A0A060D0Q1_HUMAN Loading...

MHC class I antigen

AlphaFold DB (F4NBY6), UniProt , Accession A0A060D0Q1, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 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	M	33.8	Very low	41.1	Very low	238 Å²	238	136.9 Å²	136.9	100%	1.172	71%	0.707	S	S	*	*				0	103	0	-72.6	165.8	179.5	0	0	107.9
2	R	32.3	Very low	41.2	Very low	244 Å²	244	136.1 Å²	136.1	92%	0.921	70%	0.703	S	S	*	*			trans	-86	107.8	170.5	-90.3	-179.5	173.9	165.3	-2.1	106.5	T4	R2-T4 PolarHBondContact O-N 3.12Å; R2-T4 VanDerWaalsContact O-N 3.12Å
3	V	36.1	Very low	41	Very low	138 Å²	138	133.1 Å²	133.1	84%	0.836	69%	0.688	S	S	*	*			trans	-73.3	99.6	170.6	179.2	0	0	0	0	106.6	A5	V3-A5 PolarHBondContact O-N 3.31Å
4	T	40.3	Very low	41	Very low	126 Å²	126	128.2 Å²	128.2	77%	0.773	67%	0.672	S	S	*	*			trans	-76.6	103.4	167.3	42.4	0	0	0	0	107.6	R2	R2-T4 PolarHBondContact O-N 3.12Å; R2-T4 VanDerWaalsContact O-N 3.12Å
5	A	41.9	Very low	41.4	Very low	60 Å²	60	122 Å²	122	50%	0.496	65%	0.651	S	S	.	*			trans	-61.2	141.2	167.3	0	0	0	0	0	109.3	V3 R7	V3-A5 PolarHBondContact O-N 3.31Å; A5-R7 PolarHBondContact O-N 3.4Å
6	P	44.4	Very low	41.6	Very low	78 Å²	78	116.7 Å²	116.7	51%	0.506	63%	0.629	S	S	.	*			trans	-62.8	132.7	179.7	-13.8	26.7	0	0	0	110	T8 V9 L10	P6-T8 PolarHBondContact O-N 2.95Å; P6-V9 HydrophobicContact CB-CG2 4.2Å; P6-V9 HydrophobicContact CG-CG2 4.05Å; P6-V9 PolarHBondContact O-N 3.42Å; P6-L10 PolarHBondContact O-N 3.02Å
7	R	43.7	Very low	41.5	Very low	224 Å²	224	116.3 Å²	116.3	85%	0.845	63%	0.626	S	S	*	*	H	α-helix	trans	-51.9	-27.5	179	-100.8	176.4	161.8	142	-5.8	113.8	A5 L11	A5-R7 PolarHBondContact O-N 3.4Å; R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 2.7Å
8	T	46.4	Very low	41.4	Very low	94 Å²	94	112.9 Å²	112.9	58%	0.577	62%	0.617	S	S	*	*	H	α-helix	trans	-69.1	-38.7	175.6	33.3	0	0	0	0	113.3	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 2.95Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L10 PolarHBondContact O-N 2.62Å; T8-L11 PolarHBondContact O-N 2.66Å; T8-L12 PolarHBondContact O-N 2.61Å; T8-L12 VanDerWaalsContact O-N 3.16Å
9	V	46.1	Very low	41.4	Very low	70 Å²	70	111.2 Å²	111.2	42%	0.424	61%	0.606	S	S	.	*	H	α-helix	trans	-67.4	-36.8	176.3	177.7	0	0	0	0	110.6	P6 L13	P6-V9 HydrophobicContact CB-CG2 4.2Å; P6-V9 HydrophobicContact CG-CG2 4.05Å; P6-V9 PolarHBondContact O-N 3.42Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 WeakPolarHBondContact O-CB 3.39Å; V9-L13 WeakPolarHBondContact O-CD1 3.38Å; V9-L13 WeakPolarHBondContact O-CG 3.48Å; V9-L13 PolarHBondContact O-N 3.39Å; V9-L13 VanDerWaalsContact O-N 3.12Å
10	L	40.8	Very low	41.4	Very low	107 Å²	107	109.6 Å²	109.6	56%	0.56	60%	0.6	S	S	*	*	H	α-helix	trans	-65.9	-38.7	176.9	-134.3	88.6	0	0	0	112.1	P6 T8 S14	P6-L10 PolarHBondContact O-N 3.02Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L10 PolarHBondContact O-N 2.62Å; L10-S14 WeakPolarHBondContact O-CB 3.44Å; L10-S14 PolarHBondContact O-N 2.82Å; L10-S14 PolarHBondContact O-OG 3.49Å
11	L	45.9	Very low	41.3	Very low	127 Å²	127	112.5 Å²	112.5	67%	0.665	61%	0.61	S	S	*	*	H	α-helix	trans	-71.2	-40.6	179.8	-74.3	165.4	0	0	0	112.7	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 2.7Å; T8-L11 PolarHBondContact O-N 2.66Å; L11-S14 PolarHBondContact O-N 3.26Å; L11-G15 PolarHBondContact O-N 3.12Å
12	L	43	Very low	41.8	Very low	127 Å²	127	105.4 Å²	105.4	67%	0.665	58%	0.58	S	S	*	*	H	α-helix	trans	-66.1	-40.5	175.6	-74.7	166.4	0	0	0	112.1	T8 S14 G15 A16	T8-L12 PolarHBondContact O-N 2.61Å; T8-L12 VanDerWaalsContact O-N 3.16Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-G15 PolarHBondContact O-N 3.16Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 3Å
13	L	38.7	Very low	42.7	Very low	97 Å²	97	95.7 Å²	95.7	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-35.7	172.9	-77	163.3	0	0	0	112	V9 L17	V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 WeakPolarHBondContact O-CB 3.39Å; V9-L13 WeakPolarHBondContact O-CD1 3.38Å; V9-L13 WeakPolarHBondContact O-CG 3.48Å; V9-L13 PolarHBondContact O-N 3.39Å; V9-L13 VanDerWaalsContact O-N 3.12Å; L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.24Å; L13-L17 PolarHBondContact O-N 3.36Å
14	S	41	Very low	43.6	Very low	65 Å²	65	92.3 Å²	92.3	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-69	-39.9	176.9	-54.2	0	0	0	0	112	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.44Å; L10-S14 PolarHBondContact O-N 2.82Å; L10-S14 PolarHBondContact O-OG 3.49Å; L11-S14 PolarHBondContact O-N 3.26Å; L12-S14 VanDerWaalsContact C-N 3.32Å; S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 2.99Å
15	G	46.1	Very low	45.4	Very low	35 Å²	35	87.3 Å²	87.3	36%	0.361	50%	0.504	S	S	.	.	H	α-helix	trans	-66.4	-44.4	174	0	0	0	0	0	112.2	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.12Å; L12-G15 PolarHBondContact O-N 3.16Å; G15-A18 PolarHBondContact O-N 3.19Å; G15-L19 WeakPolarHBondContact O-CD1 3.12Å; G15-L19 PolarHBondContact O-N 3.37Å
16	A	45.5	Very low	47.8	Very low	37 Å²	37	87.2 Å²	87.2	31%	0.306	50%	0.499	S	S	.	.	H	α-helix	trans	-64.7	-40.9	176.4	0	0	0	0	0	112.5	L12 T20	L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 3Å; A16-T20 WeakPolarHBondContact O-CG2 3.46Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 2.88Å
17	L	40	Very low	50.3	Low	110 Å²	110	84.9 Å²	84.9	58%	0.576	48%	0.482	S	S	*	.	H	α-helix	trans	-68.2	-42.1	177.1	-80.3	162	0	0	0	112.4	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.24Å; L13-L17 PolarHBondContact O-N 3.36Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.05Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 3.02Å; L17-T20 PolarHBondContact O-OG1 3.03Å; L17-E21 PolarHBondContact O-N 3.23Å
18	A	39	Very low	52.9	Low	56 Å²	56	75.4 Å²	75.4	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-64.2	-36.7	177.2	0	0	0	0	0	112.2	S14 G15 T22	S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 2.99Å; G15-A18 PolarHBondContact O-N 3.19Å; A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-N 3.35Å; A18-T22 PolarHBondContact O-OG1 2.95Å
19	L	41.6	Very low	55.4	Low	79 Å²	79	70.9 Å²	70.9	41%	0.414	42%	0.422	S	S	.	.	H	α-helix	trans	-71.5	-37.5	172.7	-90.9	136.4	0	0	0	112.2	G15 L17 E21 T22 W23	G15-L19 WeakPolarHBondContact O-CD1 3.12Å; G15-L19 PolarHBondContact O-N 3.37Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.05Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.06Å; L19-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.95Å; L19-T22 VanDerWaalsContact O-OG1 3.05Å; L19-W23 PolarHBondContact O-NE1 3.48Å
20	T	41.9	Very low	57.9	Low	79 Å²	79	70.2 Å²	70.2	49%	0.485	41%	0.412	S	S	.	.	H	α-helix	trans	-67.7	-31.2	176.6	51.5	0	0	0	0	113.6	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.46Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 2.88Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 3.02Å; L17-T20 PolarHBondContact O-OG1 3.03Å; T20-T22 VanDerWaalsContact C-N 3.35Å
21	E	38.7	Very low	60.7	Low	171 Å²	171	65.4 Å²	65.4	80%	0.799	39%	0.386	S	S	*	.	H	α-helix	trans	-71.8	-26.9	176	-105.4	-178.2	167.7	0	0	112.8	L17 L19	L17-E21 PolarHBondContact O-N 3.23Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.06Å
22	T	45.3	Very low	63.2	Low	90 Å²	90	63.3 Å²	63.3	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-84.1	-10.9	-178.5	55.5	0	0	0	0	114.4	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-N 3.35Å; A18-T22 PolarHBondContact O-OG1 2.95Å; L19-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.95Å; L19-T22 VanDerWaalsContact O-OG1 3.05Å; T20-T22 VanDerWaalsContact C-N 3.35Å
23	W	49.3	Very low	65.8	Low	39 Å²	39	57.4 Å²	57.4	15%	0.148	34%	0.341	C	S	.	.	H	α-helix	trans	-96.5	-28	-172.3	-73.4	44.3	0	0	0	113.5	L19 G25 E236 E288	L19-W23 PolarHBondContact O-NE1 3.48Å; W23-G25 PolarHBondContact O-N 2.88Å; W23-G25 VanDerWaalsContact O-N 3.16Å; W23-E236 HydrophobicContact CH2-CB 4.14Å; W23-E236 HydrophobicContact CH2-CG 3.49Å; W23-E236 VanDerWaalsContact CH2-CG 3.49Å; W23-E236 HydrophobicContact CZ2-CG 3.58Å; W23-E236 HydrophobicContact CZ3-CB 4.18Å; W23-E236 HydrophobicContact CZ3-CG 3.96Å; W23-E236 WeakPolarHBondContact CZ3-O 3.25Å; W23-E288 HydrophobicContact CB-CG 4.43Å; W23-E288 HydrophobicContact CE3-CB 4Å; W23-E288 VanDerWaalsContact O-CD 3.28Å
24	A	56.2	Low	68.7	Low	67 Å²	67	54.6 Å²	54.6	55%	0.554	33%	0.328	S	S	*	.	S	Bend	trans	-81.3	101.6	-176.6	0	0	0	0	0	111.4	P129	A24-P129 WeakPolarHBondContact O-CG 3.42Å
25	G	78.2	Confident	71.5	Confident	22 Å²	22	51.6 Å²	51.6	23%	0.227	31%	0.307	C	S	.	.	S	Bend	trans	92.5	13.8	158	0	0	0	0	0	117.5	W23 G128 P129	W23-G25 PolarHBondContact O-N 2.88Å; W23-G25 VanDerWaalsContact O-N 3.16Å; G25-G128 CarbonylContact O-C 3.56Å; G25-P129 WeakPolarHBondContact O-CA 3.17Å
26	S	92.4	Very high	74	Confident	57 Å²	57	52.7 Å²	52.7	40%	0.399	30%	0.303	S	S	.	.			trans	-84.2	144.2	162.6	63.5	0	0	0	0	110.6	V127	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CB-O 3.49Å
27	H	96.9	Very high	76.4	Confident	30 Å²	30	51.8 Å²	51.8	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.3	178.5	-67.6	-77.3	0	0	0	111	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.3Å; H27-D53 IonicContact CE1-OD2 2.76Å; H27-D53 IonicContact CG-OD2 3.73Å; H27-D53 IonicContact ND1-OD1 3.7Å; H27-D53 IonicContact ND1-OD2 3.71Å; H27-D53 PolarHBondContact ND1-OD2 3.18Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.5Å; H27-V127 HydrophobicContact CB-CG2 4.05Å; H27-V127 PolarHBondContact N-O 3.17Å; H27-V127 PolarHBondContact O-N 3.1Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.32Å
28	S	98.1	Very high	79.1	Confident	24 Å²	24	50.1 Å²	50.1	17%	0.168	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.4	178.1	66.5	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; S28-D53 PolarHBondContact N-OD1 3.07Å; S28-D53 PolarHBondContact O-N 3.23Å; S28-D53 PolarHBondContact OG-OD1 3.5Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; S28-D126 WeakPolarHBondContact CB-OD1 3.26Å
29	M	98.8	Very high	81.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.4	165.9	-175.9	170.9	59.8	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.13Å; M29-Y31 HydrophobicContact CG-CE2 4.02Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.4Å; M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.26Å; M29-G124 CarbonylContact O-C 3.48Å; M29-G124 WeakPolarHBondContact O-CA 3.45Å; M29-C125 PolarHBondContact N-O 2.87Å; M29-C125 PolarHBondContact O-N 2.79Å; M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 WeakPolarHBondContact CE-O 3.29Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.47Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 3.99Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.7	Very high	84.1	Confident	55 Å²	55	50.7 Å²	50.7	21%	0.208	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.9	-177.3	-57.5	-62.4	-176.3	77.7	4.5	111	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.23Å; R30-Y51 PolarHBondContact N-O 3.16Å; R30-Y51 PolarHBondContact O-N 2.99Å; R30-D126 IonicContact CZ-OD1 3.94Å; R30-D126 IonicContact NE-OD1 3.54Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 3.85Å; R30-D126 PolarHBondContact NH2-OD1 3.03Å; R30-D126 IonicContact NH2-OD2 2.82Å; R30-D126 PolarHBondContact NH2-OD2 2.74Å; R30-H137 PolarHBondContact NH2-NE2 2.93Å; R30-H137 VanDerWaalsContact NH2-NE2 3.14Å
31	Y	98.8	Very high	86.5	Confident	6 Å²	6	57 Å²	57	2%	0.024	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.4	170.5	-68.1	-85.6	0	0	0	109.6	M29 V49 F57 V58 Y91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.13Å; M29-Y31 HydrophobicContact CG-CE2 4.02Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; Y31-V49 WeakPolarHBondContact CA-O 3.49Å; Y31-F57 AromaticContact CE1-CZ 3.86Å; Y31-F57 HydrophobicContact CE1-CZ 3.86Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.33Å; Y31-V58 HydrophobicContact CE1-CG2 4.07Å; Y31-Y91 VanDerWaalsContact CD1-OH 3.31Å; Y31-Y91 WeakPolarHBondContact CD1-OH 3.5Å; Y31-Y91 VanDerWaalsContact CE1-OH 3.25Å; Y31-Y91 WeakPolarHBondContact CE1-OH 3.46Å; Y31-M122 WeakPolarHBondContact O-CA 3.25Å; Y31-Y123 HydrophobicContact CD2-CD2 4.26Å; Y31-Y123 AromaticContact CD2-CE2 3.41Å; Y31-Y123 HydrophobicContact CD2-CE2 3.41Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.41Å; Y31-Y123 AromaticContact CD2-CZ 3.65Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.33Å; Y31-Y123 HydrophobicContact CE2-CE2 4.18Å; Y31-Y123 HydrophobicContact CG-CE1 4.45Å; Y31-Y123 AromaticContact CG-CE2 4Å; Y31-Y123 HydrophobicContact CG-CE2 4Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 3.41Å; Y31-Y123 PolarHBondContact O-N 2.83Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.9	Very high	89.1	Confident	84 Å²	84	51.6 Å²	51.6	37%	0.368	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.2	179.1	-57.3	-94.6	0	0	0	109.6	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; F32-A48 WeakPolarHBondContact O-CA 3.48Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.28Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 3.26Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 CarbonylContact C-O 3.55Å; F32-R121 WeakPolarHBondContact CA-O 3.17Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.12Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 4Å
33	Y	98.8	Very high	91.4	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.4	178.1	-57.9	-10.5	0	0	0	109.6	F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y33-F46 HydrophobicContact CD1-CZ 4.3Å; Y33-F46 HydrophobicContact CD2-CE2 4.22Å; Y33-F46 HydrophobicContact CD2-CZ 4.1Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.95Å; Y33-F46 HydrophobicContact CG-CZ 3.95Å; Y33-I47 WeakPolarHBondContact CA-O 3.46Å; Y33-A48 HydrophobicContact CD1-CB 3.41Å; Y33-A48 VanDerWaalsContact CD1-CB 3.41Å; Y33-A48 HydrophobicContact CE1-CB 3.64Å; Y33-A48 HydrophobicContact CG-CB 4.34Å; Y33-Y91 HydrophobicContact CD1-CE1 4.36Å; Y33-Y91 HydrophobicContact CE1-CD1 4.24Å; Y33-Y91 AromaticContact CE1-CE1 3.44Å; Y33-Y91 HydrophobicContact CE1-CE1 3.44Å; Y33-Y91 VanDerWaalsContact CE1-CE1 3.44Å; Y33-Y91 AromaticContact CZ-CE1 3.5Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.37Å; Y33-Q94 HydrophobicContact CD2-CG 3.74Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; Y33-Q120 CarbonylContact O-C 3.57Å; Y33-Q120 VanDerWaalsContact O-CA 3.25Å; Y33-Q120 WeakPolarHBondContact O-CA 3.19Å; Y33-R121 PolarHBondContact N-O 2.92Å; Y33-R121 PolarHBondContact O-N 3.31Å; Y33-Y123 HydrophobicContact CD2-CE1 4.37Å; Y33-Y123 HydrophobicContact CE1-CE1 4.07Å; Y33-Y123 HydrophobicContact CE2-CD1 4.44Å; Y33-Y123 AromaticContact CE2-CE1 3.57Å; Y33-Y123 HydrophobicContact CE2-CE1 3.57Å; Y33-Y123 AromaticContact CZ-CE1 3.42Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.42Å; Y33-Y123 AromaticContact CZ-CZ 3.95Å; Y33-Y123 WeakPolarHBondContact OH-CE1 3.33Å; Y33-Y123 PolarHBondContact OH-OH 2.8Å
34	T	98.8	Very high	93.7	Very high	37 Å²	37	51 Å²	51	23%	0.227	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117	174.7	-54.7	0	0	0	0	108.9	M36 F46 I47 T118 L119 Q120	T34-M36 HydrophobicContact CG2-CE 4.19Å; T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.24Å; T34-F46 WeakPolarHBondContact O-CA 3.32Å; T34-I47 PolarHBondContact N-O 2.89Å; T34-I47 PolarHBondContact O-N 3.23Å; T34-T118 HydrophobicContact CG2-CG2 3.91Å; T34-L119 WeakPolarHBondContact CA-O 3.35Å; T34-Q120 HydrophobicContact CG2-CG 4.15Å
35	A	98.7	Very high	95.7	Very high	2 Å²	2	51.7 Å²	51.7	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.5	171.8	0	0	0	0	0	109.7	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.47Å; A35-R45 WeakPolarHBondContact CA-O 3.33Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; A35-D98 HydrophobicContact CB-CB 3.66Å; A35-L102 HydrophobicContact CB-CD1 3.91Å; A35-T118 WeakPolarHBondContact O-CA 3.17Å; A35-L119 HydrophobicContact CB-CB 4.42Å; A35-L119 PolarHBondContact N-O 3.18Å; A35-L119 PolarHBondContact O-N 3.36Å
36	M	98.5	Very high	96.7	Very high	58 Å²	58	50.8 Å²	50.8	29%	0.286	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115	-177.9	-66.5	162.7	-74.6	0	0	109.5	T34 P44 R45 I47 H117 T118	T34-M36 HydrophobicContact CG2-CE 4.19Å; T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.24Å; M36-P44 CarbonylContact O-C 3.57Å; M36-P44 WeakPolarHBondContact O-CA 3.39Å; M36-P44 WeakPolarHBondContact O-CB 3.42Å; M36-R45 HydrophobicContact CE-CB 4.38Å; M36-R45 HydrophobicContact CE-CG 4.38Å; M36-R45 PolarHBondContact N-O 2.87Å; M36-R45 PolarHBondContact O-N 2.94Å; M36-I47 HydrophobicContact CE-CD1 3.92Å; M36-I47 HydrophobicContact CE-CG1 4.48Å; M36-H117 WeakPolarHBondContact CA-O 3.44Å; M36-T118 HydrophobicContact CG-CG2 4.07Å
37	S	97.9	Very high	97	Very high	18 Å²	18	49.5 Å²	49.5	13%	0.126	27%	0.268	C	S	.	.			trans	-67.4	148.3	172	76.3	0	0	0	0	110	S116 H117	S37-S116 PolarHBondContact O-OG 2.94Å; S37-H117 PolarHBondContact N-O 2.83Å; S37-H117 PolarHBondContact OG-N 3.41Å; S37-H117 PolarHBondContact OG-O 3.19Å
38	R	96.1	Very high	97.1	Very high	76 Å²	76	48.1 Å²	48.1	29%	0.287	26%	0.261	S	S	.	.			trans	-141.7	73.8	179.5	52.1	174.5	175.7	-159.7	-11.5	110.7	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.44Å; R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 WeakPolarHBondContact CD-O 3.35Å; R38-R41 HydrophobicContact CG-CB 4.2Å; R38-R41 PolarHBondContact NE-O 3.23Å; R38-R41 PolarHBondContact O-N 2.93Å; R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 3.05Å; R38-E43 PolarHBondContact NH2-O 3.41Å; R38-D63 IonicContact CZ-OD1 2.73Å; R38-D63 IonicContact CZ-OD2 3.74Å; R38-D63 IonicContact NH1-OD1 3.67Å; R38-D63 PolarHBondContact NH1-OD1 3.1Å; R38-D63 IonicContact NH1-OD2 2.62Å; R38-D63 PolarHBondContact NH1-OD2 2.77Å; R38-D63 IonicContact NH2-OD1 3.41Å; R38-D63 PolarHBondContact NH2-OD1 2.89Å; R38-D63 IonicContact NH2-OD2 3.77Å
39	P	92.8	Very high	97.1	Very high	56 Å²	56	48.1 Å²	48.1	36%	0.364	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	131.1	-176.3	-26.9	34.5	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.79Å; P39-E113 WeakPolarHBondContact CB-O 3.13Å; P39-E113 VanDerWaalsContact CG-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; P39-G115 WeakPolarHBondContact CG-O 3.34Å
40	G	91.9	Very high	97.1	Very high	90 Å²	90	48.1 Å²	48.1	93%	0.928	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.5	-178	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.44Å
41	R	93.8	Very high	97.1	Very high	211 Å²	211	48.9 Å²	48.9	80%	0.796	26%	0.264	S	S	*	.	S	Bend	trans	-123.9	25.4	-179.8	-59	-174.4	-178.9	177.7	0.9	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 WeakPolarHBondContact CD-O 3.35Å; R38-R41 HydrophobicContact CG-CB 4.2Å; R38-R41 PolarHBondContact NE-O 3.23Å; R38-R41 PolarHBondContact O-N 2.93Å; P39-R41 PolarHBondContact O-N 2.79Å
42	G	92.1	Very high	97.1	Very high	59 Å²	59	48.6 Å²	48.6	61%	0.608	26%	0.263	S	S	*	.	S	Bend	trans	94.1	-160.4	178.8	0	0	0	0	0	113.9
43	E	94.7	Very high	97	Very high	90 Å²	90	46 Å²	46	42%	0.421	25%	0.253	S	S	.	.	S	Bend	trans	-71.2	154.1	-177	-63.4	-58.3	168.8	0	0	112.8	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 3.05Å; R38-E43 PolarHBondContact NH2-O 3.41Å; E43-R45 PolarHBondContact O-N 2.86Å; E43-R99 IonicContact OE1-CZ 3.61Å; E43-R99 IonicContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH1 3.02Å; E43-R99 PolarHBondContact OE1-NH1 2.89Å; E43-R99 IonicContact OE1-NH2 3.55Å; E43-R99 PolarHBondContact OE1-NH2 2.75Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.66Å; E43-R99 IonicContact OE2-NE 3.79Å; E43-R99 PolarHBondContact OE2-NE 2.96Å; E43-R99 IonicContact OE2-NH1 3.58Å; E43-R99 IonicContact OE2-NH2 3.6Å; E43-R99 PolarHBondContact OE2-NH2 2.86Å
44	P	97.2	Very high	96.9	Very high	27 Å²	27	48.8 Å²	48.8	18%	0.175	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-51	133.3	173.6	-26.5	35.2	0	0	0	111.9	M36 R99 L102	M36-P44 CarbonylContact O-C 3.57Å; M36-P44 WeakPolarHBondContact O-CA 3.39Å; M36-P44 WeakPolarHBondContact O-CB 3.42Å; P44-R99 HydrophobicContact CG-CB 4.34Å; P44-R99 HydrophobicContact CG-CG 4.1Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.88Å
45	R	98.3	Very high	96.9	Very high	80 Å²	80	47.6 Å²	47.6	30%	0.302	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	129.1	173.9	-177.5	-178.8	-175.9	179.7	-1.7	108.5	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.47Å; A35-R45 WeakPolarHBondContact CA-O 3.33Å; M36-R45 HydrophobicContact CE-CB 4.38Å; M36-R45 HydrophobicContact CE-CG 4.38Å; M36-R45 PolarHBondContact N-O 2.87Å; M36-R45 PolarHBondContact O-N 2.94Å; E43-R45 PolarHBondContact O-N 2.86Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; R45-D61 IonicContact CZ-OD1 3.47Å; R45-D61 IonicContact CZ-OD2 3.6Å; R45-D61 IonicContact NE-OD1 3.04Å; R45-D61 PolarHBondContact NE-OD1 2.8Å; R45-D61 IonicContact NE-OD2 3.35Å; R45-D61 IonicContact NH2-OD1 2.87Å; R45-D61 PolarHBondContact NH2-OD1 2.99Å; R45-D61 IonicContact NH2-OD2 2.75Å; R45-D61 PolarHBondContact NH2-OD2 2.79Å; R45-S62 WeakPolarHBondContact CA-OG 3.42Å; R45-D63 VanDerWaalsContact CD-OD2 3.25Å; R45-D63 WeakPolarHBondContact CD-OD2 3.36Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 3.02Å
46	F	98.7	Very high	96.8	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.7	177.2	175.3	-93.6	0	0	0	110.1	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.3Å; Y33-F46 HydrophobicContact CD2-CE2 4.22Å; Y33-F46 HydrophobicContact CD2-CZ 4.1Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.95Å; Y33-F46 HydrophobicContact CG-CZ 3.95Å; T34-F46 WeakPolarHBondContact O-CA 3.32Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; F46-A48 HydrophobicContact CE1-CB 3.78Å; F46-A48 HydrophobicContact CZ-CB 3.89Å; F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.83Å; F46-F60 HydrophobicContact CD1-CE1 3.83Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; F46-S62 PolarHBondContact N-OG 2.82Å; F46-S62 PolarHBondContact O-N 2.03Å; F46-S62 PolarHBondContact O-OG 3.33Å; F46-Y91 AromaticContact CE1-CD1 3.95Å; F46-Y91 HydrophobicContact CE1-CD1 3.95Å; F46-Y91 HydrophobicContact CZ-CD1 4.16Å; F46-Q94 HydrophobicContact CE2-CB 4.44Å; F46-Q94 HydrophobicContact CE2-CG 3.85Å; F46-Q94 HydrophobicContact CZ-CB 4.07Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; F46-A95 HydrophobicContact CB-CB 3.72Å; F46-A95 HydrophobicContact CD1-CB 3.81Å; F46-A95 HydrophobicContact CD2-CB 4.27Å; F46-A95 HydrophobicContact CG-CB 3.67Å; F46-D98 HydrophobicContact CD2-CB 4.48Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.32Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.29Å
47	I	98.8	Very high	96.8	Very high	31 Å²	31	47 Å²	47	16%	0.159	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.1	174.7	-60	171.8	0	0	0	107.6	Y33 T34 M36 R45 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.46Å; T34-I47 PolarHBondContact N-O 2.89Å; T34-I47 PolarHBondContact O-N 3.23Å; M36-I47 HydrophobicContact CE-CD1 3.92Å; M36-I47 HydrophobicContact CE-CG1 4.48Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; I47-V49 HydrophobicContact CG2-CG1 4.42Å; I47-F60 WeakPolarHBondContact CA-O 3.46Å
48	A	98.7	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.4	170.2	0	0	0	0	0	110.4	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.48Å; Y33-A48 HydrophobicContact CD1-CB 3.41Å; Y33-A48 VanDerWaalsContact CD1-CB 3.41Å; Y33-A48 HydrophobicContact CE1-CB 3.64Å; Y33-A48 HydrophobicContact CG-CB 4.34Å; F46-A48 HydrophobicContact CE1-CB 3.78Å; F46-A48 HydrophobicContact CZ-CB 3.89Å; A48-R59 CarbonylContact O-C 3.58Å; A48-R59 WeakPolarHBondContact O-CA 3.47Å; A48-F60 HydrophobicContact CB-CB 4.31Å; A48-F60 PolarHBondContact N-O 2.67Å; A48-F60 PolarHBondContact O-N 3.05Å; A48-Y91 HydrophobicContact CB-CD1 3.52Å; A48-Y91 HydrophobicContact CB-CE1 3.41Å; A48-Y91 VanDerWaalsContact CB-CE1 3.41Å
49	V	98.8	Very high	97	Very high	25 Å²	25	46.3 Å²	46.3	15%	0.152	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.3	173.5	-62.7	0	0	0	0	109.7	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.49Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.28Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 3.26Å; I47-V49 HydrophobicContact CG2-CG1 4.42Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.18Å
50	G	98.7	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.2	176.2	0	0	0	0	0	110.4	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.23Å; G50-Q56 WeakPolarHBondContact O-CA 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.35Å; G50-F57 PolarHBondContact O-N 2.82Å; G50-V58 PolarHBondContact N-O 2.87Å; G50-V58 VanDerWaalsContact N-O 3.13Å; G50-V58 PolarHBondContact O-N 2.92Å
51	Y	98.8	Very high	97.6	Very high	70 Å²	70	40.6 Å²	40.6	28%	0.275	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.6	-179.9	-77.6	-102.6	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.34Å; R30-Y51 PolarHBondContact N-O 3.16Å; R30-Y51 PolarHBondContact O-N 2.99Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 2.94Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.46Å; Y51-Q56 HydrophobicContact CD2-CG 4.3Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.02Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.6	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.3	156.5	177.2	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; M29-V52 HydrophobicContact CG-CG2 4.4Å; V52-D54 PolarHBondContact O-N 3.08Å; V52-T55 PolarHBondContact N-O 2.92Å; V52-T55 WeakPolarHBondContact O-CB 3.03Å; V52-T55 PolarHBondContact O-N 3.25Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 4.02Å; V52-L196 HydrophobicContact CG1-CD2 4Å; V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	97	Very high	98	Very high	30 Å²	30	32.5 Å²	32.5	16%	0.16	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-128.7	-166.3	-51.4	-41.2	0	0	0	110.2	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.3Å; H27-D53 IonicContact CE1-OD2 2.76Å; H27-D53 IonicContact CG-OD2 3.73Å; H27-D53 IonicContact ND1-OD1 3.7Å; H27-D53 IonicContact ND1-OD2 3.71Å; H27-D53 PolarHBondContact ND1-OD2 3.18Å; S28-D53 PolarHBondContact N-OD1 3.07Å; S28-D53 PolarHBondContact O-N 3.23Å; S28-D53 PolarHBondContact OG-OD1 3.5Å; D53-T55 VanDerWaalsContact C-N 3.3Å; D53-T55 PolarHBondContact O-N 3.46Å
54	D	96.9	Very high	98.1	Very high	61 Å²	61	30.3 Å²	30.3	33%	0.326	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	10.2	177.1	-59	-56.3	0	0	0	114.4	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.08Å; D54-Y233 HydrophobicContact CB-CE2 3.92Å; D54-P234 VanDerWaalsContact OD2-CB 3.22Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 3.05Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	97.4	Very high	98.1	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.08	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.1	-177.6	-58.2	0	0	0	0	111.7	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 2.94Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.92Å; V52-T55 WeakPolarHBondContact O-CB 3.03Å; V52-T55 PolarHBondContact O-N 3.25Å; D53-T55 VanDerWaalsContact C-N 3.3Å; D53-T55 PolarHBondContact O-N 3.46Å; T55-F57 PolarHBondContact O-N 3.23Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.32Å; T55-Y233 PolarHBondContact OG1-OH 2.92Å; T55-R263 PolarHBondContact OG1-NE 2.84Å
56	Q	98	Very high	97.9	Very high	48 Å²	48	35.5 Å²	35.5	22%	0.224	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.9	172.9	-166.6	179.6	-0.2	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.41Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.46Å; Y51-Q56 HydrophobicContact CD2-CG 4.3Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.02Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 3.22Å; Q56-V58 VanDerWaalsContact NE2-O 3.16Å; Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.56Å
57	F	98.3	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-21.1	179.7	73.9	-82.9	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.26Å; Y31-F57 AromaticContact CE1-CZ 3.86Å; Y31-F57 HydrophobicContact CE1-CZ 3.86Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.33Å; G50-F57 WeakPolarHBondContact O-CD1 3.35Å; G50-F57 PolarHBondContact O-N 2.82Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; T55-F57 PolarHBondContact O-N 3.23Å; F57-R72 PolarHBondContact O-N 2.98Å; F57-A73 HydrophobicContact CB-CB 4.13Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.95Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4.02Å; F57-I76 HydrophobicContact CE2-CD1 4.32Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.68Å; F57-Y195 HydrophobicContact CE2-CE2 3.68Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CE2 3.84Å
58	V	98.5	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.7	-179.1	-77.1	0	0	0	0	113	Y31 V49 G50 Q56 M69 A70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 4.07Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; G50-V58 PolarHBondContact N-O 2.87Å; G50-V58 VanDerWaalsContact N-O 3.13Å; G50-V58 PolarHBondContact O-N 2.92Å; Q56-V58 PolarHBondContact NE2-O 3.22Å; Q56-V58 VanDerWaalsContact NE2-O 3.16Å; V58-M69 HydrophobicContact CB-CE 3.99Å; V58-M69 HydrophobicContact CB-CG 4.4Å; V58-M69 HydrophobicContact CB-SD 3.57Å; V58-M69 VanDerWaalsContact CB-SD 3.57Å; V58-M69 HydrophobicContact CG1-CG 4.32Å; V58-M69 HydrophobicContact CG1-SD 4.1Å; V58-M69 HydrophobicContact CG2-CE 4.14Å; V58-M69 HydrophobicContact CG2-SD 4.37Å; V58-A70 WeakPolarHBondContact CA-O 3.31Å; V58-I76 HydrophobicContact CG1-CG1 4.33Å; V58-W84 HydrophobicContact CG1-CH2 4.23Å; V58-W84 HydrophobicContact CG1-CZ3 4.04Å
59	R	98.5	Very high	97.7	Very high	79 Å²	79	41.4 Å²	41.4	30%	0.298	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.1	173.2	-178.9	175.4	173.3	122.2	3.7	112.4	A48 V49 D61 M69 A70 R72	A48-R59 CarbonylContact O-C 3.58Å; A48-R59 WeakPolarHBondContact O-CA 3.47Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.18Å; R59-D61 IonicContact NH2-OD2 2.85Å; R59-D61 PolarHBondContact NH2-OD2 2.94Å; R59-D61 VanDerWaalsContact NH2-OD2 3.13Å; R59-M69 PolarHBondContact N-SD 2.94Å; R59-M69 VanDerWaalsContact N-SD 3.41Å; R59-A70 PolarHBondContact N-O 3.49Å; R59-A70 PolarHBondContact O-N 2.89Å; R59-R72 HydrophobicContact CB-CG 3.95Å
60	F	98.8	Very high	97.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.9	166.9	-179.5	-83.7	0	0	0	110	F46 I47 A48 P67 M69 T88 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.83Å; F46-F60 HydrophobicContact CD1-CE1 3.83Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.46Å; A48-F60 HydrophobicContact CB-CB 4.31Å; A48-F60 PolarHBondContact N-O 2.67Å; A48-F60 PolarHBondContact O-N 3.05Å; F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.95Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; F60-M69 HydrophobicContact CB-CE 3.83Å; F60-M69 HydrophobicContact CB-SD 4.15Å; F60-T88 HydrophobicContact CE2-CG2 4.47Å; F60-Y91 HydrophobicContact CB-CD2 4.5Å; F60-Y91 HydrophobicContact CB-CG 4.19Å; F60-Y91 HydrophobicContact CD2-CG 4.41Å; F60-Y91 HydrophobicContact CG-CG 4.2Å; F60-K92 HydrophobicContact CE2-CG 4.28Å; F60-K92 HydrophobicContact CZ-CG 4.04Å
61	D	98.6	Very high	97.6	Very high	21 Å²	21	44 Å²	44	11%	0.112	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	120.2	175.9	-161	-32.7	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.47Å; R45-D61 IonicContact CZ-OD2 3.6Å; R45-D61 IonicContact NE-OD1 3.04Å; R45-D61 PolarHBondContact NE-OD1 2.8Å; R45-D61 IonicContact NE-OD2 3.35Å; R45-D61 IonicContact NH2-OD1 2.87Å; R45-D61 PolarHBondContact NH2-OD1 2.99Å; R45-D61 IonicContact NH2-OD2 2.75Å; R45-D61 PolarHBondContact NH2-OD2 2.79Å; R59-D61 IonicContact NH2-OD2 2.85Å; R59-D61 PolarHBondContact NH2-OD2 2.94Å; R59-D61 VanDerWaalsContact NH2-OD2 3.13Å; D61-D63 PolarHBondContact O-N 2.82Å; D61-D63 PolarHBondContact OD1-N 2.91Å; D61-A64 WeakPolarHBondContact O-CB 3.19Å; D61-A64 PolarHBondContact O-N 2.94Å
62	S	98.1	Very high	97.5	Very high	32 Å²	32	47.5 Å²	47.5	22%	0.224	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.9	-178.5	67.5	0	0	0	0	113.4	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.42Å; F46-S62 PolarHBondContact N-OG 2.82Å; F46-S62 PolarHBondContact O-N 2.03Å; F46-S62 PolarHBondContact O-OG 3.33Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.47Å
63	D	97.4	Very high	97.4	Very high	69 Å²	69	47.7 Å²	47.7	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.1	-179.6	-78	5.7	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.73Å; R38-D63 IonicContact CZ-OD2 3.74Å; R38-D63 IonicContact NH1-OD1 3.67Å; R38-D63 PolarHBondContact NH1-OD1 3.1Å; R38-D63 IonicContact NH1-OD2 2.62Å; R38-D63 PolarHBondContact NH1-OD2 2.77Å; R38-D63 IonicContact NH2-OD1 3.41Å; R38-D63 PolarHBondContact NH2-OD1 2.89Å; R38-D63 IonicContact NH2-OD2 3.77Å; R45-D63 VanDerWaalsContact CD-OD2 3.25Å; R45-D63 WeakPolarHBondContact CD-OD2 3.36Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 3.02Å; D61-D63 PolarHBondContact O-N 2.82Å; D61-D63 PolarHBondContact OD1-N 2.91Å
64	A	96.9	Very high	97.4	Very high	44 Å²	44	51.2 Å²	51.2	36%	0.364	30%	0.295	S	S	.	.	S	Bend	trans	-63	147.6	172.9	0	0	0	0	0	110.8	D61 S62 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.19Å; D61-A64 PolarHBondContact O-N 2.94Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.8Å; A64-S66 VanDerWaalsContact O-N 3.14Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.16Å
65	A	95.9	Very high	97.4	Very high	118 Å²	118	49.2 Å²	49.2	98%	0.975	28%	0.283	S	S	*	.	S	Bend	trans	-56.7	-33.4	179.8	0	0	0	0	0	113.2
66	S	95.1	Very high	97.4	Very high	98 Å²	98	48.6 Å²	48.6	69%	0.685	28%	0.279	S	S	*	.	S	Bend	trans	-131	93.3	169.3	-174.4	0	0	0	0	108.5	A64 R68	A64-S66 PolarHBondContact O-N 2.8Å; A64-S66 VanDerWaalsContact O-N 3.14Å; S66-R68 PolarHBondContact O-N 2.94Å
67	P	96.5	Very high	97.4	Very high	34 Å²	34	52.3 Å²	52.3	22%	0.221	30%	0.296	C	S	.	.			trans	-64	105.9	-177.2	-24.2	35.4	0	0	0	111	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.95Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; S62-P67 WeakPolarHBondContact O-CG 3.47Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.16Å; P67-K92 WeakPolarHBondContact O-CE 3.38Å; P67-K92 PolarHBondContact O-NZ 3.3Å
68	R	97.6	Very high	97.3	Very high	119 Å²	119	58 Å²	58	45%	0.449	32%	0.323	S	S	.	.			trans	-137.6	148.9	176.7	-163.1	178.7	-172.5	170.4	1.6	109.2	S66 A70 D85 T88	S66-R68 PolarHBondContact O-N 2.94Å; R68-A70 PolarHBondContact O-N 2.93Å; R68-D85 IonicContact CZ-OD1 3.51Å; R68-D85 IonicContact NE-OD1 3.81Å; R68-D85 IonicContact NH2-OD1 2.7Å; R68-D85 PolarHBondContact NH2-OD1 2.74Å; R68-T88 HydrophobicContact CB-CG2 4.41Å; R68-T88 HydrophobicContact CG-CG2 4.08Å; R68-T88 WeakPolarHBondContact CG-OG1 3.48Å
69	M	97.4	Very high	97.2	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.025	33%	0.326	C	S	.	.			trans	-66	128.1	169.3	-177.5	45.1	96.7	0	0	109.1	V58 R59 F60 W84 E87 T88 Y91	V58-M69 HydrophobicContact CB-CE 3.99Å; V58-M69 HydrophobicContact CB-CG 4.4Å; V58-M69 HydrophobicContact CB-SD 3.57Å; V58-M69 VanDerWaalsContact CB-SD 3.57Å; V58-M69 HydrophobicContact CG1-CG 4.32Å; V58-M69 HydrophobicContact CG1-SD 4.1Å; V58-M69 HydrophobicContact CG2-CE 4.14Å; V58-M69 HydrophobicContact CG2-SD 4.37Å; R59-M69 PolarHBondContact N-SD 2.94Å; R59-M69 VanDerWaalsContact N-SD 3.41Å; F60-M69 HydrophobicContact CB-CE 3.83Å; F60-M69 HydrophobicContact CB-SD 4.15Å; M69-W84 HydrophobicContact CB-CE3 4.32Å; M69-W84 HydrophobicContact CG-CE3 4.04Å; M69-W84 HydrophobicContact CG-CZ3 3.93Å; M69-E87 HydrophobicContact CB-CB 4.39Å; M69-E87 HydrophobicContact CG-CB 4.3Å; M69-T88 PolarHBondContact N-OG1 3.46Å; M69-Y91 HydrophobicContact CB-CD2 4.38Å; M69-Y91 HydrophobicContact CE-CD1 4.36Å; M69-Y91 HydrophobicContact CE-CD2 3.38Å; M69-Y91 HydrophobicContact CE-CE1 3.93Å; M69-Y91 HydrophobicContact CE-CE2 2.94Å; M69-Y91 HydrophobicContact CE-CG 4.12Å; M69-Y91 HydrophobicContact CG-CD2 4.46Å; M69-Y91 HydrophobicContact CG-CE2 4.31Å; M69-Y91 HydrophobicContact SD-CE2 4.4Å
70	A	97.3	Very high	97.1	Very high	32 Å²	32	56.5 Å²	56.5	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.4	-175.2	0	0	0	0	0	111.5	V58 R59 R68	V58-A70 WeakPolarHBondContact CA-O 3.31Å; R59-A70 PolarHBondContact N-O 3.49Å; R59-A70 PolarHBondContact O-N 2.89Å; R68-A70 PolarHBondContact O-N 2.93Å
71	P	98.1	Very high	97	Very high	48 Å²	48	60.7 Å²	60.7	31%	0.312	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	149.2	175	28.7	-34.6	0	0	0	111.5	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.64Å; P71-E77 HydrophobicContact CB-CG 3.76Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.04Å; P71-W84 HydrophobicContact CB-CZ3 4.5Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å
72	R	97.6	Very high	97	Very high	143 Å²	143	67.5 Å²	67.5	54%	0.54	39%	0.388	S	S	.	.			trans	-131.2	-1.2	173.6	-62.3	-65.2	171.1	-177.8	-3	113.5	Q56 F57 R59	Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 2.98Å; R59-R72 HydrophobicContact CB-CG 3.95Å
73	A	96.6	Very high	96.9	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.033	38%	0.379	C	S	.	.	S	Bend	trans	-136.5	144.3	173.2	0	0	0	0	0	110.2	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.13Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.79Å; A73-I76 WeakPolarHBondContact O-CG2 3.45Å; A73-I76 PolarHBondContact O-N 3.41Å
74	P	96.9	Very high	97	Very high	104 Å²	104	64.3 Å²	64.3	68%	0.675	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-58.6	-38	-177.6	-26.6	35	0	0	0	113.8	I76 E77	P74-I76 PolarHBondContact O-N 3.47Å; P74-E77 WeakPolarHBondContact O-CB 3.29Å; P74-E77 PolarHBondContact O-N 3.32Å; P74-E77 VanDerWaalsContact O-N 3.09Å
75	W	96.7	Very high	97	Very high	19 Å²	19	66.1 Å²	66.1	7%	0.072	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-69.2	-14.5	-175.7	53.7	-106.8	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.95Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.79Å; W75-Q78 WeakPolarHBondContact O-CG 3.38Å; W75-Q78 PolarHBondContact O-NE2 3.47Å; W75-Y195 HydrophobicContact CE3-CD1 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD2 4.34Å; W75-Y195 AromaticContact CZ3-CG 3.65Å; W75-Y195 HydrophobicContact CZ3-CG 3.65Å; W75-N198 WeakPolarHBondContact CB-O 3.39Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å
76	I	97.8	Very high	97.1	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-89.4	-18.2	173.7	-163.6	70.8	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4.02Å; F57-I76 HydrophobicContact CE2-CD1 4.32Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.49Å; V58-I76 HydrophobicContact CG1-CG1 4.33Å; P71-I76 HydrophobicContact CB-CG2 3.64Å; A73-I76 WeakPolarHBondContact O-CG2 3.45Å; A73-I76 PolarHBondContact O-N 3.41Å; P74-I76 PolarHBondContact O-N 3.47Å; I76-Q78 PolarHBondContact O-N 3.43Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.46Å; I76-E79 WeakPolarHBondContact O-CG 3.29Å; I76-E79 PolarHBondContact O-N 3.19Å; I76-Y83 HydrophobicContact CD1-CE1 4.32Å; I76-Y83 HydrophobicContact CG1-CE1 4.35Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4.06Å; I76-W84 HydrophobicContact CG2-CZ2 4.48Å; I76-W84 WeakPolarHBondContact O-CZ2 3.42Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å
77	E	96.7	Very high	97.2	Very high	125 Å²	125	62.5 Å²	62.5	58%	0.584	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-23.4	-176.4	-64.1	-177.6	-178	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.76Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P74-E77 WeakPolarHBondContact O-CB 3.29Å; P74-E77 PolarHBondContact O-N 3.32Å; P74-E77 VanDerWaalsContact O-N 3.09Å; E77-E79 PolarHBondContact O-N 3.05Å
78	Q	95.6	Very high	97.3	Very high	121 Å²	121	61.1 Å²	61.1	57%	0.565	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.6	175.3	68.7	-173.5	-32.2	0	0	114	W75 I76 G80 N198	W75-Q78 WeakPolarHBondContact O-CG 3.38Å; W75-Q78 PolarHBondContact O-NE2 3.47Å; I76-Q78 PolarHBondContact O-N 3.43Å; Q78-G80 PolarHBondContact O-N 3.47Å; Q78-N198 PolarHBondContact NE2-ND2 2.98Å
79	E	97.2	Very high	97.3	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.056	31%	0.309	C	S	.	.	S	Bend	trans	-64.3	136	176	-67.6	-61	158.3	0	0	111	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.46Å; I76-E79 WeakPolarHBondContact O-CG 3.29Å; I76-E79 PolarHBondContact O-N 3.19Å; E77-E79 PolarHBondContact O-N 3.05Å; E79-Y83 HydrophobicContact CB-CD1 3.6Å; E79-Y83 HydrophobicContact CB-CE1 4.23Å; E79-Y83 HydrophobicContact CB-CG 3.82Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.31Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 HydrophobicContact CB-CZ2 4.46Å; E79-W84 PolarHBondContact O-NE1 2.97Å; E79-R194 VanDerWaalsContact CD-NH2 3.27Å; E79-R194 IonicContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 3.71Å; E79-R194 PolarHBondContact OE1-NE 3.24Å; E79-R194 IonicContact OE1-NH2 3.05Å; E79-R194 PolarHBondContact OE1-NH2 3.15Å; E79-R194 IonicContact OE2-CZ 2.66Å; E79-R194 IonicContact OE2-NE 2.72Å; E79-R194 IonicContact OE2-NH2 2.87Å; E79-R194 PolarHBondContact OE2-NH2 3.43Å; E79-N198 PolarHBondContact OE1-ND2 3.41Å
80	G	96.4	Very high	97.3	Very high	35 Å²	35	63 Å²	63	36%	0.361	32%	0.32	S	S	.	.			trans	-68.9	167	-174.8	0	0	0	0	0	114	Q78 E82 Y83 W84	Q78-G80 PolarHBondContact O-N 3.47Å; G80-E82 PolarHBondContact O-N 3Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.36Å; G80-Y83 PolarHBondContact O-N 2.95Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 3.27Å
81	P	97.1	Very high	97.4	Very high	92 Å²	92	61.6 Å²	61.6	60%	0.597	31%	0.307	S	S	*	.	H	α-helix	trans	-57.2	-33.5	-178.8	22.7	-33.5	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.31Å; P81-Y83 PolarHBondContact O-N 3.26Å; P81-W84 PolarHBondContact O-N 2.83Å; P81-D85 WeakPolarHBondContact O-CB 3.48Å; P81-D85 PolarHBondContact O-N 2.85Å
82	E	97.6	Very high	97.4	Very high	164 Å²	164	63.4 Å²	63.4	77%	0.766	31%	0.31	S	S	*	.	H	α-helix	trans	-60.5	-38	177.3	-63.7	-178.3	179.4	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 3Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.12Å; E82-R86 PolarHBondContact O-N 2.7Å
83	Y	97.4	Very high	97.4	Very high	9 Å²	9	64.7 Å²	64.7	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-52.1	174.9	170.5	-92.2	0	0	0	110	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.32Å; I76-Y83 HydrophobicContact CG1-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CD1 3.6Å; E79-Y83 HydrophobicContact CB-CE1 4.23Å; E79-Y83 HydrophobicContact CB-CG 3.82Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.31Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; G80-Y83 WeakPolarHBondContact O-CB 3.36Å; G80-Y83 PolarHBondContact O-N 2.95Å; P81-Y83 VanDerWaalsContact C-N 3.31Å; P81-Y83 PolarHBondContact O-N 3.26Å; Y83-D85 VanDerWaalsContact C-N 3.32Å; Y83-D85 PolarHBondContact O-N 2.83Å; Y83-R86 PolarHBondContact O-N 3.44Å; Y83-E87 HydrophobicContact CD1-CG 4.45Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.11Å; Y83-E87 HydrophobicContact CE2-CG 3.81Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CB 3.23Å; Y83-E87 WeakPolarHBondContact O-CG 3.4Å; Y83-E87 PolarHBondContact O-N 2.63Å; Y83-W191 AromaticContact CD2-CH2 3.67Å; Y83-W191 HydrophobicContact CD2-CH2 3.67Å; Y83-W191 HydrophobicContact CD2-CZ2 4.33Å; Y83-W191 AromaticContact CD2-CZ3 3.99Å; Y83-W191 HydrophobicContact CD2-CZ3 3.99Å; Y83-W191 HydrophobicContact CE2-CE3 4.44Å; Y83-W191 AromaticContact CE2-CH2 3.97Å; Y83-W191 HydrophobicContact CE2-CH2 3.97Å; Y83-W191 AromaticContact CE2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CZ3 3.91Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 PolarHBondContact OH-OH 3.08Å
84	W	98.2	Very high	97.4	Very high	25 Å²	25	66 Å²	66	10%	0.095	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-38.8	-178	-64.3	110.9	0	0	0	112.8	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.23Å; V58-W84 HydrophobicContact CG1-CZ3 4.04Å; M69-W84 HydrophobicContact CB-CE3 4.32Å; M69-W84 HydrophobicContact CG-CE3 4.04Å; M69-W84 HydrophobicContact CG-CZ3 3.93Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.04Å; P71-W84 HydrophobicContact CB-CZ3 4.5Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4.06Å; I76-W84 HydrophobicContact CG2-CZ2 4.48Å; I76-W84 WeakPolarHBondContact O-CZ2 3.42Å; E79-W84 HydrophobicContact CB-CZ2 4.46Å; E79-W84 PolarHBondContact O-NE1 2.97Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 3.27Å; P81-W84 PolarHBondContact O-N 2.83Å; W84-T88 WeakPolarHBondContact O-CB 3.45Å; W84-T88 PolarHBondContact O-N 3.39Å; W84-T88 PolarHBondContact O-OG1 2.9Å
85	D	98	Very high	97.5	Very high	81 Å²	81	61.9 Å²	61.9	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-70.5	-45.7	178.4	-71.1	-13.9	0	0	0	111.2	R68 P81 Y83 T88 Q89	R68-D85 IonicContact CZ-OD1 3.51Å; R68-D85 IonicContact NE-OD1 3.81Å; R68-D85 IonicContact NH2-OD1 2.7Å; R68-D85 PolarHBondContact NH2-OD1 2.74Å; P81-D85 WeakPolarHBondContact O-CB 3.48Å; P81-D85 PolarHBondContact O-N 2.85Å; Y83-D85 VanDerWaalsContact C-N 3.32Å; Y83-D85 PolarHBondContact O-N 2.83Å; D85-T88 PolarHBondContact O-N 3.13Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.19Å
86	R	97.6	Very high	97.6	Very high	124 Å²	124	66 Å²	66	47%	0.468	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-49.9	176.4	-176.3	-178.2	68.6	-147.7	-3.5	111.6	E82 Y83 Q89 K90 W191	E82-R86 WeakPolarHBondContact O-CB 3.12Å; E82-R86 PolarHBondContact O-N 2.7Å; Y83-R86 PolarHBondContact O-N 3.44Å; R86-Q89 PolarHBondContact O-N 3.31Å; R86-K90 PolarHBondContact O-N 2.73Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.26Å
87	E	97.6	Very high	97.6	Very high	16 Å²	16	69.5 Å²	69.5	8%	0.075	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-44.3	179.3	-68.7	-45.3	118	0	0	110.5	M69 Y83 Q89 K90 Y91	M69-E87 HydrophobicContact CB-CB 4.39Å; M69-E87 HydrophobicContact CG-CB 4.3Å; Y83-E87 HydrophobicContact CD1-CG 4.45Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.11Å; Y83-E87 HydrophobicContact CE2-CG 3.81Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CB 3.23Å; Y83-E87 WeakPolarHBondContact O-CG 3.4Å; Y83-E87 PolarHBondContact O-N 2.63Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.05Å; E87-K90 WeakPolarHBondContact O-CA 3.38Å; E87-K90 VanDerWaalsContact O-CB 3.31Å; E87-K90 WeakPolarHBondContact O-CB 3.23Å; E87-K90 PolarHBondContact O-N 3.05Å; E87-K90 WeakPolarHBondContact OE2-CD 3.34Å; E87-K90 IonicContact OE2-NZ 3.35Å; E87-Y91 HydrophobicContact CB-CD2 4.4Å; E87-Y91 HydrophobicContact CB-CE2 4.11Å; E87-Y91 WeakPolarHBondContact O-CD2 3.41Å; E87-Y91 PolarHBondContact O-N 2.63Å
88	T	98.3	Very high	97.6	Very high	6 Å²	6	63.9 Å²	63.9	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-55.7	-45	175.8	-65	0	0	0	0	112.3	F60 R68 M69 W84 D85 Y91 K92	F60-T88 HydrophobicContact CE2-CG2 4.47Å; R68-T88 HydrophobicContact CB-CG2 4.41Å; R68-T88 HydrophobicContact CG-CG2 4.08Å; R68-T88 WeakPolarHBondContact CG-OG1 3.48Å; M69-T88 PolarHBondContact N-OG1 3.46Å; W84-T88 WeakPolarHBondContact O-CB 3.45Å; W84-T88 PolarHBondContact O-N 3.39Å; W84-T88 PolarHBondContact O-OG1 2.9Å; D85-T88 PolarHBondContact O-N 3.13Å; T88-Y91 PolarHBondContact O-N 2.82Å; T88-K92 HydrophobicContact CG2-CD 4.27Å; T88-K92 WeakPolarHBondContact O-CG 3.44Å; T88-K92 PolarHBondContact O-N 2.82Å
89	Q	98.2	Very high	97.7	Very high	104 Å²	104	61.2 Å²	61.2	49%	0.486	30%	0.296	S	S	.	.	H	α-helix	trans	-67.7	-36.3	177.4	-65.9	-57.1	-25.9	0	0	112.4	D85 R86 E87 K92 R93	D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.19Å; R86-Q89 PolarHBondContact O-N 3.31Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.05Å; Q89-K92 PolarHBondContact O-N 2.94Å; Q89-R93 WeakPolarHBondContact O-CG 3.32Å; Q89-R93 PolarHBondContact O-N 3.36Å
90	K	97.2	Very high	97.8	Very high	59 Å²	59	63.9 Å²	63.9	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-49	172.4	-178	-170.2	172.9	-172	0	111.1	R86 E87 R93 Q94 Y123	R86-K90 PolarHBondContact O-N 2.73Å; E87-K90 WeakPolarHBondContact O-CA 3.38Å; E87-K90 VanDerWaalsContact O-CB 3.31Å; E87-K90 WeakPolarHBondContact O-CB 3.23Å; E87-K90 PolarHBondContact O-N 3.05Å; E87-K90 WeakPolarHBondContact OE2-CD 3.34Å; E87-K90 IonicContact OE2-NZ 3.35Å; K90-R93 PolarHBondContact O-N 3.35Å; K90-Q94 PolarHBondContact O-N 3.07Å; K90-Y123 PolarHBondContact NZ-OH 3.16Å
91	Y	97.8	Very high	97.9	Very high	2 Å²	2	64 Å²	64	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-67.5	-36.9	179.1	-70.8	-69.3	0	0	0	113.4	Y31 Y33 F46 A48 F60 M69 E87 T88 R93 Q94 A95	Y31-Y91 VanDerWaalsContact CD1-OH 3.31Å; Y31-Y91 WeakPolarHBondContact CD1-OH 3.5Å; Y31-Y91 VanDerWaalsContact CE1-OH 3.25Å; Y31-Y91 WeakPolarHBondContact CE1-OH 3.46Å; Y33-Y91 HydrophobicContact CD1-CE1 4.36Å; Y33-Y91 HydrophobicContact CE1-CD1 4.24Å; Y33-Y91 AromaticContact CE1-CE1 3.44Å; Y33-Y91 HydrophobicContact CE1-CE1 3.44Å; Y33-Y91 VanDerWaalsContact CE1-CE1 3.44Å; Y33-Y91 AromaticContact CZ-CE1 3.5Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.37Å; F46-Y91 AromaticContact CE1-CD1 3.95Å; F46-Y91 HydrophobicContact CE1-CD1 3.95Å; F46-Y91 HydrophobicContact CZ-CD1 4.16Å; A48-Y91 HydrophobicContact CB-CD1 3.52Å; A48-Y91 HydrophobicContact CB-CE1 3.41Å; A48-Y91 VanDerWaalsContact CB-CE1 3.41Å; F60-Y91 HydrophobicContact CB-CD2 4.5Å; F60-Y91 HydrophobicContact CB-CG 4.19Å; F60-Y91 HydrophobicContact CD2-CG 4.41Å; F60-Y91 HydrophobicContact CG-CG 4.2Å; M69-Y91 HydrophobicContact CB-CD2 4.38Å; M69-Y91 HydrophobicContact CE-CD1 4.36Å; M69-Y91 HydrophobicContact CE-CD2 3.38Å; M69-Y91 HydrophobicContact CE-CE1 3.93Å; M69-Y91 HydrophobicContact CE-CE2 2.94Å; M69-Y91 HydrophobicContact CE-CG 4.12Å; M69-Y91 HydrophobicContact CG-CD2 4.46Å; M69-Y91 HydrophobicContact CG-CE2 4.31Å; M69-Y91 HydrophobicContact SD-CE2 4.4Å; E87-Y91 HydrophobicContact CB-CD2 4.4Å; E87-Y91 HydrophobicContact CB-CE2 4.11Å; E87-Y91 WeakPolarHBondContact O-CD2 3.41Å; E87-Y91 PolarHBondContact O-N 2.63Å; T88-Y91 PolarHBondContact O-N 2.82Å; Y91-R93 VanDerWaalsContact C-N 3.35Å; Y91-R93 PolarHBondContact O-N 3.17Å; Y91-Q94 PolarHBondContact O-N 3.41Å; Y91-A95 WeakPolarHBondContact O-CB 3.19Å; Y91-A95 PolarHBondContact O-N 3.11Å
92	K	98.1	Very high	97.9	Very high	86 Å²	86	60 Å²	60	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-41.6	172.8	-75.3	-179.9	178	179.8	0	112.1	F60 P67 T88 Q89 Q96	F60-K92 HydrophobicContact CE2-CG 4.28Å; F60-K92 HydrophobicContact CZ-CG 4.04Å; P67-K92 WeakPolarHBondContact O-CE 3.38Å; P67-K92 PolarHBondContact O-NZ 3.3Å; T88-K92 HydrophobicContact CG2-CD 4.27Å; T88-K92 WeakPolarHBondContact O-CG 3.44Å; T88-K92 PolarHBondContact O-N 2.82Å; Q89-K92 PolarHBondContact O-N 2.94Å; K92-Q96 PolarHBondContact O-N 3.03Å
93	R	98.1	Very high	97.9	Very high	171 Å²	171	57.9 Å²	57.9	65%	0.645	27%	0.267	S	S	*	.	H	α-helix	trans	-65	-44.8	173.8	-73.8	-172.5	-67.2	-173.4	1.1	111.5	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CG 3.32Å; Q89-R93 PolarHBondContact O-N 3.36Å; K90-R93 PolarHBondContact O-N 3.35Å; Y91-R93 VanDerWaalsContact C-N 3.35Å; Y91-R93 PolarHBondContact O-N 3.17Å; R93-A95 VanDerWaalsContact C-N 3.33Å; R93-A95 PolarHBondContact O-N 3.2Å; R93-Q96 PolarHBondContact O-N 3.26Å; R93-Q96 VanDerWaalsContact O-N 3.11Å; R93-T97 PolarHBondContact O-N 2.97Å; R93-T97 PolarHBondContact O-OG1 3.2Å
94	Q	98.1	Very high	97.9	Very high	31 Å²	31	60.8 Å²	60.8	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-42.4	177.1	-171.7	64.9	53.4	0	0	112.2	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.74Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CE2-CB 4.44Å; F46-Q94 HydrophobicContact CE2-CG 3.85Å; F46-Q94 HydrophobicContact CZ-CB 4.07Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; K90-Q94 PolarHBondContact O-N 3.07Å; Y91-Q94 PolarHBondContact O-N 3.41Å; Q94-Q96 PolarHBondContact O-N 2.76Å; Q94-T97 CarbonylContact O-C 3.44Å; Q94-T97 WeakPolarHBondContact O-CB 3.45Å; Q94-T97 PolarHBondContact O-N 2.7Å; Q94-T97 VanDerWaalsContact O-N 3.08Å; Q94-D98 PolarHBondContact NE2-OD1 2.83Å; Q94-D98 PolarHBondContact O-N 3.24Å
95	A	98.1	Very high	97.9	Very high	18 Å²	18	59.9 Å²	59.9	15%	0.149	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-36.8	176.4	0	0	0	0	0	112.5	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.72Å; F46-A95 HydrophobicContact CD1-CB 3.81Å; F46-A95 HydrophobicContact CD2-CB 4.27Å; F46-A95 HydrophobicContact CG-CB 3.67Å; Y91-A95 WeakPolarHBondContact O-CB 3.19Å; Y91-A95 PolarHBondContact O-N 3.11Å; R93-A95 VanDerWaalsContact C-N 3.33Å; R93-A95 PolarHBondContact O-N 3.2Å; A95-R99 WeakPolarHBondContact O-CB 3.18Å; A95-R99 PolarHBondContact O-N 3.42Å
96	Q	97.9	Very high	97.9	Very high	106 Å²	106	58.9 Å²	58.9	50%	0.495	27%	0.27	S	S	.	.	H	α-helix	trans	-71.1	-40.4	173.8	-63.2	-54.7	-42.5	0	0	112.1	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.03Å; R93-Q96 PolarHBondContact O-N 3.26Å; R93-Q96 VanDerWaalsContact O-N 3.11Å; Q94-Q96 PolarHBondContact O-N 2.76Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 3.17Å; Q96-V100 WeakPolarHBondContact O-CG2 3.18Å; Q96-V100 PolarHBondContact O-N 3.38Å; Q96-V100 VanDerWaalsContact O-N 3.12Å
97	T	97.9	Very high	97.9	Very high	73 Å²	73	55 Å²	55	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-58.2	-49.9	173.5	-60.1	0	0	0	0	110.8	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 2.97Å; R93-T97 PolarHBondContact O-OG1 3.2Å; Q94-T97 CarbonylContact O-C 3.44Å; Q94-T97 WeakPolarHBondContact O-CB 3.45Å; Q94-T97 PolarHBondContact O-N 2.7Å; Q94-T97 VanDerWaalsContact O-N 3.08Å; T97-R99 VanDerWaalsContact C-N 3.3Å; T97-R99 PolarHBondContact O-N 2.63Å; T97-V100 WeakPolarHBondContact O-CB 3.47Å; T97-V100 PolarHBondContact O-N 3Å; T97-S101 PolarHBondContact O-N 3.31Å; T97-S101 PolarHBondContact O-OG 2.98Å; T97-S101 VanDerWaalsContact O-OG 3.14Å
98	D	98	Very high	97.9	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-34.1	-178.4	-72.8	3.7	0	0	0	112	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.66Å; F46-D98 HydrophobicContact CD2-CB 4.48Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.32Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.29Å; Q94-D98 PolarHBondContact NE2-OD1 2.83Å; Q94-D98 PolarHBondContact O-N 3.24Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.24Å; D98-S101 PolarHBondContact O-N 3.44Å; D98-L102 WeakPolarHBondContact O-CB 3.39Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.37Å; D98-L102 PolarHBondContact O-N 3.37Å; D98-L119 HydrophobicContact CB-CD2 4.2Å
99	R	97.8	Very high	97.9	Very high	64 Å²	64	60.1 Å²	60.1	24%	0.242	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-40.7	171	176.1	-170.2	177.7	-168.3	1.7	112.2	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.61Å; E43-R99 IonicContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH1 3.02Å; E43-R99 PolarHBondContact OE1-NH1 2.89Å; E43-R99 IonicContact OE1-NH2 3.55Å; E43-R99 PolarHBondContact OE1-NH2 2.75Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.66Å; E43-R99 IonicContact OE2-NE 3.79Å; E43-R99 PolarHBondContact OE2-NE 2.96Å; E43-R99 IonicContact OE2-NH1 3.58Å; E43-R99 IonicContact OE2-NH2 3.6Å; E43-R99 PolarHBondContact OE2-NH2 2.86Å; P44-R99 HydrophobicContact CG-CB 4.34Å; P44-R99 HydrophobicContact CG-CG 4.1Å; A95-R99 WeakPolarHBondContact O-CB 3.18Å; A95-R99 PolarHBondContact O-N 3.42Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 3.17Å; T97-R99 VanDerWaalsContact C-N 3.3Å; T97-R99 PolarHBondContact O-N 2.63Å; R99-R103 VanDerWaalsContact CZ-NH2 3.29Å; R99-R103 PolarHBondContact O-N 3.01Å
100	V	97.8	Very high	97.9	Very high	69 Å²	69	62.4 Å²	62.4	42%	0.418	30%	0.303	S	S	.	.	H	α-helix	trans	-72.2	-41.9	176	174.7	0	0	0	0	110.1	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.18Å; Q96-V100 PolarHBondContact O-N 3.38Å; Q96-V100 VanDerWaalsContact O-N 3.12Å; T97-V100 WeakPolarHBondContact O-CB 3.47Å; T97-V100 PolarHBondContact O-N 3Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.24Å; V100-L102 PolarHBondContact O-N 3.44Å; V100-R103 WeakPolarHBondContact O-CB 3.4Å; V100-R103 PolarHBondContact O-N 2.91Å; V100-R103 VanDerWaalsContact O-N 3.12Å; V100-N104 PolarHBondContact O-N 3.4Å
101	S	98.1	Very high	97.9	Very high	37 Å²	37	62.3 Å²	62.3	26%	0.259	30%	0.303	S	S	.	.	H	α-helix	trans	-58.4	-45.3	176.1	-62.5	0	0	0	0	112	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3.31Å; T97-S101 PolarHBondContact O-OG 2.98Å; T97-S101 VanDerWaalsContact O-OG 3.14Å; D98-S101 PolarHBondContact O-N 3.44Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 2.94Å; S101-N104 PolarHBondContact O-N 2.98Å; S101-N104 VanDerWaalsContact O-N 3.13Å; S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 WeakPolarHBondContact O-CD1 3.46Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.34Å; S101-L105 PolarHBondContact O-N 3.06Å
102	L	98.4	Very high	97.8	Very high	9 Å²	9	66.1 Å²	66.1	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-57.2	-39.8	174.9	-77.7	168.2	0	0	0	112.3	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.91Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.88Å; D98-L102 WeakPolarHBondContact O-CB 3.39Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.37Å; D98-L102 PolarHBondContact O-N 3.37Å; V100-L102 PolarHBondContact O-N 3.44Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 3.45Å; L102-R106 VanDerWaalsContact O-N 3.09Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.1Å; L102-Y142 HydrophobicContact CD2-CE2 4.03Å
103	R	97.3	Very high	97.6	Very high	118 Å²	118	68.3 Å²	68.3	45%	0.445	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-41.7	175.7	-74.6	-174.7	-103.5	168.9	-7.9	112.3	R99 V100 S101 G107	R99-R103 VanDerWaalsContact CZ-NH2 3.29Å; R99-R103 PolarHBondContact O-N 3.01Å; V100-R103 WeakPolarHBondContact O-CB 3.4Å; V100-R103 PolarHBondContact O-N 2.91Å; V100-R103 VanDerWaalsContact O-N 3.12Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 2.94Å; R103-G107 PolarHBondContact O-N 3.32Å
104	N	97.9	Very high	97.4	Very high	71 Å²	71	64.1 Å²	64.1	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-47.7	177.6	-70	-20	0	0	0	111.6	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 3.4Å; S101-N104 PolarHBondContact O-N 2.98Å; S101-N104 VanDerWaalsContact O-N 3.13Å; N104-G107 CarbonylContact O-C 3.56Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 3.03Å; N104-Y108 HydrophobicContact CB-CE2 4.38Å; N104-Y108 WeakPolarHBondContact O-CD1 3.24Å; N104-Y108 PolarHBondContact O-N 3.27Å
105	L	98.3	Very high	97.2	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-48.4	179.4	-72	163.1	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 WeakPolarHBondContact O-CD1 3.46Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.34Å; S101-L105 PolarHBondContact O-N 3.06Å; L105-G107 PolarHBondContact O-N 2.98Å; L105-Y108 PolarHBondContact O-N 2.92Å; L105-Y109 HydrophobicContact CD2-CE2 4.21Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.31Å; L105-Y109 PolarHBondContact O-N 3.28Å; L105-L119 HydrophobicContact CD1-CD1 3.88Å; L105-L119 HydrophobicContact CD1-CD2 4.24Å; L105-L119 HydrophobicContact CD1-CG 4.49Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.1Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.72Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.1Å; L105-Y142 HydrophobicContact CD2-CG 4.43Å; L105-Y142 HydrophobicContact CG-CD2 4.31Å; L105-Y142 HydrophobicContact CG-CE2 4.39Å; L105-Y147 HydrophobicContact CD2-CD1 4.38Å; L105-Y147 HydrophobicContact CD2-CD2 3.95Å; L105-Y147 HydrophobicContact CD2-CE1 3.85Å; L105-Y147 HydrophobicContact CD2-CE2 3.34Å; L105-Y147 HydrophobicContact CD2-CG 4.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.32Å
106	R	97.6	Very high	97.1	Very high	60 Å²	60	66.9 Å²	66.9	23%	0.226	37%	0.369	C	S	.	.	H	α-helix	trans	-52.5	-42.3	173.4	-173.2	-171.3	66.3	176.4	10.2	112	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 3.45Å; L102-R106 VanDerWaalsContact O-N 3.09Å; R106-N110 PolarHBondContact O-N 3.4Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.39Å; R106-Q111 PolarHBondContact O-N 3Å; R106-E113 IonicContact CZ-OE1 3.66Å; R106-E113 IonicContact NH1-OE1 2.63Å; R106-E113 PolarHBondContact NH1-OE1 3.27Å; R106-E113 IonicContact NH2-OE1 3.67Å; R106-E113 PolarHBondContact NH2-OE1 3.01Å
107	G	97.6	Very high	97.1	Very high	42 Å²	42	62.6 Å²	62.6	43%	0.433	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-45.9	175	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.32Å; N104-G107 CarbonylContact O-C 3.56Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 3.03Å; L105-G107 PolarHBondContact O-N 2.98Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.44Å; G107-N110 PolarHBondContact O-N 3.47Å; G107-N110 VanDerWaalsContact O-N 3.11Å
108	Y	98.1	Very high	97.2	Very high	62 Å²	62	61 Å²	61	24%	0.243	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-34.3	-180	-62.1	-14.1	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.38Å; N104-Y108 WeakPolarHBondContact O-CD1 3.24Å; N104-Y108 PolarHBondContact O-N 3.27Å; L105-Y108 PolarHBondContact O-N 2.92Å; Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CD2-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.31Å; Y108-I166 HydrophobicContact CE2-CB 4.29Å; Y108-I166 HydrophobicContact CE2-CG2 4.07Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 3.27Å
109	Y	98.2	Very high	97.2	Very high	67 Å²	67	61.2 Å²	61.2	26%	0.263	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.9	177.9	-68.7	-70.4	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.21Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.31Å; L105-Y109 PolarHBondContact O-N 3.28Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.44Å; Y109-Q111 PolarHBondContact O-N 3.34Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.55Å; Y109-Y142 HydrophobicContact CE2-CD1 3.55Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.32Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.32Å; Y109-D161 PolarHBondContact OH-OD2 2.85Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	97.3	Very high	97.3	Very high	152 Å²	152	62 Å²	62	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	39.5	-177.3	-57.7	-56.9	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.4Å; G107-N110 PolarHBondContact O-N 3.47Å; G107-N110 VanDerWaalsContact O-N 3.11Å
111	Q	97.8	Very high	97.3	Very high	58 Å²	58	60 Å²	60	27%	0.271	33%	0.332	S	S	.	.			trans	-86.7	151.3	-176	-70.4	169.8	-32.3	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.39Å; R106-Q111 PolarHBondContact O-N 3Å; Y109-Q111 PolarHBondContact O-N 3.34Å; Q111-H117 PolarHBondContact NE2-CE1 3.41Å; Q111-H117 PolarHBondContact OE1-CE1 2.91Å; Q111-H117 PolarHBondContact OE1-ND1 3.12Å; Q111-Y142 PolarHBondContact OE1-OH 3.15Å; Q111-D143 PolarHBondContact NE2-OD2 3.02Å
112	S	95.9	Very high	97.3	Very high	82 Å²	82	59.1 Å²	59.1	57%	0.573	32%	0.324	S	S	*	.			trans	-67	147.3	178.8	176	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 2.93Å; S112-A114 PolarHBondContact OG-N 3.11Å; S112-G115 PolarHBondContact O-N 3.41Å
113	E	93.4	Very high	97.4	Very high	132 Å²	132	58.9 Å²	58.9	62%	0.617	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.6	175	-55.4	-151.9	127.1	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.13Å; P39-E113 VanDerWaalsContact CG-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; R106-E113 IonicContact CZ-OE1 3.66Å; R106-E113 IonicContact NH1-OE1 2.63Å; R106-E113 PolarHBondContact NH1-OE1 3.27Å; R106-E113 IonicContact NH2-OE1 3.67Å; R106-E113 PolarHBondContact NH2-OE1 3.01Å; E113-G115 VanDerWaalsContact C-N 3.27Å
114	A	93.5	Very high	97.4	Very high	82 Å²	82	53.3 Å²	53.3	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-13.4	178	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 2.93Å; S112-A114 PolarHBondContact OG-N 3.11Å
115	G	93.8	Very high	97.5	Very high	25 Å²	25	49.9 Å²	49.9	26%	0.258	28%	0.283	S	S	.	.			trans	-74	134.1	-179.4	0	0	0	0	0	112.9	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.34Å; S112-G115 PolarHBondContact O-N 3.41Å; E113-G115 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-CD2 2.93Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	97.1	Very high	97.5	Very high	83 Å²	83	51 Å²	51	58%	0.58	29%	0.289	S	S	*	.			trans	-81.7	133.3	165.1	-172.9	0	0	0	0	108.8	S37	S37-S116 PolarHBondContact O-OG 2.94Å
117	H	98.4	Very high	97.5	Very high	16 Å²	16	48.3 Å²	48.3	7%	0.074	28%	0.279	C	S	.	.			trans	-133.1	150.5	-176	-64.2	-70.9	0	0	0	110.6	M36 S37 L102 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.44Å; S37-H117 PolarHBondContact N-O 2.83Å; S37-H117 PolarHBondContact OG-N 3.41Å; S37-H117 PolarHBondContact OG-O 3.19Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; Q111-H117 PolarHBondContact NE2-CE1 3.41Å; Q111-H117 PolarHBondContact OE1-CE1 2.91Å; Q111-H117 PolarHBondContact OE1-ND1 3.12Å; G115-H117 PolarHBondContact O-CD2 2.93Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.49Å; H117-Y142 AromaticContact CG-CZ 3.95Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.6Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 IonicContact CE1-OD2 3.37Å; H117-D143 IonicContact CG-OD1 3.79Å; H117-D143 IonicContact CG-OD2 3.62Å; H117-D143 IonicContact ND1-OD1 2.72Å; H117-D143 IonicContact ND1-OD2 3.03Å; H117-D143 PolarHBondContact ND1-OD2 3.46Å
118	T	98.8	Very high	97.3	Very high	40 Å²	40	46.5 Å²	46.5	25%	0.245	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.4	-177.8	-54	0	0	0	0	110.1	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.91Å; A35-T118 WeakPolarHBondContact O-CA 3.17Å; M36-T118 HydrophobicContact CG-CG2 4.07Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.22Å; T118-Y142 WeakPolarHBondContact O-CD2 3.06Å; T118-D143 PolarHBondContact N-OD1 2.83Å; T118-D143 PolarHBondContact O-N 3.41Å
119	L	98.8	Very high	97.1	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126	168.6	174.1	62.5	0	0	0	108.3	T34 A35 D98 L102 L105	T34-L119 WeakPolarHBondContact CA-O 3.35Å; A35-L119 HydrophobicContact CB-CB 4.42Å; A35-L119 PolarHBondContact N-O 3.18Å; A35-L119 PolarHBondContact O-N 3.36Å; D98-L119 HydrophobicContact CB-CD2 4.2Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.1Å; L105-L119 HydrophobicContact CD1-CD1 3.88Å; L105-L119 HydrophobicContact CD1-CD2 4.24Å; L105-L119 HydrophobicContact CD1-CG 4.49Å
120	Q	98.8	Very high	96.8	Very high	79 Å²	79	50.1 Å²	50.1	37%	0.369	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.8	176.7	-65.7	172.8	-90.6	0	0	109.7	Y33 T34 T118 S140 A141	Y33-Q120 CarbonylContact O-C 3.57Å; Y33-Q120 VanDerWaalsContact O-CA 3.25Å; Y33-Q120 WeakPolarHBondContact O-CA 3.19Å; T34-Q120 HydrophobicContact CG2-CG 4.15Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.46Å; Q120-S140 WeakPolarHBondContact O-CB 3.41Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 3.36Å; Q120-A141 PolarHBondContact O-N 2.76Å
121	R	98.6	Very high	96.5	Very high	27 Å²	27	43.4 Å²	43.4	10%	0.102	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.6	172.8	-173	179.5	-170	168.4	14.4	110.2	F32 Y33 D138 Q139 W180	F32-R121 CarbonylContact C-O 3.55Å; F32-R121 WeakPolarHBondContact CA-O 3.17Å; Y33-R121 PolarHBondContact N-O 2.92Å; Y33-R121 PolarHBondContact O-N 3.31Å; R121-D138 IonicContact CZ-OD1 3.01Å; R121-D138 VanDerWaalsContact CZ-OD1 3.3Å; R121-D138 IonicContact CZ-OD2 3.56Å; R121-D138 IonicContact NE-OD1 2.8Å; R121-D138 PolarHBondContact NE-OD1 2.86Å; R121-D138 IonicContact NE-OD2 2.74Å; R121-D138 IonicContact NH2-OD1 3.76Å; R121-D138 PolarHBondContact NH2-OD1 2.94Å; R121-D138 IonicContact NH2-OD2 3.32Å; R121-D138 PolarHBondContact NH2-OD2 2.93Å; R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 WeakPolarHBondContact CA-O 3.38Å; R121-W180 VanDerWaalsContact CZ-CZ2 3.42Å
122	M	98.8	Very high	96.4	Very high	20 Å²	20	48.8 Å²	48.8	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.1	168.7	-174.9	-77.2	-70.6	0	0	108.3	Y31 F32 H137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.25Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.12Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 4Å; M122-H137 HydrophobicContact CE-CB 3.92Å; M122-H137 HydrophobicContact SD-CB 4.07Å; M122-D138 WeakPolarHBondContact O-CA 2.98Å; M122-Q139 HydrophobicContact CB-CG 4.21Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 VanDerWaalsContact CE-NE2 3.34Å; M122-Q139 PolarHBondContact N-O 3.27Å; M122-Q139 PolarHBondContact O-N 2.87Å
123	Y	98.8	Very high	96.5	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.3	170.2	73.2	-97.4	0	0	0	110.5	Y31 Y33 K90 H137 W180 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.26Å; Y31-Y123 AromaticContact CD2-CE2 3.41Å; Y31-Y123 HydrophobicContact CD2-CE2 3.41Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.41Å; Y31-Y123 AromaticContact CD2-CZ 3.65Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.33Å; Y31-Y123 HydrophobicContact CE2-CE2 4.18Å; Y31-Y123 HydrophobicContact CG-CE1 4.45Å; Y31-Y123 AromaticContact CG-CE2 4Å; Y31-Y123 HydrophobicContact CG-CE2 4Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 3.41Å; Y31-Y123 PolarHBondContact O-N 2.83Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD2-CE1 4.37Å; Y33-Y123 HydrophobicContact CE1-CE1 4.07Å; Y33-Y123 HydrophobicContact CE2-CD1 4.44Å; Y33-Y123 AromaticContact CE2-CE1 3.57Å; Y33-Y123 HydrophobicContact CE2-CE1 3.57Å; Y33-Y123 AromaticContact CZ-CE1 3.42Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.42Å; Y33-Y123 AromaticContact CZ-CZ 3.95Å; Y33-Y123 WeakPolarHBondContact OH-CE1 3.33Å; Y33-Y123 PolarHBondContact OH-OH 2.8Å; K90-Y123 PolarHBondContact NZ-OH 3.16Å; Y123-H137 CarbonylContact C-O 3.53Å; Y123-H137 WeakPolarHBondContact CA-O 3.18Å; Y123-H137 WeakPolarHBondContact CB-O 3.41Å; Y123-W180 HydrophobicContact CD1-CH2 4.34Å; Y123-W180 HydrophobicContact CD1-CZ3 4.4Å; Y123-W180 AromaticContact CD2-CZ3 3.93Å; Y123-W180 HydrophobicContact CD2-CZ3 3.93Å; Y123-W180 HydrophobicContact CE2-CZ3 4.41Å; Y123-W180 HydrophobicContact CG-CH2 4.34Å; Y123-W180 AromaticContact CG-CZ3 3.95Å; Y123-W180 HydrophobicContact CG-CZ3 3.95Å; Y123-Y183 AromaticContact CD2-CE1 3.83Å; Y123-Y183 HydrophobicContact CD2-CE1 3.83Å; Y123-Y183 AromaticContact CE2-CE1 3.66Å; Y123-Y183 HydrophobicContact CE2-CE1 3.66Å; Y123-Y183 AromaticContact CE2-CZ 3.93Å
124	G	98.7	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-176.5	-179	0	0	0	0	0	113.9	M29 H137 L184	M29-G124 CarbonylContact O-C 3.48Å; M29-G124 WeakPolarHBondContact O-CA 3.45Å; G124-H137 PolarHBondContact N-O 3.02Å; G124-H137 PolarHBondContact O-N 3.33Å; G124-L184 WeakPolarHBondContact O-CD2 3.37Å
125	C	98.7	Very high	96.9	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	-133.4	145.9	-177.5	51.2	0	0	0	0	110.6	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.38Å; M29-C125 PolarHBondContact N-O 2.87Å; M29-C125 PolarHBondContact O-N 2.79Å; C125-L133 HydrophobicContact CB-CD1 3.59Å; C125-R135 CarbonylContact C-O 3.56Å; C125-R135 WeakPolarHBondContact CA-O 3.32Å; C125-C188 HydrophobicContact CB-CB 3.88Å; C125-C188 WeakPolarHBondContact CB-SG 3.43Å; C125-C188 PolarHBondContact N-SG 2.95Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 PolarHBondContact SG-O 2.85Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.76Å; C125-V189 HydrophobicContact CB-CG2 4.47Å
126	D	98.4	Very high	97.1	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.16	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.6	171.9	-52.4	-27.3	0	0	0	108.1	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.5Å; S28-D126 WeakPolarHBondContact CB-OD1 3.26Å; R30-D126 IonicContact CZ-OD1 3.94Å; R30-D126 IonicContact NE-OD1 3.54Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 3.85Å; R30-D126 PolarHBondContact NH2-OD1 3.03Å; R30-D126 IonicContact NH2-OD2 2.82Å; R30-D126 PolarHBondContact NH2-OD2 2.74Å; D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 2.83Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.38Å; D126-R135 PolarHBondContact O-N 2.99Å; D126-H137 IonicContact OD1-NE2 2.76Å; D126-H137 IonicContact OD2-CD2 3.89Å; D126-H137 IonicContact OD2-CE1 2.7Å; D126-H137 IonicContact OD2-NE2 2.98Å; D126-H137 PolarHBondContact OD2-NE2 3.24Å
127	V	97.7	Very high	97.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.7	179.3	-60.8	0	0	0	0	111.2	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CB-O 3.49Å; H27-V127 HydrophobicContact CB-CG2 4.05Å; H27-V127 PolarHBondContact N-O 3.17Å; H27-V127 PolarHBondContact O-N 3.1Å; V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.2Å; V127-R132 WeakPolarHBondContact CB-O 3.41Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 4.03Å; V127-V189 HydrophobicContact CG1-CG2 3.95Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.22Å
128	G	95	Very high	97.2	Very high	4 Å²	4	43 Å²	43	4%	0.041	21%	0.214	C	C	.	.			trans	-79.7	-179.3	174.3	0	0	0	0	0	112.4	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.56Å; G128-D130 PolarHBondContact O-N 2.85Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 3.22Å; G128-R132 PolarHBondContact N-O 2.82Å
129	P	92.2	Very high	97.2	Very high	107 Å²	107	44.9 Å²	44.9	70%	0.695	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.8	176.6	-23.3	32.8	0	0	0	114.1	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.42Å; G25-P129 WeakPolarHBondContact O-CA 3.17Å; P129-G131 PolarHBondContact O-N 2.85Å
130	D	92	Very high	97.2	Very high	98 Å²	98	45.1 Å²	45.1	52%	0.524	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.9	173.9	70.5	-9.9	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.85Å; D130-R132 PolarHBondContact O-N 2.88Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 PolarHBondContact OD1-N 2.99Å; D130-R132 WeakPolarHBondContact OD2-CD 3.22Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-CZ 3.5Å; D130-R132 IonicContact OD2-NE 3.72Å; D130-R132 IonicContact OD2-NH1 2.66Å
131	G	92.3	Very high	97.2	Very high	11 Å²	11	42.1 Å²	42.1	11%	0.113	21%	0.212	C	C	.	.			trans	72.5	4.4	-177.9	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 3.22Å; P129-G131 PolarHBondContact O-N 2.85Å; G131-V189 WeakPolarHBondContact O-CG1 3.49Å; G131-R193 PolarHBondContact O-NE 2.82Å; G131-R193 PolarHBondContact O-NH2 3.41Å
132	R	95.6	Very high	97.2	Very high	171 Å²	171	41.4 Å²	41.4	65%	0.645	21%	0.209	S	C	*	.			trans	-78.6	150.4	179.8	-64.3	-174.7	-176.7	162.3	-2.8	111.1	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.2Å; V127-R132 WeakPolarHBondContact CB-O 3.41Å; G128-R132 PolarHBondContact N-O 2.82Å; D130-R132 PolarHBondContact O-N 2.88Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 PolarHBondContact OD1-N 2.99Å; D130-R132 WeakPolarHBondContact OD2-CD 3.22Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-CZ 3.5Å; D130-R132 IonicContact OD2-NE 3.72Å; D130-R132 IonicContact OD2-NH1 2.66Å; R132-L134 PolarHBondContact O-N 2.81Å
133	L	97.6	Very high	97.1	Very high	49 Å²	49	43.5 Å²	43.5	26%	0.257	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	124.7	176	-174.7	72.4	0	0	0	109.9	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.59Å; L133-R135 WeakPolarHBondContact CD1-O 3.39Å; L133-L154 HydrophobicContact CD2-CD1 4.12Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.86Å
134	L	97.3	Very high	97.1	Very high	115 Å²	115	46 Å²	46	60%	0.602	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	-44.9	167.9	-65.2	178.6	0	0	0	110.7	D126 R132	D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 2.83Å; R132-L134 PolarHBondContact O-N 2.81Å
135	R	97.4	Very high	97.1	Very high	106 Å²	106	53.6 Å²	53.6	40%	0.4	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	137.1	-175.6	-172.2	172.5	176.4	137.1	9.1	111.5	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.56Å; C125-R135 WeakPolarHBondContact CA-O 3.32Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.38Å; D126-R135 PolarHBondContact O-N 2.99Å; L133-R135 WeakPolarHBondContact CD1-O 3.39Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 3.45Å; R135-E152 IonicContact CZ-OE1 2.97Å; R135-E152 IonicContact NH1-OE1 3.68Å; R135-E152 PolarHBondContact NH1-OE1 2.95Å; R135-E152 IonicContact NH2-OE1 2.77Å; R135-E152 PolarHBondContact NH2-OE1 2.99Å
136	G	98.3	Very high	97.1	Very high	6 Å²	6	59.8 Å²	59.8	6%	0.062	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.8	168.2	0	0	0	0	0	110.9
137	H	98.4	Very high	97.1	Very high	20 Å²	20	58.8 Å²	58.8	9%	0.093	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.5	-179.3	-54.6	-95.6	0	0	0	110.1	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.93Å; R30-H137 VanDerWaalsContact NH2-NE2 3.14Å; M122-H137 HydrophobicContact CE-CB 3.92Å; M122-H137 HydrophobicContact SD-CB 4.07Å; Y123-H137 CarbonylContact C-O 3.53Å; Y123-H137 WeakPolarHBondContact CA-O 3.18Å; Y123-H137 WeakPolarHBondContact CB-O 3.41Å; G124-H137 PolarHBondContact N-O 3.02Å; G124-H137 PolarHBondContact O-N 3.33Å; D126-H137 IonicContact OD1-NE2 2.76Å; D126-H137 IonicContact OD2-CD2 3.89Å; D126-H137 IonicContact OD2-CE1 2.7Å; D126-H137 IonicContact OD2-NE2 2.98Å; D126-H137 PolarHBondContact OD2-NE2 3.24Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 3.45Å
138	D	98.5	Very high	97.2	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.011	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	109.6	161.7	178.9	26.1	0	0	0	108.9	R121 M122 L150 W180	R121-D138 IonicContact CZ-OD1 3.01Å; R121-D138 VanDerWaalsContact CZ-OD1 3.3Å; R121-D138 IonicContact CZ-OD2 3.56Å; R121-D138 IonicContact NE-OD1 2.8Å; R121-D138 PolarHBondContact NE-OD1 2.86Å; R121-D138 IonicContact NE-OD2 2.74Å; R121-D138 IonicContact NH2-OD1 3.76Å; R121-D138 PolarHBondContact NH2-OD1 2.94Å; R121-D138 IonicContact NH2-OD2 3.32Å; R121-D138 PolarHBondContact NH2-OD2 2.93Å; M122-D138 WeakPolarHBondContact O-CA 2.98Å; D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.26Å; D138-L150 WeakPolarHBondContact O-CB 3.37Å; D138-L150 PolarHBondContact O-N 2.97Å; D138-W180 HydrophobicContact CB-CD2 4.4Å; D138-W180 HydrophobicContact CB-CE3 4.32Å
139	Q	98.6	Very high	97.3	Very high	81 Å²	81	60 Å²	60	38%	0.379	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.9	-176	63	-171	31.3	0	0	111.2	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 WeakPolarHBondContact CA-O 3.38Å; M122-Q139 HydrophobicContact CB-CG 4.21Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 VanDerWaalsContact CE-NE2 3.34Å; M122-Q139 PolarHBondContact N-O 3.27Å; M122-Q139 PolarHBondContact O-N 2.87Å; Q139-I148 WeakPolarHBondContact CA-O 3.38Å; Q139-A149 HydrophobicContact CB-CB 3.82Å
140	S	98.7	Very high	97.7	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.112	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146	-179.6	-59.3	0	0	0	0	111	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.46Å; Q120-S140 WeakPolarHBondContact O-CB 3.41Å; S140-Y147 WeakPolarHBondContact O-CB 3.36Å; S140-Y147 PolarHBondContact O-N 2.87Å; S140-I148 PolarHBondContact N-O 2.83Å; S140-I148 PolarHBondContact O-N 2.92Å
141	A	98.8	Very high	98	Very high	16 Å²	16	53 Å²	53	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	176.4	0	0	0	0	0	110.2	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 3.36Å; Q120-A141 PolarHBondContact O-N 2.76Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.22Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.11Å
142	Y	98.8	Very high	98.2	Very high	11 Å²	11	58.9 Å²	58.9	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.1	177.3	-175.3	-116.5	0	0	0	110	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.03Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.1Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.72Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.1Å; L105-Y142 HydrophobicContact CD2-CG 4.43Å; L105-Y142 HydrophobicContact CG-CD2 4.31Å; L105-Y142 HydrophobicContact CG-CE2 4.39Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.55Å; Y109-Y142 HydrophobicContact CE2-CD1 3.55Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Q111-Y142 PolarHBondContact OE1-OH 3.15Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.49Å; H117-Y142 AromaticContact CG-CZ 3.95Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.6Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.22Å; T118-Y142 WeakPolarHBondContact O-CD2 3.06Å; Y142-G144 PolarHBondContact O-N 3.07Å; Y142-K145 PolarHBondContact N-O 3.45Å; Y142-K145 PolarHBondContact O-N 2.97Å
143	D	98.4	Very high	98.3	Very high	64 Å²	64	54.5 Å²	54.5	34%	0.342	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	39.3	-174.7	-66.1	-23.4	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.02Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 IonicContact CE1-OD2 3.37Å; H117-D143 IonicContact CG-OD1 3.79Å; H117-D143 IonicContact CG-OD2 3.62Å; H117-D143 IonicContact ND1-OD1 2.72Å; H117-D143 IonicContact ND1-OD2 3.03Å; H117-D143 PolarHBondContact ND1-OD2 3.46Å; T118-D143 PolarHBondContact N-OD1 2.83Å; T118-D143 PolarHBondContact O-N 3.41Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.29Å
144	G	97.6	Very high	98.3	Very high	58 Å²	58	52.6 Å²	52.6	60%	0.598	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	7.6	177.6	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.07Å
145	K	98.6	Very high	98.4	Very high	159 Å²	159	50.5 Å²	50.5	69%	0.691	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.4	176.6	-61.1	-179.4	-177	178.8	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.22Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.11Å; Y142-K145 PolarHBondContact N-O 3.45Å; Y142-K145 PolarHBondContact O-N 2.97Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.29Å; K145-Y147 PolarHBondContact O-N 3.45Å
146	D	98.7	Very high	98.4	Very high	129 Å²	129	47.3 Å²	47.3	69%	0.69	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.9	136.3	174.5	-65.3	-36.4	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.48Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å
147	Y	98.8	Very high	98.4	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.039	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-61.9	-179.7	179.2	-106.3	0	0	0	110.4	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.38Å; L105-Y147 HydrophobicContact CD2-CD2 3.95Å; L105-Y147 HydrophobicContact CD2-CE1 3.85Å; L105-Y147 HydrophobicContact CD2-CE2 3.34Å; L105-Y147 HydrophobicContact CD2-CG 4.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.32Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; S140-Y147 WeakPolarHBondContact O-CB 3.36Å; S140-Y147 PolarHBondContact O-N 2.87Å; K145-Y147 PolarHBondContact O-N 3.45Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 2.94Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.87Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.81Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	141.7	179.5	-160.8	171.5	0	0	0	110.5	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.38Å; S140-I148 PolarHBondContact N-O 2.83Å; S140-I148 PolarHBondContact O-N 2.92Å; I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.26Å; I148-W157 HydrophobicContact CD1-CG 4.5Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; I148-T158 WeakPolarHBondContact CA-O 3.48Å; I148-T167 HydrophobicContact CD1-CG2 3.98Å; I148-Q168 HydrophobicContact CD1-CB 3.99Å; I148-W171 HydrophobicContact CD1-CE3 3.98Å; I148-W171 HydrophobicContact CD1-CZ3 4.21Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4.01Å; I148-W171 HydrophobicContact CG2-CZ3 3.71Å
149	A	98.8	Very high	98.4	Very high	28 Å²	28	51.3 Å²	51.3	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.1	178.1	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.82Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; A149-T158 PolarHBondContact N-O 3.4Å; A149-T158 PolarHBondContact O-N 3.34Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.8	168	-175.2	65.7	0	0	0	108.4	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.26Å; D138-L150 WeakPolarHBondContact O-CB 3.37Å; D138-L150 PolarHBondContact O-N 2.97Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.3Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.04Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-W157 HydrophobicContact CG-CH2 4.49Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; L150-A177 HydrophobicContact CD1-CB 3.97Å; L150-W180 HydrophobicContact CD2-CB 3.99Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å
151	N	98.6	Very high	98.4	Very high	42 Å²	42	52.2 Å²	52.2	23%	0.225	31%	0.308	C	S	.	.			trans	-72.1	162.8	180	-67.5	-29.4	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.33Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 PolarHBondContact O-N 3.35Å; N151-S156 WeakPolarHBondContact CB-O 3.4Å; N151-S156 WeakPolarHBondContact CB-OG 3.44Å; N151-S156 PolarHBondContact N-O 3.45Å; N151-S156 PolarHBondContact ND2-OG 3.23Å; N151-T158 PolarHBondContact ND2-OG1 3.47Å; N151-T158 WeakPolarHBondContact OD1-CB 3.46Å; N151-T158 PolarHBondContact OD1-OG1 3.15Å
152	E	97.7	Very high	98.4	Very high	135 Å²	135	56.8 Å²	56.8	63%	0.631	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.6	-179	-66.3	-179	-173.6	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 2.97Å; R135-E152 IonicContact NH1-OE1 3.68Å; R135-E152 PolarHBondContact NH1-OE1 2.95Å; R135-E152 IonicContact NH2-OE1 2.77Å; R135-E152 PolarHBondContact NH2-OE1 2.99Å; E152-L154 PolarHBondContact O-N 3.5Å
153	D	97.6	Very high	98.4	Very high	79 Å²	79	56.5 Å²	56.5	42%	0.422	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8	174.1	68.8	21.8	0	0	0	114.2	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.33Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-S155 PolarHBondContact O-N 2.9Å; D153-S155 WeakPolarHBondContact OD1-CA 3.48Å; D153-S155 PolarHBondContact OD1-N 3.38Å; D153-S155 PolarHBondContact OD1-OG 3.06Å; D153-S155 PolarHBondContact OD2-OG 3.12Å; D153-S156 VanDerWaalsContact CG-OG 3.28Å; D153-S156 PolarHBondContact OD1-N 3.33Å; D153-S156 PolarHBondContact OD1-OG 2.92Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
154	L	98.1	Very high	98.4	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.047	32%	0.318	C	S	.	.	S	Bend	trans	52.9	30.6	-176.6	-52.6	-178.3	0	0	0	113.9	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.12Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.3Å; N151-L154 PolarHBondContact O-N 3.35Å; E152-L154 PolarHBondContact O-N 3.5Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.96Å; L154-R181 HydrophobicContact CD1-CG 4.32Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	S	97.8	Very high	98.4	Very high	70 Å²	70	54.2 Å²	54.2	49%	0.49	31%	0.306	S	S	.	.	S	Bend	trans	-140.4	-25	-175.5	69.6	0	0	0	0	113.7	D153 A177	D153-S155 PolarHBondContact O-N 2.9Å; D153-S155 WeakPolarHBondContact OD1-CA 3.48Å; D153-S155 PolarHBondContact OD1-N 3.38Å; D153-S155 PolarHBondContact OD1-OG 3.06Å; D153-S155 PolarHBondContact OD2-OG 3.12Å; S155-A177 WeakPolarHBondContact O-CB 3.26Å
156	S	98	Very high	98.4	Very high	39 Å²	39	49.5 Å²	49.5	27%	0.273	29%	0.288	S	S	.	.			trans	-121.4	161.5	-178.5	69.5	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.4Å; N151-S156 WeakPolarHBondContact CB-OG 3.44Å; N151-S156 PolarHBondContact N-O 3.45Å; N151-S156 PolarHBondContact ND2-OG 3.23Å; D153-S156 VanDerWaalsContact CG-OG 3.28Å; D153-S156 PolarHBondContact OD1-N 3.33Å; D153-S156 PolarHBondContact OD1-OG 2.92Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
157	W	98.7	Very high	98.4	Very high	11 Å²	11	44.2 Å²	44.2	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.2	-177.1	-60.4	92.1	0	0	0	111.3	I148 A149 L150 Q168 W171 E176 A177	I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.26Å; I148-W157 HydrophobicContact CD1-CG 4.5Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.04Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-W157 HydrophobicContact CG-CH2 4.49Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; W157-Q168 HydrophobicContact CB-CG 4.16Å; W157-Q168 PolarHBondContact O-NE2 3.37Å; W157-W171 AromaticContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CZ3 4.4Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.73Å; W157-W171 HydrophobicContact CE3-CE3 3.73Å; W157-W171 AromaticContact CE3-CZ3 3.8Å; W157-W171 HydrophobicContact CE3-CZ3 3.8Å; W157-W171 AromaticContact CH2-CE3 3.41Å; W157-W171 HydrophobicContact CH2-CE3 3.41Å; W157-W171 VanDerWaalsContact CH2-CE3 3.41Å; W157-W171 AromaticContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CH2-CZ3 3.41Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CZ2-CD2 4.4Å; W157-W171 AromaticContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; W157-E176 HydrophobicContact CZ2-CB 4.23Å; W157-A177 HydrophobicContact CZ2-CB 4.26Å
158	T	98.8	Very high	98.4	Very high	79 Å²	79	45.7 Å²	45.7	49%	0.485	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.3	166.1	-66.7	0	0	0	0	109.3	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.48Å; A149-T158 PolarHBondContact N-O 3.4Å; A149-T158 PolarHBondContact O-N 3.34Å; N151-T158 PolarHBondContact ND2-OG1 3.47Å; N151-T158 WeakPolarHBondContact OD1-CB 3.46Å; N151-T158 PolarHBondContact OD1-OG1 3.15Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	52.7 Å²	52.7	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.9	175.3	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 3.99Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.6	Very high	98.4	Very high	61 Å²	61	56.6 Å²	56.6	50%	0.504	31%	0.305	S	S	.	.	S	Bend	trans	-74.8	-30.7	-176.5	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.48Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 2.94Å
161	D	98.4	Very high	98.3	Very high	55 Å²	55	58.6 Å²	58.6	29%	0.294	31%	0.312	S	S	.	.	S	Bend	trans	-152.1	-175.8	-178.1	67.3	29.5	0	0	0	113	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.32Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.32Å; Y109-D161 PolarHBondContact OH-OD2 2.85Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.66Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.33Å; D161-A163 PolarHBondContact OD1-N 3.25Å; D161-A164 PolarHBondContact O-N 2.69Å; D161-A164 PolarHBondContact OD1-N 2.91Å; D161-Q165 WeakPolarHBondContact O-CG 3.36Å; D161-Q165 PolarHBondContact O-N 2.95Å
162	T	98.3	Very high	98.3	Very high	112 Å²	112	61 Å²	61	69%	0.687	32%	0.322	S	S	*	.	H	α-helix	trans	-65.2	-27.7	-179	51.6	0	0	0	0	114
163	A	98.2	Very high	98.4	Very high	5 Å²	5	58.8 Å²	58.8	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-73.5	-43.6	175.1	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.87Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.66Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.33Å; D161-A163 PolarHBondContact OD1-N 3.25Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.72Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.38Å; A163-I166 PolarHBondContact O-N 3.21Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-34.3	174	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 2.69Å; D161-A164 PolarHBondContact OD1-N 2.91Å; A164-I166 PolarHBondContact O-N 3.15Å; A164-T167 WeakPolarHBondContact O-CB 3.44Å; A164-T167 PolarHBondContact O-N 3.39Å; A164-Q168 PolarHBondContact O-N 3.23Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	64.4 Å²	64.4	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-59.8	-27.6	173.4	-73.1	174.3	8.2	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.99Å; D161-Q165 WeakPolarHBondContact O-CG 3.36Å; D161-Q165 PolarHBondContact O-N 2.95Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.72Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.03Å; Q165-R169 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.4	Very high	98.4	Very high	59 Å²	59	63.6 Å²	63.6	30%	0.303	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-44.7	174.1	-57.5	170.8	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CD2-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.31Å; Y108-I166 HydrophobicContact CE2-CB 4.29Å; Y108-I166 HydrophobicContact CE2-CG2 4.07Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.38Å; A163-I166 PolarHBondContact O-N 3.21Å; A164-I166 PolarHBondContact O-N 3.15Å; I166-K170 WeakPolarHBondContact O-CG 3.27Å; I166-K170 PolarHBondContact O-N 2.04Å
167	T	98.4	Very high	98.4	Very high	19 Å²	19	62.1 Å²	62.1	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-45.8	174.9	-68.3	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.81Å; I148-T167 HydrophobicContact CD1-CG2 3.98Å; A164-T167 WeakPolarHBondContact O-CB 3.44Å; A164-T167 PolarHBondContact O-N 3.39Å; T167-R169 PolarHBondContact O-N 3.49Å; T167-K170 WeakPolarHBondContact O-CB 3.3Å; T167-K170 PolarHBondContact O-N 2.76Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.17Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.38Å; T167-W171 HydrophobicContact CG2-CZ2 3.91Å; T167-W171 HydrophobicContact CG2-CZ3 4.48Å; T167-W171 PolarHBondContact O-N 3.22Å
168	Q	98.6	Very high	98.4	Very high	40 Å²	40	66.1 Å²	66.1	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-51.4	-53.5	177.8	175.6	174.1	16.4	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.99Å; W157-Q168 HydrophobicContact CB-CG 4.16Å; W157-Q168 PolarHBondContact O-NE2 3.37Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 3.23Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.01Å; Q168-W171 PolarHBondContact O-N 3.45Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 3.25Å; Q168-E172 WeakPolarHBondContact O-CB 3.42Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 2.94Å
169	R	98.7	Very high	98.3	Very high	151 Å²	151	68.3 Å²	68.3	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-59.4	-37	179.9	-68.8	170.7	-165.3	150.7	8.2	112.7	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.03Å; Q165-R169 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.49Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.05Å; R169-A173 PolarHBondContact O-N 2.97Å
170	K	98.2	Very high	98.3	Very high	111 Å²	111	69.1 Å²	69.1	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-67.9	-43.9	176.8	-71.8	176.5	176.9	-174.8	0	111.5	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.27Å; I166-K170 WeakPolarHBondContact O-CG 3.27Å; I166-K170 PolarHBondContact O-N 2.04Å; T167-K170 WeakPolarHBondContact O-CB 3.3Å; T167-K170 PolarHBondContact O-N 2.76Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.01Å; K170-A173 PolarHBondContact O-N 2.81Å; K170-A174 WeakPolarHBondContact O-CB 3.35Å; K170-A174 PolarHBondContact O-N 2.91Å
171	W	98.3	Very high	98.3	Very high	56 Å²	56	71.4 Å²	71.4	21%	0.212	35%	0.349	C	S	.	.	H	α-helix	trans	-69.9	-37.5	-179.4	-74.9	5.3	0	0	0	112.3	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.98Å; I148-W171 HydrophobicContact CD1-CZ3 4.21Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4.01Å; I148-W171 HydrophobicContact CG2-CZ3 3.71Å; W157-W171 AromaticContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CZ3 4.4Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.73Å; W157-W171 HydrophobicContact CE3-CE3 3.73Å; W157-W171 AromaticContact CE3-CZ3 3.8Å; W157-W171 HydrophobicContact CE3-CZ3 3.8Å; W157-W171 AromaticContact CH2-CE3 3.41Å; W157-W171 HydrophobicContact CH2-CE3 3.41Å; W157-W171 VanDerWaalsContact CH2-CE3 3.41Å; W157-W171 AromaticContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CH2-CZ3 3.41Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CZ2-CD2 4.4Å; W157-W171 AromaticContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.17Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.38Å; T167-W171 HydrophobicContact CG2-CZ2 3.91Å; T167-W171 HydrophobicContact CG2-CZ3 4.48Å; T167-W171 PolarHBondContact O-N 3.22Å; Q168-W171 PolarHBondContact O-N 3.45Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3.05Å; W171-R175 PolarHBondContact O-N 3.31Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.9Å; W171-E176 HydrophobicContact CG-CB 4.18Å; W171-E176 HydrophobicContact CG-CG 3.87Å; W171-E176 PolarHBondContact O-N 3.05Å
172	E	98.5	Very high	98.3	Very high	93 Å²	93	71.9 Å²	71.9	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-63.3	-47.5	171.6	-72.6	169.4	174.3	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 3.25Å; Q168-E172 WeakPolarHBondContact O-CB 3.42Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 2.94Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.95Å; E172-R175 PolarHBondContact O-N 3.38Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	68.4 Å²	68.4	73%	0.727	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-33.1	176.7	0	0	0	0	0	112.9	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.05Å; R169-A173 PolarHBondContact O-N 2.97Å; K170-A173 PolarHBondContact O-N 2.81Å
174	A	98.1	Very high	98.3	Very high	53 Å²	53	68.2 Å²	68.2	44%	0.438	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.7	176.4	0	0	0	0	0	113.9	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.35Å; K170-A174 PolarHBondContact O-N 2.91Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3.05Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.95Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 3.49Å
175	R	97.9	Very high	98.3	Very high	154 Å²	154	72.4 Å²	72.4	58%	0.581	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	38.3	-176.7	-56.4	175.4	72.8	-170.3	1.6	112.9	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.31Å; E172-R175 PolarHBondContact O-N 3.38Å; R175-A177 PolarHBondContact O-N 2.75Å; R175-E178 VanDerWaalsContact CZ-CD 3.44Å; R175-E178 IonicContact CZ-OE1 3.04Å; R175-E178 IonicContact CZ-OE2 3.03Å; R175-E178 IonicContact NE-OE1 3.87Å; R175-E178 PolarHBondContact NE-OE1 3.39Å; R175-E178 IonicContact NE-OE2 3.1Å; R175-E178 PolarHBondContact NE-OE2 3.05Å; R175-E178 VanDerWaalsContact NE-OE2 3.13Å; R175-E178 IonicContact NH1-OE2 2.74Å; R175-E178 IonicContact NH2-OE1 3.52Å; R175-E178 PolarHBondContact NH2-OE1 3.33Å; R175-E178 IonicContact NH2-OE2 3.88Å; R175-E178 PolarHBondContact NH2-OE2 2.92Å; R175-E178 PolarHBondContact O-N 2.91Å; R175-E178 VanDerWaalsContact O-N 3.15Å
176	E	97.9	Very high	98.3	Very high	53 Å²	53	69.9 Å²	69.9	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-58.5	-35.5	-178	-71.8	-77.9	175.9	0	0	112.4	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.23Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.9Å; W171-E176 HydrophobicContact CG-CB 4.18Å; W171-E176 HydrophobicContact CG-CG 3.87Å; W171-E176 PolarHBondContact O-N 3.05Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 3.49Å; E176-E178 PolarHBondContact O-N 3.34Å; E176-Q179 PolarHBondContact O-N 3.02Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; E176-W180 VanDerWaalsContact O-CD1 3.3Å; E176-W180 PolarHBondContact O-N 2.82Å; E176-W180 VanDerWaalsContact O-N 3.08Å
177	A	98.4	Very high	98.2	Very high	7 Å²	7	71.2 Å²	71.2	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-58.1	-33.7	179.3	0	0	0	0	0	112.5	L150 S155 W157 R175 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.97Å; S155-A177 WeakPolarHBondContact O-CB 3.26Å; W157-A177 HydrophobicContact CZ2-CB 4.26Å; R175-A177 PolarHBondContact O-N 2.75Å; A177-W180 PolarHBondContact O-N 2.88Å; A177-R181 VanDerWaalsContact O-CB 3.27Å; A177-R181 WeakPolarHBondContact O-CB 3.13Å; A177-R181 PolarHBondContact O-N 2.96Å
178	E	98.1	Very high	98.3	Very high	96 Å²	96	70.3 Å²	70.3	45%	0.449	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-36.6	178.9	-65.3	174.4	-163.3	0	0	112.2	R175 E176 A182	R175-E178 VanDerWaalsContact CZ-CD 3.44Å; R175-E178 IonicContact CZ-OE1 3.04Å; R175-E178 IonicContact CZ-OE2 3.03Å; R175-E178 IonicContact NE-OE1 3.87Å; R175-E178 PolarHBondContact NE-OE1 3.39Å; R175-E178 IonicContact NE-OE2 3.1Å; R175-E178 PolarHBondContact NE-OE2 3.05Å; R175-E178 VanDerWaalsContact NE-OE2 3.13Å; R175-E178 IonicContact NH1-OE2 2.74Å; R175-E178 IonicContact NH2-OE1 3.52Å; R175-E178 PolarHBondContact NH2-OE1 3.33Å; R175-E178 IonicContact NH2-OE2 3.88Å; R175-E178 PolarHBondContact NH2-OE2 2.92Å; R175-E178 PolarHBondContact O-N 2.91Å; R175-E178 VanDerWaalsContact O-N 3.15Å; E176-E178 PolarHBondContact O-N 3.34Å; E178-A182 WeakPolarHBondContact O-CB 3.2Å; E178-A182 PolarHBondContact O-N 2.62Å
179	Q	97.6	Very high	98.3	Very high	124 Å²	124	68.8 Å²	68.8	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-67.4	-43.1	175.3	-59.2	-175.9	26.8	0	0	110.7	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 3.02Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; Q179-A182 PolarHBondContact O-N 3.12Å; Q179-Y183 PolarHBondContact O-N 2.86Å
180	W	98.2	Very high	98.2	Very high	41 Å²	41	67.1 Å²	67.1	16%	0.155	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-43.4	176.4	-78.8	103.9	0	0	0	112.1	R121 Y123 D138 L150 E176 A177 A182 Y183 L184	R121-W180 VanDerWaalsContact CZ-CZ2 3.42Å; Y123-W180 HydrophobicContact CD1-CH2 4.34Å; Y123-W180 HydrophobicContact CD1-CZ3 4.4Å; Y123-W180 AromaticContact CD2-CZ3 3.93Å; Y123-W180 HydrophobicContact CD2-CZ3 3.93Å; Y123-W180 HydrophobicContact CE2-CZ3 4.41Å; Y123-W180 HydrophobicContact CG-CH2 4.34Å; Y123-W180 AromaticContact CG-CZ3 3.95Å; Y123-W180 HydrophobicContact CG-CZ3 3.95Å; D138-W180 HydrophobicContact CB-CD2 4.4Å; D138-W180 HydrophobicContact CB-CE3 4.32Å; L150-W180 HydrophobicContact CD2-CB 3.99Å; E176-W180 VanDerWaalsContact O-CD1 3.3Å; E176-W180 PolarHBondContact O-N 2.82Å; E176-W180 VanDerWaalsContact O-N 3.08Å; A177-W180 PolarHBondContact O-N 2.88Å; W180-A182 PolarHBondContact O-N 2.9Å; W180-Y183 HydrophobicContact CE3-CD1 4.01Å; W180-Y183 AromaticContact CZ3-CD1 3.86Å; W180-Y183 HydrophobicContact CZ3-CD1 3.86Å; W180-Y183 HydrophobicContact CZ3-CE1 4.2Å; W180-Y183 PolarHBondContact O-N 2.69Å; W180-L184 HydrophobicContact CB-CD1 4.48Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.03Å; W180-L184 WeakPolarHBondContact O-CG 3.22Å; W180-L184 PolarHBondContact O-N 2.97Å
181	R	98.4	Very high	98.2	Very high	109 Å²	109	64.2 Å²	64.2	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-56.7	-49.5	173.7	-175.8	177	-179.9	165.1	9.3	111.7	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.96Å; L154-R181 HydrophobicContact CD1-CG 4.32Å; A177-R181 VanDerWaalsContact O-CB 3.27Å; A177-R181 WeakPolarHBondContact O-CB 3.13Å; A177-R181 PolarHBondContact O-N 2.96Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.34Å; R181-L184 PolarHBondContact O-N 3.25Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 IonicContact CZ-OE1 3.69Å; R181-E185 IonicContact NE-OE1 3.11Å; R181-E185 PolarHBondContact NE-OE1 3.12Å; R181-E185 IonicContact NE-OE2 3.44Å; R181-E185 PolarHBondContact NE-OE2 3.37Å; R181-E185 IonicContact NH2-OE1 3.92Å; R181-E185 PolarHBondContact NH2-OE1 2.85Å; R181-E185 VanDerWaalsContact NH2-OE1 3.11Å; R181-E185 WeakPolarHBondContact O-CB 3.3Å; R181-E185 PolarHBondContact O-N 3.08Å
182	A	98.4	Very high	98.3	Very high	64 Å²	64	61.5 Å²	61.5	53%	0.529	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-39.6	178.4	0	0	0	0	0	112.5	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.2Å; E178-A182 PolarHBondContact O-N 2.62Å; Q179-A182 PolarHBondContact O-N 3.12Å; W180-A182 PolarHBondContact O-N 2.9Å; A182-G186 PolarHBondContact O-N 2.77Å; A182-G186 VanDerWaalsContact O-N 3.14Å
183	Y	98.4	Very high	98.2	Very high	40 Å²	40	62.7 Å²	62.7	16%	0.157	32%	0.316	C	S	.	.	I	π-helix	trans	-66.3	-47	174.4	171.9	-101.4	0	0	0	112.4	Y123 Q179 W180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.83Å; Y123-Y183 HydrophobicContact CD2-CE1 3.83Å; Y123-Y183 AromaticContact CE2-CE1 3.66Å; Y123-Y183 HydrophobicContact CE2-CE1 3.66Å; Y123-Y183 AromaticContact CE2-CZ 3.93Å; Q179-Y183 PolarHBondContact O-N 2.86Å; W180-Y183 HydrophobicContact CE3-CD1 4.01Å; W180-Y183 AromaticContact CZ3-CD1 3.86Å; W180-Y183 HydrophobicContact CZ3-CD1 3.86Å; W180-Y183 HydrophobicContact CZ3-CE1 4.2Å; W180-Y183 PolarHBondContact O-N 2.69Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.34Å; Y183-G186 CarbonylContact O-C 3.6Å; Y183-L187 HydrophobicContact CD2-CB 3.81Å; Y183-L187 HydrophobicContact CD2-CD1 4.15Å; Y183-L187 HydrophobicContact CE2-CB 4Å; Y183-L187 PolarHBondContact O-N 3Å; Y183-L187 VanDerWaalsContact O-N 3.14Å; Y183-C188 HydrophobicContact CD1-CB 4.41Å; Y183-C188 HydrophobicContact CE1-CB 3.98Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 3.21Å
184	L	98.6	Very high	98.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-71.8	-41	-173.8	-69.7	170.4	0	0	0	112.3	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.37Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; W180-L184 HydrophobicContact CB-CD1 4.48Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.03Å; W180-L184 WeakPolarHBondContact O-CG 3.22Å; W180-L184 PolarHBondContact O-N 2.97Å; R181-L184 PolarHBondContact O-N 3.25Å; L184-V189 WeakPolarHBondContact O-CG2 3.34Å
185	E	98.1	Very high	98.2	Very high	89 Å²	89	61.8 Å²	61.8	42%	0.416	28%	0.282	S	S	.	.	I	π-helix	trans	-76.4	-27.1	176.8	-69.2	179.1	166.5	0	0	112.8	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 IonicContact CZ-OE1 3.69Å; R181-E185 IonicContact NE-OE1 3.11Å; R181-E185 PolarHBondContact NE-OE1 3.12Å; R181-E185 IonicContact NE-OE2 3.44Å; R181-E185 PolarHBondContact NE-OE2 3.37Å; R181-E185 IonicContact NH2-OE1 3.92Å; R181-E185 PolarHBondContact NH2-OE1 2.85Å; R181-E185 VanDerWaalsContact NH2-OE1 3.11Å; R181-E185 WeakPolarHBondContact O-CB 3.3Å; R181-E185 PolarHBondContact O-N 3.08Å
186	G	98.1	Very high	98.1	Very high	21 Å²	21	55 Å²	55	22%	0.216	26%	0.258	C	S	.	.	I	π-helix	trans	-105.1	-94.3	-178.4	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.77Å; A182-G186 VanDerWaalsContact O-N 3.14Å; Y183-G186 CarbonylContact O-C 3.6Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.87Å; G186-C188 VanDerWaalsContact O-N 3.17Å; G186-V189 PolarHBondContact O-N 3.13Å; G186-V189 VanDerWaalsContact O-N 3.08Å; G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.44Å
187	L	97.9	Very high	98.1	Very high	87 Å²	87	58.4 Å²	58.4	46%	0.455	27%	0.274	S	S	.	.	I	π-helix	trans	-54.6	-40.1	-169	-71	175.8	0	0	0	113.5	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.81Å; Y183-L187 HydrophobicContact CD2-CD1 4.15Å; Y183-L187 HydrophobicContact CE2-CB 4Å; Y183-L187 PolarHBondContact O-N 3Å; Y183-L187 VanDerWaalsContact O-N 3.14Å; L187-E190 PolarHBondContact O-N 3.04Å; L187-W191 WeakPolarHBondContact O-CB 3.31Å; L187-W191 PolarHBondContact O-N 2.85Å
188	C	98.6	Very high	98	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-60.3	-49.5	179.3	-171.4	0	0	0	0	111.1	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 WeakPolarHBondContact CE-O 3.29Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; C125-C188 HydrophobicContact CB-CB 3.88Å; C125-C188 WeakPolarHBondContact CB-SG 3.43Å; C125-C188 PolarHBondContact N-SG 2.95Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 PolarHBondContact SG-O 2.85Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.76Å; Y183-C188 HydrophobicContact CD1-CB 4.41Å; Y183-C188 HydrophobicContact CE1-CB 3.98Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 3.21Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.87Å; G186-C188 VanDerWaalsContact O-N 3.17Å; C188-W191 PolarHBondContact O-N 2.86Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 3.13Å
189	V	98.6	Very high	97.9	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-42.8	178.9	173.9	0	0	0	0	111.2	C125 V127 G131 L133 L184 G186 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.47Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 4.03Å; V127-V189 HydrophobicContact CG1-CG2 3.95Å; G131-V189 WeakPolarHBondContact O-CG1 3.49Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.86Å; L184-V189 WeakPolarHBondContact O-CG2 3.34Å; G186-V189 PolarHBondContact O-N 3.13Å; G186-V189 VanDerWaalsContact O-N 3.08Å; V189-L192 PolarHBondContact O-N 2.87Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 2.71Å
190	E	98.4	Very high	97.8	Very high	117 Å²	117	55.4 Å²	55.4	55%	0.547	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-47.8	177.8	-71.6	176.3	179.1	0	0	112.2	G186 L187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.44Å; L187-E190 PolarHBondContact O-N 3.04Å; E190-R193 PolarHBondContact O-N 2.92Å; E190-R194 PolarHBondContact O-N 2.85Å; E190-R194 VanDerWaalsContact O-N 3.08Å
191	W	98.3	Very high	97.5	Very high	49 Å²	49	61.7 Å²	61.7	19%	0.186	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-41.3	178	-81.7	106	0	0	0	112.1	M29 Y83 R86 L187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.47Å; Y83-W191 AromaticContact CD2-CH2 3.67Å; Y83-W191 HydrophobicContact CD2-CH2 3.67Å; Y83-W191 HydrophobicContact CD2-CZ2 4.33Å; Y83-W191 AromaticContact CD2-CZ3 3.99Å; Y83-W191 HydrophobicContact CD2-CZ3 3.99Å; Y83-W191 HydrophobicContact CE2-CE3 4.44Å; Y83-W191 AromaticContact CE2-CH2 3.97Å; Y83-W191 HydrophobicContact CE2-CH2 3.97Å; Y83-W191 AromaticContact CE2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CZ3 3.91Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.26Å; L187-W191 WeakPolarHBondContact O-CB 3.31Å; L187-W191 PolarHBondContact O-N 2.85Å; C188-W191 PolarHBondContact O-N 2.86Å; W191-R193 PolarHBondContact O-N 2.85Å; W191-R194 PolarHBondContact O-N 2.82Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.31Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 PolarHBondContact O-N 3.23Å
192	L	98.6	Very high	97.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-46.6	176	174.6	52.8	0	0	0	111	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 3.99Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.35Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 3.13Å; V189-L192 PolarHBondContact O-N 2.87Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.82Å; L192-Y195 PolarHBondContact O-N 2.6Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.33Å
193	R	97.7	Very high	97.1	Very high	117 Å²	117	55.7 Å²	55.7	44%	0.442	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-44	175.8	-71.7	174	-176.1	179.1	1.8	112.3	G131 V189 E190 W191 Y195 L196 E197	G131-R193 PolarHBondContact O-NE 2.82Å; G131-R193 PolarHBondContact O-NH2 3.41Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 2.71Å; E190-R193 PolarHBondContact O-N 2.92Å; W191-R193 PolarHBondContact O-N 2.85Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 2.99Å; R193-L196 PolarHBondContact O-N 3.32Å; R193-E197 PolarHBondContact O-N 3.19Å
194	R	97.6	Very high	96.8	Very high	121 Å²	121	58.1 Å²	58.1	46%	0.457	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-44.5	175.6	176.4	178	173.7	127.8	-3.3	111.5	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.27Å; E79-R194 IonicContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 3.71Å; E79-R194 PolarHBondContact OE1-NE 3.24Å; E79-R194 IonicContact OE1-NH2 3.05Å; E79-R194 PolarHBondContact OE1-NH2 3.15Å; E79-R194 IonicContact OE2-CZ 2.66Å; E79-R194 IonicContact OE2-NE 2.72Å; E79-R194 IonicContact OE2-NH2 2.87Å; E79-R194 PolarHBondContact OE2-NH2 3.43Å; E190-R194 PolarHBondContact O-N 2.85Å; E190-R194 VanDerWaalsContact O-N 3.08Å; W191-R194 PolarHBondContact O-N 2.82Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.82Å; R194-E197 PolarHBondContact O-N 3.14Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.42Å; R194-N198 PolarHBondContact O-OD1 3.23Å
195	Y	98.1	Very high	96.5	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-39	178.9	-61.7	-27.9	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 4.02Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.68Å; F57-Y195 HydrophobicContact CE2-CE2 3.68Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CE2 3.84Å; W75-Y195 HydrophobicContact CE3-CD1 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD2 4.34Å; W75-Y195 AromaticContact CZ3-CG 3.65Å; W75-Y195 HydrophobicContact CZ3-CG 3.65Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 PolarHBondContact OH-OH 3.08Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.31Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 PolarHBondContact O-N 3.23Å; L192-Y195 PolarHBondContact O-N 2.6Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 2.99Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.48Å; Y195-N198 PolarHBondContact O-N 3.43Å; Y195-G199 WeakPolarHBondContact O-CA 3.42Å; Y195-G199 PolarHBondContact O-N 3.17Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å
196	L	97.1	Very high	96.4	Very high	13 Å²	13	60.9 Å²	60.9	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-36.7	174.7	-71.3	170	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.32Å; V52-L196 HydrophobicContact CG1-CD2 4Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.33Å; R193-L196 PolarHBondContact O-N 3.32Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.49Å; L196-K200 WeakPolarHBondContact O-CB 3.17Å; L196-K200 PolarHBondContact O-N 2.98Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; L196-Q204 PolarHBondContact O-NE2 3.23Å
197	E	96.6	Very high	96.3	Very high	123 Å²	123	61.6 Å²	61.6	58%	0.575	28%	0.284	S	S	*	.	H	α-helix	trans	-71.3	-50	174.8	-172.3	58.6	-151.3	0	0	111	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.19Å; R194-E197 PolarHBondContact O-N 3.14Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.48Å; E197-G199 VanDerWaalsContact C-N 3.26Å; E197-G199 PolarHBondContact O-N 3.08Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 3.43Å
198	N	97.1	Very high	96.3	Very high	53 Å²	53	60.5 Å²	60.5	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-57.6	-38.4	178.2	-78.1	0.4	0	0	0	113	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.39Å; Q78-N198 PolarHBondContact NE2-ND2 2.98Å; E79-N198 PolarHBondContact OE1-ND2 3.41Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.42Å; R194-N198 PolarHBondContact O-OD1 3.23Å; Y195-N198 PolarHBondContact O-N 3.43Å
199	G	96.3	Very high	96.3	Very high	3 Å²	3	61 Å²	61	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	14.7	-176.1	0	0	0	0	0	114.2	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.42Å; Y195-G199 PolarHBondContact O-N 3.17Å; E197-G199 VanDerWaalsContact C-N 3.26Å; E197-G199 PolarHBondContact O-N 3.08Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.05Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.45Å; G199-T202 PolarHBondContact O-N 3.45Å; G199-T202 PolarHBondContact O-OG1 3.48Å; G199-L203 PolarHBondContact O-N 3.38Å
200	K	94.6	Very high	96.3	Very high	109 Å²	109	68.1 Å²	68.1	47%	0.474	32%	0.315	S	S	.	.	H	α-helix	trans	-49.4	-44.3	-168.7	-178.5	174.3	-175.3	174.1	0	115	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.49Å; L196-K200 WeakPolarHBondContact O-CB 3.17Å; L196-K200 PolarHBondContact O-N 2.98Å; L196-K200 VanDerWaalsContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 3.43Å; K200-T202 PolarHBondContact O-N 3.13Å; K200-T202 VanDerWaalsContact O-N 3.14Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3Å
201	E	92.7	Very high	96.3	Very high	172 Å²	172	64.3 Å²	64.3	80%	0.804	30%	0.3	S	S	*	.	H	α-helix	trans	-61.7	-23.3	179.6	-62.1	-173.7	163.5	0	0	113.4	G199 R205	G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.05Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-R205 PolarHBondContact O-NH1 3.36Å; E201-R205 VanDerWaalsContact O-NH1 3.16Å
202	T	93.1	Very high	96.3	Very high	42 Å²	42	65.7 Å²	65.7	26%	0.258	31%	0.308	S	S	.	.	H	α-helix	trans	-100.9	-70.5	176.8	55.8	0	0	0	0	110.3	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.45Å; G199-T202 PolarHBondContact O-N 3.45Å; G199-T202 PolarHBondContact O-OG1 3.48Å; K200-T202 PolarHBondContact O-N 3.13Å; K200-T202 VanDerWaalsContact O-N 3.14Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 2.82Å; T202-R205 WeakPolarHBondContact O-CB 3.26Å; T202-R205 PolarHBondContact O-N 3.01Å; T202-R263 VanDerWaalsContact CA-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 3.11Å; T202-R263 PolarHBondContact O-NH2 3.3Å
203	L	94	Very high	96.3	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-32.3	-167.4	-61.7	172.1	0	0	0	114.3	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 PolarHBondContact O-N 3.38Å; L203-R205 VanDerWaalsContact C-N 3.34Å
204	Q	92.5	Very high	96.2	Very high	92 Å²	92	62.8 Å²	62.8	43%	0.43	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	13.4	179.5	-59	-178.9	34.8	0	0	112.7	L196 K200 T202	L196-Q204 PolarHBondContact O-NE2 3.23Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 2.82Å
205	R	93.5	Very high	96.2	Very high	117 Å²	117	59.7 Å²	59.7	44%	0.442	29%	0.294	S	S	.	.			trans	-108.5	117.3	177.1	-169.5	-176.9	78.3	-144.9	4.1	110	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 3.36Å; E201-R205 VanDerWaalsContact O-NH1 3.16Å; T202-R205 WeakPolarHBondContact O-CB 3.26Å; T202-R205 PolarHBondContact O-N 3.01Å; L203-R205 VanDerWaalsContact C-N 3.34Å; R205-D207 IonicContact CZ-OD1 3.36Å; R205-D207 IonicContact CZ-OD2 3.13Å; R205-D207 IonicContact NE-OD1 3.4Å; R205-D207 PolarHBondContact NE-OD1 3.45Å; R205-D207 IonicContact NE-OD2 3.13Å; R205-D207 IonicContact NH2-OD1 2.71Å; R205-D207 IonicContact NH2-OD2 3.72Å; R205-D207 PolarHBondContact NH2-OD2 3.41Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.39Å
206	A	95.4	Very high	96	Very high	29 Å²	29	63.7 Å²	63.7	24%	0.24	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-86.7	125.7	167.1	0	0	0	0	0	110.1	Y233 E288	A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; A206-E288 HydrophobicContact CB-CB 4.31Å; A206-E288 HydrophobicContact CB-CG 4.31Å
207	D	96.8	Very high	95.9	Very high	36 Å²	36	67.7 Å²	67.7	19%	0.193	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-99.5	117.3	175.2	-67.2	-33.1	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.36Å; R205-D207 IonicContact CZ-OD2 3.13Å; R205-D207 IonicContact NE-OD1 3.4Å; R205-D207 PolarHBondContact NE-OD1 3.45Å; R205-D207 IonicContact NE-OD2 3.13Å; R205-D207 IonicContact NH2-OD1 2.71Å; R205-D207 IonicContact NH2-OD2 3.72Å; R205-D207 PolarHBondContact NH2-OD2 3.41Å; D207-F232 CarbonylContact O-C 3.6Å; D207-F232 WeakPolarHBondContact O-CA 3.41Å; D207-F232 WeakPolarHBondContact O-CB 3.3Å; D207-Y233 PolarHBondContact N-O 2.81Å; D207-Y233 PolarHBondContact O-N 3.41Å; D207-H287 PolarHBondContact O-CE1 2.71Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å
208	P	97.7	Very high	95.7	Very high	65 Å²	65	66.5 Å²	66.5	42%	0.422	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-70.6	150.3	-175.7	25.1	-32.7	0	0	0	112.8	L290	P208-L290 HydrophobicContact CB-CD2 3.92Å; P208-L290 HydrophobicContact CB-CG 4.46Å
209	P	98.3	Very high	95.5	Very high	9 Å²	9	66.3 Å²	66.3	6%	0.058	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68	135.3	178.9	28.4	-35.3	0	0	0	112.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 2.84Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.12Å; P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	98.4	Very high	95.3	Very high	158 Å²	158	73.3 Å²	73.3	69%	0.687	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	109.8	163.4	-64.1	173.2	-174.4	169.8	0	108.2	L230	K210-L230 PolarHBondContact N-O 3.14Å; K210-L230 PolarHBondContact O-N 2.82Å
211	T	98.3	Very high	95.2	Very high	36 Å²	36	75 Å²	75	22%	0.221	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.2	-172	54	0	0	0	0	112.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 2.84Å; T211-W228 WeakPolarHBondContact CA-O 3.15Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 3.99Å; T211-L294 HydrophobicContact CG2-CD1 4.27Å; T211-L296 HydrophobicContact CG2-CD1 4.44Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.47Å
212	H	97.5	Very high	95.4	Very high	79 Å²	79	71.3 Å²	71.3	37%	0.366	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159	171.3	63.6	-75	0	0	0	110.8	W228	H212-W228 VanDerWaalsContact CE1-CB 3.4Å; H212-W228 WeakPolarHBondContact CE1-CB 3.42Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 2.93Å; H212-W228 AromaticContact NE2-CD1 3.5Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.98Å
213	V	98.3	Very high	95.6	Very high	22 Å²	22	69.3 Å²	69.3	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.9	176.3	-179	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; V213-R226 WeakPolarHBondContact CA-O 3.41Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.81Å; V213-W298 HydrophobicContact CB-CB 4.5Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	97.1	Very high	95.7	Very high	34 Å²	34	70.1 Å²	70.1	21%	0.209	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147.7	174.8	52.5	0	0	0	0	110.4	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.47Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; T214-R226 PolarHBondContact N-O 2.81Å; T214-R226 PolarHBondContact O-N 3.16Å; T214-R226 WeakPolarHBondContact OG1-CB 3.31Å; T214-R226 PolarHBondContact OG1-O 2.76Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3.29Å
215	H	96.6	Very high	96	Very high	56 Å²	56	65.7 Å²	65.7	26%	0.259	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.9	-178.9	169.7	-91.3	0	0	0	109.7	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.42Å; H215-T224 WeakPolarHBondContact CA-O 3.23Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; H215-E278 IonicContact NE2-OE1 3.3Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.97Å
216	H	95	Very high	96.3	Very high	84 Å²	84	62.6 Å²	62.6	39%	0.389	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	106.2	-179.1	-57.8	83.5	0	0	0	109.1	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.47Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-I218 PolarHBondContact O-N 2.94Å; H216-A223 CarbonylContact O-C 3.51Å; H216-A223 WeakPolarHBondContact O-CA 3.34Å; H216-T224 PolarHBondContact N-O 2.85Å; H216-T224 PolarHBondContact O-N 3.14Å; H216-R226 PolarHBondContact CE1-NH1 3.16Å
217	P	94.4	Very high	96.4	Very high	98 Å²	98	61.2 Å²	61.2	64%	0.636	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	132.3	173.2	-20.9	31.1	0	0	0	110.9
218	I	92.7	Very high	96.5	Very high	97 Å²	97	61.9 Å²	61.9	50%	0.497	32%	0.317	S	S	.	.			trans	-100.1	-44.1	172.7	-61.3	162.4	0	0	0	109.5	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.94Å; I218-E222 PolarHBondContact N-O 2.8Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.19Å; I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.07Å
219	S	93.4	Very high	96.5	Very high	50 Å²	50	58.8 Å²	58.8	35%	0.35	30%	0.297	S	S	.	.	S	Bend	trans	-148	-178.3	178.8	71.6	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.45Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 3.19Å; S219-E222 PolarHBondContact N-O 3.41Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 2.88Å
220	D	90.8	Very high	96.5	Very high	150 Å²	150	61 Å²	61	80%	0.802	31%	0.308	S	S	*	.	S	Bend	trans	-65.7	-10.4	172.8	-65.4	-21.3	0	0	0	113.4
221	H	93.8	Very high	96.5	Very high	144 Å²	144	54.6 Å²	54.6	67%	0.667	29%	0.287	S	S	*	.	S	Bend	trans	-115.4	-16.8	-175.3	-56.1	-43.3	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.45Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 3.19Å; H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.43Å; H221-S275 PolarHBondContact O-N 3.36Å; H221-S275 PolarHBondContact O-OG 2.88Å
222	E	95.8	Very high	96.5	Very high	94 Å²	94	52.9 Å²	52.9	44%	0.439	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.1	-171	-66.6	-178.2	164.8	0	0	112.5	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.8Å; S219-E222 PolarHBondContact N-O 3.41Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 2.88Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.31Å; E222-S275 PolarHBondContact N-OG 3.1Å
223	A	96.6	Very high	96.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.2	171.9	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.42Å; H216-A223 CarbonylContact O-C 3.51Å; H216-A223 WeakPolarHBondContact O-CA 3.34Å; A223-V272 WeakPolarHBondContact O-CA 3.25Å; A223-V273 PolarHBondContact N-O 3.14Å; A223-V273 PolarHBondContact O-N 2.78Å
224	T	97.9	Very high	96.4	Very high	21 Å²	21	49 Å²	49	13%	0.129	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.2	169	-53.6	0	0	0	0	110	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.23Å; H216-T224 PolarHBondContact N-O 2.85Å; H216-T224 PolarHBondContact O-N 3.14Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.19Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.16Å
225	L	98.3	Very high	96.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.5	162.4	-63.5	-175.6	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.48Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.13Å; L225-V271 PolarHBondContact O-N 2.73Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.3Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 3.97Å
226	R	98.4	Very high	96.4	Very high	52 Å²	52	51 Å²	51	20%	0.196	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.7	176.2	-177.4	-179.1	-63.2	113	2.5	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.41Å; T214-R226 PolarHBondContact N-O 2.81Å; T214-R226 PolarHBondContact O-N 3.16Å; T214-R226 WeakPolarHBondContact OG1-CB 3.31Å; T214-R226 PolarHBondContact OG1-O 2.76Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 3.16Å; R226-W228 VanDerWaalsContact CD-CE2 3.45Å; R226-W228 VanDerWaalsContact CD-CZ2 3.43Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.46Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	98.4	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.8	174.9	-173	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.5Å; C227-W268 WeakPolarHBondContact O-CA 3.49Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.17Å; C227-A269 PolarHBondContact N-O 3.44Å; C227-A269 PolarHBondContact O-N 2.91Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.31Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.12Å
228	W	98.6	Very high	96.7	Very high	49 Å²	49	44.7 Å²	44.7	19%	0.186	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.2	179.7	-69.8	90.5	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.15Å; H212-W228 VanDerWaalsContact CE1-CB 3.4Å; H212-W228 WeakPolarHBondContact CE1-CB 3.42Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 2.93Å; H212-W228 AromaticContact NE2-CD1 3.5Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.98Å; T214-W228 PolarHBondContact OG1-NE1 3.29Å; R226-W228 VanDerWaalsContact CD-CE2 3.45Å; R226-W228 VanDerWaalsContact CD-CZ2 3.43Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.7	Very high	96.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.3	162.1	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.22Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.34Å; A229-K267 PolarHBondContact N-O 3.08Å; A229-K267 PolarHBondContact O-N 3Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.5	Very high	97.1	Very high	55 Å²	55	40 Å²	40	29%	0.288	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.1	-174.8	-59	177.5	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.14Å; K210-L230 PolarHBondContact O-N 2.82Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; L230-F232 PolarHBondContact O-N 3.47Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å
231	G	98	Very high	97.5	Very high	24 Å²	24	32.9 Å²	32.9	25%	0.247	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.9	28.3	167.3	0	0	0	0	0	114.3	F265	G231-F265 PolarHBondContact N-O 3.45Å
232	F	98.3	Very high	97.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	155.7	-179.1	59.2	-89.1	0	0	0	113	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.6Å; D207-F232 WeakPolarHBondContact O-CA 3.41Å; D207-F232 WeakPolarHBondContact O-CB 3.3Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.12Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.22Å; L230-F232 PolarHBondContact O-N 3.47Å; F232-P234 WeakPolarHBondContact CD2-O 3.5Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.56Å; F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.99Å; F232-T264 CarbonylContact O-C 3.51Å; F232-T264 WeakPolarHBondContact O-CA 3.26Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.39Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.9Å; F232-F265 PolarHBondContact O-N 3.4Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	97.1	Very high	97.8	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.016	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-149.9	136.9	171.6	177.8	-84.5	0	0	0	108.9	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.92Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.32Å; T55-Y233 PolarHBondContact OG1-OH 2.92Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.39Å; A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; D207-Y233 PolarHBondContact N-O 2.81Å; D207-Y233 PolarHBondContact O-N 3.41Å; Y233-R263 HydrophobicContact CD2-CG 3.92Å; Y233-R263 HydrophobicContact CE2-CG 4.12Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.3Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; Y233-H287 PolarHBondContact O-CE1 2.82Å
234	P	96.4	Very high	97.7	Very high	17 Å²	17	31.5 Å²	31.5	11%	0.11	16%	0.162	C	C	.	.	S	Bend	cis	-71.7	179.1	2.1	30.6	-36.7	0	0	0	113.4	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.22Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; F232-P234 WeakPolarHBondContact CD2-O 3.5Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 3.4Å; P234-E288 WeakPolarHBondContact CG-OE2 3.25Å
235	A	97.3	Very high	97.4	Very high	15 Å²	15	32.8 Å²	32.8	12%	0.124	18%	0.179	C	C	.	.	S	Bend	trans	-70.6	-27.9	-175.7	0	0	0	0	0	113.6	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 3.05Å; A235-I237 PolarHBondContact O-N 2.87Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.38Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.64Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.65Å
236	E	96.4	Very high	97.3	Very high	115 Å²	115	39.7 Å²	39.7	54%	0.537	21%	0.212	S	C	.	.			trans	-62.3	121.6	178.5	-169.1	56.1	-140.7	0	0	109.4	W23 P234 H287	W23-E236 HydrophobicContact CH2-CB 4.14Å; W23-E236 HydrophobicContact CH2-CG 3.49Å; W23-E236 VanDerWaalsContact CH2-CG 3.49Å; W23-E236 HydrophobicContact CZ2-CG 3.58Å; W23-E236 HydrophobicContact CZ3-CB 4.18Å; W23-E236 HydrophobicContact CZ3-CG 3.96Å; W23-E236 WeakPolarHBondContact CZ3-O 3.25Å; P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 2.91Å
237	I	97.2	Very high	97.2	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.046	23%	0.225	C	C	.	.			trans	-157.1	142.7	-177.2	-164.2	171.6	0	0	0	109.2	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.56Å; A235-I237 PolarHBondContact O-N 2.87Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.35Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.1Å; I237-H287 HydrophobicContact CD1-CB 4.36Å; I237-H287 HydrophobicContact CG1-CB 4.11Å
238	T	97.6	Very high	97	Very high	42 Å²	42	42.7 Å²	42.7	26%	0.258	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.3	174.2	-61.5	0	0	0	0	110.5	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; T238-Q286 PolarHBondContact N-O 2.88Å; T238-Q286 PolarHBondContact O-N 3.38Å
239	L	97.9	Very high	96.6	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.2	172.7	-86.4	64.3	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; L239-H284 WeakPolarHBondContact CA-O 3.41Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	97.7	Very high	96.3	Very high	40 Å²	40	54.5 Å²	54.5	25%	0.245	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.5	179	48.3	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.41Å; T240-H284 PolarHBondContact N-O 2.95Å; T240-H284 PolarHBondContact O-N 3.45Å; T240-H284 WeakPolarHBondContact OG1-CB 3.32Å
241	W	98.3	Very high	95.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.8	169.8	-82.6	106.5	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 2.83Å; W241-A269 PolarHBondContact NE1-O 3.32Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.37Å; W241-T282 WeakPolarHBondContact CA-O 3.48Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	98	Very high	95.7	Very high	39 Å²	39	57.3 Å²	57.3	18%	0.182	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.6	171.6	-69.9	-174.1	-7.1	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.42Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.25Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.15Å; Q242-T282 PolarHBondContact N-O 2.82Å; Q242-T282 PolarHBondContact O-N 3.13Å; Q242-H284 PolarHBondContact OE1-NE2 3.45Å
243	R	97.6	Very high	95.6	Very high	71 Å²	71	62.7 Å²	62.7	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.2	168.4	-176.2	-172	-175.5	179.2	-0.1	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.21Å; R243-E246 PolarHBondContact N-O 3.2Å; R243-E246 PolarHBondContact O-N 3.07Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 3.48Å; R243-E277 IonicContact NE-OE2 3.8Å; R243-E277 IonicContact NH2-OE1 3.67Å; R243-E277 IonicContact NH2-OE2 2.7Å; R243-E277 PolarHBondContact NH2-OE2 2.82Å; R243-R280 WeakPolarHBondContact CA-O 3.37Å; R243-R280 HydrophobicContact CG-CB 4.4Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 WeakPolarHBondContact CD-OH 3.48Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.05Å
244	D	95.8	Very high	95.6	Very high	100 Å²	100	66.7 Å²	66.7	54%	0.535	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	28.8	-175.4	-53.6	-49.7	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 2.85Å; D244-R280 IonicContact OD1-NE 2.82Å; D244-R280 PolarHBondContact OD1-NE 3.11Å; D244-R280 IonicContact OD2-CZ 3.74Å; D244-R280 IonicContact OD2-NE 3.98Å; D244-R280 PolarHBondContact OD2-NE 3.05Å; D244-R280 IonicContact OD2-NH2 2.69Å; D244-R280 PolarHBondContact OD2-NH2 2.87Å
245	G	92.1	Very high	95.7	Very high	47 Å²	47	67.5 Å²	67.5	49%	0.485	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	0.5	-177.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.21Å
246	E	95.9	Very high	95.7	Very high	145 Å²	145	74.5 Å²	74.5	68%	0.678	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.9	175.9	-62.7	-173	170.1	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.42Å; R243-E246 PolarHBondContact N-O 3.2Å; R243-E246 PolarHBondContact O-N 3.07Å; E246-Q248 PolarHBondContact O-NE2 2.91Å
247	D	95.4	Very high	95.7	Very high	89 Å²	89	71 Å²	71	48%	0.476	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	134.2	-179	-67.9	-24.6	0	0	0	112.3	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.25Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å
248	Q	95.3	Very high	95.8	Very high	27 Å²	27	75.3 Å²	75.3	13%	0.126	39%	0.389	C	S	.	.			trans	-104.8	37.2	-177.7	-57.7	-61.2	-71	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 2.83Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 2.91Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.65Å; Q248-D251 PolarHBondContact O-N 3.19Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 3.28Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å
249	T	90.1	Very high	95.8	Very high	105 Å²	105	77.7 Å²	77.7	64%	0.644	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.2	-169.1	-48.1	0	0	0	0	113.9
250	Q	90.7	Very high	95.7	Very high	192 Å²	192	79.8 Å²	79.8	90%	0.897	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-31.3	-178.7	-66.4	-174.4	3.4	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.65Å
251	D	89.4	Confident	95.5	Very high	113 Å²	113	81.6 Å²	81.6	60%	0.604	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	0.6	-177.7	-55.9	-54.8	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.19Å
252	T	95.3	Very high	95.2	Very high	24 Å²	24	86.7 Å²	86.7	15%	0.147	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120	179.8	-63.8	0	0	0	0	110.7	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 3.28Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.86Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.33Å
253	E	97.2	Very high	95	Very high	114 Å²	114	87.7 Å²	87.7	53%	0.533	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	107.4	163.3	-173.3	-174.1	-172	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.2Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.18Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.37Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.25Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.27Å; E253-A270 PolarHBondContact O-N 2.98Å
254	L	97.1	Very high	95	Very high	88 Å²	88	85.2 Å²	85.2	46%	0.461	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.3	178.2	-174	68	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.86Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255	V	96.9	Very high	95.1	Very high	33 Å²	33	81.6 Å²	81.6	20%	0.2	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-84.3	153.9	175.2	-65.3	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.33Å; V255-K267 PolarHBondContact O-NZ 3.24Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.48Å; V255-W268 PolarHBondContact N-O 3.49Å
256	E	96.9	Very high	95.4	Very high	162 Å²	162	81.5 Å²	81.5	76%	0.757	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-57.8	146.5	168.2	-68.1	-56.4	155.5	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 3.41Å
257	T	98.1	Very high	95.5	Very high	42 Å²	42	75.4 Å²	75.4	26%	0.258	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.6	128.8	174.5	-57	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.99Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.38Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 3.24Å
258	R	97.6	Very high	95.7	Very high	99 Å²	99	72.3 Å²	72.3	37%	0.374	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	-174.5	68.7	-169	-178.6	-175.5	3.9	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.41Å; R258-F265 WeakPolarHBondContact O-CA 3.42Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.28Å; R258-Q266 WeakPolarHBondContact O-CG 3.39Å; R258-Q266 PolarHBondContact O-N 3.29Å
259	P	97.5	Very high	95.8	Very high	93 Å²	93	71 Å²	71	60%	0.604	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	144.6	178.8	29	-34.8	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	96.6	Very high	96.2	Very high	51 Å²	51	66.1 Å²	66.1	42%	0.421	36%	0.356	S	S	.	.			trans	-88.8	-15.6	172.7	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.47Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 WeakPolarHBondContact CB-OG1 3.41Å; A260-T264 PolarHBondContact N-O 2.9Å
261	G	93.3	Very high	96.6	Very high	77 Å²	77	57.1 Å²	57.1	79%	0.794	31%	0.314	S	S	*	.	S	Bend	trans	96.4	-6.1	179.3	0	0	0	0	0	114.6
262	D	93.1	Very high	97	Very high	109 Å²	109	55.2 Å²	55.2	58%	0.583	31%	0.306	S	S	*	.	S	Bend	trans	-116	32	-179.6	64.7	-5.2	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.47Å; D262-T264 PolarHBondContact O-N 3.24Å; D262-T264 WeakPolarHBondContact OD1-CB 3.39Å; D262-T264 PolarHBondContact OD1-N 2.82Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.27Å
263	R	93.1	Very high	97.1	Very high	61 Å²	61	54.1 Å²	54.1	23%	0.23	30%	0.299	C	S	.	.	S	Bend	trans	73.3	-19.9	-170	-179.4	-177	169.4	-137.3	-13.2	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.84Å; T202-R263 VanDerWaalsContact CA-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 3.11Å; T202-R263 PolarHBondContact O-NH2 3.3Å; Y233-R263 HydrophobicContact CD2-CG 3.92Å; Y233-R263 HydrophobicContact CE2-CG 4.12Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.3Å; R263-F265 WeakPolarHBondContact O-CE2 3.24Å
264	T	97.4	Very high	97.1	Very high	18 Å²	18	50.8 Å²	50.8	11%	0.11	29%	0.288	C	S	.	.			trans	-84.8	168.8	-179.6	75.7	0	0	0	0	112.8	F232 A260 D262	F232-T264 CarbonylContact O-C 3.51Å; F232-T264 WeakPolarHBondContact O-CA 3.26Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 WeakPolarHBondContact CB-OG1 3.41Å; A260-T264 PolarHBondContact N-O 2.9Å; D262-T264 PolarHBondContact O-N 3.24Å; D262-T264 WeakPolarHBondContact OD1-CB 3.39Å; D262-T264 PolarHBondContact OD1-N 2.82Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.27Å
265	F	98.5	Very high	96.9	Very high	25 Å²	25	49.3 Å²	49.3	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	163.8	-179.7	-64.5	-87.8	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.45Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.39Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.9Å; F232-F265 PolarHBondContact O-N 3.4Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.64Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.65Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.42Å; P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.24Å
266	Q	98.4	Very high	96.7	Very high	44 Å²	44	51 Å²	51	21%	0.206	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.2	173.7	44.1	168.5	-21.1	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.34Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.28Å; R258-Q266 WeakPolarHBondContact O-CG 3.39Å; R258-Q266 PolarHBondContact O-N 3.29Å
267	K	98.6	Very high	96.7	Very high	17 Å²	17	45.7 Å²	45.7	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.1	176.5	-161.7	-176.8	-171.8	70.1	0	108.7	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.08Å; A229-K267 PolarHBondContact O-N 3Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.33Å; V255-K267 PolarHBondContact O-NZ 3.24Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 3.24Å
268	W	98.4	Very high	96.5	Very high	25 Å²	25	44.6 Å²	44.6	10%	0.095	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156	169.3	59.4	-99.8	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.5Å; C227-W268 WeakPolarHBondContact O-CA 3.49Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.17Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.2Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.18Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.37Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.48Å; V255-W268 PolarHBondContact N-O 3.49Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.4	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.5	173.8	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.46Å; C227-A269 PolarHBondContact N-O 3.44Å; C227-A269 PolarHBondContact O-N 2.91Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; W241-A269 PolarHBondContact NE1-O 3.32Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.25Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270	A	98.3	Very high	96.4	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.3	-179.8	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.48Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.33Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.27Å; E253-A270 PolarHBondContact O-N 2.98Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	98.1	Very high	96.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.6	176	62.8	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.16Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.13Å; L225-V271 PolarHBondContact O-N 2.73Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.37Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.41Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å
272	V	97.9	Very high	96.7	Very high	72 Å²	72	39.6 Å²	39.6	44%	0.436	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.3	171.2	-179.6	0	0	0	0	108.1	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.07Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.25Å
273	V	97.1	Very high	97	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.7	-175.7	-51.5	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.31Å; A223-V273 PolarHBondContact N-O 3.14Å; A223-V273 PolarHBondContact O-N 2.78Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.95Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.9	Very high	97.2	Very high	45 Å²	45	33.2 Å²	33.2	29%	0.292	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.8	170.1	-20.1	32.2	0	0	0	111.3	H221 G276 E277	H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.43Å; P274-G276 PolarHBondContact O-N 2.83Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.41Å; P274-E277 PolarHBondContact O-N 3.03Å
275	S	93.6	Very high	97.2	Very high	56 Å²	56	32.3 Å²	32.3	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	129.6	176.6	-62.9	0	0	0	0	111.2	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 3.36Å; H221-S275 PolarHBondContact O-OG 2.88Å; E222-S275 PolarHBondContact N-OG 3.1Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.47Å
276	G	92.6	Very high	97.2	Very high	68 Å²	68	33.7 Å²	33.7	70%	0.701	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-6.6	-176.6	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 2.83Å; G276-E278 WeakPolarHBondContact CA-OE2 3.5Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.74Å; G276-E278 PolarHBondContact N-OE2 2.82Å
277	E	96.1	Very high	97.1	Very high	52 Å²	52	32.1 Å²	32.1	24%	0.243	18%	0.179	C	C	.	.			trans	-99.8	3.7	176.2	-65.5	-159.3	-157	0	0	113.8	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.48Å; R243-E277 IonicContact NE-OE2 3.8Å; R243-E277 IonicContact NH2-OE1 3.67Å; R243-E277 IonicContact NH2-OE2 2.7Å; R243-E277 PolarHBondContact NH2-OE2 2.82Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.41Å; P274-E277 PolarHBondContact O-N 3.03Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.28Å; E277-R280 WeakPolarHBondContact O-CB 3.2Å; E277-R280 PolarHBondContact O-N 2.99Å; E277-R280 IonicContact OE1-NH1 2.62Å; E277-R280 IonicContact OE2-CZ 3.39Å; E277-R280 IonicContact OE2-NE 2.82Å; E277-R280 IonicContact OE2-NH1 3.11Å; E277-R280 PolarHBondContact OE2-NH1 2.97Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å
278	E	95.6	Very high	96.9	Very high	18 Å²	18	35 Å²	35	8%	0.084	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.3	-32.6	-170.6	-57.6	80.7	-177.1	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.3Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.3Å; V273-E278 HydrophobicContact CG2-CG 3.95Å; S275-E278 WeakPolarHBondContact CA-OE1 3.47Å; G276-E278 WeakPolarHBondContact CA-OE2 3.5Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.74Å; G276-E278 PolarHBondContact N-OE2 2.82Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.16Å; E278-Y281 PolarHBondContact O-N 3.45Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.9Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å
279	Q	95.7	Very high	96.6	Very high	95 Å²	95	34.8 Å²	34.8	44%	0.444	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-72.7	-16.5	-179.2	-62.7	-56.5	-45.6	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.28Å; Q279-R297 PolarHBondContact O-NE 3.08Å; Q279-W298 PolarHBondContact NE2-O 2.84Å
280	R	97.1	Very high	96.5	Very high	100 Å²	100	36 Å²	36	38%	0.377	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-75.6	-17.5	172.8	-63.5	173.8	67.5	178.4	5.7	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.37Å; R243-R280 HydrophobicContact CG-CB 4.4Å; D244-R280 PolarHBondContact N-O 2.85Å; D244-R280 IonicContact OD1-NE 2.82Å; D244-R280 PolarHBondContact OD1-NE 3.11Å; D244-R280 IonicContact OD2-CZ 3.74Å; D244-R280 IonicContact OD2-NE 3.98Å; D244-R280 PolarHBondContact OD2-NE 3.05Å; D244-R280 IonicContact OD2-NH2 2.69Å; D244-R280 PolarHBondContact OD2-NH2 2.87Å; E277-R280 WeakPolarHBondContact O-CB 3.2Å; E277-R280 PolarHBondContact O-N 2.99Å; E277-R280 IonicContact OE1-NH1 2.62Å; E277-R280 IonicContact OE2-CZ 3.39Å; E277-R280 IonicContact OE2-NE 2.82Å; E277-R280 IonicContact OE2-NH1 3.11Å; E277-R280 PolarHBondContact OE2-NH1 2.97Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.16Å
281	Y	97.9	Very high	96.3	Very high	8 Å²	8	42.3 Å²	42.3	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.6	-177.5	-69.4	-100.2	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.15Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 WeakPolarHBondContact CD-OH 3.48Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.05Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E278-Y281 PolarHBondContact O-N 3.45Å
282	T	98.1	Very high	96.1	Very high	12 Å²	12	49.3 Å²	49.3	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.9	176	48	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.48Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 2.82Å; Q242-T282 PolarHBondContact O-N 3.13Å; T282-H284 PolarHBondContact OG1-NE2 3.06Å; T282-T295 HydrophobicContact CG2-CG2 3.96Å; T282-L296 CarbonylContact C-O 3.41Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; T282-R297 HydrophobicContact CG2-CG 3.65Å
283	C	98.3	Very high	96	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.2	169.7	174.9	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.31Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.12Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.45Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 3.3Å; C283-L296 PolarHBondContact O-N 2.86Å
284	H	98.1	Very high	96	Very high	36 Å²	36	51.6 Å²	51.6	17%	0.167	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.1	176.4	-64.7	-108.9	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.41Å; T240-H284 PolarHBondContact N-O 2.95Å; T240-H284 PolarHBondContact O-N 3.45Å; T240-H284 WeakPolarHBondContact OG1-CB 3.32Å; Q242-H284 PolarHBondContact OE1-NE2 3.45Å; T282-H284 PolarHBondContact OG1-NE2 3.06Å; H284-L294 WeakPolarHBondContact CA-O 3.41Å; H284-T295 PolarHBondContact ND1-OG1 3.12Å
285	V	98.3	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.4	-178.3	-174.1	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 3.99Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.35Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; V285-P293 WeakPolarHBondContact O-CA 3.44Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.06Å; V285-L294 PolarHBondContact O-N 3.32Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å
286	Q	97.6	Very high	96.2	Very high	54 Å²	54	52.1 Å²	52.1	25%	0.252	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.5	174.3	-54.2	179.2	8.1	0	0	109.3	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.1Å; T238-Q286 PolarHBondContact N-O 2.88Å; T238-Q286 PolarHBondContact O-N 3.38Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.15Å
287	H	96.4	Very high	96.4	Very high	11 Å²	11	55.6 Å²	55.6	5%	0.051	28%	0.279	C	S	.	.			trans	-158.6	147.4	-178	-173.9	-99	0	0	0	109.7	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.71Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 2.82Å; P234-H287 PolarHBondContact O-NE2 3.4Å; E236-H287 PolarHBondContact O-CD2 2.91Å; I237-H287 HydrophobicContact CD1-CB 4.36Å; I237-H287 HydrophobicContact CG1-CB 4.11Å; H287-G289 PolarHBondContact ND1-N 3.01Å; H287-G289 PolarHBondContact O-N 3.13Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.15Å; H287-L290 WeakPolarHBondContact O-CB 3.23Å; H287-L290 PolarHBondContact O-N 2.86Å
288	E	93.5	Very high	96.4	Very high	78 Å²	78	55.4 Å²	55.4	36%	0.364	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-37.1	-179.9	-167	-175.2	161.7	0	0	112.9	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CG 4.43Å; W23-E288 HydrophobicContact CE3-CB 4Å; W23-E288 VanDerWaalsContact O-CD 3.28Å; A206-E288 HydrophobicContact CB-CB 4.31Å; A206-E288 HydrophobicContact CB-CG 4.31Å; P234-E288 WeakPolarHBondContact CG-OE2 3.25Å; E288-L290 PolarHBondContact O-N 2.74Å
289	G	93.9	Very high	96.1	Very high	20 Å²	20	62.5 Å²	62.5	21%	0.206	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.3	-179.7	0	0	0	0	0	113.8	H287	H287-G289 PolarHBondContact ND1-N 3.01Å; H287-G289 PolarHBondContact O-N 3.13Å
290	L	95.6	Very high	95.5	Very high	26 Å²	26	61.8 Å²	61.8	14%	0.136	31%	0.313	C	S	.	.			trans	-95.6	126.1	179.3	-65.8	171.3	0	0	0	110.8	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.92Å; P208-L290 HydrophobicContact CB-CG 4.46Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.15Å; H287-L290 WeakPolarHBondContact O-CB 3.23Å; H287-L290 PolarHBondContact O-N 2.86Å; E288-L290 PolarHBondContact O-N 2.74Å; L290-K292 WeakPolarHBondContact CB-O 3.35Å; L290-K292 PolarHBondContact O-N 2.8Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	P	93.4	Very high	93.9	Very high	133 Å²	133	61.9 Å²	61.9	86%	0.864	33%	0.329	S	S	*	.	S	Bend	trans	-66.8	-21.4	177	28.1	-35.4	0	0	0	112.8
292	K	93.6	Very high	91.6	Very high	150 Å²	150	66.9 Å²	66.9	65%	0.652	37%	0.365	S	S	*	.	S	Bend	trans	-150.7	150.8	172.2	58.8	178.4	176.9	176.9	0	109.2	L290	L290-K292 WeakPolarHBondContact CB-O 3.35Å; L290-K292 PolarHBondContact O-N 2.8Å
293	P	95.8	Very high	89.1	Confident	68 Å²	68	74.3 Å²	74.3	44%	0.442	40%	0.399	S	S	.	.			trans	-52	142.2	172.4	-27.7	36.1	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.44Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.15Å
294	L	96.9	Very high	86.4	Confident	53 Å²	53	78.6 Å²	78.6	28%	0.277	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	146.1	174.1	-62.5	178.4	0	0	0	110.2	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.27Å; H284-L294 WeakPolarHBondContact CA-O 3.41Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.06Å; V285-L294 PolarHBondContact O-N 3.32Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L294-L296 HydrophobicContact CB-CD1 4.08Å
295	T	97.9	Very high	83.9	Confident	84 Å²	84	83 Å²	83	52%	0.515	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.9	171.6	-56.5	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.96Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.45Å; H284-T295 PolarHBondContact ND1-OG1 3.12Å
296	L	97.3	Very high	81.6	Confident	28 Å²	28	87.7 Å²	87.7	15%	0.147	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.6	-177.3	-61.3	101.7	0	0	0	110.4	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.44Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.47Å; V213-L296 HydrophobicContact CG2-CB 3.81Å; T282-L296 CarbonylContact C-O 3.41Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 3.3Å; C283-L296 PolarHBondContact O-N 2.86Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å; L294-L296 HydrophobicContact CB-CD1 4.08Å
297	R	96.5	Very high	79.6	Confident	142 Å²	142	89 Å²	89	54%	0.536	50%	0.496	S	S	.	.			trans	-114.1	163.5	163.6	-71.4	-171.8	174.1	119.9	3.1	109.1	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.08Å; T282-R297 HydrophobicContact CG2-CG 3.65Å; R297-E299 PolarHBondContact O-N 3.19Å
298	W	96.2	Very high	77.9	Confident	47 Å²	47	94.3 Å²	94.3	18%	0.178	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-68.8	121.4	165.9	171.3	57.4	0	0	0	109.8	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.5Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.97Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 3.97Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.9Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å; Q279-W298 PolarHBondContact NE2-O 2.84Å; W298-P300 HydrophobicContact CE3-CG 4.31Å; W298-P300 HydrophobicContact CH2-CB 4.15Å; W298-P300 HydrophobicContact CH2-CG 3.87Å; W298-P300 HydrophobicContact CZ2-CB 3.95Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å
299	E	89.9	Confident	76.4	Confident	168 Å²	168	96.3 Å²	96.3	79%	0.785	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-98.5	117.9	168.4	-70.8	-178.9	175.1	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 3.19Å; E299-S301 PolarHBondContact O-N 3.27Å; E299-S301 VanDerWaalsContact O-N 3.1Å
300	P	82.4	Confident	75.2	Confident	79 Å²	79	97.5 Å²	97.5	51%	0.513	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-56.6	120.9	170.9	-18.8	29.1	0	0	0	107.7	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.31Å; W298-P300 HydrophobicContact CH2-CB 4.15Å; W298-P300 HydrophobicContact CH2-CG 3.87Å; W298-P300 HydrophobicContact CZ2-CB 3.95Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å; P300-S302 PolarHBondContact O-N 3.09Å
301	S	64.7	Low	74.2	Confident	103 Å²	103	100.8 Å²	100.8	72%	0.72	57%	0.569	S	S	*	*			trans	-51.8	113.1	-179.9	44.2	0	0	0	0	109	E299 Q303	E299-S301 PolarHBondContact O-N 3.27Å; E299-S301 VanDerWaalsContact O-N 3.1Å; S301-Q303 PolarHBondContact O-N 3.19Å
302	S	48.2	Very low	73.4	Confident	113 Å²	113	98.7 Å²	98.7	79%	0.79	55%	0.554	S	S	*	*			trans	-69.2	72.9	162.3	61.9	0	0	0	0	106.7	P300 S304	P300-S302 PolarHBondContact O-N 3.09Å; S302-S304 PolarHBondContact O-N 2.94Å
303	Q	45.9	Very low	72.7	Confident	167 Å²	167	94.1 Å²	94.1	78%	0.78	54%	0.544	S	S	*	.			trans	-61.7	85.6	147.2	-84.2	-173	-11.9	0	0	104	S301 T305	S301-Q303 PolarHBondContact O-N 3.19Å; Q303-T305 PolarHBondContact O-N 2.9Å; Q303-T305 PolarHBondContact O-OG1 3.28Å
304	S	41.4	Very low	72.1	Confident	90 Å²	90	92.6 Å²	92.6	63%	0.629	54%	0.541	S	S	*	.			trans	-49.6	101.3	163.3	174.1	0	0	0	0	103.7	S302 I306	S302-S304 PolarHBondContact O-N 2.94Å; S304-I306 PolarHBondContact O-N 3.39Å
305	T	46.7	Very low	71.6	Confident	129 Å²	129	95.3 Å²	95.3	79%	0.791	56%	0.555	S	S	*	*			trans	-65.6	76	158.5	-25.2	0	0	0	0	103	Q303 P307	Q303-T305 PolarHBondContact O-N 2.9Å; Q303-T305 PolarHBondContact O-OG1 3.28Å; T305-P307 WeakPolarHBondContact O-CD 3.44Å
306	I	50.5	Low	71	Confident	98 Å²	98	94 Å²	94	50%	0.503	55%	0.552	S	S	.	*			trans	-47.2	121.1	155.9	-61.9	176.8	0	0	0	101.7	S304 I308 I311	S304-I306 PolarHBondContact O-N 3.39Å; I306-I308 WeakPolarHBondContact O-CG1 3.39Å; I306-I308 PolarHBondContact O-N 3.07Å; I306-I311 HydrophobicContact CG2-CD1 4.14Å
307	P	54.7	Low	70.5	Confident	82 Å²	82	97.2 Å²	97.2	53%	0.532	57%	0.573	S	S	.	*			trans	-72.4	78.2	-174.7	29.4	-32.6	0	0	0	106.2	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.44Å; P307-V309 PolarHBondContact O-N 3.29Å; P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3Å; P307-I311 PolarHBondContact O-N 2.94Å
308	I	59.9	Low	70	Confident	122 Å²	122	95.6 Å²	95.6	63%	0.626	58%	0.575	S	S	*	*	H	α-helix	trans	-54.8	-35.6	174.1	-66.6	169.5	0	0	0	107.2	I306 G310 I311 V312	I306-I308 WeakPolarHBondContact O-CG1 3.39Å; I306-I308 PolarHBondContact O-N 3.07Å; I308-G310 PolarHBondContact O-N 3.42Å; I308-I311 PolarHBondContact O-N 3.29Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.35Å; I308-V312 WeakPolarHBondContact O-CG2 3.27Å; I308-V312 PolarHBondContact O-N 2.98Å
309	V	62.5	Low	69.5	Low	121 Å²	121	95.9 Å²	95.9	73%	0.733	59%	0.587	S	S	*	*	H	α-helix	trans	-59.2	-42.2	171.2	-176.7	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.29Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 3.41Å
310	G	68.6	Low	69.4	Low	44 Å²	44	92.8 Å²	92.8	45%	0.454	58%	0.579	S	S	.	*	H	α-helix	trans	-69.1	-38.6	178.8	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3Å; I308-G310 PolarHBondContact O-N 3.42Å; G310-G314 PolarHBondContact O-N 2.89Å
311	I	74.8	Confident	69.6	Low	95 Å²	95	93.4 Å²	93.4	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-69.1	-43.7	175.9	-62.2	173.7	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.14Å; P307-I311 PolarHBondContact O-N 2.94Å; I308-I311 PolarHBondContact O-N 3.29Å; I311-G314 PolarHBondContact O-N 3.31Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 WeakPolarHBondContact O-CG 2.97Å; I311-L315 PolarHBondContact O-N 3.49Å
312	V	77.3	Confident	70.6	Confident	90 Å²	90	92.4 Å²	92.4	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-64.8	-43.6	177.6	172	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.35Å; I308-V312 WeakPolarHBondContact O-CG2 3.27Å; I308-V312 PolarHBondContact O-N 2.98Å; V312-L315 PolarHBondContact O-N 2.88Å; V312-A316 WeakPolarHBondContact O-CB 3.08Å; V312-A316 PolarHBondContact O-N 3.11Å
313	A	78.8	Confident	72.3	Confident	53 Å²	53	92.3 Å²	92.3	44%	0.438	56%	0.56	S	S	.	*	H	α-helix	trans	-62.7	-43.5	175	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 3.41Å; A313-A316 PolarHBondContact O-N 3.35Å; A313-V317 WeakPolarHBondContact O-CG2 3.31Å; A313-V317 PolarHBondContact O-N 3.4Å
314	G	83.1	Confident	74	Confident	37 Å²	37	86.2 Å²	86.2	38%	0.381	54%	0.543	S	S	.	.	H	α-helix	trans	-60.9	-44.4	176.8	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.89Å; I311-G314 PolarHBondContact O-N 3.31Å; G314-V317 PolarHBondContact O-N 3.21Å; G314-L318 PolarHBondContact O-N 2.89Å
315	L	86.5	Confident	75.9	Confident	110 Å²	110	84.6 Å²	84.6	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-66.6	-38.6	177.2	-73.2	171.1	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 WeakPolarHBondContact O-CG 2.97Å; I311-L315 PolarHBondContact O-N 3.49Å; V312-L315 PolarHBondContact O-N 2.88Å; L315-L318 PolarHBondContact O-N 3.37Å; L315-A319 PolarHBondContact O-N 3.24Å
316	A	84.7	Confident	77.6	Confident	55 Å²	55	82.2 Å²	82.2	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-43.2	176.4	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.08Å; V312-A316 PolarHBondContact O-N 3.11Å; A313-A316 PolarHBondContact O-N 3.35Å; A316-A319 PolarHBondContact O-N 2.72Å; A316-V320 WeakPolarHBondContact O-CG2 3.47Å; A316-V320 PolarHBondContact O-N 3.43Å; A316-V320 VanDerWaalsContact O-N 3.12Å
317	V	86.7	Confident	79	Confident	97 Å²	97	81.1 Å²	81.1	59%	0.588	52%	0.517	S	S	*	.	H	α-helix	trans	-63.5	-44.2	176.3	173.6	0	0	0	0	111	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.31Å; A313-V317 PolarHBondContact O-N 3.4Å; G314-V317 PolarHBondContact O-N 3.21Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.63Å; V317-V320 PolarHBondContact O-N 3.28Å; V317-V321 WeakPolarHBondContact O-CG2 3.45Å; V317-V321 PolarHBondContact O-N 3.35Å
318	L	87.3	Confident	80.1	Confident	108 Å²	108	79.7 Å²	79.7	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-59.2	-43.9	176.4	-109	155.9	0	0	0	112.2	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 2.89Å; L315-L318 PolarHBondContact O-N 3.37Å; L318-V320 PolarHBondContact O-N 3.03Å; L318-V321 PolarHBondContact O-N 3.34Å; L318-V322 VanDerWaalsContact O-CG2 3.31Å; L318-V322 WeakPolarHBondContact O-CG2 3.42Å; L318-V322 PolarHBondContact O-N 2.71Å
319	A	85.9	Confident	80.7	Confident	52 Å²	52	77.7 Å²	77.7	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-43.1	177.5	0	0	0	0	0	112.1	L315 A316 V317 V322 I323	L315-A319 PolarHBondContact O-N 3.24Å; A316-A319 PolarHBondContact O-N 2.72Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.63Å; A319-V322 PolarHBondContact O-N 2.73Å; A319-I323 WeakPolarHBondContact O-CD1 3.35Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.48Å; A319-I323 PolarHBondContact O-N 3.04Å
320	V	86.2	Confident	81.3	Confident	103 Å²	103	75.7 Å²	75.7	62%	0.624	49%	0.494	S	S	*	.	H	α-helix	trans	-63.6	-42.4	177.4	173.6	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.47Å; A316-V320 PolarHBondContact O-N 3.43Å; A316-V320 VanDerWaalsContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 3.28Å; L318-V320 PolarHBondContact O-N 3.03Å; V320-I323 PolarHBondContact O-N 3.31Å; V320-G324 PolarHBondContact O-N 2.75Å
321	V	87.1	Confident	81.4	Confident	93 Å²	93	79.8 Å²	79.8	56%	0.564	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-44.1	178	172.5	0	0	0	0	111.3	V317 L318 G324 A325	V317-V321 WeakPolarHBondContact O-CG2 3.45Å; V317-V321 PolarHBondContact O-N 3.35Å; L318-V321 PolarHBondContact O-N 3.34Å; V321-G324 PolarHBondContact O-N 2.97Å; V321-A325 WeakPolarHBondContact O-CB 3.49Å; V321-A325 PolarHBondContact O-N 3.5Å
322	V	85.3	Confident	81.2	Confident	81 Å²	81	79.5 Å²	79.5	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-45.8	178.8	172.8	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.31Å; L318-V322 WeakPolarHBondContact O-CG2 3.42Å; L318-V322 PolarHBondContact O-N 2.71Å; A319-V322 PolarHBondContact O-N 2.73Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.91Å; V322-A325 PolarHBondContact O-N 3.32Å; V322-V326 HydrophobicContact CG1-CG2 4.49Å; V322-V326 VanDerWaalsContact O-CG2 3.32Å; V322-V326 WeakPolarHBondContact O-CG2 3.19Å; V322-V326 PolarHBondContact O-N 2.89Å
323	I	84.3	Confident	80.6	Confident	111 Å²	111	84.7 Å²	84.7	57%	0.569	52%	0.518	S	S	*	.	H	α-helix	trans	-60.8	-44.8	176.7	-67.1	165.8	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CD1 3.35Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.48Å; A319-I323 PolarHBondContact O-N 3.04Å; V320-I323 PolarHBondContact O-N 3.31Å; I323-A325 PolarHBondContact O-N 2.95Å; I323-V326 PolarHBondContact O-N 3.33Å; I323-V327 HydrophobicContact CG2-CG2 4.38Å; I323-V327 WeakPolarHBondContact O-CG2 3.32Å; I323-V327 PolarHBondContact O-N 3.21Å
324	G	82.9	Confident	79.7	Confident	40 Å²	40	92.2 Å²	92.2	41%	0.412	54%	0.535	S	S	.	.	H	α-helix	trans	-58.6	-44.4	176.4	0	0	0	0	0	113.1	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.75Å; V321-G324 PolarHBondContact O-N 2.97Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.91Å; G324-V327 PolarHBondContact O-N 3.28Å; G324-A328 WeakPolarHBondContact O-CB 3.33Å; G324-A328 PolarHBondContact O-N 2.91Å
325	A	80.9	Confident	78.3	Confident	55 Å²	55	99.8 Å²	99.8	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-65.8	-38.9	177.8	0	0	0	0	0	112.6	V321 V322 I323 T329	V321-A325 WeakPolarHBondContact O-CB 3.49Å; V321-A325 PolarHBondContact O-N 3.5Å; V322-A325 PolarHBondContact O-N 3.32Å; I323-A325 PolarHBondContact O-N 2.95Å; A325-T329 WeakPolarHBondContact O-CB 3.4Å; A325-T329 WeakPolarHBondContact O-CG2 3.13Å; A325-T329 PolarHBondContact O-N 3.38Å; A325-T329 PolarHBondContact O-OG1 3.44Å
326	V	82.2	Confident	76.8	Confident	80 Å²	80	99.2 Å²	99.2	49%	0.485	56%	0.563	S	S	.	*	H	α-helix	trans	-66.5	-43.9	175.9	173.1	0	0	0	0	110.8	V322 I323 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.49Å; V322-V326 VanDerWaalsContact O-CG2 3.32Å; V322-V326 WeakPolarHBondContact O-CG2 3.19Å; V322-V326 PolarHBondContact O-N 2.89Å; I323-V326 PolarHBondContact O-N 3.33Å; V326-T329 WeakPolarHBondContact CA-OG1 3.2Å; V326-T329 PolarHBondContact O-N 3.05Å; V326-T329 PolarHBondContact O-OG1 2.99Å; V326-V330 HydrophobicContact CG1-CG2 4.41Å; V326-V330 WeakPolarHBondContact O-CB 3.39Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.35Å; V326-V330 PolarHBondContact O-N 2.96Å
327	V	80.1	Confident	75.2	Confident	75 Å²	75	104.1 Å²	104.1	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-63.4	-44.8	177	173	0	0	0	0	110.8	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.38Å; I323-V327 WeakPolarHBondContact O-CG2 3.32Å; I323-V327 PolarHBondContact O-N 3.21Å; G324-V327 PolarHBondContact O-N 3.28Å; V327-T329 PolarHBondContact O-N 2.93Å; V327-V330 PolarHBondContact O-N 2.97Å; V327-M331 HydrophobicContact CG1-CG 4.35Å; V327-M331 HydrophobicContact CG1-SD 4.03Å; V327-M331 WeakPolarHBondContact O-CB 3.39Å; V327-M331 WeakPolarHBondContact O-CG 3.43Å; V327-M331 PolarHBondContact O-N 3.36Å
328	A	76.6	Confident	74.6	Confident	51 Å²	51	104.5 Å²	104.5	42%	0.421	59%	0.594	S	S	.	*	H	α-helix	trans	-61.4	-43.7	177.7	0	0	0	0	0	112.3	G324 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.33Å; G324-A328 PolarHBondContact O-N 2.91Å; A328-M331 PolarHBondContact O-N 3.23Å; A328-C332 WeakPolarHBondContact O-CB 3.41Å; A328-C332 PolarHBondContact O-N 3.47Å; A328-C332 PolarHBondContact O-SG 2.96Å; A328-C332 VanDerWaalsContact O-SG 3.41Å
329	T	73.9	Confident	73.9	Confident	81 Å²	81	104.3 Å²	104.3	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-67.1	-38.9	177.7	46.9	0	0	0	0	112.6	A325 V326 V327 C332 R333	A325-T329 WeakPolarHBondContact O-CB 3.4Å; A325-T329 WeakPolarHBondContact O-CG2 3.13Å; A325-T329 PolarHBondContact O-N 3.38Å; A325-T329 PolarHBondContact O-OG1 3.44Å; V326-T329 WeakPolarHBondContact CA-OG1 3.2Å; V326-T329 PolarHBondContact O-N 3.05Å; V326-T329 PolarHBondContact O-OG1 2.99Å; V327-T329 PolarHBondContact O-N 2.93Å; T329-C332 PolarHBondContact O-N 3.16Å; T329-R333 WeakPolarHBondContact O-CB 3.18Å; T329-R333 WeakPolarHBondContact O-CG 3.15Å; T329-R333 PolarHBondContact O-N 3.46Å
330	V	73.8	Confident	73.2	Confident	79 Å²	79	107.2 Å²	107.2	48%	0.479	61%	0.605	S	S	.	*	H	α-helix	trans	-65.6	-42.2	173.8	171	0	0	0	0	111.3	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.41Å; V326-V330 WeakPolarHBondContact O-CB 3.39Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.35Å; V326-V330 PolarHBondContact O-N 2.96Å; V327-V330 PolarHBondContact O-N 2.97Å; V330-R333 PolarHBondContact O-N 3.41Å; V330-R334 WeakPolarHBondContact O-CB 3.3Å; V330-R334 PolarHBondContact O-N 2.99Å
331	M	72.2	Confident	72.5	Confident	129 Å²	129	107.5 Å²	107.5	64%	0.635	60%	0.604	S	S	*	*	H	α-helix	trans	-65.6	-41.3	176.6	-74.5	-175.1	69.6	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.35Å; V327-M331 HydrophobicContact CG1-SD 4.03Å; V327-M331 WeakPolarHBondContact O-CB 3.39Å; V327-M331 WeakPolarHBondContact O-CG 3.43Å; V327-M331 PolarHBondContact O-N 3.36Å; A328-M331 PolarHBondContact O-N 3.23Å; M331-R334 PolarHBondContact O-N 3.37Å; M331-K335 PolarHBondContact O-N 2.66Å; M331-K335 VanDerWaalsContact O-N 3.15Å
332	C	69.2	Low	71.6	Confident	90 Å²	90	108.4 Å²	108.4	61%	0.608	61%	0.606	S	S	*	*	H	α-helix	trans	-61.2	-43.9	173.5	-76.9	0	0	0	0	111.4	A328 T329 R334 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.41Å; A328-C332 PolarHBondContact O-N 3.47Å; A328-C332 PolarHBondContact O-SG 2.96Å; A328-C332 VanDerWaalsContact O-SG 3.41Å; T329-C332 PolarHBondContact O-N 3.16Å; C332-R334 VanDerWaalsContact C-N 3.35Å; C332-R334 PolarHBondContact O-N 2.97Å; C332-K335 PolarHBondContact O-N 2.94Å; C332-S336 PolarHBondContact O-N 3.14Å; C332-S336 PolarHBondContact O-OG 2.62Å; C332-S336 VanDerWaalsContact O-OG 3.06Å
333	R	64.7	Low	70.6	Confident	199 Å²	199	110.2 Å²	110.2	75%	0.751	61%	0.614	S	S	*	*	H	α-helix	trans	-65.2	-34.4	177.1	-79.4	-174.3	167	-179.8	-2.6	113.6	T329 V330 K335 S336	T329-R333 WeakPolarHBondContact O-CB 3.18Å; T329-R333 WeakPolarHBondContact O-CG 3.15Å; T329-R333 PolarHBondContact O-N 3.46Å; V330-R333 PolarHBondContact O-N 3.41Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-S336 WeakPolarHBondContact CA-OG 3.46Å; R333-S336 PolarHBondContact O-OG 2.7Å; R333-S336 VanDerWaalsContact O-OG 3.12Å
334	R	59.5	Low	69.7	Low	211 Å²	211	110.1 Å²	110.1	80%	0.796	62%	0.617	S	S	*	*	H	α-helix	trans	-72.8	-20.6	175.6	-109.7	-176.5	168.4	179.2	-2.9	114	V330 M331 C332	V330-R334 WeakPolarHBondContact O-CB 3.3Å; V330-R334 PolarHBondContact O-N 2.99Å; M331-R334 PolarHBondContact O-N 3.37Å; C332-R334 VanDerWaalsContact C-N 3.35Å; C332-R334 PolarHBondContact O-N 2.97Å
335	K	55.3	Low	68.7	Low	196 Å²	196	115.5 Å²	115.5	85%	0.852	63%	0.633	S	S	*	*	H	α-helix	trans	-92.5	-11.7	179.6	-140.1	176	-174.6	-178.2	0	112.8	M331 C332 R333	M331-K335 PolarHBondContact O-N 2.66Å; M331-K335 VanDerWaalsContact O-N 3.15Å; C332-K335 PolarHBondContact O-N 2.94Å; R333-K335 VanDerWaalsContact C-N 3.31Å
336	S	54.1	Low	67.6	Low	98 Å²	98	120.6 Å²	120.6	69%	0.685	65%	0.647	S	S	*	*			trans	-106.3	9.5	178.7	54.7	0	0	0	0	113.8	C332 R333	C332-S336 PolarHBondContact O-N 3.14Å; C332-S336 PolarHBondContact O-OG 2.62Å; C332-S336 VanDerWaalsContact O-OG 3.06Å; R333-S336 WeakPolarHBondContact CA-OG 3.46Å; R333-S336 PolarHBondContact O-OG 2.7Å; R333-S336 VanDerWaalsContact O-OG 3.12Å
337	S	50.1	Low	66.3	Low	158 Å²	158	124.3 Å²	124.3	100%	1.105	66%	0.662	S	S	*	*			trans	-121.8	0	166.2	-176.9	0	0	0	0	108.5

Retrieved 337 of 337 residues in 269.3 ms (Link to these results)

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