHBondContact NH1-OD1 3.1Å; R66-D83 IonicContact NH2-OD1 3.89Å; P79-D83 WeakPolarHBondContact O-CB 3.35Å; P79-D83 PolarHBondContact O-N 3.12Å; Y81-D83 PolarHBondContact O-N 2.79Å; D83-R87 WeakPolarHBondContact O-CB 3.46Å; D83-R87 VanDerWaalsContact O-CG 3.25Å; D83-R87 WeakPolarHBondContact O-CG 2.96Å; D83-R87 PolarHBondContact O-N 3.4Å; D83-R87 VanDerWaalsContact O-N 3.13Å; D83-R87 PolarHBondContact O-NE 2.89Å
84	Q	97.9	Very high	97.7	Very high	78 Å²	78	62.9 Å²	62.9	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-68.2	-52	171.3	-175.5	59.3	41.2	0	0	111.8	E80 Y81 T86 R87 N88	E80-Q84 WeakPolarHBondContact O-CB 3.32Å; E80-Q84 PolarHBondContact O-N 2.84Å; Y81-Q84 PolarHBondContact O-N 2.22Å; Y81-Q84 VanDerWaalsContact O-N 3.17Å; Q84-T86 VanDerWaalsContact C-N 3.32Å; Q84-T86 PolarHBondContact O-N 2.84Å; Q84-R87 WeakPolarHBondContact O-CA 3.44Å; Q84-R87 WeakPolarHBondContact O-CB 3.34Å; Q84-R87 PolarHBondContact O-N 3.29Å; Q84-N88 PolarHBondContact NE2-OD1 2.96Å; Q84-N88 VanDerWaalsContact O-CG 3.27Å; Q84-N88 PolarHBondContact O-N 2.84Å
85	E	98	Very high	97.7	Very high	23 Å²	23	66.7 Å²	66.7	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-38.5	179.9	-73.5	-64.9	84.3	0	0	111.6	Y29 M67 Y81 R87 N88 V89	Y29-E85 PolarHBondContact OH-OE2 2.81Å; M67-E85 HydrophobicContact CB-CB 4.12Å; M67-E85 HydrophobicContact CE-CB 4.06Å; M67-E85 HydrophobicContact CG-CB 4.1Å; Y81-E85 HydrophobicContact CD2-CG 4.21Å; Y81-E85 HydrophobicContact CE1-CG 4.27Å; Y81-E85 HydrophobicContact CE2-CG 3.83Å; Y81-E85 PolarHBondContact O-N 2.82Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 3.18Å; E85-N88 PolarHBondContact O-N 3.18Å; E85-N88 PolarHBondContact OE1-ND2 3.29Å; E85-V89 WeakPolarHBondContact O-CG2 3.35Å; E85-V89 PolarHBondContact O-N 2.01Å
86	T	98.6	Very high	97.7	Very high	11 Å²	11	61 Å²	61	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-38.5	171.6	-63.2	0	0	0	0	112.1	R66 M67 W82 Q84 K90	R66-T86 HydrophobicContact CG-CG2 4.21Å; M67-T86 PolarHBondContact N-OG1 2.93Å; W82-T86 WeakPolarHBondContact O-CB 3.32Å; W82-T86 PolarHBondContact O-N 2.89Å; W82-T86 PolarHBondContact O-OG1 3.29Å; Q84-T86 VanDerWaalsContact C-N 3.32Å; Q84-T86 PolarHBondContact O-N 2.84Å; T86-K90 HydrophobicContact CG2-CD 4.06Å; T86-K90 VanDerWaalsContact O-CB 3.26Å; T86-K90 WeakPolarHBondContact O-CB 3Å; T86-K90 VanDerWaalsContact O-CG 3.29Å; T86-K90 WeakPolarHBondContact O-CG 3.44Å; T86-K90 PolarHBondContact O-N 2.97Å
87	R	98.4	Very high	97.8	Very high	155 Å²	155	58 Å²	58	59%	0.585	30%	0.3	S	S	*	.	H	α-helix	trans	-69.5	-42.3	174.2	-75.7	-177.2	-60.8	-176.9	3.4	111.9	D83 Q84 E85 K90 A91	D83-R87 WeakPolarHBondContact O-CB 3.46Å; D83-R87 VanDerWaalsContact O-CG 3.25Å; D83-R87 WeakPolarHBondContact O-CG 2.96Å; D83-R87 PolarHBondContact O-N 3.4Å; D83-R87 VanDerWaalsContact O-N 3.13Å; D83-R87 PolarHBondContact O-NE 2.89Å; Q84-R87 WeakPolarHBondContact O-CA 3.44Å; Q84-R87 WeakPolarHBondContact O-CB 3.34Å; Q84-R87 PolarHBondContact O-N 3.29Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 3.18Å; R87-K90 PolarHBondContact O-N 2.68Å; R87-A91 WeakPolarHBondContact O-CB 3.14Å; R87-A91 PolarHBondContact O-N 3.06Å
88	N	97.3	Very high	97.8	Very high	70 Å²	70	62.9 Å²	62.9	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-57.7	-54.6	179.2	-70.6	-16.1	0	0	0	111.3	Q84 E85 K90 A91 H92	Q84-N88 PolarHBondContact NE2-OD1 2.96Å; Q84-N88 VanDerWaalsContact O-CG 3.27Å; Q84-N88 PolarHBondContact O-N 2.84Å; E85-N88 PolarHBondContact O-N 3.18Å; E85-N88 PolarHBondContact OE1-ND2 3.29Å; N88-K90 PolarHBondContact O-N 2.96Å; N88-A91 PolarHBondContact O-N 2.86Å; N88-H92 PolarHBondContact O-N 2.93Å
89	V	97.9	Very high	97.8	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-70	-31.3	-179.4	-59.5	0	0	0	0	113	F31 F44 A46 F58 M67 E85 H92 S93	F31-V89 HydrophobicContact CE1-CG1 4.42Å; F31-V89 HydrophobicContact CZ-CG1 4.17Å; F44-V89 HydrophobicContact CE1-CB 3.99Å; F44-V89 HydrophobicContact CZ-CB 4.33Å; A46-V89 HydrophobicContact CB-CG1 4.23Å; F58-V89 HydrophobicContact CB-CG2 3.89Å; F58-V89 HydrophobicContact CD1-CG2 4.08Å; F58-V89 HydrophobicContact CD2-CG2 3.32Å; F58-V89 HydrophobicContact CE1-CG2 4.47Å; F58-V89 HydrophobicContact CE2-CG2 3.77Å; F58-V89 HydrophobicContact CG-CB 4.36Å; F58-V89 HydrophobicContact CG-CG2 3.5Å; F58-V89 HydrophobicContact CZ-CG2 4.33Å; M67-V89 HydrophobicContact CE-CG1 3.53Å; E85-V89 WeakPolarHBondContact O-CG2 3.35Å; E85-V89 PolarHBondContact O-N 2.01Å; V89-H92 PolarHBondContact O-N 2.9Å; V89-S93 PolarHBondContact O-N 2.8Å
90	K	98.2	Very high	97.8	Very high	74 Å²	74	58.8 Å²	58.8	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-65.3	-43	172.3	-82	178.8	164.5	169.1	0	111.9	F58 Q65 T86 R87 N88 S93 Q94	F58-K90 HydrophobicContact CE2-CG 4.01Å; F58-K90 HydrophobicContact CZ-CG 3.9Å; Q65-K90 WeakPolarHBondContact O-CE 3.19Å; Q65-K90 PolarHBondContact O-NZ 2.8Å; T86-K90 HydrophobicContact CG2-CD 4.06Å; T86-K90 VanDerWaalsContact O-CB 3.26Å; T86-K90 WeakPolarHBondContact O-CB 3Å; T86-K90 VanDerWaalsContact O-CG 3.29Å; T86-K90 WeakPolarHBondContact O-CG 3.44Å; T86-K90 PolarHBondContact O-N 2.97Å; R87-K90 PolarHBondContact O-N 2.68Å; N88-K90 PolarHBondContact O-N 2.96Å; K90-S93 PolarHBondContact O-N 3.21Å; K90-S93 PolarHBondContact O-OG 3.29Å; K90-Q94 PolarHBondContact O-N 2.91Å
91	A	98.1	Very high	97.8	Very high	60 Å²	60	56.1 Å²	56.1	50%	0.496	27%	0.273	S	S	.	.	H	α-helix	trans	-59.8	-47	172.4	0	0	0	0	0	111.1	R87 N88 S93 Q94 T95	R87-A91 WeakPolarHBondContact O-CB 3.14Å; R87-A91 PolarHBondContact O-N 3.06Å; N88-A91 PolarHBondContact O-N 2.86Å; A91-S93 PolarHBondContact O-N 3Å; A91-Q94 PolarHBondContact O-N 2.72Å; A91-T95 PolarHBondContact O-N 3.46Å; A91-T95 VanDerWaalsContact O-N 3.15Å; A91-T95 PolarHBondContact O-OG1 2.9Å
92	H	97.5	Very high	97.7	Very high	41 Å²	41	57 Å²	57	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-42.7	179	-152.5	106.9	0	0	0	112.9	F31 F44 N88 V89 Q94 T95 D96 M119	F31-H92 HydrophobicContact CD2-CB 4.46Å; F31-H92 AromaticContact CD2-CD2 3.57Å; F31-H92 AromaticContact CD2-CE1 3.84Å; F31-H92 AromaticContact CD2-CG 3.72Å; F31-H92 AromaticContact CD2-ND1 3.89Å; F31-H92 AromaticContact CD2-NE2 3.66Å; F31-H92 HydrophobicContact CE2-CB 4.11Å; F31-H92 AromaticContact CE2-CD2 3.96Å; F31-H92 AromaticContact CE2-CE1 3.87Å; F31-H92 AromaticContact CE2-CG 3.59Å; F31-H92 AromaticContact CE2-ND1 3.55Å; F44-H92 HydrophobicContact CE2-CB 4.38Å; F44-H92 HydrophobicContact CZ-CB 4.38Å; N88-H92 PolarHBondContact O-N 2.93Å; V89-H92 PolarHBondContact O-N 2.9Å; H92-Q94 PolarHBondContact O-N 3.36Å; H92-T95 CarbonylContact O-C 3.59Å; H92-T95 WeakPolarHBondContact O-CA 3.33Å; H92-T95 WeakPolarHBondContact O-CB 3.24Å; H92-T95 PolarHBondContact O-N 3.06Å; H92-D96 IonicContact CD2-OD1 3.93Å; H92-D96 PolarHBondContact CD2-OD1 3.35Å; H92-D96 IonicContact NE2-OD1 2.74Å; H92-D96 PolarHBondContact O-N 2.87Å; H92-M119 PolarHBondContact CE1-SD 3.41Å
93	S	97.7	Very high	97.6	Very high	18 Å²	18	55.6 Å²	55.6	13%	0.126	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-25.9	175.9	72.4	0	0	0	0	114.2	F44 V89 K90 A91 R97	F44-S93 VanDerWaalsContact CG-CB 3.46Å; V89-S93 PolarHBondContact O-N 2.8Å; K90-S93 PolarHBondContact O-N 3.21Å; K90-S93 PolarHBondContact O-OG 3.29Å; A91-S93 PolarHBondContact O-N 3Å; S93-R97 VanDerWaalsContact O-CB 3.25Å; S93-R97 WeakPolarHBondContact O-CB 3.34Å; S93-R97 PolarHBondContact O-N 2.95Å
94	Q	97.6	Very high	97.6	Very high	95 Å²	95	53.6 Å²	53.6	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-78.8	-36	172	-63.3	-52.6	-64.6	0	0	111.8	K90 A91 H92 R97 E98	K90-Q94 PolarHBondContact O-N 2.91Å; A91-Q94 PolarHBondContact O-N 2.72Å; H92-Q94 PolarHBondContact O-N 3.36Å; Q94-R97 PolarHBondContact O-N 3.01Å; Q94-R97 VanDerWaalsContact OE1-CZ 3.29Å; Q94-E98 PolarHBondContact O-N 2.89Å; Q94-E98 VanDerWaalsContact O-N 3.15Å
95	T	97.3	Very high	97.5	Very high	80 Å²	80	57.8 Å²	57.8	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-51.4	171.8	-54.5	0	0	0	0	110.8	A91 H92 R97 E98 S99	A91-T95 PolarHBondContact O-N 3.46Å; A91-T95 VanDerWaalsContact O-N 3.15Å; A91-T95 PolarHBondContact O-OG1 2.9Å; H92-T95 CarbonylContact O-C 3.59Å; H92-T95 WeakPolarHBondContact O-CA 3.33Å; H92-T95 WeakPolarHBondContact O-CB 3.24Å; H92-T95 PolarHBondContact O-N 3.06Å; T95-R97 VanDerWaalsContact C-N 3.28Å; T95-R97 PolarHBondContact O-N 2.94Å; T95-E98 PolarHBondContact O-N 3.36Å; T95-S99 PolarHBondContact O-N 3.24Å; T95-S99 PolarHBondContact O-OG 2.87Å
96	D	97.5	Very high	97.5	Very high	5 Å²	5	59 Å²	59	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-41.1	176.5	-81.6	2.4	0	0	0	112.8	S33 F44 H92 E98 S99 L100	S33-D96 VanDerWaalsContact CB-OD2 3.3Å; S33-D96 WeakPolarHBondContact CB-OD2 3.28Å; S33-D96 WeakPolarHBondContact OG-CB 3.26Å; S33-D96 VanDerWaalsContact OG-CG 3.3Å; S33-D96 PolarHBondContact OG-OD2 3.19Å; F44-D96 WeakPolarHBondContact CD2-OD2 3.46Å; F44-D96 WeakPolarHBondContact CE2-OD2 3.22Å; H92-D96 IonicContact CD2-OD1 3.93Å; H92-D96 PolarHBondContact CD2-OD1 3.35Å; H92-D96 IonicContact NE2-OD1 2.74Å; H92-D96 PolarHBondContact O-N 2.87Å; D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 2.81Å; D96-S99 PolarHBondContact O-N 2.84Å; D96-L100 WeakPolarHBondContact O-CB 3.42Å; D96-L100 WeakPolarHBondContact O-CG 3.34Å; D96-L100 PolarHBondContact O-N 2.9Å
97	R	97.4	Very high	97.4	Very high	58 Å²	58	61.6 Å²	61.6	22%	0.219	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-30.6	178.2	-176.8	177.7	93.7	106	-12.6	112.7	E41 P42 S93 Q94 T95 R101	E41-R97 IonicContact OE1-CZ 3.01Å; E41-R97 IonicContact OE1-NH1 2.85Å; E41-R97 PolarHBondContact OE1-NH1 2.82Å; E41-R97 VanDerWaalsContact OE2-CD 3.29Å; E41-R97 WeakPolarHBondContact OE2-CD 3.47Å; E41-R97 IonicContact OE2-CZ 3.84Å; E41-R97 IonicContact OE2-NE 2.83Å; E41-R97 IonicContact OE2-NH1 2.72Å; E41-R97 PolarHBondContact OE2-NH1 2.93Å; P42-R97 HydrophobicContact CG-CG 4.21Å; S93-R97 VanDerWaalsContact O-CB 3.25Å; S93-R97 WeakPolarHBondContact O-CB 3.34Å; S93-R97 PolarHBondContact O-N 2.95Å; Q94-R97 PolarHBondContact O-N 3.01Å; Q94-R97 VanDerWaalsContact OE1-CZ 3.29Å; T95-R97 VanDerWaalsContact C-N 3.28Å; T95-R97 PolarHBondContact O-N 2.94Å; R97-R101 WeakPolarHBondContact O-CD 3.45Å; R97-R101 WeakPolarHBondContact O-CG 3.44Å
98	E	97.3	Very high	97.3	Very high	117 Å²	117	61.2 Å²	61.2	55%	0.547	30%	0.299	S	S	.	.	H	α-helix	trans	-80.5	-42.7	169.4	-169.6	171.8	171.8	0	0	111.7	Q94 T95 D96 L100 R101 I102	Q94-E98 PolarHBondContact O-N 2.89Å; Q94-E98 VanDerWaalsContact O-N 3.15Å; T95-E98 PolarHBondContact O-N 3.36Å; D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 2.81Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.2Å; E98-R101 CarbonylContact O-C 3.57Å; E98-R101 WeakPolarHBondContact O-CA 3.37Å; E98-R101 WeakPolarHBondContact O-CB 3.5Å; E98-R101 PolarHBondContact O-N 2.03Å; E98-I102 HydrophobicContact CG-CD1 3.98Å; E98-I102 HydrophobicContact CG-CG1 4.4Å; E98-I102 WeakPolarHBondContact O-CG1 3.2Å; E98-I102 PolarHBondContact O-N 3.27Å
99	S	97.5	Very high	97.3	Very high	42 Å²	42	60.8 Å²	60.8	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-56.1	-41.8	176.8	-64.9	0	0	0	0	112.5	T95 D96 R101 I102 A103 I117	T95-S99 PolarHBondContact O-N 3.24Å; T95-S99 PolarHBondContact O-OG 2.87Å; D96-S99 PolarHBondContact O-N 2.84Å; S99-R101 VanDerWaalsContact C-N 3.32Å; S99-R101 PolarHBondContact O-N 2.93Å; S99-I102 CarbonylContact O-C 3.52Å; S99-I102 WeakPolarHBondContact O-CB 3.35Å; S99-I102 PolarHBondContact O-N 2.99Å; S99-I102 VanDerWaalsContact O-N 3.08Å; S99-A103 WeakPolarHBondContact O-CB 3.44Å; S99-A103 PolarHBondContact O-N 3.38Å; S99-I117 VanDerWaalsContact CB-CD1 3.48Å
100	L	97.9	Very high	97.2	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-57.1	-42.2	172.5	-79.3	165.7	0	0	0	112	P42 D96 E98 I102 L104 H115 I117 Y140	P42-L100 HydrophobicContact CB-CD1 3.73Å; P42-L100 HydrophobicContact CG-CD1 3.66Å; D96-L100 WeakPolarHBondContact O-CB 3.42Å; D96-L100 WeakPolarHBondContact O-CG 3.34Å; D96-L100 PolarHBondContact O-N 2.9Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.2Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.36Å; L100-L104 PolarHBondContact O-N 3.05Å; L100-L104 VanDerWaalsContact O-N 3.14Å; L100-H115 HydrophobicContact CD2-CB 4.17Å; L100-I117 HydrophobicContact CD2-CD1 4.09Å; L100-I117 HydrophobicContact CD2-CG1 3.87Å; L100-I117 HydrophobicContact CG-CD1 3.9Å; L100-I117 HydrophobicContact CG-CG1 4.17Å; L100-Y140 HydrophobicContact CD2-CE2 4.2Å
101	R	96.5	Very high	96.9	Very high	117 Å²	117	69 Å²	69	44%	0.442	34%	0.343	S	S	.	.	H	α-helix	trans	-73.7	-23.5	177.1	-62.1	169.5	-177.9	160.7	2.2	112.5	E41 R97 E98 S99 R105	E41-R101 IonicContact OE2-NH2 3.81Å; E41-R101 PolarHBondContact OE2-NH2 2.89Å; R97-R101 WeakPolarHBondContact O-CD 3.45Å; R97-R101 WeakPolarHBondContact O-CG 3.44Å; E98-R101 CarbonylContact O-C 3.57Å; E98-R101 WeakPolarHBondContact O-CA 3.37Å; E98-R101 WeakPolarHBondContact O-CB 3.5Å; E98-R101 PolarHBondContact O-N 2.03Å; S99-R101 VanDerWaalsContact C-N 3.32Å; S99-R101 PolarHBondContact O-N 2.93Å; R101-R105 PolarHBondContact O-NE 2.83Å; R101-R105 PolarHBondContact O-NH2 2.89Å
102	I	96.8	Very high	96.7	Very high	38 Å²	38	70 Å²	70	20%	0.195	35%	0.351	C	S	.	.	H	α-helix	trans	-77.1	-48.6	172.7	-69.3	169	0	0	0	110	E98 S99 L100 L104 R105 Y106	E98-I102 HydrophobicContact CG-CD1 3.98Å; E98-I102 HydrophobicContact CG-CG1 4.4Å; E98-I102 WeakPolarHBondContact O-CG1 3.2Å; E98-I102 PolarHBondContact O-N 3.27Å; S99-I102 CarbonylContact O-C 3.52Å; S99-I102 WeakPolarHBondContact O-CB 3.35Å; S99-I102 PolarHBondContact O-N 2.99Å; S99-I102 VanDerWaalsContact O-N 3.08Å; L100-I102 VanDerWaalsContact C-N 3.32Å; I102-L104 PolarHBondContact O-N 3.47Å; I102-R105 PolarHBondContact O-N 2.98Å; I102-Y106 HydrophobicContact CG2-CD1 4.13Å; I102-Y106 HydrophobicContact CG2-CD2 4.08Å; I102-Y106 HydrophobicContact CG2-CE1 3.59Å; I102-Y106 HydrophobicContact CG2-CE2 3.54Å; I102-Y106 HydrophobicContact CG2-CG 4.35Å; I102-Y106 WeakPolarHBondContact CG2-OH 3.44Å; I102-Y106 PolarHBondContact O-N 2.95Å
103	A	96.9	Very high	96.6	Very high	6 Å²	6	69.1 Å²	69.1	5%	0.05	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-48.5	179.9	0	0	0	0	0	112	S99 R105 Y106 Y107 Y140	S99-A103 WeakPolarHBondContact O-CB 3.44Å; S99-A103 PolarHBondContact O-N 3.38Å; A103-R105 PolarHBondContact O-N 2.98Å; A103-R105 VanDerWaalsContact O-N 3.07Å; A103-Y106 PolarHBondContact O-N 3.49Å; A103-Y107 HydrophobicContact CB-CD2 4.41Å; A103-Y107 WeakPolarHBondContact O-CD2 3.11Å; A103-Y107 PolarHBondContact O-N 2.97Å; A103-Y140 HydrophobicContact CB-CD1 4.3Å; A103-Y140 HydrophobicContact CB-CD2 4.2Å; A103-Y140 HydrophobicContact CB-CE1 3.83Å; A103-Y140 HydrophobicContact CB-CE2 3.76Å; A103-Y140 HydrophobicContact CB-CG 4.46Å
104	L	96.8	Very high	96.6	Very high	30 Å²	30	72.2 Å²	72.2	16%	0.157	38%	0.375	C	S	.	.	H	α-helix	trans	-47	-41.2	173.4	-81.3	173.7	0	0	0	113	L100 I102 N108 Q109 H115	L100-L104 WeakPolarHBondContact O-CG 3.36Å; L100-L104 PolarHBondContact O-N 3.05Å; L100-L104 VanDerWaalsContact O-N 3.14Å; I102-L104 PolarHBondContact O-N 3.47Å; L104-N108 WeakPolarHBondContact O-CA 3.32Å; L104-N108 PolarHBondContact O-N 3.31Å; L104-Q109 HydrophobicContact CD2-CB 3.59Å; L104-Q109 PolarHBondContact O-N 2.91Å; L104-H115 VanDerWaalsContact CD2-CD2 3.45Å; L104-H115 WeakPolarHBondContact CD2-CD2 3.39Å
105	R	96.6	Very high	96.6	Very high	165 Å²	165	68.5 Å²	68.5	62%	0.623	36%	0.357	S	S	*	.	H	α-helix	trans	-80.3	-34.4	-179.5	-68.6	178.2	-68.5	-169.3	2.2	113	R101 I102 A103	R101-R105 PolarHBondContact O-NE 2.83Å; R101-R105 PolarHBondContact O-NH2 2.89Å; I102-R105 PolarHBondContact O-N 2.98Å; A103-R105 PolarHBondContact O-N 2.98Å; A103-R105 VanDerWaalsContact O-N 3.07Å
106	Y	97.3	Very high	96.7	Very high	48 Å²	48	66.3 Å²	66.3	19%	0.188	34%	0.344	C	S	.	.	H	α-helix	trans	-66.8	-38.6	174.4	-67.4	-7.7	0	0	0	111.7	I102 A103 Y145 A161 I164 K168	I102-Y106 HydrophobicContact CG2-CD1 4.13Å; I102-Y106 HydrophobicContact CG2-CD2 4.08Å; I102-Y106 HydrophobicContact CG2-CE1 3.59Å; I102-Y106 HydrophobicContact CG2-CE2 3.54Å; I102-Y106 HydrophobicContact CG2-CG 4.35Å; I102-Y106 WeakPolarHBondContact CG2-OH 3.44Å; I102-Y106 PolarHBondContact O-N 2.95Å; A103-Y106 PolarHBondContact O-N 3.49Å; Y106-Y145 WeakPolarHBondContact CE2-OH 3.49Å; Y106-A161 HydrophobicContact CD2-CB 4.18Å; Y106-A161 HydrophobicContact CG-CB 4.41Å; Y106-I164 HydrophobicContact CD1-CD1 4.06Å; Y106-I164 HydrophobicContact CD2-CD1 4.42Å; Y106-I164 HydrophobicContact CE1-CB 4.42Å; Y106-I164 HydrophobicContact CE1-CD1 4.19Å; Y106-I164 HydrophobicContact CE1-CG2 3.96Å; Y106-I164 HydrophobicContact CE2-CB 3.94Å; Y106-I164 HydrophobicContact CE2-CG2 4.18Å; Y106-I164 HydrophobicContact CG-CD1 4.18Å; Y106-I164 WeakPolarHBondContact OH-CG2 3.4Å; Y106-K168 PolarHBondContact OH-NZ 2.89Å
107	Y	97.4	Very high	96.7	Very high	67 Å²	67	66.8 Å²	66.8	26%	0.263	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.1	-179.2	-68.9	-69.7	0	0	0	114.5	A103 Q109 Y140 Y145 D159 A161	A103-Y107 HydrophobicContact CB-CD2 4.41Å; A103-Y107 WeakPolarHBondContact O-CD2 3.11Å; A103-Y107 PolarHBondContact O-N 2.97Å; Y107-Q109 VanDerWaalsContact C-N 3.26Å; Y107-Q109 PolarHBondContact O-N 3.2Å; Y107-Y140 AromaticContact CD2-CD1 3.71Å; Y107-Y140 HydrophobicContact CD2-CD1 3.71Å; Y107-Y140 AromaticContact CD2-CE1 3.47Å; Y107-Y140 HydrophobicContact CD2-CE1 3.47Å; Y107-Y140 VanDerWaalsContact CD2-CE1 3.47Å; Y107-Y140 AromaticContact CE2-CD1 3.43Å; Y107-Y140 HydrophobicContact CE2-CD1 3.43Å; Y107-Y140 VanDerWaalsContact CE2-CD1 3.43Å; Y107-Y140 AromaticContact CE2-CE1 3.73Å; Y107-Y140 HydrophobicContact CE2-CE1 3.73Å; Y107-Y140 HydrophobicContact CE2-CG 4.46Å; Y107-Y140 HydrophobicContact CG-CE1 4.38Å; Y107-Y145 HydrophobicContact CE2-CD2 4.38Å; Y107-Y145 HydrophobicContact CE2-CE2 4.03Å; Y107-Y145 VanDerWaalsContact OH-CD2 3.3Å; Y107-Y145 WeakPolarHBondContact OH-CD2 3.37Å; Y107-Y145 WeakPolarHBondContact OH-CE2 3.44Å; Y107-D159 WeakPolarHBondContact CE1-OD2 3.21Å; Y107-D159 VanDerWaalsContact OH-CG 3.31Å; Y107-D159 PolarHBondContact OH-OD1 2.8Å; Y107-D159 PolarHBondContact OH-OD2 2.87Å; Y107-A161 HydrophobicContact CD1-CB 4.32Å; Y107-A161 HydrophobicContact CE1-CB 3.75Å; Y107-A161 HydrophobicContact CE2-CB 4.02Å
108	N	96.6	Very high	96.8	Very high	147 Å²	147	67.8 Å²	67.8	79%	0.786	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	37.9	-177.8	-53.7	-87.5	0	0	0	113.3	L104	L104-N108 WeakPolarHBondContact O-CA 3.32Å; L104-N108 PolarHBondContact O-N 3.31Å
109	Q	96.8	Very high	96.9	Very high	61 Å²	61	63 Å²	63	29%	0.285	33%	0.331	S	S	.	.			trans	-85.2	162.2	-178.8	-71.3	161.6	-47	0	0	112	L104 Y107 H115 Y140 D141	L104-Q109 HydrophobicContact CD2-CB 3.59Å; L104-Q109 PolarHBondContact O-N 2.91Å; Y107-Q109 VanDerWaalsContact C-N 3.26Å; Y107-Q109 PolarHBondContact O-N 3.2Å; Q109-H115 VanDerWaalsContact CD-CE1 3.49Å; Q109-H115 PolarHBondContact NE2-CE1 3.32Å; Q109-H115 PolarHBondContact NE2-ND1 3.49Å; Q109-Y140 PolarHBondContact OE1-OH 2.83Å; Q109-D141 PolarHBondContact NE2-OD2 2.95Å
110	S	94.8	Very high	96.9	Very high	81 Å²	81	62 Å²	62	57%	0.566	32%	0.322	S	S	*	.			trans	-84.8	138	179.8	-178.4	0	0	0	0	111.9	A112 G113	S110-A112 PolarHBondContact O-N 3.45Å; S110-A112 PolarHBondContact OG-N 3.23Å; S110-G113 PolarHBondContact O-N 3.46Å
111	E	93.2	Very high	96.9	Very high	168 Å²	168	63.4 Å²	63.4	79%	0.785	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.3	173.5	-59.9	-171.8	162.4	0	0	114	P37 G113	P37-E111 WeakPolarHBondContact CB-O 3.36Å; P37-E111 WeakPolarHBondContact CG-O 3.5Å; E111-G113 VanDerWaalsContact C-N 3.28Å
112	A	94.1	Very high	97	Very high	82 Å²	82	57.8 Å²	57.8	68%	0.678	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.6	171.7	0	0	0	0	0	113.5	S110	S110-A112 PolarHBondContact O-N 3.45Å; S110-A112 PolarHBondContact OG-N 3.23Å
113	G	94.5	Very high	97.1	Very high	22 Å²	22	56 Å²	56	23%	0.227	30%	0.297	C	S	.	.	S	Bend	trans	-78	138.2	180	0	0	0	0	0	113.9	S35 P37 S110 E111 H115	S35-G113 PolarHBondContact OG-O 3.23Å; P37-G113 WeakPolarHBondContact CG-O 3.33Å; S110-G113 PolarHBondContact O-N 3.46Å; E111-G113 VanDerWaalsContact C-N 3.28Å; G113-H115 VanDerWaalsContact C-CD2 3.47Å; G113-H115 PolarHBondContact O-CD2 3.09Å
114	S	97.6	Very high	97.2	Very high	83 Å²	83	57.1 Å²	57.1	58%	0.58	30%	0.302	S	S	*	.			trans	-81.3	123.4	163.3	-172	0	0	0	0	108	S35	S35-S114 PolarHBondContact O-OG 3.21Å
115	H	98.3	Very high	97.2	Very high	17 Å²	17	55.8 Å²	55.8	8%	0.079	30%	0.295	C	S	.	.			trans	-131.5	152.2	-175.1	-68.6	-76.4	0	0	0	111	S35 L100 L104 Q109 G113 Y140 D141	S35-H115 PolarHBondContact N-O 3.26Å; S35-H115 PolarHBondContact OG-N 3.11Å; L100-H115 HydrophobicContact CD2-CB 4.17Å; L104-H115 VanDerWaalsContact CD2-CD2 3.45Å; L104-H115 WeakPolarHBondContact CD2-CD2 3.39Å; Q109-H115 VanDerWaalsContact CD-CE1 3.49Å; Q109-H115 PolarHBondContact NE2-CE1 3.32Å; Q109-H115 PolarHBondContact NE2-ND1 3.49Å; G113-H115 VanDerWaalsContact C-CD2 3.47Å; G113-H115 PolarHBondContact O-CD2 3.09Å; H115-Y140 HydrophobicContact CB-CE2 4Å; H115-Y140 WeakPolarHBondContact CB-OH 3.43Å; H115-Y140 PolarHBondContact ND1-OH 2.72Å; H115-D141 VanDerWaalsContact CA-OD1 3.23Å; H115-D141 WeakPolarHBondContact CA-OD1 3.44Å; H115-D141 WeakPolarHBondContact CB-OD1 3.37Å; H115-D141 IonicContact CE1-OD2 2.73Å; H115-D141 IonicContact CG-OD1 3.51Å; H115-D141 IonicContact CG-OD2 3.84Å; H115-D141 IonicContact ND1-OD1 3.59Å; H115-D141 PolarHBondContact ND1-OD1 2.89Å; H115-D141 IonicContact ND1-OD2 3.71Å; H115-D141 PolarHBondContact ND1-OD2 3.3Å
116	T	98.7	Very high	97.2	Very high	34 Å²	34	48.1 Å²	48.1	21%	0.209	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127	-171.8	-56.6	0	0	0	0	111.3	T32 S33 V34 Q118 Y140 D141	T32-T116 HydrophobicContact CG2-CG2 4.12Å; S33-T116 CarbonylContact O-C 3.59Å; S33-T116 WeakPolarHBondContact O-CA 3.44Å; V34-T116 HydrophobicContact CG2-CG2 4.17Å; T116-Q118 HydrophobicContact CG2-CG 3.95Å; T116-Y140 WeakPolarHBondContact O-CA 3.24Å; T116-Y140 VanDerWaalsContact O-CD2 3.24Å; T116-Y140 WeakPolarHBondContact O-CD2 3.43Å; T116-D141 PolarHBondContact N-OD1 3.16Å; T116-D141 PolarHBondContact O-N 3.44Å
117	I	98.6	Very high	96.9	Very high	14 Å²	14	51 Å²	51	7%	0.072	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.9	161.6	-71.3	178.3	0	0	0	108.4	T32 S33 S99 L100 A139 Y140	T32-I117 WeakPolarHBondContact CA-O 3.21Å; S33-I117 PolarHBondContact N-O 3.17Å; S33-I117 PolarHBondContact O-N 3.41Å; S99-I117 VanDerWaalsContact CB-CD1 3.48Å; L100-I117 HydrophobicContact CD2-CD1 4.09Å; L100-I117 HydrophobicContact CD2-CG1 3.87Å; L100-I117 HydrophobicContact CG-CD1 3.9Å; L100-I117 HydrophobicContact CG-CG1 4.17Å; I117-A139 WeakPolarHBondContact CA-O 3.34Å; I117-Y140 HydrophobicContact CG1-CD2 3.71Å; I117-Y140 HydrophobicContact CG1-CE2 4.18Å
118	Q	98.8	Very high	96.6	Very high	80 Å²	80	52 Å²	52	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.5	170.5	-63.4	171.8	-102.7	0	0	108.7	F31 T32 T116 D138 A139	F31-Q118 WeakPolarHBondContact O-CA 3.13Å; T32-Q118 HydrophobicContact CG2-CG 4.08Å; T116-Q118 HydrophobicContact CG2-CG 3.95Å; Q118-D138 CarbonylContact O-C 3.52Å; Q118-D138 WeakPolarHBondContact O-CA 3.43Å; Q118-A139 HydrophobicContact CB-CB 4.38Å; Q118-A139 PolarHBondContact N-O 2.77Å; Q118-A139 PolarHBondContact O-N 3.45Å
119	M	98.3	Very high	96.4	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.4	172.9	179	-176.3	-76.3	0	0	109.4	F30 F31 H92 Y121 Q136 Q137 D138	F30-M119 WeakPolarHBondContact CA-O 3.44Å; F31-M119 HydrophobicContact CB-CB 4.38Å; F31-M119 PolarHBondContact N-O 3.42Å; F31-M119 PolarHBondContact O-N 3.04Å; H92-M119 PolarHBondContact CE1-SD 3.41Å; M119-Y121 HydrophobicContact CG-CD1 4.32Å; M119-Y121 HydrophobicContact SD-CD1 3.97Å; M119-Q136 PolarHBondContact SD-NE2 3.4Å; M119-Q136 PolarHBondContact SD-OE1 2.79Å; M119-Q137 CarbonylContact C-O 3.53Å; M119-Q137 WeakPolarHBondContact CA-O 3.33Å; M119-D138 WeakPolarHBondContact CE-OD1 3.46Å
120	M	98.6	Very high	96.3	Very high	20 Å²	20	50.9 Å²	50.9	10%	0.099	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.2	166.4	-171.3	-78.4	-65.3	0	0	109.6	Y29 F30 Y135 Q136 Q137	Y29-M120 WeakPolarHBondContact O-CA 3.4Å; F30-M120 HydrophobicContact CD1-CB 4Å; F30-M120 HydrophobicContact CD1-CG 3.55Å; F30-M120 HydrophobicContact CE1-CB 4.21Å; F30-M120 HydrophobicContact CE1-CG 3.36Å; F30-M120 HydrophobicContact CG-CG 4.33Å; F30-M120 HydrophobicContact CZ-CG 4Å; M120-Y135 HydrophobicContact CE-CD1 3.83Å; M120-Y135 HydrophobicContact CE-CG 4.04Å; M120-Q136 CarbonylContact O-C 3.53Å; M120-Q136 WeakPolarHBondContact O-CA 3.48Å; M120-Q136 PolarHBondContact O-OE1 3.46Å; M120-Q137 HydrophobicContact CB-CG 4.03Å; M120-Q137 HydrophobicContact CE-CG 3.85Å; M120-Q137 PolarHBondContact N-O 2.88Å; M120-Q137 PolarHBondContact O-N 2.68Å
121	Y	98.6	Very high	96.5	Very high	35 Å²	35	49.4 Å²	49.4	14%	0.137	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	158.6	170.6	69.3	-91.3	0	0	0	111.3	R28 Y29 F31 M119 Y135 Y181	R28-Y121 WeakPolarHBondContact CA-O 3.34Å; Y29-Y121 VanDerWaalsContact CB-CZ 3.43Å; Y29-Y121 HydrophobicContact CD2-CD2 4.31Å; Y29-Y121 AromaticContact CD2-CE2 3.55Å; Y29-Y121 HydrophobicContact CD2-CE2 3.55Å; Y29-Y121 AromaticContact CD2-CZ 3.84Å; Y29-Y121 HydrophobicContact CE2-CE2 4.26Å; Y29-Y121 HydrophobicContact CG-CE1 4.3Å; Y29-Y121 AromaticContact CG-CE2 3.84Å; Y29-Y121 HydrophobicContact CG-CE2 3.84Å; Y29-Y121 AromaticContact CG-CZ 3.63Å; Y29-Y121 PolarHBondContact N-O 3.07Å; Y29-Y121 PolarHBondContact O-N 2.92Å; Y29-Y121 VanDerWaalsContact O-N 3.13Å; F31-Y121 HydrophobicContact CD2-CE1 4.27Å; F31-Y121 HydrophobicContact CE1-CE1 4.15Å; F31-Y121 AromaticContact CE2-CE1 3.67Å; F31-Y121 HydrophobicContact CE2-CE1 3.67Å; F31-Y121 AromaticContact CZ-CE1 3.6Å; F31-Y121 HydrophobicContact CZ-CE1 3.6Å; F31-Y121 AromaticContact CZ-CZ 3.93Å; F31-Y121 WeakPolarHBondContact CZ-OH 3.47Å; M119-Y121 HydrophobicContact CG-CD1 4.32Å; M119-Y121 HydrophobicContact SD-CD1 3.97Å; Y121-Y135 VanDerWaalsContact CA-O 3.26Å; Y121-Y135 WeakPolarHBondContact CA-O 3.37Å; Y121-Y135 WeakPolarHBondContact CB-O 3.3Å; Y121-Y181 AromaticContact CD2-CE1 3.94Å; Y121-Y181 HydrophobicContact CD2-CE1 3.94Å; Y121-Y181 AromaticContact CE2-CE1 3.89Å; Y121-Y181 HydrophobicContact CE2-CE1 3.89Å
122	G	98.6	Very high	96.7	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-179.1	-178.7	0	0	0	0	0	114.2	M27 G134 Y135 L182	M27-G122 CarbonylContact O-C 3.6Å; M27-G122 WeakPolarHBondContact O-CA 3.39Å; G122-G134 CarbonylContact O-C 3.6Å; G122-Y135 PolarHBondContact N-O 2.83Å; G122-Y135 VanDerWaalsContact N-O 3.13Å; G122-Y135 PolarHBondContact O-N 3.28Å; G122-L182 WeakPolarHBondContact O-CD2 3.4Å
123	C	98.6	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.3	-178.9	52.4	0	0	0	0	110.7	S26 M27 L131 R133 C186	S26-C123 WeakPolarHBondContact CA-O 3.46Å; M27-C123 PolarHBondContact N-O 3.27Å; M27-C123 PolarHBondContact O-N 2.63Å; C123-L131 HydrophobicContact CB-CD1 3.56Å; C123-R133 WeakPolarHBondContact CA-O 3.01Å; C123-C186 HydrophobicContact CB-CB 3.9Å; C123-C186 WeakPolarHBondContact CB-SG 3.35Å; C123-C186 PolarHBondContact N-SG 2.92Å; C123-C186 VanDerWaalsContact N-SG 3.36Å; C123-C186 WeakPolarHBondContact SG-CB 3.35Å; C123-C186 PolarHBondContact SG-O 2.87Å; C123-C186 CovalentContact SG-SG 2.04Å; C123-C186 PolarHBondContact SG-SG 2.86Å
124	D	98.3	Very high	97	Very high	29 Å²	29	46.8 Å²	46.8	16%	0.155	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.8	172.8	-60.7	-2	0	0	0	108.8	H25 S26 R28 L132 R133 Y135	H25-D124 CarbonylContact O-C 3.6Å; H25-D124 WeakPolarHBondContact O-CA 3.29Å; S26-D124 VanDerWaalsContact CB-OD1 3.23Å; S26-D124 WeakPolarHBondContact CB-OD1 3.25Å; R28-D124 IonicContact CZ-OD1 2.7Å; R28-D124 VanDerWaalsContact CZ-OD1 3.23Å; R28-D124 IonicContact CZ-OD2 3.62Å; R28-D124 IonicContact NE-OD1 3.55Å; R28-D124 PolarHBondContact NE-OD1 2.78Å; R28-D124 IonicContact NH2-OD1 3.39Å; R28-D124 PolarHBondContact NH2-OD1 3.32Å; R28-D124 IonicContact NH2-OD2 2.75Å; R28-D124 PolarHBondContact NH2-OD2 3.33Å; D124-L132 PolarHBondContact O-N 3.2Å; D124-R133 PolarHBondContact N-O 2.96Å; D124-R133 PolarHBondContact O-N 3.06Å; D124-Y135 WeakPolarHBondContact OD2-CE2 3.37Å; D124-Y135 PolarHBondContact OD2-OH 3.15Å
125	V	97.6	Very high	97	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.7	-179	-60.1	0	0	0	0	111.8	S24 H25 R130 V187 L190	S24-V125 WeakPolarHBondContact CA-O 3.46Å; H25-V125 HydrophobicContact CB-CG2 4.09Å; H25-V125 PolarHBondContact N-O 3.07Å; H25-V125 PolarHBondContact O-N 3.05Å; V125-R130 CarbonylContact C-O 3.57Å; V125-R130 WeakPolarHBondContact CA-O 3.28Å; V125-R130 WeakPolarHBondContact CB-O 3.43Å; V125-V187 HydrophobicContact CG1-CB 4.41Å; V125-V187 HydrophobicContact CG1-CG1 4.03Å; V125-V187 HydrophobicContact CG1-CG2 3.96Å; V125-L190 HydrophobicContact CB-CD2 4.39Å; V125-L190 HydrophobicContact CG1-CD2 3.95Å; V125-L190 HydrophobicContact CG2-CD2 3.65Å; V125-L190 HydrophobicContact CG2-CG 4.19Å
126	G	94.9	Very high	97	Very high	5 Å²	5	44.7 Å²	44.7	5%	0.052	22%	0.222	C	C	.	.			trans	-83.3	180	175.3	0	0	0	0	0	113	D128 G129 R130	G126-D128 PolarHBondContact O-N 3.37Å; G126-D128 VanDerWaalsContact O-N 3.11Å; G126-G129 VanDerWaalsContact O-CA 3.32Å; G126-G129 WeakPolarHBondContact O-CA 3.45Å; G126-G129 PolarHBondContact O-N 3.11Å; G126-R130 PolarHBondContact N-O 3.34Å
127	P	91.9	Very high	97	Very high	107 Å²	107	46.7 Å²	46.7	70%	0.695	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.7	177.4	-24.1	33	0	0	0	115.2	A22 G23 G129	A22-P127 WeakPolarHBondContact O-CG 3.4Å; G23-P127 WeakPolarHBondContact O-CA 3.31Å; G23-P127 WeakPolarHBondContact O-CG 3.49Å; P127-G129 VanDerWaalsContact C-N 3.27Å
128	D	91.6	Very high	97	Very high	89 Å²	89	47 Å²	47	48%	0.476	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	6.2	171.1	74.7	-11.3	0	0	0	113.2	G126 R130	G126-D128 PolarHBondContact O-N 3.37Å; G126-D128 VanDerWaalsContact O-N 3.11Å; D128-R130 PolarHBondContact O-N 2.8Å; D128-R130 VanDerWaalsContact OD1-CB 3.31Å; D128-R130 WeakPolarHBondContact OD1-CB 3.37Å; D128-R130 WeakPolarHBondContact OD1-CG 3.47Å; D128-R130 PolarHBondContact OD1-N 2.99Å; D128-R130 WeakPolarHBondContact OD2-CD 3.47Å; D128-R130 WeakPolarHBondContact OD2-CG 3.46Å; D128-R130 IonicContact OD2-CZ 3.34Å; D128-R130 VanDerWaalsContact OD2-CZ 3.26Å; D128-R130 IonicContact OD2-NE 2.8Å; D128-R130 PolarHBondContact OD2-NE 3.22Å; D128-R130 IonicContact OD2-NH1 3.78Å; D128-R130 PolarHBondContact OD2-NH1 3.49Å
129	G	92	Very high	97	Very high	14 Å²	14	44.1 Å²	44.1	14%	0.144	22%	0.221	C	C	.	.	S	Bend	trans	69.7	6	-178.1	0	0	0	0	0	115	G126 P127 V187 R191	G126-G129 VanDerWaalsContact O-CA 3.32Å; G126-G129 WeakPolarHBondContact O-CA 3.45Å; G126-G129 PolarHBondContact O-N 3.11Å; P127-G129 VanDerWaalsContact C-N 3.27Å; G129-V187 WeakPolarHBondContact O-CG1 3.42Å; G129-R191 VanDerWaalsContact O-CZ 3.23Å; G129-R191 PolarHBondContact O-NE 3.04Å; G129-R191 PolarHBondContact O-NH2 3.35Å
130	R	95.6	Very high	97	Very high	170 Å²	170	44 Å²	44	64%	0.642	22%	0.219	S	C	*	.			trans	-81.1	150.2	178.7	-63.3	-175.8	-176.3	128.1	-4.9	111.6	V125 G126 D128 L132	V125-R130 CarbonylContact C-O 3.57Å; V125-R130 WeakPolarHBondContact CA-O 3.28Å; V125-R130 WeakPolarHBondContact CB-O 3.43Å; G126-R130 PolarHBondContact N-O 3.34Å; D128-R130 PolarHBondContact O-N 2.8Å; D128-R130 VanDerWaalsContact OD1-CB 3.31Å; D128-R130 WeakPolarHBondContact OD1-CB 3.37Å; D128-R130 WeakPolarHBondContact OD1-CG 3.47Å; D128-R130 PolarHBondContact OD1-N 2.99Å; D128-R130 WeakPolarHBondContact OD2-CD 3.47Å; D128-R130 WeakPolarHBondContact OD2-CG 3.46Å; D128-R130 IonicContact OD2-CZ 3.34Å; D128-R130 VanDerWaalsContact OD2-CZ 3.26Å; D128-R130 IonicContact OD2-NE 2.8Å; D128-R130 PolarHBondContact OD2-NE 3.22Å; D128-R130 IonicContact OD2-NH1 3.78Å; D128-R130 PolarHBondContact OD2-NH1 3.49Å; R130-L132 PolarHBondContact O-N 2.76Å
131	L	97.5	Very high	97	Very high	50 Å²	50	45.9 Å²	45.9	26%	0.262	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	124.3	173.2	-172.1	73.9	0	0	0	110.6	C123 R133 L152 E183 V187	C123-L131 HydrophobicContact CB-CD1 3.56Å; L131-R133 VanDerWaalsContact CD1-O 3.29Å; L131-R133 WeakPolarHBondContact CD1-O 3.49Å; L131-L152 HydrophobicContact CD2-CD1 4.12Å; L131-E183 HydrophobicContact CD2-CG 3.81Å; L131-V187 HydrophobicContact CB-CG2 4.02Å; L131-V187 HydrophobicContact CD1-CG2 3.89Å
132	L	97.3	Very high	96.9	Very high	117 Å²	117	47 Å²	47	61%	0.613	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	-43.1	165.3	-62.2	176.8	0	0	0	110.5	D124 R130	D124-L132 PolarHBondContact O-N 3.2Å; R130-L132 PolarHBondContact O-N 2.76Å
133	R	97.3	Very high	96.9	Very high	94 Å²	94	54.6 Å²	54.6	36%	0.355	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141.1	-175.7	-172.2	164.1	172.9	135.4	7.7	111.8	C123 D124 L131 Y135 E150	C123-R133 WeakPolarHBondContact CA-O 3.01Å; D124-R133 PolarHBondContact N-O 2.96Å; D124-R133 PolarHBondContact O-N 3.06Å; L131-R133 VanDerWaalsContact CD1-O 3.29Å; L131-R133 WeakPolarHBondContact CD1-O 3.49Å; R133-Y135 HydrophobicContact CB-CE2 4.03Å; R133-Y135 VanDerWaalsContact CD-CZ 3.5Å; R133-Y135 VanDerWaalsContact CD-OH 3.28Å; R133-Y135 WeakPolarHBondContact CD-OH 3.39Å; R133-Y135 HydrophobicContact CG-CD2 4.27Å; R133-Y135 HydrophobicContact CG-CE1 4.39Å; R133-Y135 HydrophobicContact CG-CE2 3.66Å; R133-Y135 PolarHBondContact NE-OH 3Å; R133-E150 VanDerWaalsContact CZ-CD 3.41Å; R133-E150 IonicContact CZ-OE1 3.87Å; R133-E150 IonicContact NH1-OE1 2.67Å; R133-E150 PolarHBondContact NH1-OE1 3.41Å; R133-E150 IonicContact NH1-OE2 3.69Å; R133-E150 PolarHBondContact NH1-OE2 2.87Å; R133-E150 VanDerWaalsContact NH2-CD 3.34Å; R133-E150 IonicContact NH2-OE1 3.91Å; R133-E150 PolarHBondContact NH2-OE1 3.22Å
134	G	98.1	Very high	96.9	Very high	6 Å²	6	60.4 Å²	60.4	6%	0.062	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	154.8	168	0	0	0	0	0	111.2	G122	G122-G134 CarbonylContact O-C 3.6Å
135	Y	97.9	Very high	96.9	Very high	44 Å²	44	60.1 Å²	60.1	17%	0.173	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.2	-177.7	-61.9	-98.4	0	0	0	111	R28 M120 Y121 G122 D124 R133	R28-Y135 VanDerWaalsContact NH2-CE2 3.31Å; R28-Y135 PolarHBondContact NH2-OH 3.47Å; M120-Y135 HydrophobicContact CE-CD1 3.83Å; M120-Y135 HydrophobicContact CE-CG 4.04Å; Y121-Y135 VanDerWaalsContact CA-O 3.26Å; Y121-Y135 WeakPolarHBondContact CA-O 3.37Å; Y121-Y135 WeakPolarHBondContact CB-O 3.3Å; G122-Y135 PolarHBondContact N-O 2.83Å; G122-Y135 VanDerWaalsContact N-O 3.13Å; G122-Y135 PolarHBondContact O-N 3.28Å; D124-Y135 WeakPolarHBondContact OD2-CE2 3.37Å; D124-Y135 PolarHBondContact OD2-OH 3.15Å; R133-Y135 HydrophobicContact CB-CE2 4.03Å; R133-Y135 VanDerWaalsContact CD-CZ 3.5Å; R133-Y135 VanDerWaalsContact CD-OH 3.28Å; R133-Y135 WeakPolarHBondContact CD-OH 3.39Å; R133-Y135 HydrophobicContact CG-CD2 4.27Å; R133-Y135 HydrophobicContact CG-CE1 4.39Å; R133-Y135 HydrophobicContact CG-CE2 3.66Å; R133-Y135 PolarHBondContact NE-OH 3Å
136	Q	98.3	Very high	97	Very high	12 Å²	12	60.2 Å²	60.2	6%	0.056	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	122.1	157.2	168.9	66.7	-53.7	0	0	106.9	M119 M120 L148 W155 L178	M119-Q136 PolarHBondContact SD-NE2 3.4Å; M119-Q136 PolarHBondContact SD-OE1 2.79Å; M120-Q136 CarbonylContact O-C 3.53Å; M120-Q136 WeakPolarHBondContact O-CA 3.48Å; M120-Q136 PolarHBondContact O-OE1 3.46Å; Q136-L148 HydrophobicContact CB-CB 3.9Å; Q136-L148 HydrophobicContact CB-CD2 4.16Å; Q136-L148 WeakPolarHBondContact O-CB 3.49Å; Q136-L148 PolarHBondContact O-N 3.18Å; Q136-W155 HydrophobicContact CG-CH2 4.31Å; Q136-W155 HydrophobicContact CG-CZ3 4.29Å; Q136-L178 HydrophobicContact CB-CD1 4.22Å; Q136-L178 HydrophobicContact CG-CD1 3.86Å
137	Q	98.3	Very high	97.2	Very high	76 Å²	76	61.6 Å²	61.6	36%	0.355	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	133.4	178.1	57.9	-176.8	91.4	0	0	111.7	M119 M120 A147	M119-Q137 CarbonylContact C-O 3.53Å; M119-Q137 WeakPolarHBondContact CA-O 3.33Å; M120-Q137 HydrophobicContact CB-CG 4.03Å; M120-Q137 HydrophobicContact CE-CG 3.85Å; M120-Q137 PolarHBondContact N-O 2.88Å; M120-Q137 PolarHBondContact O-N 2.68Å; Q137-A147 HydrophobicContact CB-CB 4Å
138	D	98.5	Very high	97.5	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.112	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.2	-178.6	-61.1	27.3	0	0	0	109.1	Q118 M119 Y145 I146 W169	Q118-D138 CarbonylContact O-C 3.52Å; Q118-D138 WeakPolarHBondContact O-CA 3.43Å; M119-D138 WeakPolarHBondContact CE-OD1 3.46Å; D138-Y145 HydrophobicContact CB-CD1 4.47Å; D138-Y145 WeakPolarHBondContact O-CA 3.17Å; D138-Y145 WeakPolarHBondContact O-CB 3.45Å; D138-Y145 PolarHBondContact O-N 2.86Å; D138-I146 HydrophobicContact CB-CG2 4.08Å; D138-I146 PolarHBondContact N-O 3.09Å; D138-I146 PolarHBondContact O-N 3.36Å; D138-W169 WeakPolarHBondContact OD2-CH2 3.35Å
139	A	98.8	Very high	97.8	Very high	19 Å²	19	55 Å²	55	16%	0.157	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.2	175.6	0	0	0	0	0	111	I117 Q118 K143	I117-A139 WeakPolarHBondContact CA-O 3.34Å; Q118-A139 HydrophobicContact CB-CB 4.38Å; Q118-A139 PolarHBondContact N-O 2.77Å; Q118-A139 PolarHBondContact O-N 3.45Å; A139-K143 CarbonylContact C-O 3.55Å; A139-K143 WeakPolarHBondContact CA-O 3.33Å; A139-K143 WeakPolarHBondContact CB-O 3.45Å
140	Y	98.7	Very high	98.1	Very high	13 Å²	13	60.9 Å²	60.9	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.1	178.8	-172.4	-123.1	0	0	0	111.3	L100 A103 Y107 Q109 H115 T116 I117 G142 K143	L100-Y140 HydrophobicContact CD2-CE2 4.2Å; A103-Y140 HydrophobicContact CB-CD1 4.3Å; A103-Y140 HydrophobicContact CB-CD2 4.2Å; A103-Y140 HydrophobicContact CB-CE1 3.83Å; A103-Y140 HydrophobicContact CB-CE2 3.76Å; A103-Y140 HydrophobicContact CB-CG 4.46Å; Y107-Y140 AromaticContact CD2-CD1 3.71Å; Y107-Y140 HydrophobicContact CD2-CD1 3.71Å; Y107-Y140 AromaticContact CD2-CE1 3.47Å; Y107-Y140 HydrophobicContact CD2-CE1 3.47Å; Y107-Y140 VanDerWaalsContact CD2-CE1 3.47Å; Y107-Y140 AromaticContact CE2-CD1 3.43Å; Y107-Y140 HydrophobicContact CE2-CD1 3.43Å; Y107-Y140 VanDerWaalsContact CE2-CD1 3.43Å; Y107-Y140 AromaticContact CE2-CE1 3.73Å; Y107-Y140 HydrophobicContact CE2-CE1 3.73Å; Y107-Y140 HydrophobicContact CE2-CG 4.46Å; Y107-Y140 HydrophobicContact CG-CE1 4.38Å; Q109-Y140 PolarHBondContact OE1-OH 2.83Å; H115-Y140 HydrophobicContact CB-CE2 4Å; H115-Y140 WeakPolarHBondContact CB-OH 3.43Å; H115-Y140 PolarHBondContact ND1-OH 2.72Å; T116-Y140 WeakPolarHBondContact O-CA 3.24Å; T116-Y140 VanDerWaalsContact O-CD2 3.24Å; T116-Y140 WeakPolarHBondContact O-CD2 3.43Å; I117-Y140 HydrophobicContact CG1-CD2 3.71Å; I117-Y140 HydrophobicContact CG1-CE2 4.18Å; Y140-G142 PolarHBondContact O-N 2.86Å; Y140-G142 VanDerWaalsContact O-N 3.11Å; Y140-K143 PolarHBondContact N-O 2.92Å; Y140-K143 PolarHBondContact O-N 2.99Å
141	D	98.3	Very high	98.2	Very high	61 Å²	61	56.3 Å²	56.3	33%	0.326	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	38.8	-175.6	-66.2	-20.8	0	0	0	113.5	Q109 H115 T116	Q109-D141 PolarHBondContact NE2-OD2 2.95Å; H115-D141 VanDerWaalsContact CA-OD1 3.23Å; H115-D141 WeakPolarHBondContact CA-OD1 3.44Å; H115-D141 WeakPolarHBondContact CB-OD1 3.37Å; H115-D141 IonicContact CE1-OD2 2.73Å; H115-D141 IonicContact CG-OD1 3.51Å; H115-D141 IonicContact CG-OD2 3.84Å; H115-D141 IonicContact ND1-OD1 3.59Å; H115-D141 PolarHBondContact ND1-OD1 2.89Å; H115-D141 IonicContact ND1-OD2 3.71Å; H115-D141 PolarHBondContact ND1-OD2 3.3Å; T116-D141 PolarHBondContact N-OD1 3.16Å; T116-D141 PolarHBondContact O-N 3.44Å
142	G	97.5	Very high	98.2	Very high	59 Å²	59	54.3 Å²	54.3	61%	0.608	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	16.9	178.8	0	0	0	0	0	115.5	Y140	Y140-G142 PolarHBondContact O-N 2.86Å; Y140-G142 VanDerWaalsContact O-N 3.11Å
143	K	98.4	Very high	98.2	Very high	159 Å²	159	56.4 Å²	56.4	69%	0.691	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.6	176.2	-59.1	175.9	-173.9	172.5	0	110.7	A139 Y140 Y145	A139-K143 CarbonylContact C-O 3.55Å; A139-K143 WeakPolarHBondContact CA-O 3.33Å; A139-K143 WeakPolarHBondContact CB-O 3.45Å; Y140-K143 PolarHBondContact N-O 2.92Å; Y140-K143 PolarHBondContact O-N 2.99Å; K143-Y145 PolarHBondContact O-N 3.23Å
144	D	98.6	Very high	98.3	Very high	122 Å²	122	54 Å²	54	65%	0.652	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.4	136.2	173.5	-56.9	-51.7	0	0	0	111	A158	D144-A158 HydrophobicContact CB-CB 4.49Å; D144-A158 WeakPolarHBondContact O-CB 3.46Å
145	Y	98.7	Very high	98.3	Very high	23 Å²	23	54.2 Å²	54.2	9%	0.09	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-62.4	179.1	-179.9	-107.2	0	0	0	110.3	Y106 Y107 D138 K143 A158 A161 A162 T165	Y106-Y145 WeakPolarHBondContact CE2-OH 3.49Å; Y107-Y145 HydrophobicContact CE2-CD2 4.38Å; Y107-Y145 HydrophobicContact CE2-CE2 4.03Å; Y107-Y145 VanDerWaalsContact OH-CD2 3.3Å; Y107-Y145 WeakPolarHBondContact OH-CD2 3.37Å; Y107-Y145 WeakPolarHBondContact OH-CE2 3.44Å; D138-Y145 HydrophobicContact CB-CD1 4.47Å; D138-Y145 WeakPolarHBondContact O-CA 3.17Å; D138-Y145 WeakPolarHBondContact O-CB 3.45Å; D138-Y145 PolarHBondContact O-N 2.86Å; K143-Y145 PolarHBondContact O-N 3.23Å; Y145-A158 WeakPolarHBondContact O-CB 3.39Å; Y145-A158 PolarHBondContact O-N 2.93Å; Y145-A161 HydrophobicContact CE2-CB 4.45Å; Y145-A161 PolarHBondContact OH-O 3.34Å; Y145-A162 HydrophobicContact CD2-CB 3.88Å; Y145-A162 HydrophobicContact CE1-CB 4.45Å; Y145-A162 HydrophobicContact CE2-CB 3.79Å; Y145-A162 HydrophobicContact CG-CB 4.26Å; Y145-A162 WeakPolarHBondContact O-CB 3.28Å; Y145-T165 HydrophobicContact CE1-CG2 4.21Å; Y145-T165 PolarHBondContact OH-OG1 3.06Å
146	I	98.7	Very high	98.3	Very high	3 Å²	3	56 Å²	56	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	141.2	175.9	-163.1	173.8	0	0	0	110.8	D138 W155 T156 A157 T165 Q166 W169	D138-I146 HydrophobicContact CB-CG2 4.08Å; D138-I146 PolarHBondContact N-O 3.09Å; D138-I146 PolarHBondContact O-N 3.36Å; I146-W155 HydrophobicContact CD1-CB 4.16Å; I146-W155 HydrophobicContact CD1-CD2 4.27Å; I146-W155 HydrophobicContact CD1-CE3 4.08Å; I146-W155 HydrophobicContact CD1-CG 4.32Å; I146-W155 HydrophobicContact CG1-CB 4.32Å; I146-W155 HydrophobicContact CG1-CE3 3.99Å; I146-T156 WeakPolarHBondContact CA-O 3.16Å; I146-T156 WeakPolarHBondContact CG1-O 3.16Å; I146-A157 HydrophobicContact CG1-CB 4.47Å; I146-T165 HydrophobicContact CD1-CG2 4.18Å; I146-T165 HydrophobicContact CG2-CG2 4.46Å; I146-Q166 HydrophobicContact CD1-CB 3.83Å; I146-W169 HydrophobicContact CD1-CE3 4.04Å; I146-W169 HydrophobicContact CD1-CZ3 4.36Å; I146-W169 HydrophobicContact CG2-CE3 4.31Å; I146-W169 HydrophobicContact CG2-CH2 4.02Å; I146-W169 HydrophobicContact CG2-CZ3 3.6Å
147	A	98.8	Very high	98.4	Very high	34 Å²	34	56.4 Å²	56.4	28%	0.281	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.5	177.3	0	0	0	0	0	111.6	Q137 W155 T156	Q137-A147 HydrophobicContact CB-CB 4Å; A147-W155 WeakPolarHBondContact O-CA 3.23Å; A147-T156 PolarHBondContact N-O 3.14Å; A147-T156 PolarHBondContact O-N 2.92Å
148	L	98.8	Very high	98.4	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.7	169	-175.8	66.8	0	0	0	108.6	Q136 L152 W155 A175 L178 L182	Q136-L148 HydrophobicContact CB-CB 3.9Å; Q136-L148 HydrophobicContact CB-CD2 4.16Å; Q136-L148 WeakPolarHBondContact O-CB 3.49Å; Q136-L148 PolarHBondContact O-N 3.18Å; L148-L152 HydrophobicContact CD2-CD2 3.77Å; L148-L152 HydrophobicContact CG-CD2 4.28Å; L148-W155 HydrophobicContact CB-CE3 4.04Å; L148-W155 HydrophobicContact CB-CH2 4.13Å; L148-W155 HydrophobicContact CB-CZ3 3.65Å; L148-W155 HydrophobicContact CD1-CD2 4.24Å; L148-W155 HydrophobicContact CD1-CE3 4.26Å; L148-W155 HydrophobicContact CD1-CH2 3.99Å; L148-W155 HydrophobicContact CD1-CZ2 3.95Å; L148-W155 HydrophobicContact CD1-CZ3 4.14Å; L148-W155 HydrophobicContact CG-CZ3 4.48Å; L148-A175 HydrophobicContact CD1-CB 3.86Å; L148-L178 HydrophobicContact CD2-CB 4.27Å; L148-L178 HydrophobicContact CD2-CD1 4.47Å; L148-L182 HydrophobicContact CD2-CD1 4Å
149	N	98.6	Very high	98.3	Very high	44 Å²	44	57.5 Å²	57.5	24%	0.235	32%	0.319	C	S	.	.			trans	-74.7	164.7	-178.8	-66.2	-25.6	0	0	0	111.8	D151 L152 S154 T156	N149-D151 PolarHBondContact O-N 3.43Å; N149-L152 WeakPolarHBondContact O-CA 3.33Å; N149-L152 PolarHBondContact O-N 2.83Å; N149-S154 WeakPolarHBondContact CB-O 3.34Å; N149-S154 PolarHBondContact N-O 3.01Å; N149-S154 PolarHBondContact ND2-OG 3.06Å; N149-T156 WeakPolarHBondContact OD1-CB 3.38Å; N149-T156 PolarHBondContact OD1-N 3.46Å; N149-T156 PolarHBondContact OD1-OG1 2.85Å
150	E	97.6	Very high	98.3	Very high	138 Å²	138	62.7 Å²	62.7	65%	0.645	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-16.2	-177.8	-60.1	-178.4	-165.2	0	0	114	R133 L152	R133-E150 VanDerWaalsContact CZ-CD 3.41Å; R133-E150 IonicContact CZ-OE1 3.87Å; R133-E150 IonicContact NH1-OE1 2.67Å; R133-E150 PolarHBondContact NH1-OE1 3.41Å; R133-E150 IonicContact NH1-OE2 3.69Å; R133-E150 PolarHBondContact NH1-OE2 2.87Å; R133-E150 VanDerWaalsContact NH2-CD 3.34Å; R133-E150 IonicContact NH2-OE1 3.91Å; R133-E150 PolarHBondContact NH2-OE1 3.22Å; E150-L152 PolarHBondContact O-N 2.94Å
151	D	97.5	Very high	98.2	Very high	73 Å²	73	62.5 Å²	62.5	39%	0.39	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.5	172.3	69.8	-1.1	0	0	0	113.8	N149 R153 S154	N149-D151 PolarHBondContact O-N 3.43Å; D151-R153 HydrophobicContact CB-CB 4.48Å; D151-R153 WeakPolarHBondContact O-CD 3.44Å; D151-R153 VanDerWaalsContact O-CG 3.28Å; D151-R153 WeakPolarHBondContact O-CG 3.47Å; D151-R153 PolarHBondContact O-N 3.23Å; D151-R153 PolarHBondContact OD1-N 3.19Å; D151-S154 VanDerWaalsContact CG-OG 3.24Å; D151-S154 PolarHBondContact OD1-N 3.06Å; D151-S154 PolarHBondContact OD1-OG 3.07Å; D151-S154 WeakPolarHBondContact OD2-CB 3.49Å; D151-S154 PolarHBondContact OD2-N 3.01Å; D151-S154 PolarHBondContact OD2-OG 2.9Å
152	L	98.1	Very high	98.2	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.047	33%	0.327	C	S	.	.	S	Bend	trans	52.5	30.6	-172.6	-55	-179.1	0	0	0	113.4	L131 L148 N149 E150 R179 L182 E183	L131-L152 HydrophobicContact CD2-CD1 4.12Å; L148-L152 HydrophobicContact CD2-CD2 3.77Å; L148-L152 HydrophobicContact CG-CD2 4.28Å; N149-L152 WeakPolarHBondContact O-CA 3.33Å; N149-L152 PolarHBondContact O-N 2.83Å; E150-L152 PolarHBondContact O-N 2.94Å; L152-R179 HydrophobicContact CB-CB 4Å; L152-R179 HydrophobicContact CB-CG 3.72Å; L152-R179 HydrophobicContact CD1-CG 4.19Å; L152-R179 WeakPolarHBondContact O-CD 3.23Å; L152-L182 HydrophobicContact CD1-CB 4.45Å; L152-L182 HydrophobicContact CD2-CD1 4.05Å; L152-E183 HydrophobicContact CD1-CG 4.16Å
153	R	97.7	Very high	98.3	Very high	161 Å²	161	59.4 Å²	59.4	61%	0.608	31%	0.311	S	S	*	.	S	Bend	trans	-138	-36	-172.4	-69.8	162.1	-175.8	-81.4	2.9	113.5	D151	D151-R153 HydrophobicContact CB-CB 4.48Å; D151-R153 WeakPolarHBondContact O-CD 3.44Å; D151-R153 VanDerWaalsContact O-CG 3.28Å; D151-R153 WeakPolarHBondContact O-CG 3.47Å; D151-R153 PolarHBondContact O-N 3.23Å; D151-R153 PolarHBondContact OD1-N 3.19Å
154	S	98.1	Very high	98.3	Very high	42 Å²	42	54.8 Å²	54.8	29%	0.294	29%	0.293	S	S	.	.			trans	-110.8	164.3	-178.4	62.6	0	0	0	0	111.9	N149 D151	N149-S154 WeakPolarHBondContact CB-O 3.34Å; N149-S154 PolarHBondContact N-O 3.01Å; N149-S154 PolarHBondContact ND2-OG 3.06Å; D151-S154 VanDerWaalsContact CG-OG 3.24Å; D151-S154 PolarHBondContact OD1-N 3.06Å; D151-S154 PolarHBondContact OD1-OG 3.07Å; D151-S154 WeakPolarHBondContact OD2-CB 3.49Å; D151-S154 PolarHBondContact OD2-N 3.01Å; D151-S154 PolarHBondContact OD2-OG 2.9Å
155	W	98.7	Very high	98.3	Very high	11 Å²	11	49.7 Å²	49.7	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.5	-175.7	-62.5	97.3	0	0	0	111.2	Q136 I146 A147 L148 Q166 W169 V174 A175 L178	Q136-W155 HydrophobicContact CG-CH2 4.31Å; Q136-W155 HydrophobicContact CG-CZ3 4.29Å; I146-W155 HydrophobicContact CD1-CB 4.16Å; I146-W155 HydrophobicContact CD1-CD2 4.27Å; I146-W155 HydrophobicContact CD1-CE3 4.08Å; I146-W155 HydrophobicContact CD1-CG 4.32Å; I146-W155 HydrophobicContact CG1-CB 4.32Å; I146-W155 HydrophobicContact CG1-CE3 3.99Å; A147-W155 WeakPolarHBondContact O-CA 3.23Å; L148-W155 HydrophobicContact CB-CE3 4.04Å; L148-W155 HydrophobicContact CB-CH2 4.13Å; L148-W155 HydrophobicContact CB-CZ3 3.65Å; L148-W155 HydrophobicContact CD1-CD2 4.24Å; L148-W155 HydrophobicContact CD1-CE3 4.26Å; L148-W155 HydrophobicContact CD1-CH2 3.99Å; L148-W155 HydrophobicContact CD1-CZ2 3.95Å; L148-W155 HydrophobicContact CD1-CZ3 4.14Å; L148-W155 HydrophobicContact CG-CZ3 4.48Å; W155-Q166 HydrophobicContact CB-CG 4.07Å; W155-Q166 PolarHBondContact O-NE2 2.89Å; W155-W169 HydrophobicContact CD2-CE3 4.12Å; W155-W169 AromaticContact CE2-CE3 3.92Å; W155-W169 AromaticContact CE3-CE3 3.93Å; W155-W169 HydrophobicContact CE3-CE3 3.93Å; W155-W169 HydrophobicContact CE3-CZ3 4.09Å; W155-W169 HydrophobicContact CH2-CD2 4.46Å; W155-W169 AromaticContact CH2-CE3 3.35Å; W155-W169 HydrophobicContact CH2-CE3 3.35Å; W155-W169 AromaticContact CH2-CZ3 3.45Å; W155-W169 HydrophobicContact CH2-CZ3 3.45Å; W155-W169 VanDerWaalsContact CH2-CZ3 3.45Å; W155-W169 HydrophobicContact CZ2-CB 4.47Å; W155-W169 HydrophobicContact CZ2-CD2 4.39Å; W155-W169 AromaticContact CZ2-CE3 3.56Å; W155-W169 HydrophobicContact CZ2-CE3 3.56Å; W155-W169 HydrophobicContact CZ2-CZ3 4.16Å; W155-W169 AromaticContact CZ3-CE3 3.56Å; W155-W169 HydrophobicContact CZ3-CE3 3.56Å; W155-W169 AromaticContact CZ3-CZ3 3.42Å; W155-W169 HydrophobicContact CZ3-CZ3 3.42Å; W155-W169 VanDerWaalsContact CZ3-CZ3 3.42Å; W155-V174 HydrophobicContact CZ2-CB 4.3Å; W155-V174 HydrophobicContact CZ2-CG1 4.14Å; W155-A175 HydrophobicContact CZ2-CB 4.12Å; W155-L178 HydrophobicContact CH2-CD1 3.47Å; W155-L178 VanDerWaalsContact CH2-CD1 3.47Å; W155-L178 HydrophobicContact CZ2-CD1 3.96Å
156	T	98.7	Very high	98.2	Very high	81 Å²	81	50.5 Å²	50.5	50%	0.497	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.5	164.2	-66	0	0	0	0	108.7	I146 A147 N149	I146-T156 WeakPolarHBondContact CA-O 3.16Å; I146-T156 WeakPolarHBondContact CG1-O 3.16Å; A147-T156 PolarHBondContact N-O 3.14Å; A147-T156 PolarHBondContact O-N 2.92Å; N149-T156 WeakPolarHBondContact OD1-CB 3.38Å; N149-T156 PolarHBondContact OD1-N 3.46Å; N149-T156 PolarHBondContact OD1-OG1 2.85Å
157	A	98.6	Very high	98.2	Very high	22 Å²	22	57 Å²	57	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.4	175.1	0	0	0	0	0	110.3	I146 A162 Q163 Q166	I146-A157 HydrophobicContact CG1-CB 4.47Å; A157-A162 HydrophobicContact CB-CB 3.72Å; A157-Q163 HydrophobicContact CB-CG 4.06Å; A157-Q166 HydrophobicContact CB-CB 4.36Å
158	A	98.4	Very high	98.2	Very high	64 Å²	64	60.9 Å²	60.9	53%	0.529	31%	0.306	S	S	.	.	S	Bend	trans	-72.4	-30.4	-174.9	0	0	0	0	0	113.7	D144 Y145	D144-A158 HydrophobicContact CB-CB 4.49Å; D144-A158 WeakPolarHBondContact O-CB 3.46Å; Y145-A158 WeakPolarHBondContact O-CB 3.39Å; Y145-A158 PolarHBondContact O-N 2.93Å
159	D	98.1	Very high	98.2	Very high	55 Å²	55	62.9 Å²	62.9	29%	0.294	31%	0.312	S	S	.	.	S	Bend	trans	-149.6	-174.3	-177.7	71.4	28.8	0	0	0	114.2	Y107 A161 A162 Q163	Y107-D159 WeakPolarHBondContact CE1-OD2 3.21Å; Y107-D159 VanDerWaalsContact OH-CG 3.31Å; Y107-D159 PolarHBondContact OH-OD1 2.8Å; Y107-D159 PolarHBondContact OH-OD2 2.87Å; D159-A161 VanDerWaalsContact C-N 3.31Å; D159-A161 PolarHBondContact O-N 2.77Å; D159-A161 WeakPolarHBondContact OD1-CA 3.48Å; D159-A161 WeakPolarHBondContact OD1-CB 3.42Å; D159-A161 PolarHBondContact OD1-N 2.94Å; D159-A162 PolarHBondContact O-N 2.89Å; D159-A162 PolarHBondContact OD1-N 3.34Å; D159-Q163 WeakPolarHBondContact O-CG 3.2Å; D159-Q163 PolarHBondContact O-N 3.13Å
160	M	97.8	Very high	98.2	Very high	129 Å²	129	65.2 Å²	65.2	64%	0.635	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.7	-179	-64.4	-56.7	-55.1	0	0	114.7	Q163	M160-Q163 PolarHBondContact SD-NE2 3.34Å
161	A	97.6	Very high	98.2	Very high	8 Å²	8	62.7 Å²	62.7	7%	0.066	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-44.5	173.8	0	0	0	0	0	110.4	Y106 Y107 Y145 D159 Q163 I164	Y106-A161 HydrophobicContact CD2-CB 4.18Å; Y106-A161 HydrophobicContact CG-CB 4.41Å; Y107-A161 HydrophobicContact CD1-CB 4.32Å; Y107-A161 HydrophobicContact CE1-CB 3.75Å; Y107-A161 HydrophobicContact CE2-CB 4.02Å; Y145-A161 HydrophobicContact CE2-CB 4.45Å; Y145-A161 PolarHBondContact OH-O 3.34Å; D159-A161 VanDerWaalsContact C-N 3.31Å; D159-A161 PolarHBondContact O-N 2.77Å; D159-A161 WeakPolarHBondContact OD1-CA 3.48Å; D159-A161 WeakPolarHBondContact OD1-CB 3.42Å; D159-A161 PolarHBondContact OD1-N 2.94Å; A161-Q163 PolarHBondContact O-N 2.81Å; A161-I164 WeakPolarHBondContact O-CA 3.34Å; A161-I164 VanDerWaalsContact O-CB 3.25Å; A161-I164 WeakPolarHBondContact O-CB 3.47Å; A161-I164 WeakPolarHBondContact O-CG1 3.29Å; A161-I164 PolarHBondContact O-N 2.62Å
162	A	98.3	Very high	98.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57.4	-36.8	173	0	0	0	0	0	112.6	Y145 A157 D159 I164 T165 Q166	Y145-A162 HydrophobicContact CD2-CB 3.88Å; Y145-A162 HydrophobicContact CE1-CB 4.45Å; Y145-A162 HydrophobicContact CE2-CB 3.79Å; Y145-A162 HydrophobicContact CG-CB 4.26Å; Y145-A162 WeakPolarHBondContact O-CB 3.28Å; A157-A162 HydrophobicContact CB-CB 3.72Å; D159-A162 PolarHBondContact O-N 2.89Å; D159-A162 PolarHBondContact OD1-N 3.34Å; A162-I164 PolarHBondContact O-N 2.88Å; A162-I164 VanDerWaalsContact O-N 3.16Å; A162-T165 WeakPolarHBondContact O-CA 3.45Å; A162-T165 WeakPolarHBondContact O-CB 3.26Å; A162-T165 PolarHBondContact O-N 3.22Å; A162-Q166 PolarHBondContact O-N 2.83Å
163	Q	98.6	Very high	98.2	Very high	56 Å²	56	69 Å²	69	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-58.2	-24.8	171.8	-76.1	177.1	32.1	0	0	113.9	A157 D159 M160 A161 R167	A157-Q163 HydrophobicContact CB-CG 4.06Å; D159-Q163 WeakPolarHBondContact O-CG 3.2Å; D159-Q163 PolarHBondContact O-N 3.13Å; M160-Q163 PolarHBondContact SD-NE2 3.34Å; A161-Q163 PolarHBondContact O-N 2.81Å; Q163-R167 WeakPolarHBondContact O-CD 3.49Å; Q163-R167 VanDerWaalsContact O-CG 3.26Å; Q163-R167 WeakPolarHBondContact O-CG 3.44Å; Q163-R167 PolarHBondContact O-N 3.16Å
164	I	98.2	Very high	98.3	Very high	61 Å²	61	62.7 Å²	62.7	31%	0.313	34%	0.335	S	S	.	.	H	α-helix	trans	-74.3	-37.8	174.7	-48.8	173.8	0	0	0	110.1	Y106 A161 A162 K168	Y106-I164 HydrophobicContact CD1-CD1 4.06Å; Y106-I164 HydrophobicContact CD2-CD1 4.42Å; Y106-I164 HydrophobicContact CE1-CB 4.42Å; Y106-I164 HydrophobicContact CE1-CD1 4.19Å; Y106-I164 HydrophobicContact CE1-CG2 3.96Å; Y106-I164 HydrophobicContact CE2-CB 3.94Å; Y106-I164 HydrophobicContact CE2-CG2 4.18Å; Y106-I164 HydrophobicContact CG-CD1 4.18Å; Y106-I164 WeakPolarHBondContact OH-CG2 3.4Å; A161-I164 WeakPolarHBondContact O-CA 3.34Å; A161-I164 VanDerWaalsContact O-CB 3.25Å; A161-I164 WeakPolarHBondContact O-CB 3.47Å; A161-I164 WeakPolarHBondContact O-CG1 3.29Å; A161-I164 PolarHBondContact O-N 2.62Å; A162-I164 PolarHBondContact O-N 2.88Å; A162-I164 VanDerWaalsContact O-N 3.16Å; I164-K168 WeakPolarHBondContact O-CG 3.49Å; I164-K168 PolarHBondContact O-N 3.39Å
165	T	98.1	Very high	98.3	Very high	16 Å²	16	61.1 Å²	61.1	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-66.5	-47.4	170.5	-70.3	0	0	0	0	111	Y145 I146 A162 R167 K168 W169	Y145-T165 HydrophobicContact CE1-CG2 4.21Å; Y145-T165 PolarHBondContact OH-OG1 3.06Å; I146-T165 HydrophobicContact CD1-CG2 4.18Å; I146-T165 HydrophobicContact CG2-CG2 4.46Å; A162-T165 WeakPolarHBondContact O-CA 3.45Å; A162-T165 WeakPolarHBondContact O-CB 3.26Å; A162-T165 PolarHBondContact O-N 3.22Å; T165-R167 PolarHBondContact O-N 3.45Å; T165-K168 WeakPolarHBondContact O-CB 3.35Å; T165-K168 PolarHBondContact O-N 3.35Å; T165-K168 VanDerWaalsContact O-N 3.07Å; T165-W169 HydrophobicContact CG2-CD2 3.64Å; T165-W169 HydrophobicContact CG2-CE3 4.07Å; T165-W169 HydrophobicContact CG2-CG 4.05Å; T165-W169 HydrophobicContact CG2-CH2 4.32Å; T165-W169 HydrophobicContact CG2-CZ2 3.91Å; T165-W169 HydrophobicContact CG2-CZ3 4.38Å; T165-W169 PolarHBondContact O-N 2.94Å
166	Q	98.6	Very high	98.2	Very high	39 Å²	39	65.9 Å²	65.9	18%	0.182	35%	0.347	C	S	.	.	H	α-helix	trans	-49.9	-55.9	177.7	175.4	171.9	9.2	0	0	112	I146 W155 A157 A162 K168 W169 E170	I146-Q166 HydrophobicContact CD1-CB 3.83Å; W155-Q166 HydrophobicContact CB-CG 4.07Å; W155-Q166 PolarHBondContact O-NE2 2.89Å; A157-Q166 HydrophobicContact CB-CB 4.36Å; A162-Q166 PolarHBondContact O-N 2.83Å; Q166-K168 PolarHBondContact O-N 2.89Å; Q166-W169 PolarHBondContact O-N 3.02Å; Q166-E170 VanDerWaalsContact CG-CD 3.46Å; Q166-E170 HydrophobicContact CG-CG 4.22Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.48Å; Q166-E170 PolarHBondContact NE2-OE1 2.66Å; Q166-E170 WeakPolarHBondContact O-CB 3.36Å; Q166-E170 WeakPolarHBondContact O-CG 3.25Å; Q166-E170 PolarHBondContact O-N 3.34Å
167	R	98.6	Very high	98.1	Very high	141 Å²	141	68.7 Å²	68.7	53%	0.532	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-32.7	-178.5	-66.6	166.6	-161.2	155.7	9.4	112.9	Q163 T165 A171	Q163-R167 WeakPolarHBondContact O-CD 3.49Å; Q163-R167 VanDerWaalsContact O-CG 3.26Å; Q163-R167 WeakPolarHBondContact O-CG 3.44Å; Q163-R167 PolarHBondContact O-N 3.16Å; T165-R167 PolarHBondContact O-N 3.45Å; R167-A171 VanDerWaalsContact O-CB 3.27Å; R167-A171 WeakPolarHBondContact O-CB 3.42Å; R167-A171 PolarHBondContact O-N 3.43Å; R167-A171 VanDerWaalsContact O-N 3.15Å
168	K	98.1	Very high	98.1	Very high	114 Å²	114	69.1 Å²	69.1	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-70.7	-43.6	174.1	-72.1	173.6	174.7	-178	0	111.5	Y106 I164 T165 Q166 A171 A172	Y106-K168 PolarHBondContact OH-NZ 2.89Å; I164-K168 WeakPolarHBondContact O-CG 3.49Å; I164-K168 PolarHBondContact O-N 3.39Å; T165-K168 WeakPolarHBondContact O-CB 3.35Å; T165-K168 PolarHBondContact O-N 3.35Å; T165-K168 VanDerWaalsContact O-N 3.07Å; Q166-K168 PolarHBondContact O-N 2.89Å; K168-A171 PolarHBondContact O-N 3.05Å; K168-A172 VanDerWaalsContact O-CB 3.25Å; K168-A172 WeakPolarHBondContact O-CB 3.4Å; K168-A172 PolarHBondContact O-N 2.86Å
169	W	98.2	Very high	98.1	Very high	57 Å²	57	69.5 Å²	69.5	22%	0.216	34%	0.341	C	S	.	.	H	α-helix	trans	-71.2	-34	-179.2	-76.2	6.9	0	0	0	113	D138 I146 W155 T165 Q166 A172 R173 V174	D138-W169 WeakPolarHBondContact OD2-CH2 3.35Å; I146-W169 HydrophobicContact CD1-CE3 4.04Å; I146-W169 HydrophobicContact CD1-CZ3 4.36Å; I146-W169 HydrophobicContact CG2-CE3 4.31Å; I146-W169 HydrophobicContact CG2-CH2 4.02Å; I146-W169 HydrophobicContact CG2-CZ3 3.6Å; W155-W169 HydrophobicContact CD2-CE3 4.12Å; W155-W169 AromaticContact CE2-CE3 3.92Å; W155-W169 AromaticContact CE3-CE3 3.93Å; W155-W169 HydrophobicContact CE3-CE3 3.93Å; W155-W169 HydrophobicContact CE3-CZ3 4.09Å; W155-W169 HydrophobicContact CH2-CD2 4.46Å; W155-W169 AromaticContact CH2-CE3 3.35Å; W155-W169 HydrophobicContact CH2-CE3 3.35Å; W155-W169 AromaticContact CH2-CZ3 3.45Å; W155-W169 HydrophobicContact CH2-CZ3 3.45Å; W155-W169 VanDerWaalsContact CH2-CZ3 3.45Å; W155-W169 HydrophobicContact CZ2-CB 4.47Å; W155-W169 HydrophobicContact CZ2-CD2 4.39Å; W155-W169 AromaticContact CZ2-CE3 3.56Å; W155-W169 HydrophobicContact CZ2-CE3 3.56Å; W155-W169 HydrophobicContact CZ2-CZ3 4.16Å; W155-W169 AromaticContact CZ3-CE3 3.56Å; W155-W169 HydrophobicContact CZ3-CE3 3.56Å; W155-W169 AromaticContact CZ3-CZ3 3.42Å; W155-W169 HydrophobicContact CZ3-CZ3 3.42Å; W155-W169 VanDerWaalsContact CZ3-CZ3 3.42Å; T165-W169 HydrophobicContact CG2-CD2 3.64Å; T165-W169 HydrophobicContact CG2-CE3 4.07Å; T165-W169 HydrophobicContact CG2-CG 4.05Å; T165-W169 HydrophobicContact CG2-CH2 4.32Å; T165-W169 HydrophobicContact CG2-CZ2 3.91Å; T165-W169 HydrophobicContact CG2-CZ3 4.38Å; T165-W169 PolarHBondContact O-N 2.94Å; Q166-W169 PolarHBondContact O-N 3.02Å; W169-A172 CarbonylContact O-C 3.41Å; W169-R173 PolarHBondContact O-N 2.82Å; W169-V174 HydrophobicContact CB-CB 4.01Å; W169-V174 HydrophobicContact CB-CG2 3.97Å; W169-V174 HydrophobicContact CD2-CG1 4.34Å; W169-V174 HydrophobicContact CG-CB 4.14Å; W169-V174 HydrophobicContact CG-CG1 4.4Å; W169-V174 HydrophobicContact CG-CG2 3.91Å; W169-V174 PolarHBondContact O-N 3.24Å
170	E	98.5	Very high	98.1	Very high	92 Å²	92	70 Å²	70	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-50	170.2	-71	168.3	166.6	0	0	111.1	Q166 A172 R173	Q166-E170 VanDerWaalsContact CG-CD 3.46Å; Q166-E170 HydrophobicContact CG-CG 4.22Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.48Å; Q166-E170 PolarHBondContact NE2-OE1 2.66Å; Q166-E170 WeakPolarHBondContact O-CB 3.36Å; Q166-E170 WeakPolarHBondContact O-CG 3.25Å; Q166-E170 PolarHBondContact O-N 3.34Å; E170-A172 VanDerWaalsContact C-N 3.27Å; E170-A172 PolarHBondContact O-N 3.19Å; E170-R173 PolarHBondContact O-N 2.89Å
171	A	98.4	Very high	98.1	Very high	86 Å²	86	66.9 Å²	66.9	71%	0.711	34%	0.335	S	S	*	.	H	α-helix	trans	-61.4	-33.9	177.1	0	0	0	0	0	113.1	R167 K168	R167-A171 VanDerWaalsContact O-CB 3.27Å; R167-A171 WeakPolarHBondContact O-CB 3.42Å; R167-A171 PolarHBondContact O-N 3.43Å; R167-A171 VanDerWaalsContact O-N 3.15Å; K168-A171 PolarHBondContact O-N 3.05Å
172	A	98.1	Very high	98.2	Very high	60 Å²	60	66.6 Å²	66.6	50%	0.496	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.1	175.8	0	0	0	0	0	114.3	K168 W169 E170 V174	K168-A172 VanDerWaalsContact O-CB 3.25Å; K168-A172 WeakPolarHBondContact O-CB 3.4Å; K168-A172 PolarHBondContact O-N 2.86Å; W169-A172 CarbonylContact O-C 3.41Å; E170-A172 VanDerWaalsContact C-N 3.27Å; E170-A172 PolarHBondContact O-N 3.19Å; A172-V174 VanDerWaalsContact C-N 3.27Å; A172-V174 HydrophobicContact CB-CG2 4.08Å; A172-V174 PolarHBondContact O-N 3.04Å
173	R	97.9	Very high	98.2	Very high	153 Å²	153	70.7 Å²	70.7	58%	0.577	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	35.1	-179.7	-63.3	171.6	172.2	-120.1	6.9	114.7	W169 E170 A175 E176	W169-R173 PolarHBondContact O-N 2.82Å; E170-R173 PolarHBondContact O-N 2.89Å; R173-A175 PolarHBondContact O-N 2.87Å; R173-A175 VanDerWaalsContact O-N 3.16Å; R173-E176 HydrophobicContact CB-CB 4.42Å; R173-E176 HydrophobicContact CB-CG 4.17Å; R173-E176 IonicContact CZ-OE1 2.87Å; R173-E176 IonicContact NE-OE1 2.65Å; R173-E176 IonicContact NH1-OE1 3.26Å; R173-E176 PolarHBondContact NH1-OE1 3.37Å; R173-E176 IonicContact NH1-OE2 3.03Å; R173-E176 PolarHBondContact NH1-OE2 2.83Å; R173-E176 WeakPolarHBondContact O-CB 3.47Å; R173-E176 PolarHBondContact O-N 2.8Å
174	V	98.2	Very high	98.2	Very high	30 Å²	30	69.1 Å²	69.1	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-57.2	-34.8	-176.4	176.7	0	0	0	0	112.1	W155 W169 A172 E176 Q177 L178	W155-V174 HydrophobicContact CZ2-CB 4.3Å; W155-V174 HydrophobicContact CZ2-CG1 4.14Å; W169-V174 HydrophobicContact CB-CB 4.01Å; W169-V174 HydrophobicContact CB-CG2 3.97Å; W169-V174 HydrophobicContact CD2-CG1 4.34Å; W169-V174 HydrophobicContact CG-CB 4.14Å; W169-V174 HydrophobicContact CG-CG1 4.4Å; W169-V174 HydrophobicContact CG-CG2 3.91Å; W169-V174 PolarHBondContact O-N 3.24Å; A172-V174 VanDerWaalsContact C-N 3.27Å; A172-V174 HydrophobicContact CB-CG2 4.08Å; A172-V174 PolarHBondContact O-N 3.04Å; V174-E176 VanDerWaalsContact C-N 3.31Å; V174-E176 PolarHBondContact O-N 3.29Å; V174-Q177 PolarHBondContact O-N 3.21Å; V174-L178 HydrophobicContact CG1-CD1 3.82Å; V174-L178 HydrophobicContact CG1-CG 4.26Å; V174-L178 WeakPolarHBondContact O-CG 3.46Å; V174-L178 PolarHBondContact O-N 2.9Å
175	A	98.4	Very high	98.1	Very high	8 Å²	8	68.8 Å²	68.8	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-34.2	175.5	0	0	0	0	0	113.3	L148 W155 R173 Q177 R179	L148-A175 HydrophobicContact CD1-CB 3.86Å; W155-A175 HydrophobicContact CZ2-CB 4.12Å; R173-A175 PolarHBondContact O-N 2.87Å; R173-A175 VanDerWaalsContact O-N 3.16Å; A175-Q177 VanDerWaalsContact C-N 3.32Å; A175-Q177 PolarHBondContact O-N 3.43Å; A175-R179 WeakPolarHBondContact O-CB 3.38Å; A175-R179 PolarHBondContact O-N 2.89Å
176	E	97.9	Very high	98.2	Very high	112 Å²	112	68 Å²	68	52%	0.523	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-37.6	177	-63.9	178.8	-167.3	0	0	111.4	R173 V174 A180	R173-E176 HydrophobicContact CB-CB 4.42Å; R173-E176 HydrophobicContact CB-CG 4.17Å; R173-E176 IonicContact CZ-OE1 2.87Å; R173-E176 IonicContact NE-OE1 2.65Å; R173-E176 IonicContact NH1-OE1 3.26Å; R173-E176 PolarHBondContact NH1-OE1 3.37Å; R173-E176 IonicContact NH1-OE2 3.03Å; R173-E176 PolarHBondContact NH1-OE2 2.83Å; R173-E176 WeakPolarHBondContact O-CB 3.47Å; R173-E176 PolarHBondContact O-N 2.8Å; V174-E176 VanDerWaalsContact C-N 3.31Å; V174-E176 PolarHBondContact O-N 3.29Å; E176-A180 PolarHBondContact O-N 2.89Å; E176-A180 VanDerWaalsContact O-N 3.17Å
177	Q	96.8	Very high	98.2	Very high	139 Å²	139	66.5 Å²	66.5	65%	0.65	34%	0.339	S	S	*	.	H	α-helix	trans	-71.9	-46.7	178.4	-59	-179.8	5.4	0	0	111.6	V174 A175 A180 Y181	V174-Q177 PolarHBondContact O-N 3.21Å; A175-Q177 VanDerWaalsContact C-N 3.32Å; A175-Q177 PolarHBondContact O-N 3.43Å; Q177-A180 PolarHBondContact O-N 3.13Å; Q177-Y181 PolarHBondContact O-N 2.99Å; Q177-Y181 VanDerWaalsContact O-N 3.12Å
178	L	97.9	Very high	98.2	Very high	32 Å²	32	65.7 Å²	65.7	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-43.2	176.7	-70.6	168.6	0	0	0	111.4	Q136 L148 W155 V174 A180 Y181 L182	Q136-L178 HydrophobicContact CB-CD1 4.22Å; Q136-L178 HydrophobicContact CG-CD1 3.86Å; L148-L178 HydrophobicContact CD2-CB 4.27Å; L148-L178 HydrophobicContact CD2-CD1 4.47Å; W155-L178 HydrophobicContact CH2-CD1 3.47Å; W155-L178 VanDerWaalsContact CH2-CD1 3.47Å; W155-L178 HydrophobicContact CZ2-CD1 3.96Å; V174-L178 HydrophobicContact CG1-CD1 3.82Å; V174-L178 HydrophobicContact CG1-CG 4.26Å; V174-L178 WeakPolarHBondContact O-CG 3.46Å; V174-L178 PolarHBondContact O-N 2.9Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 2.95Å; L178-Y181 PolarHBondContact O-N 2.77Å; L178-L182 WeakPolarHBondContact O-CB 3.35Å; L178-L182 VanDerWaalsContact O-CG 3.23Å; L178-L182 WeakPolarHBondContact O-CG 3.26Å; L178-L182 PolarHBondContact O-N 3.46Å
179	R	98.3	Very high	98.2	Very high	71 Å²	71	63.8 Å²	63.8	27%	0.268	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-40.9	175.9	-174.9	170.6	176	-91.9	-14.3	112.1	L152 A175 L182 E183	L152-R179 HydrophobicContact CB-CB 4Å; L152-R179 HydrophobicContact CB-CG 3.72Å; L152-R179 HydrophobicContact CD1-CG 4.19Å; L152-R179 WeakPolarHBondContact O-CD 3.23Å; A175-R179 WeakPolarHBondContact O-CB 3.38Å; A175-R179 PolarHBondContact O-N 2.89Å; R179-L182 PolarHBondContact O-N 2.84Å; R179-E183 HydrophobicContact CG-CG 4.03Å; R179-E183 IonicContact CZ-OE1 3.83Å; R179-E183 IonicContact CZ-OE2 3.88Å; R179-E183 IonicContact NE-OE1 2.69Å; R179-E183 PolarHBondContact NE-OE1 2.76Å; R179-E183 IonicContact NE-OE2 3.23Å; R179-E183 PolarHBondContact NE-OE2 3.07Å; R179-E183 IonicContact NH1-OE2 3.03Å; R179-E183 IonicContact NH2-OE1 3.53Å; R179-E183 PolarHBondContact NH2-OE1 2.88Å; R179-E183 IonicContact NH2-OE2 2.79Å; R179-E183 PolarHBondContact NH2-OE2 2.83Å; R179-E183 WeakPolarHBondContact O-CB 3.44Å; R179-E183 WeakPolarHBondContact O-CG 3.41Å; R179-E183 PolarHBondContact O-N 2.7Å
180	A	98.3	Very high	98.2	Very high	66 Å²	66	61.1 Å²	61.1	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-39.4	175.5	0	0	0	0	0	112.8	E176 Q177 L178 G184	E176-A180 PolarHBondContact O-N 2.89Å; E176-A180 VanDerWaalsContact O-N 3.17Å; Q177-A180 PolarHBondContact O-N 3.13Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 2.95Å; A180-G184 PolarHBondContact O-N 2.81Å
181	Y	98.3	Very high	98.1	Very high	64 Å²	64	62.4 Å²	62.4	25%	0.251	32%	0.322	S	S	.	.	I	π-helix	trans	-66.3	-45.8	172.6	172.9	-96	0	0	0	112.1	Y121 Q177 L178 G184 T185 C186	Y121-Y181 AromaticContact CD2-CE1 3.94Å; Y121-Y181 HydrophobicContact CD2-CE1 3.94Å; Y121-Y181 AromaticContact CE2-CE1 3.89Å; Y121-Y181 HydrophobicContact CE2-CE1 3.89Å; Q177-Y181 PolarHBondContact O-N 2.99Å; Q177-Y181 VanDerWaalsContact O-N 3.12Å; L178-Y181 PolarHBondContact O-N 2.77Å; Y181-G184 CarbonylContact O-C 3.56Å; Y181-T185 HydrophobicContact CD2-CG2 3.88Å; Y181-T185 HydrophobicContact CE2-CG2 3.77Å; Y181-T185 PolarHBondContact O-N 2.79Å; Y181-T185 VanDerWaalsContact O-N 3.13Å; Y181-C186 HydrophobicContact CD1-CB 4.21Å; Y181-C186 HydrophobicContact CE1-CB 3.81Å; Y181-C186 WeakPolarHBondContact O-CB 3.36Å; Y181-C186 PolarHBondContact O-N 2.8Å
182	L	98.6	Very high	98.1	Very high	2 Å²	2	64 Å²	64	1%	0.01	31%	0.31	C	S	.	.	I	π-helix	trans	-71.7	-38.2	-174.9	-69.9	173.2	0	0	0	113.3	G122 L148 L152 L178 R179 C186	G122-L182 WeakPolarHBondContact O-CD2 3.4Å; L148-L182 HydrophobicContact CD2-CD1 4Å; L152-L182 HydrophobicContact CD1-CB 4.45Å; L152-L182 HydrophobicContact CD2-CD1 4.05Å; L178-L182 WeakPolarHBondContact O-CB 3.35Å; L178-L182 VanDerWaalsContact O-CG 3.23Å; L178-L182 WeakPolarHBondContact O-CG 3.26Å; L178-L182 PolarHBondContact O-N 3.46Å; R179-L182 PolarHBondContact O-N 2.84Å; L182-C186 HydrophobicContact CD2-CB 4.48Å
183	E	98.1	Very high	98.1	Very high	86 Å²	86	61.2 Å²	61.2	40%	0.402	29%	0.286	S	S	.	.	I	π-helix	trans	-80	-24.1	177.6	-67.3	-177.2	161.6	0	0	113.3	L131 L152 R179	L131-E183 HydrophobicContact CD2-CG 3.81Å; L152-E183 HydrophobicContact CD1-CG 4.16Å; R179-E183 HydrophobicContact CG-CG 4.03Å; R179-E183 IonicContact CZ-OE1 3.83Å; R179-E183 IonicContact CZ-OE2 3.88Å; R179-E183 IonicContact NE-OE1 2.69Å; R179-E183 PolarHBondContact NE-OE1 2.76Å; R179-E183 IonicContact NE-OE2 3.23Å; R179-E183 PolarHBondContact NE-OE2 3.07Å; R179-E183 IonicContact NH1-OE2 3.03Å; R179-E183 IonicContact NH2-OE1 3.53Å; R179-E183 PolarHBondContact NH2-OE1 2.88Å; R179-E183 IonicContact NH2-OE2 2.79Å; R179-E183 PolarHBondContact NH2-OE2 2.83Å; R179-E183 WeakPolarHBondContact O-CB 3.44Å; R179-E183 WeakPolarHBondContact O-CG 3.41Å; R179-E183 PolarHBondContact O-N 2.7Å
184	G	98.1	Very high	98	Very high	22 Å²	22	54.5 Å²	54.5	23%	0.227	26%	0.262	C	S	.	.	I	π-helix	trans	-111.2	-93.1	179.8	0	0	0	0	0	112.7	A180 Y181 C186 V187 E188	A180-G184 PolarHBondContact O-N 2.81Å; Y181-G184 CarbonylContact O-C 3.56Å; G184-C186 VanDerWaalsContact C-N 3.28Å; G184-C186 PolarHBondContact O-N 2.83Å; G184-C186 VanDerWaalsContact O-N 3.11Å; G184-V187 WeakPolarHBondContact O-CB 3.39Å; G184-V187 PolarHBondContact O-N 2.88Å; G184-E188 WeakPolarHBondContact O-CG 3.5Å; G184-E188 PolarHBondContact O-N 3.44Å
185	T	98.1	Very high	98	Very high	55 Å²	55	58.5 Å²	58.5	34%	0.337	28%	0.279	S	S	.	.	I	π-helix	trans	-51	-39.9	-168.5	-55.4	0	0	0	0	114.4	Y181 E188 W189	Y181-T185 HydrophobicContact CD2-CG2 3.88Å; Y181-T185 HydrophobicContact CE2-CG2 3.77Å; Y181-T185 PolarHBondContact O-N 2.79Å; Y181-T185 VanDerWaalsContact O-N 3.13Å; T185-E188 PolarHBondContact O-N 3.4Å; T185-W189 VanDerWaalsContact O-CD1 3.24Å; T185-W189 PolarHBondContact O-N 3.13Å
186	C	98.6	Very high	97.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-47.3	177.7	-171.7	0	0	0	0	111.6	M27 C123 Y181 L182 G184 L190	M27-C186 HydrophobicContact CE-CB 4.13Å; M27-C186 WeakPolarHBondContact CE-O 3.49Å; M27-C186 WeakPolarHBondContact CE-SG 3.38Å; C123-C186 HydrophobicContact CB-CB 3.9Å; C123-C186 WeakPolarHBondContact CB-SG 3.35Å; C123-C186 PolarHBondContact N-SG 2.92Å; C123-C186 VanDerWaalsContact N-SG 3.36Å; C123-C186 WeakPolarHBondContact SG-CB 3.35Å; C123-C186 PolarHBondContact SG-O 2.87Å; C123-C186 CovalentContact SG-SG 2.04Å; C123-C186 PolarHBondContact SG-SG 2.86Å; Y181-C186 HydrophobicContact CD1-CB 4.21Å; Y181-C186 HydrophobicContact CE1-CB 3.81Å; Y181-C186 WeakPolarHBondContact O-CB 3.36Å; Y181-C186 PolarHBondContact O-N 2.8Å; L182-C186 HydrophobicContact CD2-CB 4.48Å; G184-C186 VanDerWaalsContact C-N 3.28Å; G184-C186 PolarHBondContact O-N 2.83Å; G184-C186 VanDerWaalsContact O-N 3.11Å; C186-L190 WeakPolarHBondContact O-CB 3.3Å; C186-L190 PolarHBondContact O-N 2.78Å
187	V	98.5	Very high	97.8	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-39.1	178.1	173.8	0	0	0	0	111.3	V125 G129 L131 G184 R191	V125-V187 HydrophobicContact CG1-CB 4.41Å; V125-V187 HydrophobicContact CG1-CG1 4.03Å; V125-V187 HydrophobicContact CG1-CG2 3.96Å; G129-V187 WeakPolarHBondContact O-CG1 3.42Å; L131-V187 HydrophobicContact CB-CG2 4.02Å; L131-V187 HydrophobicContact CD1-CG2 3.89Å; G184-V187 WeakPolarHBondContact O-CB 3.39Å; G184-V187 PolarHBondContact O-N 2.88Å; V187-R191 WeakPolarHBondContact O-CB 3.37Å; V187-R191 VanDerWaalsContact O-CG 3.23Å; V187-R191 WeakPolarHBondContact O-CG 3.41Å; V187-R191 PolarHBondContact O-N 3.34Å
188	E	98.3	Very high	97.7	Very high	124 Å²	124	53 Å²	53	58%	0.579	25%	0.253	S	S	*	.	H	α-helix	trans	-64.1	-46.9	177.9	-68.9	174.2	153.7	0	0	112.1	G184 T185 R192	G184-E188 WeakPolarHBondContact O-CG 3.5Å; G184-E188 PolarHBondContact O-N 3.44Å; T185-E188 PolarHBondContact O-N 3.4Å; E188-R192 PolarHBondContact O-N 2.8Å; E188-R192 VanDerWaalsContact O-N 3.13Å
189	W	98.3	Very high	97.4	Very high	74 Å²	74	60.2 Å²	60.2	28%	0.28	29%	0.286	S	S	.	.	H	α-helix	trans	-68.6	-41.8	176.7	-81	108.2	0	0	0	112.6	M27 Y81 T185 R191 R192 Y193	M27-W189 HydrophobicContact CE-CB 4.15Å; M27-W189 HydrophobicContact SD-CB 4.44Å; Y81-W189 AromaticContact CD2-CH2 3.54Å; Y81-W189 HydrophobicContact CD2-CH2 3.54Å; Y81-W189 HydrophobicContact CD2-CZ2 4.1Å; Y81-W189 AromaticContact CD2-CZ3 3.92Å; Y81-W189 HydrophobicContact CD2-CZ3 3.92Å; Y81-W189 HydrophobicContact CE2-CE3 4.39Å; Y81-W189 AromaticContact CE2-CH2 3.94Å; Y81-W189 HydrophobicContact CE2-CH2 3.94Å; Y81-W189 HydrophobicContact CE2-CZ2 4.41Å; Y81-W189 AromaticContact CE2-CZ3 3.91Å; Y81-W189 HydrophobicContact CE2-CZ3 3.91Å; T185-W189 VanDerWaalsContact O-CD1 3.24Å; T185-W189 PolarHBondContact O-N 3.13Å; W189-R191 PolarHBondContact O-N 3.38Å; W189-R192 WeakPolarHBondContact O-CB 3.49Å; W189-R192 PolarHBondContact O-N 2.96Å; W189-R192 VanDerWaalsContact O-N 3.15Å; W189-Y193 HydrophobicContact CB-CE2 4.03Å; W189-Y193 HydrophobicContact CD2-CE1 4.45Å; W189-Y193 HydrophobicContact CE3-CD1 4.31Å; W189-Y193 AromaticContact CE3-CE1 3.42Å; W189-Y193 HydrophobicContact CE3-CE1 3.42Å; W189-Y193 VanDerWaalsContact CE3-CE1 3.42Å; W189-Y193 HydrophobicContact CE3-CE2 4.5Å; W189-Y193 AromaticContact CE3-CZ 3.54Å; W189-Y193 AromaticContact CZ3-CE1 3.89Å; W189-Y193 HydrophobicContact CZ3-CE1 3.89Å; W189-Y193 WeakPolarHBondContact O-CD2 3.49Å; W189-Y193 PolarHBondContact O-N 2.91Å
190	L	98.5	Very high	97.1	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-46.7	175.7	173.7	52.2	0	0	0	111.3	H25 M27 V50 V125 C186 R192 Y193 L194	H25-L190 HydrophobicContact CB-CD1 4.46Å; M27-L190 HydrophobicContact CB-CB 4Å; M27-L190 HydrophobicContact CB-CD1 4.01Å; M27-L190 HydrophobicContact CB-CD2 4.06Å; M27-L190 HydrophobicContact CB-CG 4.23Å; M27-L190 HydrophobicContact CE-CB 4.46Å; V50-L190 HydrophobicContact CG1-CD1 3.61Å; V50-L190 HydrophobicContact CG2-CD1 4.28Å; V125-L190 HydrophobicContact CB-CD2 4.39Å; V125-L190 HydrophobicContact CG1-CD2 3.95Å; V125-L190 HydrophobicContact CG2-CD2 3.65Å; V125-L190 HydrophobicContact CG2-CG 4.19Å; C186-L190 WeakPolarHBondContact O-CB 3.3Å; C186-L190 PolarHBondContact O-N 2.78Å; L190-R192 VanDerWaalsContact C-N 3.33Å; L190-R192 PolarHBondContact O-N 3.08Å; L190-Y193 PolarHBondContact O-N 3.43Å; L190-L194 HydrophobicContact CD1-CD1 3.74Å; L190-L194 HydrophobicContact CD1-CD2 4.39Å; L190-L194 HydrophobicContact CD1-CG 3.82Å; L190-L194 HydrophobicContact CG-CD1 3.94Å; L190-L194 HydrophobicContact CG-CG 4.47Å; L190-L194 WeakPolarHBondContact O-CB 3.39Å; L190-L194 VanDerWaalsContact O-CG 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 2.81Å
191	R	97.5	Very high	96.9	Very high	119 Å²	119	56 Å²	56	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-41.8	174.6	-72.1	171.1	-175.8	180	4.1	112.7	G129 V187 W189 L194 E195	G129-R191 VanDerWaalsContact O-CZ 3.23Å; G129-R191 PolarHBondContact O-NE 3.04Å; G129-R191 PolarHBondContact O-NH2 3.35Å; V187-R191 WeakPolarHBondContact O-CB 3.37Å; V187-R191 VanDerWaalsContact O-CG 3.23Å; V187-R191 WeakPolarHBondContact O-CG 3.41Å; V187-R191 PolarHBondContact O-N 3.34Å; W189-R191 PolarHBondContact O-N 3.38Å; R191-L194 PolarHBondContact O-N 2.89Å; R191-E195 PolarHBondContact O-N 3.03Å
192	R	97.6	Very high	96.6	Very high	120 Å²	120	57.2 Å²	57.2	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-46.4	176	175.6	175.7	174.7	129.2	-3.7	111.4	E77 E188 W189 L190 E195 N196	E77-R192 IonicContact OE1-CZ 3.44Å; E77-R192 VanDerWaalsContact OE1-CZ 3.29Å; E77-R192 IonicContact OE1-NE 3.52Å; E77-R192 PolarHBondContact OE1-NE 3.27Å; E77-R192 IonicContact OE1-NH2 3.38Å; E77-R192 PolarHBondContact OE1-NH2 2.96Å; E77-R192 IonicContact OE2-CZ 3.38Å; E77-R192 IonicContact OE2-NE 3.61Å; E77-R192 IonicContact OE2-NH2 3.45Å; E77-R192 PolarHBondContact OE2-NH2 3.43Å; E188-R192 PolarHBondContact O-N 2.8Å; E188-R192 VanDerWaalsContact O-N 3.13Å; W189-R192 WeakPolarHBondContact O-CB 3.49Å; W189-R192 PolarHBondContact O-N 2.96Å; W189-R192 VanDerWaalsContact O-N 3.15Å; L190-R192 VanDerWaalsContact C-N 3.33Å; L190-R192 PolarHBondContact O-N 3.08Å; R192-E195 PolarHBondContact O-N 2.94Å; R192-N196 VanDerWaalsContact O-CB 3.26Å; R192-N196 WeakPolarHBondContact O-CB 3.37Å; R192-N196 PolarHBondContact O-N 2.86Å; R192-N196 PolarHBondContact O-OD1 2.88Å
193	Y	97.9	Very high	96.3	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-39.2	177.7	-61.4	-26	0	0	0	112.3	M27 V50 F55 W73 I74 Y81 W189 L190 E195 N196 G197 L201	M27-Y193 HydrophobicContact SD-CD2 3.72Å; M27-Y193 HydrophobicContact SD-CE2 3.46Å; M27-Y193 WeakPolarHBondContact SD-CE2 3.45Å; V50-Y193 HydrophobicContact CG2-CD2 3.84Å; V50-Y193 HydrophobicContact CG2-CG 4.41Å; F55-Y193 HydrophobicContact CD2-CE2 4.34Å; F55-Y193 HydrophobicContact CE1-CE2 4.48Å; F55-Y193 HydrophobicContact CE2-CD2 4.14Å; F55-Y193 AromaticContact CE2-CE2 3.49Å; F55-Y193 HydrophobicContact CE2-CE2 3.49Å; F55-Y193 VanDerWaalsContact CE2-CE2 3.49Å; F55-Y193 AromaticContact CE2-CZ 3.74Å; F55-Y193 HydrophobicContact CZ-CD2 4.15Å; F55-Y193 AromaticContact CZ-CE2 3.59Å; F55-Y193 HydrophobicContact CZ-CE2 3.59Å; W73-Y193 HydrophobicContact CH2-CG 4.15Å; W73-Y193 AromaticContact CZ3-CD1 3.78Å; W73-Y193 HydrophobicContact CZ3-CD1 3.78Å; W73-Y193 HydrophobicContact CZ3-CD2 4.37Å; W73-Y193 AromaticContact CZ3-CG 3.66Å; W73-Y193 HydrophobicContact CZ3-CG 3.66Å; I74-Y193 HydrophobicContact CD1-CD1 3.77Å; I74-Y193 HydrophobicContact CD1-CE1 3.28Å; Y81-Y193 VanDerWaalsContact CE2-OH 3.28Å; Y81-Y193 WeakPolarHBondContact CE2-OH 3.42Å; Y81-Y193 PolarHBondContact OH-OH 2.74Å; W189-Y193 HydrophobicContact CB-CE2 4.03Å; W189-Y193 HydrophobicContact CD2-CE1 4.45Å; W189-Y193 HydrophobicContact CE3-CD1 4.31Å; W189-Y193 AromaticContact CE3-CE1 3.42Å; W189-Y193 HydrophobicContact CE3-CE1 3.42Å; W189-Y193 VanDerWaalsContact CE3-CE1 3.42Å; W189-Y193 HydrophobicContact CE3-CE2 4.5Å; W189-Y193 AromaticContact CE3-CZ 3.54Å; W189-Y193 AromaticContact CZ3-CE1 3.89Å; W189-Y193 HydrophobicContact CZ3-CE1 3.89Å; W189-Y193 WeakPolarHBondContact O-CD2 3.49Å; W189-Y193 PolarHBondContact O-N 2.91Å; L190-Y193 PolarHBondContact O-N 3.43Å; Y193-E195 PolarHBondContact O-N 2.83Å; Y193-N196 PolarHBondContact O-N 2.93Å; Y193-G197 WeakPolarHBondContact O-CA 3.42Å; Y193-G197 PolarHBondContact O-N 3.04Å; Y193-L201 WeakPolarHBondContact O-CD1 3.44Å
194	L	96.8	Very high	96.1	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-35.7	176.5	-72.7	167.7	0	0	0	113.2	H25 V50 L190 R191 K198 L201 Q202	H25-L194 HydrophobicContact CB-CD1 3.64Å; H25-L194 HydrophobicContact CB-CD2 3.96Å; H25-L194 HydrophobicContact CB-CG 4.4Å; H25-L194 WeakPolarHBondContact ND1-CD2 3.47Å; V50-L194 HydrophobicContact CG1-CD2 4.06Å; L190-L194 HydrophobicContact CD1-CD1 3.74Å; L190-L194 HydrophobicContact CD1-CD2 4.39Å; L190-L194 HydrophobicContact CD1-CG 3.82Å; L190-L194 HydrophobicContact CG-CD1 3.94Å; L190-L194 HydrophobicContact CG-CG 4.47Å; L190-L194 WeakPolarHBondContact O-CB 3.39Å; L190-L194 VanDerWaalsContact O-CG 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 2.81Å; R191-L194 PolarHBondContact O-N 2.89Å; L194-K198 VanDerWaalsContact O-CA 3.24Å; L194-K198 WeakPolarHBondContact O-CA 3.46Å; L194-K198 WeakPolarHBondContact O-CB 3.39Å; L194-K198 PolarHBondContact O-N 2.75Å; L194-L201 HydrophobicContact CD2-CB 4.09Å; L194-L201 HydrophobicContact CD2-CD1 4.31Å; L194-Q202 PolarHBondContact O-NE2 2.83Å
195	E	96.4	Very high	96	Very high	113 Å²	113	61 Å²	61	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-78.8	-42.3	173.7	-166.3	64	-158.2	0	0	111.5	R191 R192 Y193 G197 K198	R191-E195 PolarHBondContact O-N 3.03Å; R192-E195 PolarHBondContact O-N 2.94Å; Y193-E195 PolarHBondContact O-N 2.83Å; E195-G197 VanDerWaalsContact C-N 3.31Å; E195-G197 PolarHBondContact O-N 2.91Å; E195-K198 WeakPolarHBondContact O-CB 3.48Å; E195-K198 PolarHBondContact O-N 3.38Å; E195-K198 IonicContact OE1-NZ 2.67Å; E195-K198 PolarHBondContact OE1-NZ 2.91Å; E195-K198 IonicContact OE2-NZ 2.98Å; E195-K198 PolarHBondContact OE2-NZ 2.89Å
196	N	97	Very high	95.9	Very high	53 Å²	53	60.6 Å²	60.6	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-39.5	175.9	-78.3	7	0	0	0	112.7	W73 E77 R192 Y193	W73-N196 WeakPolarHBondContact CB-O 3.35Å; E77-N196 PolarHBondContact OE1-ND2 2.92Å; R192-N196 VanDerWaalsContact O-CB 3.26Å; R192-N196 WeakPolarHBondContact O-CB 3.37Å; R192-N196 PolarHBondContact O-N 2.86Å; R192-N196 PolarHBondContact O-OD1 2.88Å; Y193-N196 PolarHBondContact O-N 2.93Å
197	G	96	Very high	95.9	Very high	3 Å²	3	61 Å²	61	3%	0.031	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	16.4	-175.2	0	0	0	0	0	114.6	W73 Y193 E195 E199 T200 L201	W73-G197 VanDerWaalsContact CB-CA 3.46Å; Y193-G197 WeakPolarHBondContact O-CA 3.42Å; Y193-G197 PolarHBondContact O-N 3.04Å; E195-G197 VanDerWaalsContact C-N 3.31Å; E195-G197 PolarHBondContact O-N 2.91Å; G197-E199 VanDerWaalsContact C-N 3.34Å; G197-E199 PolarHBondContact O-N 2.87Å; G197-T200 CarbonylContact O-C 3.55Å; G197-T200 WeakPolarHBondContact O-CA 3.4Å; G197-T200 WeakPolarHBondContact O-CB 3.46Å; G197-T200 PolarHBondContact O-N 3.03Å; G197-L201 PolarHBondContact O-N 2.65Å
198	K	94.2	Very high	95.9	Very high	88 Å²	88	67.3 Å²	67.3	38%	0.383	32%	0.315	S	S	.	.	H	α-helix	trans	-46.5	-47.2	-169.9	-169	164.1	-164.5	153.7	0	115.2	L194 E195 T200 Q202	L194-K198 VanDerWaalsContact O-CA 3.24Å; L194-K198 WeakPolarHBondContact O-CA 3.46Å; L194-K198 WeakPolarHBondContact O-CB 3.39Å; L194-K198 PolarHBondContact O-N 2.75Å; E195-K198 WeakPolarHBondContact O-CB 3.48Å; E195-K198 PolarHBondContact O-N 3.38Å; E195-K198 IonicContact OE1-NZ 2.67Å; E195-K198 PolarHBondContact OE1-NZ 2.91Å; E195-K198 IonicContact OE2-NZ 2.98Å; E195-K198 PolarHBondContact OE2-NZ 2.89Å; K198-T200 PolarHBondContact O-N 3.22Å; K198-T200 VanDerWaalsContact O-N 3.15Å; K198-Q202 HydrophobicContact CG-CG 4.48Å; K198-Q202 WeakPolarHBondContact O-CB 3.3Å; K198-Q202 PolarHBondContact O-N 2.67Å
199	E	92.4	Very high	95.8	Very high	183 Å²	183	63.1 Å²	63.1	86%	0.855	30%	0.298	S	S	*	.	H	α-helix	trans	-65.3	-14.8	179.1	-58.4	-173.6	156.2	0	0	114	G197 R203	G197-E199 VanDerWaalsContact C-N 3.34Å; G197-E199 PolarHBondContact O-N 2.87Å; E199-R203 WeakPolarHBondContact O-CD 3.47Å
200	T	92.3	Very high	95.7	Very high	46 Å²	46	63.3 Å²	63.3	28%	0.282	30%	0.302	S	S	.	.	H	α-helix	trans	-110.3	-42.3	179.4	-65.4	0	0	0	0	112.5	T53 G197 K198	T53-T200 HydrophobicContact CG2-CG2 4.43Å; G197-T200 CarbonylContact O-C 3.55Å; G197-T200 WeakPolarHBondContact O-CA 3.4Å; G197-T200 WeakPolarHBondContact O-CB 3.46Å; G197-T200 PolarHBondContact O-N 3.03Å; K198-T200 PolarHBondContact O-N 3.22Å; K198-T200 VanDerWaalsContact O-N 3.15Å
201	L	93.5	Very high	95.5	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-88.8	-30.5	-172.5	-60.1	172.9	0	0	0	113.4	V50 T53 W73 Y193 L194 G197	V50-L201 HydrophobicContact CB-CD1 4.29Å; V50-L201 HydrophobicContact CB-CD2 4.15Å; V50-L201 HydrophobicContact CG1-CD1 3.89Å; V50-L201 HydrophobicContact CG1-CD2 4.09Å; V50-L201 HydrophobicContact CG1-CG 4.5Å; T53-L201 HydrophobicContact CG2-CD2 3.95Å; W73-L201 HydrophobicContact CD2-CD1 4.4Å; W73-L201 HydrophobicContact CH2-CD1 4.19Å; W73-L201 HydrophobicContact CZ2-CD1 3.7Å; W73-L201 HydrophobicContact CZ2-CD2 3.95Å; W73-L201 HydrophobicContact CZ2-CG 4.22Å; Y193-L201 WeakPolarHBondContact O-CD1 3.44Å; L194-L201 HydrophobicContact CD2-CB 4.09Å; L194-L201 HydrophobicContact CD2-CD1 4.31Å; G197-L201 PolarHBondContact O-N 2.65Å
202	Q	91.6	Very high	95.4	Very high	89 Å²	89	60.9 Å²	60.9	42%	0.416	30%	0.299	S	S	.	.	S	Bend	trans	-103	19.7	178.8	-56.6	179.3	34.3	0	0	112	L194 K198	L194-Q202 PolarHBondContact O-NE2 2.83Å; K198-Q202 HydrophobicContact CG-CG 4.48Å; K198-Q202 WeakPolarHBondContact O-CB 3.3Å; K198-Q202 PolarHBondContact O-N 2.67Å
203	R	92.9	Very high	95.3	Very high	73 Å²	73	58.2 Å²	58.2	28%	0.275	29%	0.292	S	S	.	.			trans	-93.5	150.6	173.2	87.8	-176	-166.2	-116.6	-12.5	110.3	E199 D205 Y231	E199-R203 WeakPolarHBondContact O-CD 3.47Å; R203-D205 IonicContact CZ-OD2 3.28Å; R203-D205 VanDerWaalsContact CZ-OD2 3.29Å; R203-D205 IonicContact NE-OD1 3.87Å; R203-D205 IonicContact NE-OD2 2.76Å; R203-D205 PolarHBondContact NE-OD2 2.85Å; R203-D205 IonicContact NH2-OD2 2.71Å; R203-D205 PolarHBondContact NH2-OD2 3.38Å; R203-Y231 HydrophobicContact CG-CD1 4.16Å; R203-Y231 VanDerWaalsContact O-CD1 3.3Å; R203-Y231 WeakPolarHBondContact O-CD1 3.36Å
204	T	93.4	Very high	95	Very high	67 Å²	67	63.1 Å²	63.1	41%	0.411	31%	0.314	S	S	.	.			trans	-125.1	108.7	171.5	42.8	0	0	0	0	110	Y231 E286	T204-Y231 CarbonylContact C-O 3.58Å; T204-Y231 WeakPolarHBondContact CA-O 3.21Å; T204-E286 HydrophobicContact CG2-CB 4.13Å; T204-E286 HydrophobicContact CG2-CG 3.94Å
205	D	95.7	Very high	94.8	Very high	50 Å²	50	66.1 Å²	66.1	27%	0.267	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-89.7	114	177.9	-63.7	-46.5	0	0	0	108.8	R203 F230 Y231 H285	R203-D205 IonicContact CZ-OD2 3.28Å; R203-D205 VanDerWaalsContact CZ-OD2 3.29Å; R203-D205 IonicContact NE-OD1 3.87Å; R203-D205 IonicContact NE-OD2 2.76Å; R203-D205 PolarHBondContact NE-OD2 2.85Å; R203-D205 IonicContact NH2-OD2 2.71Å; R203-D205 PolarHBondContact NH2-OD2 3.38Å; D205-F230 WeakPolarHBondContact O-CA 3.23Å; D205-F230 VanDerWaalsContact O-CB 3.29Å; D205-F230 WeakPolarHBondContact O-CB 3.36Å; D205-Y231 PolarHBondContact N-O 3.48Å; D205-Y231 PolarHBondContact O-N 3.36Å; D205-Y231 VanDerWaalsContact O-N 3.13Å; D205-H285 PolarHBondContact O-CE1 3.13Å
206	A	97.3	Very high	94.3	Very high	46 Å²	46	65.1 Å²	65.1	38%	0.38	34%	0.342	S	S	.	.			trans	-71.2	138.9	-178	0	0	0	0	0	112.5	K208 G287 L288	A206-K208 PolarHBondContact O-N 3.44Å; A206-G287 WeakPolarHBondContact CB-O 3.35Å; A206-L288 HydrophobicContact CB-CD2 4.18Å
207	P	98.1	Very high	94	Very high	9 Å²	9	65 Å²	65	6%	0.058	35%	0.346	C	S	.	.			trans	-63.7	126.9	-177.9	25	-35.2	0	0	0	113.1	T209 A227 F230 I235 V283 H285 L288	P207-T209 HydrophobicContact CB-CG2 4.1Å; P207-T209 HydrophobicContact CG-CG2 4.33Å; P207-T209 PolarHBondContact O-N 2.98Å; P207-A227 HydrophobicContact CB-CB 3.86Å; P207-F230 HydrophobicContact CB-CB 3.92Å; P207-F230 HydrophobicContact CB-CD1 3.92Å; P207-F230 HydrophobicContact CB-CG 4.2Å; P207-I235 HydrophobicContact CB-CD1 4.12Å; P207-I235 HydrophobicContact CG-CD1 4.17Å; P207-V283 HydrophobicContact CG-CG1 4.03Å; P207-H285 WeakPolarHBondContact CD-ND1 3.46Å; P207-H285 HydrophobicContact CG-CB 4.06Å; P207-L288 HydrophobicContact CG-CD1 3.84Å; P207-L288 HydrophobicContact CG-CD2 4.2Å; P207-L288 HydrophobicContact CG-CG 4.05Å
208	K	97.9	Very high	93.6	Very high	138 Å²	138	72.1 Å²	72.1	60%	0.6	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	90.5	168.9	-61.7	171	-165	157.4	0	108.3	A206 L228 S229	A206-K208 PolarHBondContact O-N 3.44Å; K208-L228 WeakPolarHBondContact CB-O 3.14Å; K208-L228 PolarHBondContact N-O 2.89Å; K208-L228 PolarHBondContact O-N 3.28Å; K208-S229 PolarHBondContact NZ-OG 3.11Å
209	T	97.4	Very high	93.4	Very high	36 Å²	36	74.9 Å²	74.9	22%	0.221	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	140.3	-174.6	57.6	0	0	0	0	113.4	P207 W226 A227 V283 L292 L294	P207-T209 HydrophobicContact CB-CG2 4.1Å; P207-T209 HydrophobicContact CG-CG2 4.33Å; P207-T209 PolarHBondContact O-N 2.98Å; T209-W226 WeakPolarHBondContact CA-O 3.25Å; T209-A227 HydrophobicContact CG2-CB 4.48Å; T209-V283 HydrophobicContact CG2-CB 4.39Å; T209-V283 HydrophobicContact CG2-CG1 4.15Å; T209-V283 HydrophobicContact CG2-CG2 4.03Å; T209-L292 HydrophobicContact CG2-CD1 4.14Å; T209-L294 HydrophobicContact CG2-CD1 4.05Å
210	H	94.8	Very high	93.5	Very high	79 Å²	79	70.7 Å²	70.7	37%	0.366	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	167	168.1	71.7	-78.1	0	0	0	111.2	W226	H210-W226 VanDerWaalsContact CE1-CB 3.44Å; H210-W226 WeakPolarHBondContact CE1-CB 3.27Å; H210-W226 AromaticContact CE1-CD1 3.87Å; H210-W226 AromaticContact CE1-CG 3.55Å; H210-W226 PolarHBondContact N-O 3.45Å; H210-W226 AromaticContact NE2-CD1 3.58Å; H210-W226 AromaticContact NE2-CG 3.73Å; H210-W226 PolarHBondContact O-N 3.18Å
211	M	95.4	Very high	93.6	Very high	33 Å²	33	68.6 Å²	68.6	16%	0.163	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.3	171.2	-72.9	-164.3	174.6	0	0	111.6	R224 W239 C281 L294 W296	M211-R224 CarbonylContact C-O 3.56Å; M211-R224 WeakPolarHBondContact CA-O 3.46Å; M211-W239 HydrophobicContact CE-CH2 3.24Å; M211-W239 HydrophobicContact CE-CZ2 4.06Å; M211-W239 HydrophobicContact CE-CZ3 3.62Å; M211-W239 HydrophobicContact SD-CH2 3.76Å; M211-W239 HydrophobicContact SD-CZ3 4.47Å; M211-C281 HydrophobicContact CE-CB 3.42Å; M211-C281 VanDerWaalsContact CE-CB 3.42Å; M211-L294 HydrophobicContact CE-CB 3.76Å; M211-L294 VanDerWaalsContact CE-O 3.25Å; M211-L294 WeakPolarHBondContact CE-O 3.48Å; M211-W296 VanDerWaalsContact SD-CA 3.59Å; M211-W296 HydrophobicContact SD-CB 3.84Å; M211-W296 PolarHBondContact SD-N 3.45Å
212	T	94.8	Very high	93.8	Very high	34 Å²	34	69.5 Å²	69.5	21%	0.209	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.1	161.9	57.6	0	0	0	0	110.5	H214 R224 W226	T212-H214 WeakPolarHBondContact CB-NE2 3.48Å; T212-H214 PolarHBondContact OG1-NE2 3.48Å; T212-R224 PolarHBondContact N-O 2.83Å; T212-R224 PolarHBondContact O-N 3.4Å; T212-W226 PolarHBondContact OG1-NE1 2.74Å
213	H	94.5	Very high	94.1	Very high	65 Å²	65	65.2 Å²	65.2	30%	0.301	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.6	179.5	161.1	-71.2	0	0	0	108.4	A221 L223 W296	H213-A221 WeakPolarHBondContact NE2-CB 3.41Å; H213-L223 HydrophobicContact CB-CD2 3.97Å; H213-W296 HydrophobicContact CB-CD2 4.41Å; H213-W296 HydrophobicContact CB-CG 4.46Å; H213-W296 HydrophobicContact CB-CZ2 4.09Å; H213-W296 VanDerWaalsContact CB-NE1 3.33Å; H213-W296 AromaticContact CD2-CE2 3.9Å; H213-W296 AromaticContact CD2-CH2 4Å; H213-W296 AromaticContact CD2-CZ2 3.74Å; H213-W296 AromaticContact CG-CE2 3.88Å; H213-W296 AromaticContact CG-CZ2 3.81Å
214	H	93.1	Very high	94.3	Very high	104 Å²	104	64 Å²	64	48%	0.481	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	113.5	179.4	-53.3	-85.7	0	0	0	108.5	T212 V216 A221 T222	T212-H214 WeakPolarHBondContact CB-NE2 3.48Å; T212-H214 PolarHBondContact OG1-NE2 3.48Å; H214-V216 PolarHBondContact O-N 3.15Å; H214-A221 CarbonylContact O-C 3.56Å; H214-A221 VanDerWaalsContact O-CA 3.32Å; H214-A221 WeakPolarHBondContact O-CA 3.37Å; H214-T222 PolarHBondContact N-O 2.88Å; H214-T222 PolarHBondContact O-N 3.26Å
215	A	91.2	Very high	94.5	Very high	76 Å²	76	60.8 Å²	60.8	63%	0.628	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.5	173.1	0	0	0	0	0	109.6
216	V	87.9	Confident	94.6	Very high	91 Å²	91	60.8 Å²	60.8	55%	0.552	32%	0.322	S	S	*	.			trans	-104.1	-37.7	179.4	-177.8	0	0	0	0	110.1	H214 E220 T222	H214-V216 PolarHBondContact O-N 3.15Å; V216-E220 PolarHBondContact N-O 3.21Å; V216-T222 WeakPolarHBondContact CG2-OG1 3.19Å
217	S	89.6	Confident	94.7	Very high	52 Å²	52	58.6 Å²	58.6	36%	0.364	30%	0.304	S	S	.	.	S	Bend	trans	-148.3	179.8	171.4	70.8	0	0	0	0	110.1	H219 E220	S217-H219 PolarHBondContact O-N 3.32Å; S217-H219 VanDerWaalsContact O-N 3.13Å; S217-H219 PolarHBondContact OG-N 3.05Å; S217-H219 VanDerWaalsContact OG-N 3.12Å; S217-E220 PolarHBondContact N-O 3.02Å; S217-E220 PolarHBondContact O-N 3.37Å; S217-E220 VanDerWaalsContact O-O 3.14Å; S217-E220 PolarHBondContact OG-N 2.95Å; S217-E220 VanDerWaalsContact OG-N 3.14Å
218	D	87.1	Confident	94.7	Very high	151 Å²	151	60.6 Å²	60.6	81%	0.807	31%	0.314	S	S	*	.	S	Bend	trans	-61.4	-17.1	170.6	-63	-32.4	0	0	0	112.8	S273	D218-S273 PolarHBondContact O-OG 2.94Å
219	H	91.4	Very high	94.7	Very high	147 Å²	147	55.5 Å²	55.5	68%	0.681	30%	0.296	S	S	*	.	S	Bend	trans	-110	-14.9	-174	-56.5	-25.6	0	0	0	114.1	S217 P272 S273	S217-H219 PolarHBondContact O-N 3.32Å; S217-H219 VanDerWaalsContact O-N 3.13Å; S217-H219 PolarHBondContact OG-N 3.05Å; S217-H219 VanDerWaalsContact OG-N 3.12Å; H219-P272 CarbonylContact O-C 3.59Å; H219-P272 WeakPolarHBondContact O-CA 3.3Å; H219-S273 WeakPolarHBondContact CA-OG 3.4Å; H219-S273 PolarHBondContact O-N 2.98Å; H219-S273 PolarHBondContact O-OG 2.9Å
220	E	94.2	Very high	94.7	Very high	95 Å²	95	53.8 Å²	53.8	44%	0.444	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141	-172.2	-65.5	-178.8	159.7	0	0	112.7	V216 S217 V270 V271 S273	V216-E220 PolarHBondContact N-O 3.21Å; S217-E220 PolarHBondContact N-O 3.02Å; S217-E220 PolarHBondContact O-N 3.37Å; S217-E220 VanDerWaalsContact O-O 3.14Å; S217-E220 PolarHBondContact OG-N 2.95Å; S217-E220 VanDerWaalsContact OG-N 3.14Å; E220-V270 HydrophobicContact CB-CG1 4.1Å; E220-V270 HydrophobicContact CG-CG1 4.34Å; E220-V271 WeakPolarHBondContact CA-O 3.38Å; E220-S273 PolarHBondContact N-OG 3.16Å
221	A	94.8	Very high	94.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.2	170.9	0	0	0	0	0	111	H213 H214 V271	H213-A221 WeakPolarHBondContact NE2-CB 3.41Å; H214-A221 CarbonylContact O-C 3.56Å; H214-A221 VanDerWaalsContact O-CA 3.32Å; H214-A221 WeakPolarHBondContact O-CA 3.37Å; A221-V271 HydrophobicContact CB-CG2 4.41Å; A221-V271 PolarHBondContact N-O 3.07Å; A221-V271 PolarHBondContact O-N 3.4Å
222	T	96.8	Very high	94.7	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.5	166.3	-54	0	0	0	0	109.2	H214 V216	H214-T222 PolarHBondContact N-O 2.88Å; H214-T222 PolarHBondContact O-N 3.26Å; V216-T222 WeakPolarHBondContact CG2-OG1 3.19Å
223	L	97.3	Very high	94.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.5	162.2	-61.8	-177.4	0	0	0	108.6	H213 W239 S268 V269 V271 E276 W296	H213-L223 HydrophobicContact CB-CD2 3.97Å; L223-W239 HydrophobicContact CB-CH2 3.56Å; L223-W239 HydrophobicContact CB-CZ2 3.79Å; L223-W239 HydrophobicContact CB-CZ3 4.43Å; L223-W239 HydrophobicContact CD1-CH2 3.91Å; L223-W239 HydrophobicContact CD1-CZ3 4.12Å; L223-W239 HydrophobicContact CG-CH2 4.4Å; L223-S268 CarbonylContact O-C 3.58Å; L223-S268 WeakPolarHBondContact O-CA 3.33Å; L223-S268 WeakPolarHBondContact O-CB 3.47Å; L223-V269 HydrophobicContact CB-CG1 4.43Å; L223-V269 PolarHBondContact N-O 2.67Å; L223-V269 PolarHBondContact O-N 2.73Å; L223-V271 HydrophobicContact CD1-CG1 3.95Å; L223-V271 HydrophobicContact CD1-CG2 4.13Å; L223-V271 HydrophobicContact CG-CG1 4.08Å; L223-V271 HydrophobicContact CG-CG2 3.89Å; L223-E276 HydrophobicContact CD1-CB 4.07Å; L223-E276 HydrophobicContact CD2-CB 4.42Å; L223-E276 HydrophobicContact CD2-CG 4.25Å; L223-W296 HydrophobicContact CD1-CB 4.36Å; L223-W296 HydrophobicContact CD2-CB 3.95Å; L223-W296 HydrophobicContact CD2-CD2 4.31Å; L223-W296 HydrophobicContact CD2-CG 3.92Å
224	R	97.8	Very high	94.9	Very high	47 Å²	47	50.7 Å²	50.7	18%	0.177	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.9	174.2	-173.2	173.5	-74.7	112.8	-0	110.7	M211 T212 W226 E251 W266 A267 S268	M211-R224 CarbonylContact C-O 3.56Å; M211-R224 WeakPolarHBondContact CA-O 3.46Å; T212-R224 PolarHBondContact N-O 2.83Å; T212-R224 PolarHBondContact O-N 3.4Å; R224-W226 HydrophobicContact CG-CZ2 4.45Å; R224-E251 IonicContact NH2-OE2 2.81Å; R224-E251 PolarHBondContact NH2-OE2 3.38Å; R224-W266 HydrophobicContact CG-CB 4.04Å; R224-W266 HydrophobicContact CG-CD2 4.17Å; R224-W266 HydrophobicContact CG-CE3 3.99Å; R224-W266 HydrophobicContact CG-CG 4.26Å; R224-A267 WeakPolarHBondContact CA-O 3.44Å; R224-S268 VanDerWaalsContact CZ-OG 3.29Å; R224-S268 PolarHBondContact NE-OG 3.45Å; R224-S268 PolarHBondContact NH2-OG 2.99Å
225	C	97.9	Very high	95	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.8	174	-175.2	0	0	0	0	109.3	W239 W266 A267 C281	C225-W239 HydrophobicContact CB-CZ2 3.69Å; C225-W266 CarbonylContact O-C 3.56Å; C225-W266 WeakPolarHBondContact O-CA 3.4Å; C225-W266 WeakPolarHBondContact O-CB 3.17Å; C225-A267 PolarHBondContact N-O 3.38Å; C225-A267 PolarHBondContact O-N 2.94Å; C225-C281 HydrophobicContact CB-CB 3.48Å; C225-C281 VanDerWaalsContact CB-CB 3.48Å; C225-C281 WeakPolarHBondContact CB-SG 3.31Å; C225-C281 WeakPolarHBondContact SG-CB 3.22Å; C225-C281 CovalentContact SG-SG 2.03Å; C225-C281 PolarHBondContact SG-SG 3.13Å
226	W	98.3	Very high	95.3	Very high	50 Å²	50	44.3 Å²	44.3	19%	0.189	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.9	-179.3	-67.2	82	0	0	0	110.8	T209 H210 T212 R224 L228 W266	T209-W226 WeakPolarHBondContact CA-O 3.25Å; H210-W226 VanDerWaalsContact CE1-CB 3.44Å; H210-W226 WeakPolarHBondContact CE1-CB 3.27Å; H210-W226 AromaticContact CE1-CD1 3.87Å; H210-W226 AromaticContact CE1-CG 3.55Å; H210-W226 PolarHBondContact N-O 3.45Å; H210-W226 AromaticContact NE2-CD1 3.58Å; H210-W226 AromaticContact NE2-CG 3.73Å; H210-W226 PolarHBondContact O-N 3.18Å; T212-W226 PolarHBondContact OG1-NE1 2.74Å; R224-W226 HydrophobicContact CG-CZ2 4.45Å; W226-L228 HydrophobicContact CE3-CD2 4.05Å; W226-W266 HydrophobicContact CD2-CB 3.96Å; W226-W266 HydrophobicContact CD2-CG 4.36Å; W226-W266 HydrophobicContact CE3-CB 3.95Å; W226-W266 AromaticContact CE3-CD1 3.68Å; W226-W266 HydrophobicContact CE3-CG 4.11Å; W226-W266 HydrophobicContact CG-CB 4.28Å; W226-W266 AromaticContact CH2-CD1 3.67Å; W226-W266 HydrophobicContact CH2-CG 4.35Å; W226-W266 AromaticContact CH2-NE1 3.93Å; W226-W266 HydrophobicContact CZ3-CB 4.46Å; W226-W266 AromaticContact CZ3-CD1 3.33Å; W226-W266 HydrophobicContact CZ3-CG 4.13Å; W226-W266 AromaticContact CZ3-NE1 3.97Å
227	A	98.4	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.2	161.3	0	0	0	0	0	108.3	P207 T209 F230 I235 L237 Q264 K265	P207-A227 HydrophobicContact CB-CB 3.86Å; T209-A227 HydrophobicContact CG2-CB 4.48Å; A227-F230 HydrophobicContact CB-CD1 4Å; A227-F230 HydrophobicContact CB-CE1 3.73Å; A227-F230 WeakPolarHBondContact O-CE1 3.32Å; A227-I235 HydrophobicContact CB-CD1 3.82Å; A227-L237 HydrophobicContact CB-CD1 4.03Å; A227-L237 HydrophobicContact CB-CD2 4.29Å; A227-Q264 WeakPolarHBondContact O-CA 3.49Å; A227-K265 PolarHBondContact N-O 2.59Å; A227-K265 PolarHBondContact O-N 3.28Å
228	L	98.3	Very high	96.1	Very high	51 Å²	51	39.7 Å²	39.7	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.1	-175.8	-61.2	178.2	0	0	0	111.2	K208 W226 F230 Q264	K208-L228 WeakPolarHBondContact CB-O 3.14Å; K208-L228 PolarHBondContact N-O 2.89Å; K208-L228 PolarHBondContact O-N 3.28Å; W226-L228 HydrophobicContact CE3-CD2 4.05Å; L228-F230 PolarHBondContact O-N 2.8Å; L228-Q264 HydrophobicContact CD2-CB 3.61Å
229	S	97.5	Very high	96.6	Very high	31 Å²	31	32.6 Å²	32.6	22%	0.217	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.9	48.4	175.6	-55.5	0	0	0	0	114.5	K208 T262 F263	K208-S229 PolarHBondContact NZ-OG 3.11Å; S229-T262 WeakPolarHBondContact CA-OG1 3.45Å; S229-F263 PolarHBondContact N-O 2.84Å
230	F	97.6	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	159	175.2	58.8	-92	0	0	0	113.1	D205 P207 A227 L228 P232 I235 T255 T262 F263 K265 H285	D205-F230 WeakPolarHBondContact O-CA 3.23Å; D205-F230 VanDerWaalsContact O-CB 3.29Å; D205-F230 WeakPolarHBondContact O-CB 3.36Å; P207-F230 HydrophobicContact CB-CB 3.92Å; P207-F230 HydrophobicContact CB-CD1 3.92Å; P207-F230 HydrophobicContact CB-CG 4.2Å; A227-F230 HydrophobicContact CB-CD1 4Å; A227-F230 HydrophobicContact CB-CE1 3.73Å; A227-F230 WeakPolarHBondContact O-CE1 3.32Å; L228-F230 PolarHBondContact O-N 2.8Å; F230-P232 WeakPolarHBondContact CD2-O 3.36Å; F230-I235 HydrophobicContact CD1-CD1 3.91Å; F230-I235 HydrophobicContact CD2-CB 4.4Å; F230-I235 HydrophobicContact CD2-CD1 3.94Å; F230-I235 HydrophobicContact CE1-CD1 3.81Å; F230-I235 HydrophobicContact CE2-CB 3.88Å; F230-I235 HydrophobicContact CE2-CD1 3.87Å; F230-I235 HydrophobicContact CE2-CG1 4.47Å; F230-I235 HydrophobicContact CE2-CG2 3.59Å; F230-I235 HydrophobicContact CG-CD1 3.98Å; F230-I235 HydrophobicContact CZ-CB 4.27Å; F230-I235 HydrophobicContact CZ-CD1 3.82Å; F230-I235 HydrophobicContact CZ-CG2 3.6Å; F230-T255 HydrophobicContact CE2-CG2 4.01Å; F230-T255 HydrophobicContact CZ-CG2 3.88Å; F230-T262 CarbonylContact O-C 3.54Å; F230-T262 WeakPolarHBondContact O-CA 3.41Å; F230-F263 WeakPolarHBondContact CD1-O 3.15Å; F230-F263 HydrophobicContact CD2-CB 3.87Å; F230-F263 HydrophobicContact CE1-CB 4.41Å; F230-F263 WeakPolarHBondContact CE1-O 3.18Å; F230-F263 HydrophobicContact CE2-CB 3.45Å; F230-F263 VanDerWaalsContact CE2-CB 3.45Å; F230-F263 HydrophobicContact CG-CB 4.48Å; F230-F263 HydrophobicContact CZ-CB 3.74Å; F230-F263 PolarHBondContact N-O 3.18Å; F230-F263 PolarHBondContact O-N 2.04Å; F230-K265 HydrophobicContact CE1-CB 4.38Å; F230-K265 HydrophobicContact CZ-CB 4.07Å; F230-H285 AromaticContact CD2-CD2 4Å; F230-H285 AromaticContact CD2-NE2 3.8Å
231	Y	96	Very high	97.1	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.016	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-156.4	135.5	176.1	179	-84	0	0	0	108.7	D52 T53 R203 T204 D205 G261 F263 H285	D52-Y231 HydrophobicContact CB-CE2 4.11Å; T53-Y231 WeakPolarHBondContact OG1-CE2 3.02Å; T53-Y231 PolarHBondContact OG1-OH 2.9Å; T53-Y231 VanDerWaalsContact OG1-OH 3.04Å; R203-Y231 HydrophobicContact CG-CD1 4.16Å; R203-Y231 VanDerWaalsContact O-CD1 3.3Å; R203-Y231 WeakPolarHBondContact O-CD1 3.36Å; T204-Y231 CarbonylContact C-O 3.58Å; T204-Y231 WeakPolarHBondContact CA-O 3.21Å; D205-Y231 PolarHBondContact N-O 3.48Å; D205-Y231 PolarHBondContact O-N 3.36Å; D205-Y231 VanDerWaalsContact O-N 3.13Å; Y231-G261 WeakPolarHBondContact CD2-O 3.01Å; Y231-F263 HydrophobicContact CD2-CD2 4.44Å; Y231-F263 HydrophobicContact CD2-CE2 4.09Å; Y231-H285 PolarHBondContact O-CE1 3.15Å; Y231-H285 VanDerWaalsContact O-CE1 3.23Å
232	P	95.2	Very high	97.1	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.143	16%	0.158	C	C	.	.	S	Bend	cis	-67.7	176.2	-0	29.4	-36.9	0	0	0	113.1	D52 F230 H285	D52-P232 WeakPolarHBondContact OD2-CB 3.44Å; F230-P232 WeakPolarHBondContact CD2-O 3.36Å; P232-H285 PolarHBondContact O-NE2 3.18Å
233	A	96.6	Very high	96.8	Very high	11 Å²	11	32.4 Å²	32.4	9%	0.091	17%	0.174	C	C	.	.	S	Bend	trans	-72.8	-23.9	-175.5	0	0	0	0	0	114.1	D52 I235 T255 F263	D52-A233 HydrophobicContact CB-CB 4.36Å; D52-A233 VanDerWaalsContact CG-CB 3.43Å; D52-A233 WeakPolarHBondContact OD1-CB 3.33Å; D52-A233 WeakPolarHBondContact OD2-CB 3.03Å; D52-A233 PolarHBondContact OD2-N 3.03Å; A233-I235 PolarHBondContact O-N 3.28Å; A233-T255 HydrophobicContact CB-CG2 4.26Å; A233-T255 WeakPolarHBondContact O-CG2 3.45Å; A233-F263 HydrophobicContact CB-CB 4.41Å; A233-F263 HydrophobicContact CB-CD1 3.64Å; A233-F263 HydrophobicContact CB-CD2 3.63Å; A233-F263 HydrophobicContact CB-CE1 3.75Å; A233-F263 HydrophobicContact CB-CE2 3.76Å; A233-F263 HydrophobicContact CB-CG 3.59Å; A233-F263 HydrophobicContact CB-CZ 3.83Å
234	E	95.6	Very high	96.7	Very high	108 Å²	108	38.4 Å²	38.4	51%	0.505	20%	0.202	S	C	.	.			trans	-69.4	120.9	-178	-171.6	42	-115.3	0	0	110.4	W21 H285	W21-E234 HydrophobicContact CE3-CG 4.35Å; W21-E234 HydrophobicContact CH2-CG 3.6Å; W21-E234 HydrophobicContact CZ2-CG 3.91Å; W21-E234 HydrophobicContact CZ3-CB 4.34Å; W21-E234 HydrophobicContact CZ3-CG 3.84Å; E234-H285 PolarHBondContact O-CD2 2.83Å
235	I	96.6	Very high	96.5	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	22%	0.218	C	C	.	.			trans	-158.6	133.7	-169.8	-164.8	172.5	0	0	0	111	P207 A227 F230 A233 L237 K265 V283 Q284 H285	P207-I235 HydrophobicContact CB-CD1 4.12Å; P207-I235 HydrophobicContact CG-CD1 4.17Å; A227-I235 HydrophobicContact CB-CD1 3.82Å; F230-I235 HydrophobicContact CD1-CD1 3.91Å; F230-I235 HydrophobicContact CD2-CB 4.4Å; F230-I235 HydrophobicContact CD2-CD1 3.94Å; F230-I235 HydrophobicContact CE1-CD1 3.81Å; F230-I235 HydrophobicContact CE2-CB 3.88Å; F230-I235 HydrophobicContact CE2-CD1 3.87Å; F230-I235 HydrophobicContact CE2-CG1 4.47Å; F230-I235 HydrophobicContact CE2-CG2 3.59Å; F230-I235 HydrophobicContact CG-CD1 3.98Å; F230-I235 HydrophobicContact CZ-CB 4.27Å; F230-I235 HydrophobicContact CZ-CD1 3.82Å; F230-I235 HydrophobicContact CZ-CG2 3.6Å; A233-I235 PolarHBondContact O-N 3.28Å; I235-L237 HydrophobicContact CD1-CD1 3.78Å; I235-L237 HydrophobicContact CG1-CD1 3.77Å; I235-L237 HydrophobicContact CG2-CD1 4.31Å; I235-K265 HydrophobicContact CG2-CB 4.27Å; I235-K265 HydrophobicContact CG2-CD 3.53Å; I235-V283 HydrophobicContact CD1-CG1 4.13Å; I235-V283 HydrophobicContact CG1-CG1 4.45Å; I235-Q284 WeakPolarHBondContact CG1-O 3.28Å; I235-H285 HydrophobicContact CD1-CB 4.2Å; I235-H285 HydrophobicContact CG1-CB 4.02Å
236	T	97.2	Very high	96.4	Very high	40 Å²	40	41 Å²	41	25%	0.245	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.9	174.9	-65.9	0	0	0	0	110.6	T238 V283 Q284	T236-T238 HydrophobicContact CG2-CG2 3.97Å; T236-V283 WeakPolarHBondContact O-CA 3.32Å; T236-Q284 PolarHBondContact N-O 3.44Å; T236-Q284 PolarHBondContact O-N 2.88Å
237	L	97.6	Very high	96	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122	168.7	-90.2	62.6	0	0	0	108.2	A227 I235 L252 K265 A267 H282 V283	A227-L237 HydrophobicContact CB-CD1 4.03Å; A227-L237 HydrophobicContact CB-CD2 4.29Å; I235-L237 HydrophobicContact CD1-CD1 3.78Å; I235-L237 HydrophobicContact CG1-CD1 3.77Å; I235-L237 HydrophobicContact CG2-CD1 4.31Å; L237-L252 HydrophobicContact CB-CD1 4.06Å; L237-K265 HydrophobicContact CD1-CD 4.34Å; L237-K265 HydrophobicContact CD2-CB 4.36Å; L237-K265 HydrophobicContact CD2-CG 4.42Å; L237-A267 HydrophobicContact CB-CB 4.2Å; L237-A267 HydrophobicContact CD2-CB 4.37Å; L237-H282 WeakPolarHBondContact CA-O 3.45Å; L237-V283 HydrophobicContact CD1-CG1 3.99Å; L237-V283 HydrophobicContact CD1-CG2 4.39Å; L237-V283 HydrophobicContact CG-CG2 4.27Å
238	T	97	Very high	95.7	Very high	40 Å²	40	53.1 Å²	53.1	25%	0.245	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.4	174.9	54.9	0	0	0	0	111.7	T236 C281 H282	T236-T238 HydrophobicContact CG2-CG2 3.97Å; T238-C281 CarbonylContact O-C 3.55Å; T238-C281 WeakPolarHBondContact O-CA 3.34Å; T238-H282 PolarHBondContact N-O 2.95Å; T238-H282 PolarHBondContact O-N 2.85Å
239	W	97.7	Very high	95.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.6	169.5	-81.9	103.8	0	0	0	110.6	M211 L223 C225 Q246 A267 V269 T280 C281	M211-W239 HydrophobicContact CE-CH2 3.24Å; M211-W239 HydrophobicContact CE-CZ2 4.06Å; M211-W239 HydrophobicContact CE-CZ3 3.62Å; M211-W239 HydrophobicContact SD-CH2 3.76Å; M211-W239 HydrophobicContact SD-CZ3 4.47Å; L223-W239 HydrophobicContact CB-CH2 3.56Å; L223-W239 HydrophobicContact CB-CZ2 3.79Å; L223-W239 HydrophobicContact CB-CZ3 4.43Å; L223-W239 HydrophobicContact CD1-CH2 3.91Å; L223-W239 HydrophobicContact CD1-CZ3 4.12Å; L223-W239 HydrophobicContact CG-CH2 4.4Å; C225-W239 HydrophobicContact CB-CZ2 3.69Å; W239-Q246 HydrophobicContact CB-CB 4.31Å; W239-Q246 PolarHBondContact O-N 3.05Å; W239-A267 PolarHBondContact NE1-O 2.94Å; W239-V269 HydrophobicContact CB-CG1 4.38Å; W239-V269 HydrophobicContact CD2-CB 4.37Å; W239-V269 HydrophobicContact CD2-CG1 3.52Å; W239-V269 HydrophobicContact CE3-CG1 3.86Å; W239-V269 HydrophobicContact CG-CB 4.12Å; W239-V269 HydrophobicContact CG-CG1 3.78Å; W239-V269 HydrophobicContact CH2-CG1 4.41Å; W239-V269 HydrophobicContact CZ2-CG1 4.13Å; W239-V269 HydrophobicContact CZ3-CG1 4.3Å; W239-T280 WeakPolarHBondContact CA-O 3.4Å; W239-T280 VanDerWaalsContact CE3-C 3.43Å; W239-C281 HydrophobicContact CD2-CB 4.15Å; W239-C281 HydrophobicContact CE3-CB 4.11Å; W239-C281 HydrophobicContact CH2-CB 4.19Å; W239-C281 HydrophobicContact CZ2-CB 4.21Å; W239-C281 HydrophobicContact CZ3-CB 4.12Å
240	Q	97.5	Very high	95.2	Very high	39 Å²	39	55.5 Å²	55.5	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.6	171.3	-74.1	-177.1	-9	0	0	110.8	E244 D245 Y279 T280 H282	Q240-E244 CarbonylContact C-O 3.51Å; Q240-E244 WeakPolarHBondContact CA-O 3.45Å; Q240-D245 WeakPolarHBondContact CG-OD1 3.41Å; Q240-D245 PolarHBondContact NE2-OD1 3.2Å; Q240-Y279 CarbonylContact O-C 3.51Å; Q240-Y279 WeakPolarHBondContact O-CA 3.31Å; Q240-T280 PolarHBondContact N-O 3.04Å; Q240-T280 PolarHBondContact O-N 2.97Å; Q240-T280 PolarHBondContact O-OG1 3.11Å; Q240-H282 WeakPolarHBondContact CB-NE2 3.47Å; Q240-H282 WeakPolarHBondContact CG-NE2 3.35Å; Q240-H282 PolarHBondContact OE1-NE2 3.04Å
241	R	97	Very high	95.1	Very high	74 Å²	74	60.4 Å²	60.4	28%	0.279	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.5	168.9	-178.2	-175.1	65.1	-144.2	-8.7	108.7	G243 E244 Q246 R278 Y279	R241-G243 PolarHBondContact O-N 3.15Å; R241-E244 PolarHBondContact N-O 3.15Å; R241-E244 IonicContact NH2-OE2 3.75Å; R241-E244 PolarHBondContact O-N 2.97Å; R241-Q246 HydrophobicContact CB-CG 3.89Å; R241-R278 WeakPolarHBondContact CA-O 3.47Å; R241-R278 HydrophobicContact CG-CB 4.26Å; R241-Y279 HydrophobicContact CB-CD1 4.1Å; R241-Y279 HydrophobicContact CB-CE1 3.96Å; R241-Y279 HydrophobicContact CG-CD2 4.38Å; R241-Y279 HydrophobicContact CG-CE1 4.21Å; R241-Y279 HydrophobicContact CG-CE2 4.05Å
242	D	94.5	Very high	95.2	Very high	102 Å²	102	64.5 Å²	64.5	55%	0.545	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	16.2	-174.6	-51.2	-57.7	0	0	0	115.4	R278	D242-R278 PolarHBondContact N-O 3.17Å; D242-R278 WeakPolarHBondContact OD1-CB 3.44Å; D242-R278 IonicContact OD1-NE 2.81Å; D242-R278 PolarHBondContact OD1-NE 3.12Å; D242-R278 IonicContact OD2-CZ 3.94Å; D242-R278 IonicContact OD2-NE 2.65Å; D242-R278 PolarHBondContact OD2-NE 2.86Å; D242-R278 IonicContact OD2-NH2 3.12Å; D242-R278 PolarHBondContact OD2-NH2 3.35Å
243	G	90.5	Very high	95.3	Very high	47 Å²	47	65.1 Å²	65.1	49%	0.485	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.7	-2.8	-175.7	0	0	0	0	0	115.5	R241	R241-G243 PolarHBondContact O-N 3.15Å
244	E	95.2	Very high	95.3	Very high	126 Å²	126	72.8 Å²	72.8	59%	0.589	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.3	173.6	-61	-176.5	152.9	0	0	111	Q240 R241 Q246	Q240-E244 CarbonylContact C-O 3.51Å; Q240-E244 WeakPolarHBondContact CA-O 3.45Å; R241-E244 PolarHBondContact N-O 3.15Å; R241-E244 IonicContact NH2-OE2 3.75Å; R241-E244 PolarHBondContact O-N 2.97Å; E244-Q246 PolarHBondContact O-NE2 2.82Å; E244-Q246 VanDerWaalsContact O-NE2 3.09Å
245	D	95.3	Very high	95.4	Very high	93 Å²	93	69.8 Å²	69.8	50%	0.497	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.3	178.3	-63	-46.5	0	0	0	111.8	Q240	Q240-D245 WeakPolarHBondContact CG-OD1 3.41Å; Q240-D245 PolarHBondContact NE2-OD1 3.2Å
246	Q	95.1	Very high	95.4	Very high	9 Å²	9	74.1 Å²	74.1	4%	0.042	38%	0.384	C	S	.	.			trans	-107.1	36.3	-175.4	-55.1	-63.8	-97.4	0	0	111.8	W239 R241 E244 Q248 D249 T250 Y279	W239-Q246 HydrophobicContact CB-CB 4.31Å; W239-Q246 PolarHBondContact O-N 3.05Å; R241-Q246 HydrophobicContact CB-CG 3.89Å; E244-Q246 PolarHBondContact O-NE2 2.82Å; E244-Q246 VanDerWaalsContact O-NE2 3.09Å; Q246-Q248 VanDerWaalsContact C-N 3.28Å; Q246-Q248 PolarHBondContact O-N 3.18Å; Q246-D249 PolarHBondContact O-N 3.29Å; Q246-D249 VanDerWaalsContact O-N 3.1Å; Q246-T250 WeakPolarHBondContact O-CB 3.43Å; Q246-T250 PolarHBondContact O-N 3.45Å; Q246-T250 VanDerWaalsContact O-N 3.12Å; Q246-T250 PolarHBondContact O-OG1 2.88Å; Q246-Y279 HydrophobicContact CG-CE1 4.33Å
247	T	90.4	Very high	95.4	Very high	108 Å²	108	76.4 Å²	76.4	66%	0.663	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.5	-166.6	-45.1	0	0	0	0	114.5
248	Q	90.9	Very high	95.4	Very high	195 Å²	195	78.4 Å²	78.4	91%	0.911	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-30.7	178.2	-65.6	-175	-0.7	0	0	112.9	Q246 T250	Q246-Q248 VanDerWaalsContact C-N 3.28Å; Q246-Q248 PolarHBondContact O-N 3.18Å; Q248-T250 VanDerWaalsContact C-N 3.32Å
249	D	90.1	Very high	95.2	Very high	109 Å²	109	80.1 Å²	80.1	58%	0.583	44%	0.443	S	S	*	.	S	Bend	trans	-91	3.5	179.9	-52	-62.4	0	0	0	112.5	Q246 V269	Q246-D249 PolarHBondContact O-N 3.29Å; Q246-D249 VanDerWaalsContact O-N 3.1Å; D249-V269 HydrophobicContact CB-CG2 4.43Å
250	T	95.5	Very high	94.9	Very high	23 Å²	23	85 Å²	85	14%	0.141	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.1	-177	-63.1	0	0	0	0	111.8	Q246 Q248 L252 A267 S268	Q246-T250 WeakPolarHBondContact O-CB 3.43Å; Q246-T250 PolarHBondContact O-N 3.45Å; Q246-T250 VanDerWaalsContact O-N 3.12Å; Q246-T250 PolarHBondContact O-OG1 2.88Å; Q248-T250 VanDerWaalsContact C-N 3.32Å; T250-L252 HydrophobicContact CG2-CB 4.28Å; T250-L252 PolarHBondContact O-N 2.98Å; T250-A267 HydrophobicContact CG2-CB 3.95Å; T250-S268 CarbonylContact C-O 3.59Å; T250-S268 WeakPolarHBondContact CA-O 3.32Å
251	E	96.8	Very high	94.7	Very high	104 Å²	104	85 Å²	85	49%	0.486	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	95.8	164.5	-174.6	-165.7	-154.3	0	0	109.1	R224 W266 A267 S268	R224-E251 IonicContact NH2-OE2 2.81Å; R224-E251 PolarHBondContact NH2-OE2 3.38Å; E251-W266 HydrophobicContact CB-CZ3 4.35Å; E251-W266 VanDerWaalsContact CD-CZ3 3.42Å; E251-W266 HydrophobicContact CG-CH2 4.01Å; E251-W266 HydrophobicContact CG-CZ3 3.72Å; E251-W266 WeakPolarHBondContact OE2-CH2 3.43Å; E251-W266 WeakPolarHBondContact OE2-CZ3 3.43Å; E251-A267 CarbonylContact O-C 3.52Å; E251-A267 WeakPolarHBondContact O-CA 3.49Å; E251-S268 PolarHBondContact N-O 2.85Å; E251-S268 PolarHBondContact O-N 2.81Å; E251-S268 PolarHBondContact OE2-OG 2.86Å
252	L	96.8	Very high	94.7	Very high	89 Å²	89	82.1 Å²	82.1	47%	0.466	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.4	177	-175.9	69.4	0	0	0	110.5	L237 T250 A267	L237-L252 HydrophobicContact CB-CD1 4.06Å; T250-L252 HydrophobicContact CG2-CB 4.28Å; T250-L252 PolarHBondContact O-N 2.98Å; L252-A267 HydrophobicContact CD1-CB 3.74Å
253	V	96.9	Very high	94.8	Very high	35 Å²	35	78.5 Å²	78.5	21%	0.212	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-85.7	153.3	173.6	-65.5	0	0	0	0	112.7	K265 W266	V253-K265 HydrophobicContact CG2-CG 4.47Å; V253-K265 WeakPolarHBondContact O-CE 3.47Å; V253-K265 WeakPolarHBondContact O-CG 3.42Å; V253-K265 PolarHBondContact O-NZ 2.85Å; V253-W266 HydrophobicContact CG1-CD2 4.03Å; V253-W266 HydrophobicContact CG1-CE3 4.14Å; V253-W266 HydrophobicContact CG1-CH2 3.51Å; V253-W266 HydrophobicContact CG1-CZ2 3.37Å; V253-W266 HydrophobicContact CG1-CZ3 3.86Å; V253-W266 HydrophobicContact CG2-CD2 3.73Å; V253-W266 HydrophobicContact CG2-CE3 4.3Å; V253-W266 HydrophobicContact CG2-CG 3.81Å; V253-W266 HydrophobicContact CG2-CZ2 4.44Å; V253-W266 WeakPolarHBondContact CG2-O 3.33Å; V253-W266 PolarHBondContact N-O 2.95Å
254	E	96.7	Very high	95.2	Very high	173 Å²	173	78.3 Å²	78.3	81%	0.808	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-53.4	149.2	164.7	-66.2	-178.5	166.2	0	0	111.1	R256	E254-R256 PolarHBondContact O-N 2.87Å
255	T	97.9	Very high	95.4	Very high	44 Å²	44	73.4 Å²	73.4	27%	0.27	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-72.3	131.1	173.9	-55	0	0	0	0	108.3	F230 A233 F263 K265	F230-T255 HydrophobicContact CE2-CG2 4.01Å; F230-T255 HydrophobicContact CZ-CG2 3.88Å; A233-T255 HydrophobicContact CB-CG2 4.26Å; A233-T255 WeakPolarHBondContact O-CG2 3.45Å; T255-F263 HydrophobicContact CG2-CB 3.87Å; T255-F263 HydrophobicContact CG2-CD1 4.04Å; T255-F263 HydrophobicContact CG2-CG 4.26Å; T255-K265 VanDerWaalsContact N-NZ 3.18Å; T255-K265 WeakPolarHBondContact OG1-CD 3.25Å; T255-K265 PolarHBondContact OG1-NZ 3Å
256	R	97.3	Very high	95.5	Very high	97 Å²	97	70.2 Å²	70.2	37%	0.366	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146	-176	69.6	-163.7	-176.2	-172.9	4.3	110.9	E254 Q264	E254-R256 PolarHBondContact O-N 2.87Å; R256-Q264 HydrophobicContact CG-CG 3.68Å; R256-Q264 PolarHBondContact N-O 3.15Å; R256-Q264 VanDerWaalsContact NE-CD 3.27Å; R256-Q264 VanDerWaalsContact O-CG 3.25Å; R256-Q264 WeakPolarHBondContact O-CG 3.49Å; R256-Q264 PolarHBondContact O-N 3.37Å
257	P	97.1	Very high	95.6	Very high	88 Å²	88	69.8 Å²	69.8	57%	0.571	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	154.4	176.6	27.5	-34.6	0	0	0	111.6	F263 Q264	P257-F263 HydrophobicContact CB-CD1 4.34Å; P257-F263 HydrophobicContact CB-CE1 4.05Å; P257-Q264 PolarHBondContact O-NE2 3.41Å; P257-Q264 VanDerWaalsContact O-NE2 3.15Å
258	A	96.4	Very high	96	Very high	50 Å²	50	64.7 Å²	64.7	41%	0.413	36%	0.361	S	S	.	.			trans	-93.4	-18.5	168.8	0	0	0	0	0	112.7	D260 T262 Q264	A258-D260 WeakPolarHBondContact CB-OD1 3.18Å; A258-T262 WeakPolarHBondContact CB-O 3.43Å; A258-T262 PolarHBondContact N-O 2.97Å; A258-Q264 HydrophobicContact CB-CG 4.48Å
259	G	93.1	Very high	96.3	Very high	76 Å²	76	55.5 Å²	55.5	78%	0.784	32%	0.318	S	S	*	.	S	Bend	trans	96.6	-6.1	178.5	0	0	0	0	0	114.9
260	D	92.8	Very high	96.6	Very high	104 Å²	104	53.8 Å²	53.8	56%	0.556	31%	0.312	S	S	*	.	S	Bend	trans	-101.4	10.3	175.6	60.5	-0.6	0	0	0	113.1	A258 T262	A258-D260 WeakPolarHBondContact CB-OD1 3.18Å; D260-T262 WeakPolarHBondContact OD1-CA 3.37Å; D260-T262 WeakPolarHBondContact OD1-CB 3.49Å; D260-T262 PolarHBondContact OD1-N 3.06Å; D260-T262 PolarHBondContact OD1-OG1 3.41Å; D260-T262 PolarHBondContact OD2-OG1 2.85Å
261	G	92	Very high	96.6	Very high	40 Å²	40	52.8 Å²	52.8	41%	0.412	31%	0.305	S	S	.	.	S	Bend	trans	85.6	4.4	-170.9	0	0	0	0	0	114.4	Y231	Y231-G261 WeakPolarHBondContact CD2-O 3.01Å
262	T	96.8	Very high	96.6	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.08	30%	0.297	C	S	.	.			trans	-110	171.1	171.9	75	0	0	0	0	112.3	S229 F230 A258 D260	S229-T262 WeakPolarHBondContact CA-OG1 3.45Å; F230-T262 CarbonylContact O-C 3.54Å; F230-T262 WeakPolarHBondContact O-CA 3.41Å; A258-T262 WeakPolarHBondContact CB-O 3.43Å; A258-T262 PolarHBondContact N-O 2.97Å; D260-T262 WeakPolarHBondContact OD1-CA 3.37Å; D260-T262 WeakPolarHBondContact OD1-CB 3.49Å; D260-T262 PolarHBondContact OD1-N 3.06Å; D260-T262 PolarHBondContact OD1-OG1 3.41Å; D260-T262 PolarHBondContact OD2-OG1 2.85Å
263	F	98.1	Very high	96.3	Very high	25 Å²	25	48.6 Å²	48.6	11%	0.11	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	163.8	-175.3	-66.2	-85.5	0	0	0	112.8	D52 S229 F230 Y231 A233 T255 P257	D52-F263 HydrophobicContact CB-CE2 3.71Å; D52-F263 HydrophobicContact CB-CZ 3.73Å; S229-F263 PolarHBondContact N-O 2.84Å; F230-F263 WeakPolarHBondContact CD1-O 3.15Å; F230-F263 HydrophobicContact CD2-CB 3.87Å; F230-F263 HydrophobicContact CE1-CB 4.41Å; F230-F263 WeakPolarHBondContact CE1-O 3.18Å; F230-F263 HydrophobicContact CE2-CB 3.45Å; F230-F263 VanDerWaalsContact CE2-CB 3.45Å; F230-F263 HydrophobicContact CG-CB 4.48Å; F230-F263 HydrophobicContact CZ-CB 3.74Å; F230-F263 PolarHBondContact N-O 3.18Å; F230-F263 PolarHBondContact O-N 2.04Å; Y231-F263 HydrophobicContact CD2-CD2 4.44Å; Y231-F263 HydrophobicContact CD2-CE2 4.09Å; A233-F263 HydrophobicContact CB-CB 4.41Å; A233-F263 HydrophobicContact CB-CD1 3.64Å; A233-F263 HydrophobicContact CB-CD2 3.63Å; A233-F263 HydrophobicContact CB-CE1 3.75Å; A233-F263 HydrophobicContact CB-CE2 3.76Å; A233-F263 HydrophobicContact CB-CG 3.59Å; A233-F263 HydrophobicContact CB-CZ 3.83Å; T255-F263 HydrophobicContact CG2-CB 3.87Å; T255-F263 HydrophobicContact CG2-CD1 4.04Å; T255-F263 HydrophobicContact CG2-CG 4.26Å; P257-F263 HydrophobicContact CB-CD1 4.34Å; P257-F263 HydrophobicContact CB-CE1 4.05Å
264	Q	98.2	Very high	96	Very high	43 Å²	43	50.1 Å²	50.1	20%	0.201	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.4	178.9	40	161.4	-26.7	0	0	110.3	A227 L228 R256 P257 A258	A227-Q264 WeakPolarHBondContact O-CA 3.49Å; L228-Q264 HydrophobicContact CD2-CB 3.61Å; R256-Q264 HydrophobicContact CG-CG 3.68Å; R256-Q264 PolarHBondContact N-O 3.15Å; R256-Q264 VanDerWaalsContact NE-CD 3.27Å; R256-Q264 VanDerWaalsContact O-CG 3.25Å; R256-Q264 WeakPolarHBondContact O-CG 3.49Å; R256-Q264 PolarHBondContact O-N 3.37Å; P257-Q264 PolarHBondContact O-NE2 3.41Å; P257-Q264 VanDerWaalsContact O-NE2 3.15Å; A258-Q264 HydrophobicContact CB-CG 4.48Å
265	K	98.5	Very high	95.8	Very high	23 Å²	23	45 Å²	45	10%	0.1	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.7	177.3	-160.6	-177	-168.3	65.7	0	109.2	A227 F230 I235 L237 V253 T255	A227-K265 PolarHBondContact N-O 2.59Å; A227-K265 PolarHBondContact O-N 3.28Å; F230-K265 HydrophobicContact CE1-CB 4.38Å; F230-K265 HydrophobicContact CZ-CB 4.07Å; I235-K265 HydrophobicContact CG2-CB 4.27Å; I235-K265 HydrophobicContact CG2-CD 3.53Å; L237-K265 HydrophobicContact CD1-CD 4.34Å; L237-K265 HydrophobicContact CD2-CB 4.36Å; L237-K265 HydrophobicContact CD2-CG 4.42Å; V253-K265 HydrophobicContact CG2-CG 4.47Å; V253-K265 WeakPolarHBondContact O-CE 3.47Å; V253-K265 WeakPolarHBondContact O-CG 3.42Å; V253-K265 PolarHBondContact O-NZ 2.85Å; T255-K265 VanDerWaalsContact N-NZ 3.18Å; T255-K265 WeakPolarHBondContact OG1-CD 3.25Å; T255-K265 PolarHBondContact OG1-NZ 3Å
266	W	98.1	Very high	95.7	Very high	26 Å²	26	43.9 Å²	43.9	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.3	168.7	56	-101.2	0	0	0	111.9	R224 C225 W226 E251 V253 S268	R224-W266 HydrophobicContact CG-CB 4.04Å; R224-W266 HydrophobicContact CG-CD2 4.17Å; R224-W266 HydrophobicContact CG-CE3 3.99Å; R224-W266 HydrophobicContact CG-CG 4.26Å; C225-W266 CarbonylContact O-C 3.56Å; C225-W266 WeakPolarHBondContact O-CA 3.4Å; C225-W266 WeakPolarHBondContact O-CB 3.17Å; W226-W266 HydrophobicContact CD2-CB 3.96Å; W226-W266 HydrophobicContact CD2-CG 4.36Å; W226-W266 HydrophobicContact CE3-CB 3.95Å; W226-W266 AromaticContact CE3-CD1 3.68Å; W226-W266 HydrophobicContact CE3-CG 4.11Å; W226-W266 HydrophobicContact CG-CB 4.28Å; W226-W266 AromaticContact CH2-CD1 3.67Å; W226-W266 HydrophobicContact CH2-CG 4.35Å; W226-W266 AromaticContact CH2-NE1 3.93Å; W226-W266 HydrophobicContact CZ3-CB 4.46Å; W226-W266 AromaticContact CZ3-CD1 3.33Å; W226-W266 HydrophobicContact CZ3-CG 4.13Å; W226-W266 AromaticContact CZ3-NE1 3.97Å; E251-W266 HydrophobicContact CB-CZ3 4.35Å; E251-W266 VanDerWaalsContact CD-CZ3 3.42Å; E251-W266 HydrophobicContact CG-CH2 4.01Å; E251-W266 HydrophobicContact CG-CZ3 3.72Å; E251-W266 WeakPolarHBondContact OE2-CH2 3.43Å; E251-W266 WeakPolarHBondContact OE2-CZ3 3.43Å; V253-W266 HydrophobicContact CG1-CD2 4.03Å; V253-W266 HydrophobicContact CG1-CE3 4.14Å; V253-W266 HydrophobicContact CG1-CH2 3.51Å; V253-W266 HydrophobicContact CG1-CZ2 3.37Å; V253-W266 HydrophobicContact CG1-CZ3 3.86Å; V253-W266 HydrophobicContact CG2-CD2 3.73Å; V253-W266 HydrophobicContact CG2-CE3 4.3Å; V253-W266 HydrophobicContact CG2-CG 3.81Å; V253-W266 HydrophobicContact CG2-CZ2 4.44Å; V253-W266 WeakPolarHBondContact CG2-O 3.33Å; V253-W266 PolarHBondContact N-O 2.95Å; W266-S268 WeakPolarHBondContact CZ3-OG 3.29Å
267	A	98.1	Very high	95.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.5	173.2	0	0	0	0	0	109	R224 C225 L237 W239 T250 E251 L252	R224-A267 WeakPolarHBondContact CA-O 3.44Å; C225-A267 PolarHBondContact N-O 3.38Å; C225-A267 PolarHBondContact O-N 2.94Å; L237-A267 HydrophobicContact CB-CB 4.2Å; L237-A267 HydrophobicContact CD2-CB 4.37Å; W239-A267 PolarHBondContact NE1-O 2.94Å; T250-A267 HydrophobicContact CG2-CB 3.95Å; E251-A267 CarbonylContact O-C 3.52Å; E251-A267 WeakPolarHBondContact O-CA 3.49Å; L252-A267 HydrophobicContact CD1-CB 3.74Å
268	S	97.4	Very high	95.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	149.9	171.2	-5.6	0	0	0	0	112.6	L223 R224 T250 E251 W266	L223-S268 CarbonylContact O-C 3.58Å; L223-S268 WeakPolarHBondContact O-CA 3.33Å; L223-S268 WeakPolarHBondContact O-CB 3.47Å; R224-S268 VanDerWaalsContact CZ-OG 3.29Å; R224-S268 PolarHBondContact NE-OG 3.45Å; R224-S268 PolarHBondContact NH2-OG 2.99Å; T250-S268 CarbonylContact C-O 3.59Å; T250-S268 WeakPolarHBondContact CA-O 3.32Å; E251-S268 PolarHBondContact N-O 2.85Å; E251-S268 PolarHBondContact O-N 2.81Å; E251-S268 PolarHBondContact OE2-OG 2.86Å; W266-S268 WeakPolarHBondContact CZ3-OG 3.29Å
269	V	97.5	Very high	95.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.1	170	63.1	0	0	0	0	108.8	L223 W239 D249 V271 Y279	L223-V269 HydrophobicContact CB-CG1 4.43Å; L223-V269 PolarHBondContact N-O 2.67Å; L223-V269 PolarHBondContact O-N 2.73Å; W239-V269 HydrophobicContact CB-CG1 4.38Å; W239-V269 HydrophobicContact CD2-CB 4.37Å; W239-V269 HydrophobicContact CD2-CG1 3.52Å; W239-V269 HydrophobicContact CE3-CG1 3.86Å; W239-V269 HydrophobicContact CG-CB 4.12Å; W239-V269 HydrophobicContact CG-CG1 3.78Å; W239-V269 HydrophobicContact CH2-CG1 4.41Å; W239-V269 HydrophobicContact CZ2-CG1 4.13Å; W239-V269 HydrophobicContact CZ3-CG1 4.3Å; D249-V269 HydrophobicContact CB-CG2 4.43Å; V269-V271 HydrophobicContact CG1-CG1 3.85Å; V269-Y279 HydrophobicContact CG1-CD1 3.93Å; V269-Y279 HydrophobicContact CG1-CE1 4.32Å; V269-Y279 HydrophobicContact CG2-CD1 4.31Å; V269-Y279 HydrophobicContact CG2-CE1 3.92Å
270	V	96.8	Very high	95.6	Very high	73 Å²	73	39.5 Å²	39.5	44%	0.442	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.9	171.4	-177.6	0	0	0	0	108.3	E220	E220-V270 HydrophobicContact CB-CG1 4.1Å; E220-V270 HydrophobicContact CG-CG1 4.34Å
271	V	96.1	Very high	95.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.4	-176.8	-48.7	0	0	0	0	110.2	E220 A221 L223 V269 E276 Y279	E220-V271 WeakPolarHBondContact CA-O 3.38Å; A221-V271 HydrophobicContact CB-CG2 4.41Å; A221-V271 PolarHBondContact N-O 3.07Å; A221-V271 PolarHBondContact O-N 3.4Å; L223-V271 HydrophobicContact CD1-CG1 3.95Å; L223-V271 HydrophobicContact CD1-CG2 4.13Å; L223-V271 HydrophobicContact CG-CG1 4.08Å; L223-V271 HydrophobicContact CG-CG2 3.89Å; V269-V271 HydrophobicContact CG1-CG1 3.85Å; V271-E276 HydrophobicContact CG2-CG 3.94Å; V271-Y279 HydrophobicContact CB-CD2 3.98Å; V271-Y279 HydrophobicContact CB-CE2 3.68Å; V271-Y279 HydrophobicContact CG1-CD1 3.71Å; V271-Y279 HydrophobicContact CG1-CD2 3.61Å; V271-Y279 HydrophobicContact CG1-CE1 3.67Å; V271-Y279 HydrophobicContact CG1-CE2 3.59Å; V271-Y279 HydrophobicContact CG1-CG 3.66Å
272	P	95.4	Very high	96.1	Very high	49 Å²	49	34.9 Å²	34.9	32%	0.318	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.7	171.9	-19.3	32	0	0	0	111.4	H219 G274 Q275	H219-P272 CarbonylContact O-C 3.59Å; H219-P272 WeakPolarHBondContact O-CA 3.3Å; P272-G274 PolarHBondContact O-N 2.75Å; P272-Q275 HydrophobicContact CB-CB 4.44Å; P272-Q275 HydrophobicContact CB-CG 4.16Å; P272-Q275 WeakPolarHBondContact O-CB 3.47Å; P272-Q275 PolarHBondContact O-N 2.75Å
273	S	91.2	Very high	96.2	Very high	56 Å²	56	34.3 Å²	34.3	39%	0.392	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	130.1	177.1	-61.1	0	0	0	0	111.9	D218 H219 E220 Q275	D218-S273 PolarHBondContact O-OG 2.94Å; H219-S273 WeakPolarHBondContact CA-OG 3.4Å; H219-S273 PolarHBondContact O-N 2.98Å; H219-S273 PolarHBondContact O-OG 2.9Å; E220-S273 PolarHBondContact N-OG 3.16Å; S273-Q275 VanDerWaalsContact C-N 3.31Å
274	G	89.9	Confident	96.1	Very high	67 Å²	67	35.7 Å²	35.7	69%	0.691	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	2.6	-178.1	0	0	0	0	0	115	P272 E276	P272-G274 PolarHBondContact O-N 2.75Å; G274-E276 WeakPolarHBondContact CA-OE2 3.42Å; G274-E276 VanDerWaalsContact N-CD 3.34Å; G274-E276 PolarHBondContact N-OE1 3.28Å; G274-E276 PolarHBondContact N-OE2 2.71Å
275	Q	94.1	Very high	96	Very high	66 Å²	66	34.1 Å²	34.1	31%	0.308	19%	0.187	S	C	.	.			trans	-106.8	4.1	176.2	-58.5	-163.7	47.7	0	0	113.7	P272 S273 Q277 R278 Y279	P272-Q275 HydrophobicContact CB-CB 4.44Å; P272-Q275 HydrophobicContact CB-CG 4.16Å; P272-Q275 WeakPolarHBondContact O-CB 3.47Å; P272-Q275 PolarHBondContact O-N 2.75Å; S273-Q275 VanDerWaalsContact C-N 3.31Å; Q275-Q277 PolarHBondContact O-N 2.7Å; Q275-Q277 VanDerWaalsContact O-N 3.1Å; Q275-R278 VanDerWaalsContact O-CB 3.32Å; Q275-R278 WeakPolarHBondContact O-CB 3.32Å; Q275-R278 PolarHBondContact O-N 3.39Å; Q275-Y279 WeakPolarHBondContact O-CD2 3.49Å
276	E	93.9	Very high	95.7	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.093	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-55.3	-35.3	-173.1	-53.7	77.3	-167.5	0	0	112.3	L223 V271 G274 R278 Y279 W296	L223-E276 HydrophobicContact CD1-CB 4.07Å; L223-E276 HydrophobicContact CD2-CB 4.42Å; L223-E276 HydrophobicContact CD2-CG 4.25Å; V271-E276 HydrophobicContact CG2-CG 3.94Å; G274-E276 WeakPolarHBondContact CA-OE2 3.42Å; G274-E276 VanDerWaalsContact N-CD 3.34Å; G274-E276 PolarHBondContact N-OE1 3.28Å; G274-E276 PolarHBondContact N-OE2 2.71Å; E276-R278 PolarHBondContact O-N 3.39Å; E276-Y279 PolarHBondContact O-N 3.23Å; E276-W296 HydrophobicContact CB-CD2 4.33Å; E276-W296 HydrophobicContact CB-CE3 3.41Å; E276-W296 VanDerWaalsContact CB-CE3 3.41Å; E276-W296 HydrophobicContact CB-CZ3 3.84Å; E276-W296 HydrophobicContact CG-CE3 3.67Å; E276-W296 HydrophobicContact CG-CZ3 3.68Å
277	Q	93.5	Very high	95.4	Very high	94 Å²	94	36.1 Å²	36.1	44%	0.439	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-68.2	-17.6	-179.9	-61.6	-56.4	-40.8	0	0	114.4	Q275 Y279 W296	Q275-Q277 PolarHBondContact O-N 2.7Å; Q275-Q277 VanDerWaalsContact O-N 3.1Å; Q277-Y279 VanDerWaalsContact C-N 3.28Å; Q277-W296 PolarHBondContact NE2-O 3.29Å
278	R	95.6	Very high	95.3	Very high	108 Å²	108	37.2 Å²	37.2	41%	0.408	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-75.1	-21	172.5	-61.2	176.2	68.7	179.9	5	112	R241 D242 Q275 E276	R241-R278 WeakPolarHBondContact CA-O 3.47Å; R241-R278 HydrophobicContact CG-CB 4.26Å; D242-R278 PolarHBondContact N-O 3.17Å; D242-R278 WeakPolarHBondContact OD1-CB 3.44Å; D242-R278 IonicContact OD1-NE 2.81Å; D242-R278 PolarHBondContact OD1-NE 3.12Å; D242-R278 IonicContact OD2-CZ 3.94Å; D242-R278 IonicContact OD2-NE 2.65Å; D242-R278 PolarHBondContact OD2-NE 2.86Å; D242-R278 IonicContact OD2-NH2 3.12Å; D242-R278 PolarHBondContact OD2-NH2 3.35Å; Q275-R278 VanDerWaalsContact O-CB 3.32Å; Q275-R278 WeakPolarHBondContact O-CB 3.32Å; Q275-R278 PolarHBondContact O-N 3.39Å; E276-R278 PolarHBondContact O-N 3.39Å
279	Y	96.8	Very high	95.1	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.1	-176.6	-69	-102.7	0	0	0	111.2	Q240 R241 Q246 V269 V271 Q275 E276 Q277	Q240-Y279 CarbonylContact O-C 3.51Å; Q240-Y279 WeakPolarHBondContact O-CA 3.31Å; R241-Y279 HydrophobicContact CB-CD1 4.1Å; R241-Y279 HydrophobicContact CB-CE1 3.96Å; R241-Y279 HydrophobicContact CG-CD2 4.38Å; R241-Y279 HydrophobicContact CG-CE1 4.21Å; R241-Y279 HydrophobicContact CG-CE2 4.05Å; Q246-Y279 HydrophobicContact CG-CE1 4.33Å; V269-Y279 HydrophobicContact CG1-CD1 3.93Å; V269-Y279 HydrophobicContact CG1-CE1 4.32Å; V269-Y279 HydrophobicContact CG2-CD1 4.31Å; V269-Y279 HydrophobicContact CG2-CE1 3.92Å; V271-Y279 HydrophobicContact CB-CD2 3.98Å; V271-Y279 HydrophobicContact CB-CE2 3.68Å; V271-Y279 HydrophobicContact CG1-CD1 3.71Å; V271-Y279 HydrophobicContact CG1-CD2 3.61Å; V271-Y279 HydrophobicContact CG1-CE1 3.67Å; V271-Y279 HydrophobicContact CG1-CE2 3.59Å; V271-Y279 HydrophobicContact CG1-CG 3.66Å; Q275-Y279 WeakPolarHBondContact O-CD2 3.49Å; E276-Y279 PolarHBondContact O-N 3.23Å; Q277-Y279 VanDerWaalsContact C-N 3.28Å
280	T	97.6	Very high	94.8	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.7	178.5	38.3	0	0	0	0	109.6	W239 Q240 H282 T293 L294 R295	W239-T280 WeakPolarHBondContact CA-O 3.4Å; W239-T280 VanDerWaalsContact CE3-C 3.43Å; Q240-T280 PolarHBondContact N-O 3.04Å; Q240-T280 PolarHBondContact O-N 2.97Å; Q240-T280 PolarHBondContact O-OG1 3.11Å; T280-H282 PolarHBondContact OG1-NE2 3.44Å; T280-T293 HydrophobicContact CG2-CG2 3.81Å; T280-L294 WeakPolarHBondContact CA-O 3.37Å; T280-R295 HydrophobicContact CG2-CG 3.6Å
281	C	97.8	Very high	94.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.2	167.2	175.2	0	0	0	0	109	M211 C225 T238 W239 T293 L294	M211-C281 HydrophobicContact CE-CB 3.42Å; M211-C281 VanDerWaalsContact CE-CB 3.42Å; C225-C281 HydrophobicContact CB-CB 3.48Å; C225-C281 VanDerWaalsContact CB-CB 3.48Å; C225-C281 WeakPolarHBondContact CB-SG 3.31Å; C225-C281 WeakPolarHBondContact SG-CB 3.22Å; C225-C281 CovalentContact SG-SG 2.03Å; C225-C281 PolarHBondContact SG-SG 3.13Å; T238-C281 CarbonylContact O-C 3.55Å; T238-C281 WeakPolarHBondContact O-CA 3.34Å; W239-C281 HydrophobicContact CD2-CB 4.15Å; W239-C281 HydrophobicContact CE3-CB 4.11Å; W239-C281 HydrophobicContact CH2-CB 4.19Å; W239-C281 HydrophobicContact CZ2-CB 4.21Å; W239-C281 HydrophobicContact CZ3-CB 4.12Å; C281-T293 WeakPolarHBondContact O-CA 3.23Å; C281-L294 HydrophobicContact CB-CB 4.34Å; C281-L294 PolarHBondContact N-O 2.99Å; C281-L294 PolarHBondContact O-N 2.82Å
282	H	97.5	Very high	94.7	Very high	47 Å²	47	54 Å²	54	22%	0.218	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.4	174.3	-60.7	-96	0	0	0	109.6	L237 T238 Q240 T280 L292 T293	L237-H282 WeakPolarHBondContact CA-O 3.45Å; T238-H282 PolarHBondContact N-O 2.95Å; T238-H282 PolarHBondContact O-N 2.85Å; Q240-H282 WeakPolarHBondContact CB-NE2 3.47Å; Q240-H282 WeakPolarHBondContact CG-NE2 3.35Å; Q240-H282 PolarHBondContact OE1-NE2 3.04Å; T280-H282 PolarHBondContact OG1-NE2 3.44Å; H282-L292 CarbonylContact C-O 3.55Å; H282-L292 VanDerWaalsContact CA-O 3.32Å; H282-L292 WeakPolarHBondContact CA-O 3.4Å; H282-T293 WeakPolarHBondContact CE1-CG2 3.25Å; H282-T293 PolarHBondContact CE1-OG1 3.44Å; H282-T293 PolarHBondContact ND1-OG1 3Å
283	V	97.8	Very high	94.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.9	-177.5	-175.8	0	0	0	0	109.1	P207 T209 I235 T236 L237 L288 P291 L292 L294	P207-V283 HydrophobicContact CG-CG1 4.03Å; T209-V283 HydrophobicContact CG2-CB 4.39Å; T209-V283 HydrophobicContact CG2-CG1 4.15Å; T209-V283 HydrophobicContact CG2-CG2 4.03Å; I235-V283 HydrophobicContact CD1-CG1 4.13Å; I235-V283 HydrophobicContact CG1-CG1 4.45Å; T236-V283 WeakPolarHBondContact O-CA 3.32Å; L237-V283 HydrophobicContact CD1-CG1 3.99Å; L237-V283 HydrophobicContact CD1-CG2 4.39Å; L237-V283 HydrophobicContact CG-CG2 4.27Å; V283-L288 HydrophobicContact CB-CD1 4.49Å; V283-L288 HydrophobicContact CG1-CD1 4.05Å; V283-P291 WeakPolarHBondContact O-CA 3.26Å; V283-L292 HydrophobicContact CB-CB 4.38Å; V283-L292 PolarHBondContact N-O 3.4Å; V283-L292 PolarHBondContact O-N 2.84Å; V283-L294 HydrophobicContact CG2-CD1 3.97Å
284	Q	97.1	Very high	95	Very high	54 Å²	54	54.6 Å²	54.6	25%	0.252	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.1	175.4	-43.6	-173.5	25.5	0	0	109.2	I235 T236 P291	I235-Q284 WeakPolarHBondContact CG1-O 3.28Å; T236-Q284 PolarHBondContact N-O 3.44Å; T236-Q284 PolarHBondContact O-N 2.88Å; Q284-P291 HydrophobicContact CG-CB 4.13Å; Q284-P291 HydrophobicContact CG-CG 4.16Å
285	H	95.6	Very high	95.2	Very high	11 Å²	11	58.8 Å²	58.8	5%	0.051	29%	0.292	C	S	.	.			trans	-156.9	149.9	-177	-175.5	-103.8	0	0	0	108.7	D205 P207 F230 Y231 P232 E234 I235 G287 L288	D205-H285 PolarHBondContact O-CE1 3.13Å; P207-H285 WeakPolarHBondContact CD-ND1 3.46Å; P207-H285 HydrophobicContact CG-CB 4.06Å; F230-H285 AromaticContact CD2-CD2 4Å; F230-H285 AromaticContact CD2-NE2 3.8Å; Y231-H285 PolarHBondContact O-CE1 3.15Å; Y231-H285 VanDerWaalsContact O-CE1 3.23Å; P232-H285 PolarHBondContact O-NE2 3.18Å; E234-H285 PolarHBondContact O-CD2 2.83Å; I235-H285 HydrophobicContact CD1-CB 4.2Å; I235-H285 HydrophobicContact CG1-CB 4.02Å; H285-G287 VanDerWaalsContact C-N 3.3Å; H285-G287 PolarHBondContact ND1-N 3.39Å; H285-G287 PolarHBondContact O-N 3.26Å; H285-L288 HydrophobicContact CB-CD1 3.98Å; H285-L288 HydrophobicContact CB-CG 4.11Å; H285-L288 WeakPolarHBondContact O-CB 3.46Å; H285-L288 PolarHBondContact O-N 2.69Å
286	E	92.3	Very high	95.1	Very high	72 Å²	72	57.8 Å²	57.8	34%	0.336	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.4	-177.5	-165.5	-172	178.8	0	0	113	A22 T204 L288	A22-E286 WeakPolarHBondContact CA-OE1 3.35Å; T204-E286 HydrophobicContact CG2-CB 4.13Å; T204-E286 HydrophobicContact CG2-CG 3.94Å; E286-L288 PolarHBondContact O-N 3.47Å
287	G	92.5	Very high	94.7	Very high	18 Å²	18	64.8 Å²	64.8	19%	0.186	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.4	175.9	0	0	0	0	0	114.6	A206 H285	A206-G287 WeakPolarHBondContact CB-O 3.35Å; H285-G287 VanDerWaalsContact C-N 3.3Å; H285-G287 PolarHBondContact ND1-N 3.39Å; H285-G287 PolarHBondContact O-N 3.26Å
288	L	94.8	Very high	94	Very high	24 Å²	24	64 Å²	64	13%	0.126	32%	0.321	C	S	.	.			trans	-98.5	118.3	177	-65	174.3	0	0	0	110.7	A206 P207 V283 H285 E286 K290 L292	A206-L288 HydrophobicContact CB-CD2 4.18Å; P207-L288 HydrophobicContact CG-CD1 3.84Å; P207-L288 HydrophobicContact CG-CD2 4.2Å; P207-L288 HydrophobicContact CG-CG 4.05Å; V283-L288 HydrophobicContact CB-CD1 4.49Å; V283-L288 HydrophobicContact CG1-CD1 4.05Å; H285-L288 HydrophobicContact CB-CD1 3.98Å; H285-L288 HydrophobicContact CB-CG 4.11Å; H285-L288 WeakPolarHBondContact O-CB 3.46Å; H285-L288 PolarHBondContact O-N 2.69Å; E286-L288 PolarHBondContact O-N 3.47Å; L288-K290 WeakPolarHBondContact CB-O 3.47Å; L288-K290 PolarHBondContact O-N 2.74Å; L288-L292 HydrophobicContact CD1-CD1 4.04Å; L288-L292 HydrophobicContact CD1-CG 3.96Å; L288-L292 HydrophobicContact CD2-CD1 3.66Å; L288-L292 HydrophobicContact CD2-CG 3.92Å
289	P	92.4	Very high	92.3	Very high	133 Å²	133	63.7 Å²	63.7	86%	0.864	34%	0.336	S	S	*	.	S	Bend	trans	-66.3	-15	179.7	28.1	-35.8	0	0	0	113.3
290	K	92.9	Very high	90	Very high	166 Å²	166	68.7 Å²	68.7	72%	0.722	37%	0.373	S	S	*	.	S	Bend	trans	-151.5	148.8	167.8	-61.7	-174	-178	176.7	0	108.5	L288 L292	L288-K290 WeakPolarHBondContact CB-O 3.47Å; L288-K290 PolarHBondContact O-N 2.74Å; K290-L292 PolarHBondContact O-N 2.86Å
291	P	95	Very high	87.5	Confident	72 Å²	72	76.1 Å²	76.1	47%	0.468	41%	0.407	S	S	.	.			trans	-48.6	137.9	169.1	-30.5	37.5	0	0	0	112.8	V283 Q284	V283-P291 WeakPolarHBondContact O-CA 3.26Å; Q284-P291 HydrophobicContact CG-CB 4.13Å; Q284-P291 HydrophobicContact CG-CG 4.16Å
292	L	96.1	Very high	84.9	Confident	60 Å²	60	81.4 Å²	81.4	31%	0.314	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.3	173.4	-65.5	175.8	0	0	0	109.7	T209 H282 V283 L288 K290	T209-L292 HydrophobicContact CG2-CD1 4.14Å; H282-L292 CarbonylContact C-O 3.55Å; H282-L292 VanDerWaalsContact CA-O 3.32Å; H282-L292 WeakPolarHBondContact CA-O 3.4Å; V283-L292 HydrophobicContact CB-CB 4.38Å; V283-L292 PolarHBondContact N-O 3.4Å; V283-L292 PolarHBondContact O-N 2.84Å; L288-L292 HydrophobicContact CD1-CD1 4.04Å; L288-L292 HydrophobicContact CD1-CG 3.96Å; L288-L292 HydrophobicContact CD2-CD1 3.66Å; L288-L292 HydrophobicContact CD2-CG 3.92Å; K290-L292 PolarHBondContact O-N 2.86Å
293	T	96.8	Very high	82.6	Confident	79 Å²	79	85.6 Å²	85.6	49%	0.485	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.6	167.5	-55.3	0	0	0	0	108.6	T280 C281 H282	T280-T293 HydrophobicContact CG2-CG2 3.81Å; C281-T293 WeakPolarHBondContact O-CA 3.23Å; H282-T293 WeakPolarHBondContact CE1-CG2 3.25Å; H282-T293 PolarHBondContact CE1-OG1 3.44Å; H282-T293 PolarHBondContact ND1-OG1 3Å
294	L	95.5	Very high	80.5	Confident	37 Å²	37	90.7 Å²	90.7	19%	0.194	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.9	-174.2	-61.1	161.1	0	0	0	109.6	T209 M211 T280 C281 V283	T209-L294 HydrophobicContact CG2-CD1 4.05Å; M211-L294 HydrophobicContact CE-CB 3.76Å; M211-L294 VanDerWaalsContact CE-O 3.25Å; M211-L294 WeakPolarHBondContact CE-O 3.48Å; T280-L294 WeakPolarHBondContact CA-O 3.37Å; C281-L294 HydrophobicContact CB-CB 4.34Å; C281-L294 PolarHBondContact N-O 2.99Å; C281-L294 PolarHBondContact O-N 2.82Å; V283-L294 HydrophobicContact CG2-CD1 3.97Å
295	R	94	Very high	78.5	Confident	155 Å²	155	92.4 Å²	92.4	59%	0.585	51%	0.512	S	S	*	.			trans	-118.3	159.7	167	-73.8	-172.6	173.2	140.7	2.8	109.5	T280 E297	T280-R295 HydrophobicContact CG2-CG 3.6Å; R295-E297 PolarHBondContact O-N 2.89Å
296	W	92.3	Very high	76.9	Confident	45 Å²	45	97.3 Å²	97.3	17%	0.17	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-76.1	119.1	172.1	172.1	65.1	0	0	0	109.7	M211 H213 L223 E276 Q277 P298	M211-W296 VanDerWaalsContact SD-CA 3.59Å; M211-W296 HydrophobicContact SD-CB 3.84Å; M211-W296 PolarHBondContact SD-N 3.45Å; H213-W296 HydrophobicContact CB-CD2 4.41Å; H213-W296 HydrophobicContact CB-CG 4.46Å; H213-W296 HydrophobicContact CB-CZ2 4.09Å; H213-W296 VanDerWaalsContact CB-NE1 3.33Å; H213-W296 AromaticContact CD2-CE2 3.9Å; H213-W296 AromaticContact CD2-CH2 4Å; H213-W296 AromaticContact CD2-CZ2 3.74Å; H213-W296 AromaticContact CG-CE2 3.88Å; H213-W296 AromaticContact CG-CZ2 3.81Å; L223-W296 HydrophobicContact CD1-CB 4.36Å; L223-W296 HydrophobicContact CD2-CB 3.95Å; L223-W296 HydrophobicContact CD2-CD2 4.31Å; L223-W296 HydrophobicContact CD2-CG 3.92Å; E276-W296 HydrophobicContact CB-CD2 4.33Å; E276-W296 HydrophobicContact CB-CE3 3.41Å; E276-W296 VanDerWaalsContact CB-CE3 3.41Å; E276-W296 HydrophobicContact CB-CZ3 3.84Å; E276-W296 HydrophobicContact CG-CE3 3.67Å; E276-W296 HydrophobicContact CG-CZ3 3.68Å; Q277-W296 PolarHBondContact NE2-O 3.29Å; W296-P298 HydrophobicContact CE3-CG 4.24Å; W296-P298 HydrophobicContact CH2-CB 4.08Å; W296-P298 HydrophobicContact CH2-CG 3.79Å; W296-P298 HydrophobicContact CZ2-CB 4.06Å; W296-P298 HydrophobicContact CZ2-CG 4.12Å; W296-P298 HydrophobicContact CZ3-CG 3.83Å
297	E	84.6	Confident	75.4	Confident	167 Å²	167	99.7 Å²	99.7	78%	0.78	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-96.8	124.5	167.4	-65.9	-172.2	163.9	0	0	108.8	R295 S299	R295-E297 PolarHBondContact O-N 2.89Å; E297-S299 PolarHBondContact O-N 3.36Å
298	P	78.1	Confident	74.1	Confident	77 Å²	77	100.8 Å²	100.8	50%	0.5	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-57.9	127.5	170.9	-20.8	31.1	0	0	0	109.5	W296 S300	W296-P298 HydrophobicContact CE3-CG 4.24Å; W296-P298 HydrophobicContact CH2-CB 4.08Å; W296-P298 HydrophobicContact CH2-CG 3.79Å; W296-P298 HydrophobicContact CZ2-CB 4.06Å; W296-P298 HydrophobicContact CZ2-CG 4.12Å; W296-P298 HydrophobicContact CZ3-CG 3.83Å; P298-S300 PolarHBondContact O-N 3.36Å
299	S	61.3	Low	72.9	Confident	103 Å²	103	103.9 Å²	103.9	72%	0.72	58%	0.584	S	S	*	*			trans	-65.5	108.3	-176.1	47.8	0	0	0	0	110.7	E297 Q301	E297-S299 PolarHBondContact O-N 3.36Å; S299-Q301 PolarHBondContact O-N 2.79Å
300	S	47.3	Very low	72	Confident	115 Å²	115	102 Å²	102	80%	0.804	57%	0.566	S	S	*	*			trans	-74.3	57.7	175.3	51.5	0	0	0	0	111.4	P298 P302	P298-S300 PolarHBondContact O-N 3.36Å; S300-P302 VanDerWaalsContact O-CD 3.25Å; S300-P302 WeakPolarHBondContact O-CD 3.49Å; S300-P302 VanDerWaalsContact O-N 3.08Å
301	Q	45.9	Very low	71	Confident	164 Å²	164	96.4 Å²	96.4	77%	0.766	55%	0.55	S	S	*	*			trans	-54.4	116.9	158.9	-75.9	-166.3	-13.6	0	0	106.9	S299 T303	S299-Q301 PolarHBondContact O-N 2.79Å; Q301-T303 PolarHBondContact O-N 3.21Å
302	P	42.5	Very low	70.2	Confident	110 Å²	110	94.8 Å²	94.8	71%	0.714	55%	0.546	S	S	*	.			trans	-64.6	114.8	177.4	26.1	-32.1	0	0	0	106.8	S300 I304	S300-P302 VanDerWaalsContact O-CD 3.25Å; S300-P302 WeakPolarHBondContact O-CD 3.49Å; S300-P302 VanDerWaalsContact O-N 3.08Å; P302-I304 PolarHBondContact O-N 3.47Å
303	T	49.8	Very low	69.6	Low	136 Å²	136	97.6 Å²	97.6	83%	0.834	56%	0.561	S	S	*	*			trans	-63.9	88.7	173.1	-46.7	0	0	0	0	107.7	Q301 P305	Q301-T303 PolarHBondContact O-N 3.21Å; T303-P305 WeakPolarHBondContact O-CD 3.24Å
304	I	54.5	Low	68.8	Low	107 Å²	107	98.4 Å²	98.4	55%	0.549	57%	0.566	S	S	.	*			trans	-50.1	121	176.3	-63.8	175.7	0	0	0	105.5	P302 I306 I309	P302-I304 PolarHBondContact O-N 3.47Å; I304-I306 PolarHBondContact O-N 3.38Å; I304-I309 HydrophobicContact CG2-CD1 3.61Å
305	P	55.4	Low	68	Low	89 Å²	89	102.7 Å²	102.7	58%	0.578	59%	0.588	S	S	*	*			trans	-75.6	77.3	-171.9	29.2	-34.7	0	0	0	109.1	T303 V307 G308 I309	T303-P305 WeakPolarHBondContact O-CD 3.24Å; P305-V307 PolarHBondContact O-N 3.39Å; P305-G308 WeakPolarHBondContact O-CA 3.44Å; P305-G308 PolarHBondContact O-N 3.15Å; P305-I309 PolarHBondContact O-N 3.38Å
306	I	60.6	Low	67.2	Low	114 Å²	114	101.2 Å²	101.2	59%	0.585	59%	0.586	S	S	*	*	H	α-helix	trans	-53.6	-38.5	-179.9	-70.1	162.5	0	0	0	109.7	I304 G308 I309 I310	I304-I306 PolarHBondContact O-N 3.38Å; I306-G308 PolarHBondContact O-N 3.35Å; I306-I309 PolarHBondContact O-N 2.98Å; I306-I310 HydrophobicContact CG2-CD1 3.65Å; I306-I310 HydrophobicContact CG2-CG1 4.33Å; I306-I310 WeakPolarHBondContact O-CB 3.43Å; I306-I310 VanDerWaalsContact O-CG1 3.23Å; I306-I310 WeakPolarHBondContact O-CG1 3.26Å; I306-I310 PolarHBondContact O-N 3.06Å
307	V	60.4	Low	66.6	Low	122 Å²	122	101 Å²	101	74%	0.739	60%	0.598	S	S	*	*	H	α-helix	trans	-59	-42.8	172.6	-176.9	0	0	0	0	112.2	P305 A311	P305-V307 PolarHBondContact O-N 3.39Å; V307-A311 VanDerWaalsContact O-CB 3.28Å; V307-A311 WeakPolarHBondContact O-CB 3.34Å; V307-A311 PolarHBondContact O-N 3.01Å
308	G	65	Low	66.2	Low	42 Å²	42	96 Å²	96	43%	0.433	59%	0.586	S	S	.	*	H	α-helix	trans	-69.4	-38.6	177.3	0	0	0	0	0	113	P305 I306 G312	P305-G308 WeakPolarHBondContact O-CA 3.44Å; P305-G308 PolarHBondContact O-N 3.15Å; I306-G308 PolarHBondContact O-N 3.35Å; G308-G312 PolarHBondContact O-N 3.46Å
309	I	71.1	Confident	66.3	Low	88 Å²	88	98 Å²	98	45%	0.451	59%	0.589	S	S	.	*	H	α-helix	trans	-65.9	-45	174.6	-62.9	173.7	0	0	0	110.4	I304 P305 I306 G312 L313	I304-I309 HydrophobicContact CG2-CD1 3.61Å; P305-I309 PolarHBondContact O-N 3.38Å; I306-I309 PolarHBondContact O-N 2.98Å; I309-G312 PolarHBondContact O-N 3.3Å; I309-L313 HydrophobicContact CG2-CD1 3.97Å; I309-L313 HydrophobicContact CG2-CG 4.49Å; I309-L313 WeakPolarHBondContact O-CB 3.14Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.27Å
310	I	72.3	Confident	67	Low	95 Å²	95	99.4 Å²	99.4	49%	0.487	58%	0.583	S	S	.	*	H	α-helix	trans	-62.4	-47.3	176.1	-70.2	168.7	0	0	0	110.7	I306 G312 L313 V314	I306-I310 HydrophobicContact CG2-CD1 3.65Å; I306-I310 HydrophobicContact CG2-CG1 4.33Å; I306-I310 WeakPolarHBondContact O-CB 3.43Å; I306-I310 VanDerWaalsContact O-CG1 3.23Å; I306-I310 WeakPolarHBondContact O-CG1 3.26Å; I306-I310 PolarHBondContact O-N 3.06Å; I310-G312 VanDerWaalsContact C-N 3.33Å; I310-G312 PolarHBondContact O-N 3.38Å; I310-L313 PolarHBondContact O-N 2.72Å; I310-V314 HydrophobicContact CG2-CG2 4.35Å; I310-V314 WeakPolarHBondContact O-CB 3.46Å; I310-V314 VanDerWaalsContact O-CG2 3.31Å; I310-V314 WeakPolarHBondContact O-CG2 3.48Å; I310-V314 PolarHBondContact O-N 3.44Å
311	A	73.6	Confident	68.3	Low	48 Å²	48	96.6 Å²	96.6	40%	0.397	57%	0.567	S	S	.	*	H	α-helix	trans	-59.9	-43	177	0	0	0	0	0	111.9	V307 V314 L315	V307-A311 VanDerWaalsContact O-CB 3.28Å; V307-A311 WeakPolarHBondContact O-CB 3.34Å; V307-A311 PolarHBondContact O-N 3.01Å; A311-V314 PolarHBondContact O-N 2.89Å; A311-L315 WeakPolarHBondContact O-CB 3.41Å; A311-L315 VanDerWaalsContact O-CG 3.31Å; A311-L315 WeakPolarHBondContact O-CG 3.46Å; A311-L315 PolarHBondContact O-N 2.78Å
312	G	78.1	Confident	69.7	Low	37 Å²	37	90.8 Å²	90.8	38%	0.381	55%	0.551	S	S	.	*	H	α-helix	trans	-59.3	-48.8	174	0	0	0	0	0	112.7	G308 I309 I310 V314 L315 F316	G308-G312 PolarHBondContact O-N 3.46Å; I309-G312 PolarHBondContact O-N 3.3Å; I310-G312 VanDerWaalsContact C-N 3.33Å; I310-G312 PolarHBondContact O-N 3.38Å; G312-V314 PolarHBondContact O-N 3.19Å; G312-L315 PolarHBondContact O-N 3.26Å; G312-F316 WeakPolarHBondContact O-CB 3.15Å; G312-F316 PolarHBondContact O-N 3.19Å
313	L	82.3	Confident	71.3	Confident	119 Å²	119	88.3 Å²	88.3	62%	0.623	54%	0.54	S	S	*	.	H	α-helix	trans	-63.5	-40.3	178.4	-73.2	169.6	0	0	0	112.7	I309 I310 F316 G317	I309-L313 HydrophobicContact CG2-CD1 3.97Å; I309-L313 HydrophobicContact CG2-CG 4.49Å; I309-L313 WeakPolarHBondContact O-CB 3.14Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.27Å; I310-L313 PolarHBondContact O-N 2.72Å; L313-F316 PolarHBondContact O-N 3.15Å; L313-G317 PolarHBondContact O-N 3.13Å
314	V	80.7	Confident	72.6	Confident	97 Å²	97	85.8 Å²	85.8	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-64.3	-45.1	176.4	169.4	0	0	0	0	111	I310 A311 G312 G317 A318	I310-V314 HydrophobicContact CG2-CG2 4.35Å; I310-V314 WeakPolarHBondContact O-CB 3.46Å; I310-V314 VanDerWaalsContact O-CG2 3.31Å; I310-V314 WeakPolarHBondContact O-CG2 3.48Å; I310-V314 PolarHBondContact O-N 3.44Å; A311-V314 PolarHBondContact O-N 2.89Å; G312-V314 PolarHBondContact O-N 3.19Å; V314-G317 PolarHBondContact O-N 2.72Å; V314-A318 WeakPolarHBondContact O-CB 3.44Å; V314-A318 PolarHBondContact O-N 3.18Å
315	L	79.1	Confident	73.6	Confident	126 Å²	126	85.4 Å²	85.4	66%	0.66	53%	0.527	S	S	*	.	H	α-helix	trans	-63.6	-42.9	176	-72.5	169.1	0	0	0	111.9	A311 G312 A318 M319	A311-L315 WeakPolarHBondContact O-CB 3.41Å; A311-L315 VanDerWaalsContact O-CG 3.31Å; A311-L315 WeakPolarHBondContact O-CG 3.46Å; A311-L315 PolarHBondContact O-N 2.78Å; G312-L315 PolarHBondContact O-N 3.26Å; L315-A318 PolarHBondContact O-N 2.82Å; L315-M319 WeakPolarHBondContact O-CB 3.39Å; L315-M319 PolarHBondContact O-N 3.07Å
316	F	77.3	Confident	74.4	Confident	124 Å²	124	84 Å²	84	54%	0.544	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-42.3	178.8	-144	-89.5	0	0	0	111.7	G312 L313 M319 F320	G312-F316 WeakPolarHBondContact O-CB 3.15Å; G312-F316 PolarHBondContact O-N 3.19Å; L313-F316 PolarHBondContact O-N 3.15Å; F316-M319 HydrophobicContact CD2-CE 3.93Å; F316-M319 HydrophobicContact CE2-CE 4.08Å; F316-M319 HydrophobicContact CG-CE 4.39Å; F316-M319 PolarHBondContact O-N 2.59Å; F316-F320 HydrophobicContact CD1-CD2 4.14Å; F316-F320 AromaticContact CE1-CD2 3.99Å; F316-F320 HydrophobicContact CE1-CD2 3.99Å; F316-F320 AromaticContact CE1-CE2 4Å; F316-F320 HydrophobicContact CE1-CE2 4Å; F316-F320 PolarHBondContact O-N 2.82Å
317	G	78.3	Confident	74.9	Confident	42 Å²	42	81 Å²	81	43%	0.433	52%	0.515	S	S	.	.	H	α-helix	trans	-63.8	-43.5	175	0	0	0	0	0	113	L313 V314 F320 A321	L313-G317 PolarHBondContact O-N 3.13Å; V314-G317 PolarHBondContact O-N 2.72Å; G317-F320 PolarHBondContact O-N 3.23Å; G317-A321 WeakPolarHBondContact O-CB 3.47Å; G317-A321 PolarHBondContact O-N 3.16Å
318	A	78	Confident	75.5	Confident	62 Å²	62	79.2 Å²	79.2	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-41.7	175.4	0	0	0	0	0	112.1	V314 L315 A321 G322	V314-A318 WeakPolarHBondContact O-CB 3.44Å; V314-A318 PolarHBondContact O-N 3.18Å; L315-A318 PolarHBondContact O-N 2.82Å; A318-A321 PolarHBondContact O-N 2.86Å; A318-G322 PolarHBondContact O-N 3.15Å
319	M	78.9	Confident	75.8	Confident	117 Å²	117	86.9 Å²	86.9	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-64.1	-43.2	175.4	179.9	165.6	53.1	0	0	112	L315 F316 G322 A323	L315-M319 WeakPolarHBondContact O-CB 3.39Å; L315-M319 PolarHBondContact O-N 3.07Å; F316-M319 HydrophobicContact CD2-CE 3.93Å; F316-M319 HydrophobicContact CE2-CE 4.08Å; F316-M319 HydrophobicContact CG-CE 4.39Å; F316-M319 PolarHBondContact O-N 2.59Å; M319-G322 PolarHBondContact O-N 2.76Å; M319-A323 WeakPolarHBondContact O-CB 3.49Å; M319-A323 PolarHBondContact O-N 3.26Å
320	F	75.9	Confident	75.7	Confident	133 Å²	133	92.2 Å²	92.2	58%	0.583	53%	0.534	S	S	*	.	H	α-helix	trans	-63.8	-44.5	175.1	-119.2	-91.7	0	0	0	112.2	F316 G317 G322 A323 V324	F316-F320 HydrophobicContact CD1-CD2 4.14Å; F316-F320 AromaticContact CE1-CD2 3.99Å; F316-F320 HydrophobicContact CE1-CD2 3.99Å; F316-F320 AromaticContact CE1-CE2 4Å; F316-F320 HydrophobicContact CE1-CE2 4Å; F316-F320 PolarHBondContact O-N 2.82Å; G317-F320 PolarHBondContact O-N 3.23Å; F320-G322 PolarHBondContact O-N 2.74Å; F320-A323 PolarHBondContact O-N 3.42Å; F320-V324 WeakPolarHBondContact O-CG2 3.14Å; F320-V324 PolarHBondContact O-N 2.86Å
321	A	75.3	Confident	75.3	Confident	56 Å²	56	97.1 Å²	97.1	46%	0.463	55%	0.547	S	S	.	.	H	α-helix	trans	-60.9	-44.1	176.1	0	0	0	0	0	111.7	G317 A318 V324 V325	G317-A321 WeakPolarHBondContact O-CB 3.47Å; G317-A321 PolarHBondContact O-N 3.16Å; A318-A321 PolarHBondContact O-N 2.86Å; A321-V324 PolarHBondContact O-N 3.4Å; A321-V325 WeakPolarHBondContact O-CG2 3.37Å; A321-V325 PolarHBondContact O-N 2.91Å
322	G	74.8	Confident	74.6	Confident	42 Å²	42	104.1 Å²	104.1	43%	0.433	56%	0.563	S	S	.	*	H	α-helix	trans	-59.6	-45	174.4	0	0	0	0	0	112.9	A318 M319 F320 V325 A326	A318-G322 PolarHBondContact O-N 3.15Å; M319-G322 PolarHBondContact O-N 2.76Å; F320-G322 PolarHBondContact O-N 2.74Å; G322-V325 PolarHBondContact O-N 3.4Å; G322-A326 WeakPolarHBondContact O-CB 3.47Å; G322-A326 PolarHBondContact O-N 2.83Å
323	A	76.2	Confident	73.5	Confident	59 Å²	59	111 Å²	111	49%	0.488	58%	0.582	S	S	.	*	H	α-helix	trans	-63.1	-42.5	176.8	0	0	0	0	0	112.5	M319 F320 A326 A327	M319-A323 WeakPolarHBondContact O-CB 3.49Å; M319-A323 PolarHBondContact O-N 3.26Å; F320-A323 PolarHBondContact O-N 3.42Å; A323-A326 PolarHBondContact O-N 3.05Å; A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.17Å
324	V	76.4	Confident	72.1	Confident	82 Å²	82	108.7 Å²	108.7	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-63.9	-45.4	175.8	170.4	0	0	0	0	111.2	F320 A321 A326 A327 V328	F320-V324 WeakPolarHBondContact O-CG2 3.14Å; F320-V324 PolarHBondContact O-N 2.86Å; A321-V324 PolarHBondContact O-N 3.4Å; V324-A326 VanDerWaalsContact C-N 3.34Å; V324-A326 PolarHBondContact O-N 2.86Å; V324-A327 PolarHBondContact O-N 3.43Å; V324-V328 HydrophobicContact CG1-CG2 4.4Å; V324-V328 WeakPolarHBondContact O-CB 3.29Å; V324-V328 WeakPolarHBondContact O-CG2 3.26Å; V324-V328 PolarHBondContact O-N 2.95Å
325	V	75.7	Confident	70.7	Confident	100 Å²	100	108.1 Å²	108.1	61%	0.606	58%	0.577	S	S	*	*	H	α-helix	trans	-61.7	-41.8	176.6	170	0	0	0	0	111.3	A321 G322 R329	A321-V325 WeakPolarHBondContact O-CG2 3.37Å; A321-V325 PolarHBondContact O-N 2.91Å; G322-V325 PolarHBondContact O-N 3.4Å; V325-R329 VanDerWaalsContact O-CB 3.28Å; V325-R329 WeakPolarHBondContact O-CB 3.42Å; V325-R329 PolarHBondContact O-N 3.43Å
326	A	72.3	Confident	69.2	Low	58 Å²	58	109.4 Å²	109.4	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-62.9	-46	175.1	0	0	0	0	0	112.1	G322 A323 V324 R329 W330	G322-A326 WeakPolarHBondContact O-CB 3.47Å; G322-A326 PolarHBondContact O-N 2.83Å; A323-A326 PolarHBondContact O-N 3.05Å; V324-A326 VanDerWaalsContact C-N 3.34Å; V324-A326 PolarHBondContact O-N 2.86Å; A326-R329 PolarHBondContact O-N 2.94Å; A326-W330 WeakPolarHBondContact O-CB 3.07Å; A326-W330 PolarHBondContact O-N 3.27Å
327	A	72.4	Confident	67.8	Low	53 Å²	53	114 Å²	114	44%	0.438	60%	0.598	S	S	.	*	H	α-helix	trans	-64.8	-40.6	178.9	0	0	0	0	0	112.8	A323 V324 W330 R331	A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.17Å; V324-A327 PolarHBondContact O-N 3.43Å; A327-W330 PolarHBondContact O-N 3.44Å; A327-R331 PolarHBondContact O-N 3.13Å
328	V	72.4	Confident	65.9	Low	84 Å²	84	122 Å²	122	51%	0.509	62%	0.621	S	S	.	*	H	α-helix	trans	-65.3	-41.9	174.2	170.2	0	0	0	0	111	V324 R331 R332	V324-V328 HydrophobicContact CG1-CG2 4.4Å; V324-V328 WeakPolarHBondContact O-CB 3.29Å; V324-V328 WeakPolarHBondContact O-CG2 3.26Å; V324-V328 PolarHBondContact O-N 2.95Å; V328-R331 PolarHBondContact O-N 2.67Å; V328-R332 PolarHBondContact O-N 2.68Å
329	R	70.8	Confident	63.9	Low	202 Å²	202	122.8 Å²	122.8	76%	0.762	63%	0.634	S	S	*	*	H	α-helix	trans	-67.4	-34.5	177.1	-166.2	172.5	-177.3	124.5	-0.7	112.2	V325 A326 K333	V325-R329 VanDerWaalsContact O-CB 3.28Å; V325-R329 WeakPolarHBondContact O-CB 3.42Å; V325-R329 PolarHBondContact O-N 3.43Å; A326-R329 PolarHBondContact O-N 2.94Å; R329-K333 PolarHBondContact O-N 2.97Å
330	W	69.3	Low	61.7	Low	201 Å²	201	121.1 Å²	121.1	76%	0.761	65%	0.647	S	S	*	*	H	α-helix	trans	-65.3	-51	170.2	-164.4	-29.5	0	0	0	110.6	A326 A327 R332 K333 S334	A326-W330 WeakPolarHBondContact O-CB 3.07Å; A326-W330 PolarHBondContact O-N 3.27Å; A327-W330 PolarHBondContact O-N 3.44Å; W330-R332 VanDerWaalsContact C-N 3.33Å; W330-R332 PolarHBondContact O-N 2.98Å; W330-K333 CarbonylContact O-C 3.58Å; W330-K333 WeakPolarHBondContact O-CA 3.25Å; W330-K333 WeakPolarHBondContact O-CB 3.48Å; W330-K333 PolarHBondContact O-N 2.94Å; W330-S334 PolarHBondContact O-N 2.99Å; W330-S334 PolarHBondContact O-OG 2.89Å
331	R	64.1	Low	59.6	Low	197 Å²	197	120.4 Å²	120.4	74%	0.743	66%	0.659	S	S	*	*	H	α-helix	trans	-54.1	-46.3	178.4	-83.9	-170.6	173.4	-172.5	-0.6	112.4	A327 V328 K333 S334 S335	A327-R331 PolarHBondContact O-N 3.13Å; V328-R331 PolarHBondContact O-N 2.67Å; R331-K333 VanDerWaalsContact C-N 3.31Å; R331-K333 PolarHBondContact O-N 3.4Å; R331-S334 WeakPolarHBondContact CA-OG 3.17Å; R331-S334 PolarHBondContact O-N 3.12Å; R331-S334 VanDerWaalsContact O-N 3.16Å; R331-S334 PolarHBondContact O-OG 3.08Å; R331-S335 PolarHBondContact O-N 2.71Å; R331-S335 PolarHBondContact O-OG 3.24Å
332	R	58.2	Low	57.5	Low	196 Å²	196	128.1 Å²	128.1	74%	0.74	68%	0.678	S	S	*	*	H	α-helix	trans	-59.7	-35.5	173.6	-100.9	-176.9	170.2	169.6	-2.4	113.5	V328 W330 S335	V328-R332 PolarHBondContact O-N 2.68Å; W330-R332 VanDerWaalsContact C-N 3.33Å; W330-R332 PolarHBondContact O-N 2.98Å; R332-S335 PolarHBondContact O-OG 3.35Å
333	K	54.3	Low	55.6	Low	180 Å²	180	131 Å²	131	78%	0.783	69%	0.691	S	S	*	*	H	α-helix	trans	-77	-21.9	177.2	-161.9	176.9	-177.7	-176.2	0	113.2	R329 W330 R331	R329-K333 PolarHBondContact O-N 2.97Å; W330-K333 CarbonylContact O-C 3.58Å; W330-K333 WeakPolarHBondContact O-CA 3.25Å; W330-K333 WeakPolarHBondContact O-CB 3.48Å; W330-K333 PolarHBondContact O-N 2.94Å; R331-K333 VanDerWaalsContact C-N 3.31Å; R331-K333 PolarHBondContact O-N 3.4Å
334	S	53.1	Low	53.6	Low	71 Å²	71	137.3 Å²	137.3	50%	0.497	71%	0.711	S	S	.	*	H	α-helix	trans	-87.1	-25.5	174.6	50.1	0	0	0	0	114.5	W330 R331 D336	W330-S334 PolarHBondContact O-N 2.99Å; W330-S334 PolarHBondContact O-OG 2.89Å; R331-S334 WeakPolarHBondContact CA-OG 3.17Å; R331-S334 PolarHBondContact O-N 3.12Å; R331-S334 VanDerWaalsContact O-N 3.16Å; R331-S334 PolarHBondContact O-OG 3.08Å; S334-D336 VanDerWaalsContact C-N 3.33Å; S334-D336 PolarHBondContact O-N 2.9Å
335	S	51.8	Low	51.6	Low	86 Å²	86	137.9 Å²	137.9	60%	0.601	72%	0.724	S	S	*	*	H	α-helix	trans	-70.6	-26.1	179.2	47.7	0	0	0	0	113.9	R331 R332 R337	R331-S335 PolarHBondContact O-N 2.71Å; R331-S335 PolarHBondContact O-OG 3.24Å; R332-S335 PolarHBondContact O-OG 3.35Å; S335-R337 PolarHBondContact O-N 2.88Å
336	D	48.2	Very low	49.6	Very low	152 Å²	152	137.6 Å²	137.6	81%	0.813	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	1.2	-179.4	-96.4	0.8	0	0	0	114.6	S334	S334-D336 VanDerWaalsContact C-N 3.33Å; S334-D336 PolarHBondContact O-N 2.9Å
337	R	48.6	Very low	47.7	Very low	221 Å²	221	140.1 Å²	140.1	83%	0.834	75%	0.746	S	S	*	*	S	Bend	trans	-143.9	52.3	-168.3	-151.5	178.9	-173.9	176.4	2.9	116.5	S335	S335-R337 PolarHBondContact O-N 2.88Å
338	K	37.8	Very low	46	Very low	210 Å²	210	142.8 Å²	142.8	91%	0.913	76%	0.762	S	S	*	*			trans	-165.4	119.5	149	-113.4	169.4	-175.8	-175.4	0	112.4
339	G	34.7	Very low	44.4	Very low	78 Å²	78	145.5 Å²	145.5	80%	0.804	77%	0.773	S	S	*	*			trans	-128.1	142	165.4	0	0	0	0	0	110.4
340	G	32.8	Very low	42.9	Very low	82 Å²	82	141.8 Å²	141.8	85%	0.845	78%	0.778	S	S	*	*			trans	70.3	116.1	165.1	0	0	0	0	0	118.5
341	S	31.8	Very low	41.5	Very low	119 Å²	119	136.6 Å²	136.6	83%	0.832	78%	0.778	S	S	*	*				179	167.9	101.6	-157.6	0	0	0	0	112.6
342	Y	32	Very low	40.3	Very low	218 Å²	218	136.5 Å²	136.5	86%	0.855	79%	0.786	S	S	*	*			trans	-79.1	176.6	172.9	-71.4	-113.8	0	0	0	110.5
343	S	34.9	Very low	39.1	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	78%	0.782	S	S	*	*			cis	-157.6	178.6	26.8	-48.4	0	0	0	0	114.2
344	Q	34.5	Very low	38.5	Very low	190 Å²	190	127.2 Å²	127.2	89%	0.888	78%	0.784	S	S	*	*			trans	-22.9	156.7	158.9	-71.9	162.1	-71.8	0	0	118.3
345	A	33.8	Very low	37.7	Very low	94 Å²	94	130.2 Å²	130.2	78%	0.777	79%	0.794	S	S	*	*			cis	-167.6	-158.8	-8.8	0	0	0	0	0	107.9
346	A	33.5	Very low	36.9	Very low	94 Å²	94	133.2 Å²	133.2	78%	0.777	80%	0.801	S	S	*	*			cis	-163.1	-165.7	10.3	0	0	0	0	0	112.8
347	S	33.8	Very low	36.3	Very low	111 Å²	111	130 Å²	130	78%	0.776	79%	0.791	S	S	*	*			trans	-14.9	148	157.2	-165.5	0	0	0	0	118.5
348	S	35.7	Very low	35.8	Very low	109 Å²	109	126.8 Å²	126.8	76%	0.762	79%	0.789	S	S	*	*			cis	-150.5	173.7	39.7	65.7	0	0	0	0	118.2
349	D	38	Very low	35.8	Very low	142 Å²	142	122.7 Å²	122.7	76%	0.759	78%	0.782	S	S	*	*			trans	-75.8	161	-168.9	-49	-91.9	0	0	0	117.8
350	S	41.4	Very low	36	Very low	124 Å²	124	123.2 Å²	123.2	87%	0.867	78%	0.778	S	S	*	*				-164.6	161.4	111.4	17.1	0	0	0	0	113.3
351	A	38.8	Very low	36.2	Very low	92 Å²	92	125.3 Å²	125.3	76%	0.76	78%	0.779	S	S	*	*			trans	-71.9	-178.6	-168.7	0	0	0	0	0	114.4
352	Q	38.9	Very low	36.3	Very low	194 Å²	194	128.8 Å²	128.8	91%	0.907	78%	0.779	S	S	*	*			cis	-167.6	154.5	28.5	-159.3	167.2	6.4	0	0	113.8
353	G	33.2	Very low	36.6	Very low	63 Å²	63	128.1 Å²	128.1	65%	0.649	80%	0.797	S	S	*	*			trans	96.7	115.2	166.1	0	0	0	0	0	114.9
354	S	40.8	Very low	36.7	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	80%	0.801	S	S	*	*			cis	77.9	125.7	33.3	90.1	0	0	0	0	114.6
355	D	37.6	Very low	36.8	Very low	133 Å²	133	126.2 Å²	126.2	71%	0.711	80%	0.796	S	S	*	*			cis	-167.2	162.8	-11.2	-156.5	3	0	0	0	110.8
356	M	34.8	Very low	37	Very low	150 Å²	150	127.9 Å²	127.9	74%	0.739	80%	0.797	S	S	*	*			trans	60.5	164.8	155.5	-63.6	-101.8	175.9	0	0	119.9
357	S	35.2	Very low	37.2	Very low	85 Å²	85	129.9 Å²	129.9	59%	0.594	80%	0.798	S	S	*	*			cis	-168	150.3	-37.8	-98.4	0	0	0	0	112.7
358	L	37.3	Very low	37.4	Very low	153 Å²	153	131.1 Å²	131.1	80%	0.801	80%	0.8	S	S	*	*			trans	70.7	142	143.1	-71.5	166.1	0	0	0	124.9
359	T	39.2	Very low	37.5	Very low	123 Å²	123	132.6 Å²	132.6	76%	0.755	80%	0.802	S	S	*	*			trans	66.4	97.2	147.1	41.9	0	0	0	0	123.3
360	A	38.4	Very low	37.5	Very low	89 Å²	89	131.9 Å²	131.9	74%	0.736	81%	0.805	S	S	*	*				39.1	120.2	104.7	0	0	0	0	0	122.3
361	C	36.4	Very low	37.2	Very low	127 Å²	127	132.5 Å²	132.5	86%	0.858	80%	0.801	S	S	*	*			trans	62.4	125.9	130.2	-81.1	0	0	0	0	123.3
362	K	34.9	Very low	37.1	Very low	191 Å²	191	135.9 Å²	135.9	83%	0.83	80%	0.804	S	S	*	*				84.1	105.1	129.6	-164.1	-178.6	-173	-179.3	0	119.4
363	V	37.9	Very low	36.9	Very low	204 Å²	204	130.6 Å²	130.6	100%	1.236	80%	0.795	S	S	*	*				-113.6	0	109	175.7	0	0	0	0	107

Retrieved 363 of 363 residues in 110.6 ms (Link to these results)

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