A0A3Q0KVC5_SCHMA Loading...

Cdc50-related AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KVC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	55.2	Low	233 Å²	233	158.2 Å²	158.2	100%	1.148	87%	0.873	S	S	*	*				0	130.4	0	-72.2	177.8	179.4	0	0	107.7
2	S	45.2	Very low	56.7	Low	125 Å²	125	151.4 Å²	151.4	87%	0.874	85%	0.845	S	S	*	*			trans	71.6	139.9	158.6	-43.9	0	0	0	0	116.8
3	A	52.1	Low	58.6	Low	90 Å²	90	159.1 Å²	159.1	74%	0.744	85%	0.853	S	S	*	*			cis	-163.8	136.7	-11	0	0	0	0	0	106	L5	A3-L5 PolarHBondContact O-N 3.38Å
4	Q	50.3	Low	60.4	Low	196 Å²	196	160 Å²	160	92%	0.916	85%	0.845	S	S	*	*			trans	-73	114.4	170.6	-79.1	169.2	-48.4	0	0	109.2
5	L	59	Low	62	Low	163 Å²	163	156 Å²	156	85%	0.853	83%	0.832	S	S	*	*			trans	-96.2	109.9	165	-85.2	163.3	0	0	0	108.7	A3 E7	A3-L5 PolarHBondContact O-N 3.38Å; L5-E7 PolarHBondContact O-N 3.2Å
6	L	52.9	Low	63.3	Low	175 Å²	175	157.8 Å²	157.8	92%	0.916	82%	0.823	S	S	*	*			trans	-67.6	98.5	167.2	-87.4	141.4	0	0	0	109.3
7	E	60.6	Low	64.7	Low	189 Å²	189	156.6 Å²	156.6	88%	0.883	82%	0.819	S	S	*	*			trans	-84	119	165.3	-83.4	-172.5	156.6	0	0	110.4	L5	L5-E7 PolarHBondContact O-N 3.2Å
8	T	60.8	Low	66.1	Low	128 Å²	128	150.6 Å²	150.6	79%	0.785	79%	0.792	S	S	*	*			trans	-56.7	138.6	170.9	36.5	0	0	0	0	110.5	S10	T8-S10 PolarHBondContact O-N 2.92Å
9	P	59.1	Low	67.4	Low	126 Å²	126	145.1 Å²	145.1	82%	0.818	77%	0.77	S	S	*	*			trans	-63.9	110.9	-179.5	24.1	-30.3	0	0	0	109.5	K11	P9-K11 PolarHBondContact O-N 2.99Å
10	S	61.5	Low	68.6	Low	110 Å²	110	144.8 Å²	144.8	77%	0.769	76%	0.762	S	S	*	*			trans	-39.9	118	168.9	161.9	0	0	0	0	110.7	T8 S12	T8-S10 PolarHBondContact O-N 2.92Å; S10-S12 VanDerWaalsContact C-N 3.29Å; S10-S12 PolarHBondContact O-N 2.81Å
11	K	64.2	Low	69.7	Low	205 Å²	205	143 Å²	143	89%	0.891	75%	0.748	S	S	*	*			trans	-61.4	93.1	169.6	-89.2	-178.8	177	174.4	0	108.3	P9 R13	P9-K11 PolarHBondContact O-N 2.99Å; K11-R13 PolarHBondContact O-N 3.07Å
12	S	72.5	Confident	72.1	Confident	77 Å²	77	135 Å²	135	54%	0.538	71%	0.708	S	S	.	*			trans	-59.8	127.8	176.9	-169.9	0	0	0	0	110.4	S10 K14	S10-S12 VanDerWaalsContact C-N 3.29Å; S10-S12 PolarHBondContact O-N 2.81Å; S12-K14 PolarHBondContact O-N 3.32Å; S12-K14 WeakPolarHBondContact OG-CB 3.37Å; S12-K14 WeakPolarHBondContact OG-CG 3.44Å; S12-K14 PolarHBondContact OG-N 3.18Å
13	R	81.5	Confident	74.3	Confident	251 Å²	251	138 Å²	138	95%	0.947	71%	0.708	S	S	*	*			trans	-74.6	7.6	169.4	-66.2	-175.3	-179.4	-179.3	0.4	112.8	K11	K11-R13 PolarHBondContact O-N 3.07Å
14	K	83.4	Confident	76.2	Confident	172 Å²	172	140.8 Å²	140.8	75%	0.748	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-65.6	133.9	176.3	-74.7	-177.9	179.9	-178.9	0	109.4	S12	S12-K14 PolarHBondContact O-N 3.32Å; S12-K14 WeakPolarHBondContact OG-CB 3.37Å; S12-K14 WeakPolarHBondContact OG-CG 3.44Å; S12-K14 PolarHBondContact OG-N 3.18Å
15	P	84.3	Confident	78.3	Confident	100 Å²	100	136.4 Å²	136.4	65%	0.649	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.2	150.5	176.2	25.5	-33.4	0	0	0	110.3	N17	P15-N17 PolarHBondContact O-N 3.34Å; P15-N17 VanDerWaalsContact O-N 3.1Å
16	R	84.3	Confident	79.9	Confident	184 Å²	184	134.8 Å²	134.8	69%	0.694	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-57.9	118.3	177.7	-71.9	-177.8	172.9	177.6	-3.2	109.5	S18 F21 Q22	R16-S18 VanDerWaalsContact C-N 3.3Å; R16-S18 PolarHBondContact O-N 3.34Å; R16-F21 HydrophobicContact CB-CB 4.21Å; R16-F21 HydrophobicContact CB-CD2 3.5Å; R16-F21 HydrophobicContact CB-CE2 4.11Å; R16-F21 HydrophobicContact CB-CG 3.91Å; R16-F21 HydrophobicContact CG-CD2 4.32Å; R16-F21 HydrophobicContact CG-CE2 4.47Å; R16-F21 WeakPolarHBondContact O-CB 3.35Å; R16-Q22 PolarHBondContact O-NE2 3.5Å
17	N	86.8	Confident	81.9	Confident	139 Å²	139	129.9 Å²	129.9	74%	0.743	67%	0.67	S	S	*	*			trans	-91.1	57.4	-179	-169.1	20.3	0	0	0	111.2	P15	P15-N17 PolarHBondContact O-N 3.34Å; P15-N17 VanDerWaalsContact O-N 3.1Å
18	S	89	Confident	83.5	Confident	47 Å²	47	131.7 Å²	131.7	33%	0.329	67%	0.669	S	S	.	*	S	Bend	trans	-105	153.7	170.1	86.7	0	0	0	0	110.3	R16 F20 F21 Q22	R16-S18 VanDerWaalsContact C-N 3.3Å; R16-S18 PolarHBondContact O-N 3.34Å; S18-F20 PolarHBondContact O-N 3.2Å; S18-F20 VanDerWaalsContact O-N 3.14Å; S18-F21 PolarHBondContact O-N 2.98Å; S18-F21 VanDerWaalsContact O-N 3.1Å; S18-F21 WeakPolarHBondContact OG-CD2 3.49Å; S18-F21 PolarHBondContact OG-N 2.92Å; S18-Q22 WeakPolarHBondContact O-CB 3.33Å; S18-Q22 WeakPolarHBondContact O-CG 3.38Å; S18-Q22 PolarHBondContact O-N 3.44Å
19	A	90.6	Very high	84.9	Confident	47 Å²	47	133.2 Å²	133.2	39%	0.388	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.3	-33	178.9	0	0	0	0	0	112.8	Q23 K24 L25	A19-Q23 PolarHBondContact O-N 2.88Å; A19-K24 CarbonylContact O-C 3.56Å; A19-K24 PolarHBondContact O-N 3.1Å; A19-L25 HydrophobicContact CB-CD2 4.16Å; A19-L25 PolarHBondContact O-N 3.37Å
20	F	93	Very high	86.4	Confident	139 Å²	139	129.9 Å²	129.9	61%	0.61	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-54.4	173.6	179.3	-100.4	0	0	0	112.1	S18 Q22 Q23 L25	S18-F20 PolarHBondContact O-N 3.2Å; S18-F20 VanDerWaalsContact O-N 3.14Å; F20-Q22 VanDerWaalsContact C-N 3.28Å; F20-Q22 PolarHBondContact O-N 3.1Å; F20-Q23 PolarHBondContact O-N 3.24Å; F20-L25 HydrophobicContact CD2-CD1 4.02Å
21	F	90.2	Very high	87.6	Confident	107 Å²	107	131.2 Å²	131.2	47%	0.469	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.5	-26.1	-176.9	-70.1	-65.1	0	0	0	113.3	R16 S18	R16-F21 HydrophobicContact CB-CB 4.21Å; R16-F21 HydrophobicContact CB-CD2 3.5Å; R16-F21 HydrophobicContact CB-CE2 4.11Å; R16-F21 HydrophobicContact CB-CG 3.91Å; R16-F21 HydrophobicContact CG-CD2 4.32Å; R16-F21 HydrophobicContact CG-CE2 4.47Å; R16-F21 WeakPolarHBondContact O-CB 3.35Å; S18-F21 PolarHBondContact O-N 2.98Å; S18-F21 VanDerWaalsContact O-N 3.1Å; S18-F21 WeakPolarHBondContact OG-CD2 3.49Å; S18-F21 PolarHBondContact OG-N 2.92Å
22	Q	93.3	Very high	88.8	Confident	66 Å²	66	129.5 Å²	129.5	31%	0.308	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.9	2.8	177.4	-59.9	-61.7	-41.3	0	0	113	R16 S18 F20 K24	R16-Q22 PolarHBondContact O-NE2 3.5Å; S18-Q22 WeakPolarHBondContact O-CB 3.33Å; S18-Q22 WeakPolarHBondContact O-CG 3.38Å; S18-Q22 PolarHBondContact O-N 3.44Å; F20-Q22 VanDerWaalsContact C-N 3.28Å; F20-Q22 PolarHBondContact O-N 3.1Å; Q22-K24 HydrophobicContact CB-CD 4.19Å; Q22-K24 HydrophobicContact CB-CG 4.14Å; Q22-K24 WeakPolarHBondContact O-CG 3.33Å; Q22-K24 PolarHBondContact O-N 3.42Å
23	Q	91.2	Very high	89.6	Confident	186 Å²	186	128.6 Å²	128.6	87%	0.869	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.5	35.2	-176.3	-58.9	179.2	-25.3	0	0	113.6	A19 F20	A19-Q23 PolarHBondContact O-N 2.88Å; F20-Q23 PolarHBondContact O-N 3.24Å
24	K	92	Very high	90	Very high	150 Å²	150	118.2 Å²	118.2	65%	0.652	59%	0.593	S	S	*	*			trans	-108.4	25.5	177.2	-61.4	179.9	-176.1	178.4	0	112.2	A19 Q22	A19-K24 CarbonylContact O-C 3.56Å; A19-K24 PolarHBondContact O-N 3.1Å; Q22-K24 HydrophobicContact CB-CD 4.19Å; Q22-K24 HydrophobicContact CB-CG 4.14Å; Q22-K24 WeakPolarHBondContact O-CG 3.33Å; Q22-K24 PolarHBondContact O-N 3.42Å
25	L	94	Very high	90.4	Very high	104 Å²	104	115.2 Å²	115.2	55%	0.545	58%	0.58	S	S	.	*			trans	-61.7	138	173	-76.6	176.8	0	0	0	109.5	A19 F20 A27	A19-L25 HydrophobicContact CB-CD2 4.16Å; A19-L25 PolarHBondContact O-N 3.37Å; F20-L25 HydrophobicContact CD2-CD1 4.02Å; L25-A27 PolarHBondContact O-N 3.22Å
26	P	93.4	Very high	90.8	Very high	129 Å²	129	116.4 Å²	116.4	84%	0.838	58%	0.575	S	S	*	*			trans	-60.7	123.2	172.4	26.9	-33.1	0	0	0	108.4
27	A	93.7	Very high	91.3	Very high	71 Å²	71	108.7 Å²	108.7	59%	0.587	55%	0.549	S	S	*	.			trans	-123	137.9	179.9	0	0	0	0	0	109.7	L25 Q29	L25-A27 PolarHBondContact O-N 3.22Å; A27-Q29 HydrophobicContact CB-CG 4.26Å; A27-Q29 PolarHBondContact O-N 3.31Å
28	W	94	Very high	91.7	Very high	228 Å²	228	102.1 Å²	102.1	86%	0.864	51%	0.514	S	S	*	.			trans	-78.8	116.9	165.2	177.9	51.7	0	0	0	108.7	P30	W28-P30 VanDerWaalsContact C-CD 3.42Å; W28-P30 HydrophobicContact CD2-CG 4.16Å; W28-P30 HydrophobicContact CE3-CG 4.25Å; W28-P30 HydrophobicContact CH2-CB 4.35Å; W28-P30 HydrophobicContact CH2-CG 4.16Å; W28-P30 HydrophobicContact CZ2-CB 3.84Å; W28-P30 HydrophobicContact CZ2-CG 4.05Å; W28-P30 HydrophobicContact CZ3-CG 4.26Å; W28-P30 WeakPolarHBondContact O-CD 3.08Å
29	Q	90.8	Very high	92	Very high	160 Å²	160	103.9 Å²	103.9	75%	0.748	52%	0.519	S	S	*	.			trans	-114.9	73.7	-176.1	-65.6	179.7	-24	0	0	110.5	A27 M31	A27-Q29 HydrophobicContact CB-CG 4.26Å; A27-Q29 PolarHBondContact O-N 3.31Å; Q29-M31 PolarHBondContact O-N 3.15Å
30	P	89.9	Confident	92.2	Very high	55 Å²	55	103.7 Å²	103.7	36%	0.357	52%	0.517	S	S	.	.			trans	-64.7	120	-179.6	26.8	-33.2	0	0	0	110.5	W28	W28-P30 VanDerWaalsContact C-CD 3.42Å; W28-P30 HydrophobicContact CD2-CG 4.16Å; W28-P30 HydrophobicContact CE3-CG 4.25Å; W28-P30 HydrophobicContact CH2-CB 4.35Å; W28-P30 HydrophobicContact CH2-CG 4.16Å; W28-P30 HydrophobicContact CZ2-CB 3.84Å; W28-P30 HydrophobicContact CZ2-CG 4.05Å; W28-P30 HydrophobicContact CZ3-CG 4.26Å; W28-P30 WeakPolarHBondContact O-CD 3.08Å
31	M	88.5	Confident	92.4	Very high	138 Å²	138	100 Å²	100	68%	0.68	50%	0.501	S	S	*	.			trans	-93.1	114.8	173.6	-60.4	-159.5	-48.5	0	0	111.1	Q29 T33	Q29-M31 PolarHBondContact O-N 3.15Å; M31-T33 PolarHBondContact O-N 3.49Å; M31-T33 VanDerWaalsContact O-N 3.12Å
32	F	88.5	Confident	92.7	Very high	170 Å²	170	96.5 Å²	96.5	75%	0.746	49%	0.488	S	S	*	.			trans	-80.9	83.5	174.6	-65	-76	0	0	0	111.1
33	T	90.2	Very high	92.9	Very high	57 Å²	57	97.1 Å²	97.1	35%	0.35	50%	0.496	S	S	.	.			trans	-74.5	152.4	172.1	61.6	0	0	0	0	111.1	M31 K35 K36 S37	M31-T33 PolarHBondContact O-N 3.49Å; M31-T33 VanDerWaalsContact O-N 3.12Å; T33-K35 PolarHBondContact O-N 3.18Å; T33-K35 VanDerWaalsContact O-N 3.09Å; T33-K36 PolarHBondContact O-N 3.14Å; T33-K36 WeakPolarHBondContact OG1-CG 3.41Å; T33-K36 PolarHBondContact OG1-N 2.78Å; T33-S37 PolarHBondContact O-N 3.24Å; T33-S37 PolarHBondContact O-OG 3.32Å
34	A	90	Very high	93.2	Very high	33 Å²	33	94 Å²	94	27%	0.273	48%	0.48	S	S	.	.	H	α-helix	trans	-49.7	-38.5	176.3	0	0	0	0	0	113.6	G38 F323 H327	A34-G38 PolarHBondContact O-N 3.35Å; A34-F323 HydrophobicContact CB-CD1 4.36Å; A34-H327 HydrophobicContact CB-CB 4.23Å
35	K	91.5	Very high	93.5	Very high	110 Å²	110	86.9 Å²	86.9	48%	0.478	45%	0.449	S	S	.	.	H	α-helix	trans	-60.5	-51.7	174.7	-175.8	179.9	177.6	178.8	0	112.4	T33 G38 I39	T33-K35 PolarHBondContact O-N 3.18Å; T33-K35 VanDerWaalsContact O-N 3.09Å; K35-G38 PolarHBondContact O-N 3.18Å; K35-I39 HydrophobicContact CG-CD1 4.02Å; K35-I39 VanDerWaalsContact O-CG1 3.3Å; K35-I39 WeakPolarHBondContact O-CG1 3.37Å; K35-I39 PolarHBondContact O-N 3.31Å
36	K	93	Very high	93.7	Very high	124 Å²	124	86.8 Å²	86.8	54%	0.539	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-43.8	-179.8	-70.3	179.3	-177.2	-179.4	0	111.2	T33 A40	T33-K36 PolarHBondContact O-N 3.14Å; T33-K36 WeakPolarHBondContact OG1-CG 3.41Å; T33-K36 PolarHBondContact OG1-N 2.78Å; K36-A40 WeakPolarHBondContact O-CB 3.32Å; K36-A40 PolarHBondContact O-N 3.2Å
37	S	93.8	Very high	93.9	Very high	23 Å²	23	84.3 Å²	84.3	16%	0.161	43%	0.43	C	S	.	.	H	α-helix	trans	-64.1	-45.3	176.4	-55	0	0	0	0	111.5	T33 I39 A40 F41	T33-S37 PolarHBondContact O-N 3.24Å; T33-S37 PolarHBondContact O-OG 3.32Å; S37-I39 PolarHBondContact O-N 2.85Å; S37-A40 PolarHBondContact O-N 3.39Å; S37-F41 WeakPolarHBondContact O-CB 3.16Å; S37-F41 WeakPolarHBondContact O-CD2 3.28Å; S37-F41 PolarHBondContact O-N 3.41Å
38	G	95	Very high	94.1	Very high	0 Å²	0	83 Å²	83	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-57.3	-48.5	177.1	0	0	0	0	0	112.4	A34 K35 A40 F41 T42	A34-G38 PolarHBondContact O-N 3.35Å; K35-G38 PolarHBondContact O-N 3.18Å; G38-A40 PolarHBondContact O-N 3.46Å; G38-F41 PolarHBondContact O-N 3.27Å; G38-T42 WeakPolarHBondContact O-CB 3Å; G38-T42 PolarHBondContact O-N 3.18Å; G38-T42 PolarHBondContact O-OG1 2.96Å
39	I	95.2	Very high	94.3	Very high	85 Å²	85	74.1 Å²	74.1	44%	0.436	38%	0.382	S	S	.	.	H	α-helix	trans	-59.8	-48	175.3	-66.2	166.7	0	0	0	110.8	K35 S37 F41 T42 V43 L324	K35-I39 HydrophobicContact CG-CD1 4.02Å; K35-I39 VanDerWaalsContact O-CG1 3.3Å; K35-I39 WeakPolarHBondContact O-CG1 3.37Å; K35-I39 PolarHBondContact O-N 3.31Å; S37-I39 PolarHBondContact O-N 2.85Å; I39-F41 PolarHBondContact O-N 3.29Å; I39-T42 PolarHBondContact O-N 3.01Å; I39-V43 HydrophobicContact CG2-CG2 4.31Å; I39-V43 VanDerWaalsContact O-CG2 3.29Å; I39-V43 WeakPolarHBondContact O-CG2 3.39Å; I39-V43 PolarHBondContact O-N 3.4Å; I39-L324 HydrophobicContact CG1-CD2 4.48Å
40	A	95.9	Very high	94.7	Very high	42 Å²	42	69.8 Å²	69.8	35%	0.347	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-48.1	-179.7	0	0	0	0	0	112.1	K36 S37 G38 T42 V43 F44	K36-A40 WeakPolarHBondContact O-CB 3.32Å; K36-A40 PolarHBondContact O-N 3.2Å; S37-A40 PolarHBondContact O-N 3.39Å; G38-A40 PolarHBondContact O-N 3.46Å; A40-T42 PolarHBondContact O-N 3.45Å; A40-V43 PolarHBondContact O-N 3.39Å; A40-F44 HydrophobicContact CB-CE2 4.46Å; A40-F44 WeakPolarHBondContact O-CD2 3.29Å; A40-F44 PolarHBondContact O-N 3.21Å
41	F	97.3	Very high	95	Very high	62 Å²	62	70.9 Å²	70.9	27%	0.272	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-45	176.7	-79.6	-61.9	0	0	0	111.7	S37 G38 I39 V43 F44 G45 H316 L319 F323	S37-F41 WeakPolarHBondContact O-CB 3.16Å; S37-F41 WeakPolarHBondContact O-CD2 3.28Å; S37-F41 PolarHBondContact O-N 3.41Å; G38-F41 PolarHBondContact O-N 3.27Å; I39-F41 PolarHBondContact O-N 3.29Å; F41-V43 PolarHBondContact O-N 2.88Å; F41-F44 PolarHBondContact O-N 2.88Å; F41-G45 PolarHBondContact O-N 3.4Å; F41-H316 CarbonylContact C-O 3.52Å; F41-H316 WeakPolarHBondContact CB-O 3.32Å; F41-H316 AromaticContact CD1-CD2 3.52Å; F41-H316 WeakPolarHBondContact O-CB 3.3Å; F41-L319 HydrophobicContact CG-CB 4.44Å; F41-F323 AromaticContact CD2-CD2 3.63Å; F41-F323 HydrophobicContact CD2-CD2 3.63Å; F41-F323 AromaticContact CD2-CE2 3.61Å; F41-F323 HydrophobicContact CD2-CE2 3.61Å; F41-F323 AromaticContact CE2-CD2 3.94Å; F41-F323 HydrophobicContact CE2-CD2 3.94Å; F41-F323 AromaticContact CE2-CE2 3.41Å; F41-F323 HydrophobicContact CE2-CE2 3.41Å; F41-F323 VanDerWaalsContact CE2-CE2 3.41Å; F41-F323 HydrophobicContact CE2-CZ 4.24Å; F41-F323 HydrophobicContact CZ-CE2 4.4Å
42	T	96.6	Very high	95.5	Very high	33 Å²	33	64.3 Å²	64.3	20%	0.202	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-43.7	175.9	-61.1	0	0	0	0	111.9	G38 I39 A40 G45 I46	G38-T42 WeakPolarHBondContact O-CB 3Å; G38-T42 PolarHBondContact O-N 3.18Å; G38-T42 PolarHBondContact O-OG1 2.96Å; I39-T42 PolarHBondContact O-N 3.01Å; A40-T42 PolarHBondContact O-N 3.45Å; T42-G45 PolarHBondContact O-N 2.98Å; T42-I46 HydrophobicContact CG2-CD1 3.75Å; T42-I46 HydrophobicContact CG2-CG1 4.39Å; T42-I46 VanDerWaalsContact O-CG1 3.3Å; T42-I46 WeakPolarHBondContact O-CG1 3.48Å; T42-I46 PolarHBondContact O-N 3.18Å
43	V	97.2	Very high	96	Very high	79 Å²	79	60.4 Å²	60.4	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-47.7	177.3	170.4	0	0	0	0	111.2	I39 A40 F41 G45 I46 V47	I39-V43 HydrophobicContact CG2-CG2 4.31Å; I39-V43 VanDerWaalsContact O-CG2 3.29Å; I39-V43 WeakPolarHBondContact O-CG2 3.39Å; I39-V43 PolarHBondContact O-N 3.4Å; A40-V43 PolarHBondContact O-N 3.39Å; F41-V43 PolarHBondContact O-N 2.88Å; V43-G45 VanDerWaalsContact C-N 3.29Å; V43-G45 PolarHBondContact O-N 2.83Å; V43-I46 PolarHBondContact O-N 2.87Å; V43-V47 WeakPolarHBondContact O-CG2 3.46Å; V43-V47 PolarHBondContact O-N 3.48Å
44	F	97.3	Very high	96.3	Very high	121 Å²	121	61.4 Å²	61.4	53%	0.531	33%	0.33	S	S	.	.	H	α-helix	trans	-59.1	-41.8	176	-76.7	-58	0	0	0	112	A40 F41 V47 L48	A40-F44 HydrophobicContact CB-CE2 4.46Å; A40-F44 WeakPolarHBondContact O-CD2 3.29Å; A40-F44 PolarHBondContact O-N 3.21Å; F41-F44 PolarHBondContact O-N 2.88Å; F44-V47 PolarHBondContact O-N 3.36Å; F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.32Å; F44-L48 VanDerWaalsContact O-CG 3.25Å; F44-L48 WeakPolarHBondContact O-CG 3.45Å; F44-L48 PolarHBondContact O-N 3.12Å
45	G	97.8	Very high	96.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-48.1	175.8	0	0	0	0	0	113.1	F41 T42 V43 V47 L48 I49 G313	F41-G45 PolarHBondContact O-N 3.4Å; T42-G45 PolarHBondContact O-N 2.98Å; V43-G45 VanDerWaalsContact C-N 3.29Å; V43-G45 PolarHBondContact O-N 2.83Å; G45-V47 VanDerWaalsContact C-N 3.25Å; G45-V47 PolarHBondContact O-N 2.96Å; G45-L48 PolarHBondContact O-N 2.94Å; G45-I49 WeakPolarHBondContact O-CG1 3.34Å; G45-I49 PolarHBondContact O-N 3.41Å; G45-I49 VanDerWaalsContact O-N 3.11Å; G45-G313 WeakPolarHBondContact CA-O 3.44Å
46	I	97.6	Very high	97	Very high	102 Å²	102	57.3 Å²	57.3	52%	0.523	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-31.4	177.8	-70	169.3	0	0	0	111.9	T42 V43 P50	T42-I46 HydrophobicContact CG2-CD1 3.75Å; T42-I46 HydrophobicContact CG2-CG1 4.39Å; T42-I46 VanDerWaalsContact O-CG1 3.3Å; T42-I46 WeakPolarHBondContact O-CG1 3.48Å; T42-I46 PolarHBondContact O-N 3.18Å; V43-I46 PolarHBondContact O-N 2.87Å; I46-P50 WeakPolarHBondContact O-CD 3.09Å; I46-P50 VanDerWaalsContact O-CG 3.22Å; I46-P50 WeakPolarHBondContact O-CG 3.09Å
47	V	98.1	Very high	97.2	Very high	77 Å²	77	55.1 Å²	55.1	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-80.6	-43	177.5	172.4	0	0	0	0	111.7	V43 F44 G45 I49 P50 I51	V43-V47 WeakPolarHBondContact O-CG2 3.46Å; V43-V47 PolarHBondContact O-N 3.48Å; F44-V47 PolarHBondContact O-N 3.36Å; G45-V47 VanDerWaalsContact C-N 3.25Å; G45-V47 PolarHBondContact O-N 2.96Å; V47-I49 PolarHBondContact O-N 3.33Å; V47-P50 WeakPolarHBondContact O-CD 3.35Å; V47-I51 HydrophobicContact CG1-CD1 3.74Å; V47-I51 WeakPolarHBondContact O-CD1 3.29Å; V47-I51 VanDerWaalsContact O-CG1 3.32Å; V47-I51 WeakPolarHBondContact O-CG1 3.3Å; V47-I51 PolarHBondContact O-N 3.09Å
48	L	98.4	Very high	97.3	Very high	43 Å²	43	55 Å²	55	23%	0.225	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-33.7	-176.3	-75.4	172.7	0	0	0	113.2	F44 G45 G52 T312	F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.32Å; F44-L48 VanDerWaalsContact O-CG 3.25Å; F44-L48 WeakPolarHBondContact O-CG 3.45Å; F44-L48 PolarHBondContact O-N 3.12Å; G45-L48 PolarHBondContact O-N 2.94Å; L48-G52 PolarHBondContact O-N 2.91Å; L48-T312 HydrophobicContact CD1-CG2 3.83Å
49	I	98.1	Very high	97.4	Very high	42 Å²	42	55 Å²	55	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-54.8	-178.6	-70.1	175	0	0	0	111.8	G45 V47 I51 G52 I53 L310 I317	G45-I49 WeakPolarHBondContact O-CG1 3.34Å; G45-I49 PolarHBondContact O-N 3.41Å; G45-I49 VanDerWaalsContact O-N 3.11Å; V47-I49 PolarHBondContact O-N 3.33Å; I49-I51 VanDerWaalsContact C-N 3.3Å; I49-I51 PolarHBondContact O-N 3.45Å; I49-G52 WeakPolarHBondContact O-CA 3.3Å; I49-G52 PolarHBondContact O-N 3.03Å; I49-G52 VanDerWaalsContact O-N 3.07Å; I49-I53 HydrophobicContact CG2-CD1 3.95Å; I49-I53 HydrophobicContact CG2-CG1 4.42Å; I49-I53 WeakPolarHBondContact O-CG1 3.47Å; I49-I53 PolarHBondContact O-N 2.92Å; I49-L310 HydrophobicContact CG2-CD2 4.23Å; I49-I317 HydrophobicContact CD1-CD1 3.43Å; I49-I317 VanDerWaalsContact CD1-CD1 3.43Å; I49-I317 HydrophobicContact CD1-CG1 4.35Å
50	P	98.2	Very high	97.4	Very high	70 Å²	70	55.6 Å²	55.6	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-56.8	-41.5	175.8	-25.5	34.4	0	0	0	112.8	I46 V47 G52 I53 V54	I46-P50 WeakPolarHBondContact O-CD 3.09Å; I46-P50 VanDerWaalsContact O-CG 3.22Å; I46-P50 WeakPolarHBondContact O-CG 3.09Å; V47-P50 WeakPolarHBondContact O-CD 3.35Å; P50-G52 VanDerWaalsContact C-N 3.34Å; P50-G52 PolarHBondContact O-N 3.37Å; P50-I53 PolarHBondContact O-N 3.38Å; P50-V54 WeakPolarHBondContact O-CG2 3.32Å; P50-V54 PolarHBondContact O-N 3.26Å
51	I	98	Very high	97.3	Very high	78 Å²	78	57 Å²	57	40%	0.4	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-46.7	174.9	-67.6	172.5	0	0	0	110.3	V47 I49 I53 V54 L55	V47-I51 HydrophobicContact CG1-CD1 3.74Å; V47-I51 WeakPolarHBondContact O-CD1 3.29Å; V47-I51 VanDerWaalsContact O-CG1 3.32Å; V47-I51 WeakPolarHBondContact O-CG1 3.3Å; V47-I51 PolarHBondContact O-N 3.09Å; I49-I51 VanDerWaalsContact C-N 3.3Å; I49-I51 PolarHBondContact O-N 3.45Å; I51-I53 VanDerWaalsContact C-N 3.35Å; I51-I53 PolarHBondContact O-N 3.29Å; I51-V54 PolarHBondContact O-N 2.95Å; I51-L55 HydrophobicContact CG2-CD1 3.7Å; I51-L55 HydrophobicContact CG2-CG 4.23Å; I51-L55 WeakPolarHBondContact O-CB 3.22Å; I51-L55 VanDerWaalsContact O-CG 3.23Å; I51-L55 WeakPolarHBondContact O-CG 3.32Å; I51-L55 PolarHBondContact O-N 2.89Å
52	G	98.3	Very high	97.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-41.9	176.8	0	0	0	0	0	113.1	L48 I49 P50 L55 L56 C309	L48-G52 PolarHBondContact O-N 2.91Å; I49-G52 WeakPolarHBondContact O-CA 3.3Å; I49-G52 PolarHBondContact O-N 3.03Å; I49-G52 VanDerWaalsContact O-N 3.07Å; P50-G52 VanDerWaalsContact C-N 3.34Å; P50-G52 PolarHBondContact O-N 3.37Å; G52-L55 PolarHBondContact O-N 3.49Å; G52-L56 VanDerWaalsContact O-CB 3.24Å; G52-L56 WeakPolarHBondContact O-CB 3.47Å; G52-L56 PolarHBondContact O-N 3.45Å; G52-C309 VanDerWaalsContact CA-CB 3.48Å
53	I	98.1	Very high	97.2	Very high	88 Å²	88	53.9 Å²	53.9	45%	0.451	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-49	175	-64.5	171.1	0	0	0	110.3	I49 P50 I51 L55 L56 T57 L310	I49-I53 HydrophobicContact CG2-CD1 3.95Å; I49-I53 HydrophobicContact CG2-CG1 4.42Å; I49-I53 WeakPolarHBondContact O-CG1 3.47Å; I49-I53 PolarHBondContact O-N 2.92Å; P50-I53 PolarHBondContact O-N 3.38Å; I51-I53 VanDerWaalsContact C-N 3.35Å; I51-I53 PolarHBondContact O-N 3.29Å; I53-L55 PolarHBondContact O-N 3.47Å; I53-L56 PolarHBondContact O-N 2.86Å; I53-T57 HydrophobicContact CG2-CG2 4.25Å; I53-T57 WeakPolarHBondContact O-CB 3.38Å; I53-T57 VanDerWaalsContact O-CG2 3.3Å; I53-T57 WeakPolarHBondContact O-CG2 3.4Å; I53-T57 PolarHBondContact O-N 3.33Å; I53-T57 PolarHBondContact O-OG1 3.49Å; I53-L310 HydrophobicContact CG1-CD2 3.82Å
54	V	97.8	Very high	97.2	Very high	78 Å²	78	52.7 Å²	52.7	47%	0.473	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-44.2	179.7	171	0	0	0	0	111.2	P50 I51 T57 T58 W297	P50-V54 WeakPolarHBondContact O-CG2 3.32Å; P50-V54 PolarHBondContact O-N 3.26Å; I51-V54 PolarHBondContact O-N 2.95Å; V54-T57 WeakPolarHBondContact CA-OG1 3.25Å; V54-T57 PolarHBondContact O-OG1 3.48Å; V54-T58 WeakPolarHBondContact O-CB 3.32Å; V54-T58 PolarHBondContact O-N 3.5Å; V54-T58 PolarHBondContact O-OG1 3.03Å; V54-W297 HydrophobicContact CG1-CZ2 4.5Å
55	L	98	Very high	97.1	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-43.5	178.3	-69.3	172.1	0	0	0	112	I51 G52 I53 S59 W297 L298 L305	I51-L55 HydrophobicContact CG2-CD1 3.7Å; I51-L55 HydrophobicContact CG2-CG 4.23Å; I51-L55 WeakPolarHBondContact O-CB 3.22Å; I51-L55 VanDerWaalsContact O-CG 3.23Å; I51-L55 WeakPolarHBondContact O-CG 3.32Å; I51-L55 PolarHBondContact O-N 2.89Å; G52-L55 PolarHBondContact O-N 3.49Å; I53-L55 PolarHBondContact O-N 3.47Å; L55-S59 WeakPolarHBondContact O-CB 3.47Å; L55-S59 PolarHBondContact O-N 3.46Å; L55-W297 HydrophobicContact CD2-CH2 3.84Å; L55-W297 HydrophobicContact CD2-CZ2 4.15Å; L55-L298 HydrophobicContact CD2-CD1 3.66Å; L55-L298 HydrophobicContact CD2-CD2 3.8Å; L55-L298 HydrophobicContact CD2-CG 4.37Å; L55-L305 HydrophobicContact CD1-CD2 3.9Å; L55-L305 HydrophobicContact CD1-CG 3.93Å; L55-L305 HydrophobicContact CD2-CD2 4.4Å
56	L	97.5	Very high	97	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.209	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-44.8	-179.7	-177.1	59.9	0	0	0	111.8	G52 I53 S59 N60 P303 I307 L310	G52-L56 VanDerWaalsContact O-CB 3.24Å; G52-L56 WeakPolarHBondContact O-CB 3.47Å; G52-L56 PolarHBondContact O-N 3.45Å; I53-L56 PolarHBondContact O-N 2.86Å; L56-S59 PolarHBondContact O-N 3.2Å; L56-N60 WeakPolarHBondContact O-CB 2.84Å; L56-N60 VanDerWaalsContact O-CG 3.28Å; L56-N60 PolarHBondContact O-N 2.89Å; L56-P303 HydrophobicContact CD1-CB 3.69Å; L56-I307 HydrophobicContact CD1-CG1 4.31Å; L56-L310 HydrophobicContact CD2-CD1 3.81Å
57	T	97.2	Very high	97	Very high	79 Å²	79	48.6 Å²	48.6	49%	0.485	27%	0.272	S	S	.	.	H	α-helix	trans	-64	-43.4	176.3	50.7	0	0	0	0	111.6	I53 V54 S59 N60 S61	I53-T57 HydrophobicContact CG2-CG2 4.25Å; I53-T57 WeakPolarHBondContact O-CB 3.38Å; I53-T57 VanDerWaalsContact O-CG2 3.3Å; I53-T57 WeakPolarHBondContact O-CG2 3.4Å; I53-T57 PolarHBondContact O-N 3.33Å; I53-T57 PolarHBondContact O-OG1 3.49Å; V54-T57 WeakPolarHBondContact CA-OG1 3.25Å; V54-T57 PolarHBondContact O-OG1 3.48Å; T57-S59 PolarHBondContact O-N 3.42Å; T57-N60 PolarHBondContact O-N 3.43Å; T57-S61 PolarHBondContact O-N 2.96Å
58	T	96.9	Very high	97	Very high	20 Å²	20	47.2 Å²	47.2	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-48.5	173.3	-60.5	0	0	0	0	110.9	V54 N60 S61 S296 W297 L298	V54-T58 WeakPolarHBondContact O-CB 3.32Å; V54-T58 PolarHBondContact O-N 3.5Å; V54-T58 PolarHBondContact O-OG1 3.03Å; T58-N60 VanDerWaalsContact C-N 3.3Å; T58-N60 PolarHBondContact O-N 3.22Å; T58-S61 PolarHBondContact O-N 2.92Å; T58-S61 PolarHBondContact O-OG 3.34Å; T58-S296 WeakPolarHBondContact CG2-OG 3.11Å; T58-W297 VanDerWaalsContact CG2-NE1 3.35Å; T58-W297 PolarHBondContact OG1-NE1 3.42Å; T58-L298 HydrophobicContact CG2-CB 4.2Å
59	S	96.5	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-36.4	177.5	176.9	0	0	0	0	112.8	L55 L56 T57 S61 V62 N302	L55-S59 WeakPolarHBondContact O-CB 3.47Å; L55-S59 PolarHBondContact O-N 3.46Å; L56-S59 PolarHBondContact O-N 3.2Å; T57-S59 PolarHBondContact O-N 3.42Å; S59-S61 VanDerWaalsContact C-N 3.32Å; S59-V62 PolarHBondContact O-N 2.84Å; S59-N302 PolarHBondContact OG-N 2.84Å; S59-N302 PolarHBondContact OG-O 2.77Å
60	N	95.1	Very high	97	Very high	97 Å²	97	43.3 Å²	43.3	52%	0.519	24%	0.242	S	C	.	.	H	α-helix	trans	-75.2	-21.7	-179.7	-74.8	-13.9	0	0	0	112.9	L56 T57 T58 V62	L56-N60 WeakPolarHBondContact O-CB 2.84Å; L56-N60 VanDerWaalsContact O-CG 3.28Å; L56-N60 PolarHBondContact O-N 2.89Å; T57-N60 PolarHBondContact O-N 3.43Å; T58-N60 VanDerWaalsContact C-N 3.3Å; T58-N60 PolarHBondContact O-N 3.22Å; N60-V62 PolarHBondContact O-N 3.24Å
61	S	93.9	Very high	96.9	Very high	72 Å²	72	44 Å²	44	50%	0.503	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.6	172.2	76.2	0	0	0	0	113.6	T57 T58 S59 V63	T57-S61 PolarHBondContact O-N 2.96Å; T58-S61 PolarHBondContact O-N 2.92Å; T58-S61 PolarHBondContact O-OG 3.34Å; S59-S61 VanDerWaalsContact C-N 3.32Å; S61-V63 PolarHBondContact O-N 3.45Å
62	V	96	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.224	C	C	.	.			trans	-80	119.8	175.9	-179.5	0	0	0	0	109.6	S59 N60 N294 K301	S59-V62 PolarHBondContact O-N 2.84Å; N60-V62 PolarHBondContact O-N 3.24Å; V62-N294 WeakPolarHBondContact CA-OD1 3.44Å; V62-N294 VanDerWaalsContact CG1-O 3.32Å; V62-N294 WeakPolarHBondContact CG1-O 3.29Å; V62-N294 WeakPolarHBondContact CG1-OD1 3.32Å; V62-K301 HydrophobicContact CB-CB 4.05Å; V62-K301 HydrophobicContact CG1-CB 3.91Å
63	V	96.1	Very high	96.7	Very high	29 Å²	29	43.2 Å²	43.2	18%	0.176	24%	0.241	C	C	.	.			trans	-92.5	123.8	175.5	-174	0	0	0	0	108.3	S61 Y65 I103 A293 N294	S61-V63 PolarHBondContact O-N 3.45Å; V63-Y65 HydrophobicContact CG1-CD2 3.96Å; V63-Y65 HydrophobicContact CG1-CE2 3.48Å; V63-Y65 VanDerWaalsContact CG1-CE2 3.48Å; V63-I103 HydrophobicContact CB-CG1 4.38Å; V63-I103 HydrophobicContact CB-CG2 4.35Å; V63-I103 HydrophobicContact CG1-CG1 3.87Å; V63-A293 WeakPolarHBondContact O-CA 3.32Å; V63-N294 PolarHBondContact N-OD1 2.92Å; V63-N294 PolarHBondContact O-N 2.61Å; V63-N294 PolarHBondContact O-OD1 3.34Å; V63-N294 VanDerWaalsContact O-OD1 3.1Å
64	E	95.9	Very high	96.6	Very high	53 Å²	53	42.5 Å²	42.5	25%	0.248	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.7	-179.3	177.7	176.3	123.3	0	0	109.4	R250 I291 L292 A293 K301	E64-R250 IonicContact OE1-NH1 3.14Å; E64-R250 IonicContact OE2-CZ 3.32Å; E64-R250 IonicContact OE2-NH1 2.7Å; E64-R250 PolarHBondContact OE2-NH1 2.9Å; E64-R250 IonicContact OE2-NH2 3.13Å; E64-I291 HydrophobicContact CG-CG2 3.8Å; E64-L292 WeakPolarHBondContact CA-O 3.48Å; E64-A293 HydrophobicContact CB-CB 4.09Å; E64-A293 HydrophobicContact CG-CB 4.07Å; E64-K301 HydrophobicContact CB-CD 4.47Å
65	Y	96.4	Very high	96.4	Very high	40 Å²	40	44 Å²	44	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.4	175.6	-79.5	-85.6	0	0	0	109.7	V63 I97 V99 E100 S101 I103 I291 L292	V63-Y65 HydrophobicContact CG1-CD2 3.96Å; V63-Y65 HydrophobicContact CG1-CE2 3.48Å; V63-Y65 VanDerWaalsContact CG1-CE2 3.48Å; Y65-I97 HydrophobicContact CD1-CD1 3.76Å; Y65-I97 HydrophobicContact CD1-CG1 4.35Å; Y65-I97 HydrophobicContact CG-CD1 3.97Å; Y65-V99 HydrophobicContact CD2-CG1 4.39Å; Y65-V99 HydrophobicContact CD2-CG2 4.29Å; Y65-V99 HydrophobicContact CE2-CB 4.32Å; Y65-V99 HydrophobicContact CE2-CG1 3.69Å; Y65-V99 HydrophobicContact CE2-CG2 4.26Å; Y65-V99 HydrophobicContact CG-CG2 4.42Å; Y65-E100 PolarHBondContact OH-N 2.71Å; Y65-E100 VanDerWaalsContact OH-N 3.08Å; Y65-S101 PolarHBondContact OH-N 3.01Å; Y65-I103 HydrophobicContact CD2-CD1 3.65Å; Y65-I103 HydrophobicContact CD2-CG1 3.96Å; Y65-I103 HydrophobicContact CE2-CD1 4.19Å; Y65-I103 HydrophobicContact CE2-CG1 4.02Å; Y65-I291 VanDerWaalsContact O-CA 3.31Å; Y65-I291 WeakPolarHBondContact O-CA 3.5Å; Y65-L292 PolarHBondContact N-O 2.92Å; Y65-L292 PolarHBondContact O-N 2.79Å
66	L	96	Very high	96	Very high	79 Å²	79	46.9 Å²	46.9	41%	0.414	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.8	-173.9	-173.1	155.6	0	0	0	110.3	K289 F290 I291	L66-K289 HydrophobicContact CD1-CD 3.96Å; L66-K289 HydrophobicContact CD2-CB 4.29Å; L66-K289 HydrophobicContact CD2-CD 3.96Å; L66-K289 HydrophobicContact CD2-CG 4.13Å; L66-K289 HydrophobicContact CG-CB 4.31Å; L66-K289 HydrophobicContact CG-CD 4.28Å; L66-F290 WeakPolarHBondContact CA-O 3.5Å; L66-I291 HydrophobicContact CD1-CD1 4.45Å; L66-I291 HydrophobicContact CD1-CG1 4.2Å; L66-I291 HydrophobicContact CG-CG1 4.08Å
67	V	97.3	Very high	95.9	Very high	18 Å²	18	47.4 Å²	47.4	11%	0.109	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114	175.9	-178.9	0	0	0	0	108.7	Y69 K95 I97 I273 K289 F290	V67-Y69 PolarHBondContact O-N 3.37Å; V67-K95 HydrophobicContact CG1-CB 4.03Å; V67-K95 HydrophobicContact CG1-CG 4.07Å; V67-I97 HydrophobicContact CG2-CB 4.12Å; V67-I97 HydrophobicContact CG2-CD1 3.62Å; V67-I97 HydrophobicContact CG2-CG1 4.15Å; V67-I273 HydrophobicContact CB-CD1 4.45Å; V67-I273 HydrophobicContact CG2-CD1 3.98Å; V67-K289 CarbonylContact O-C 3.51Å; V67-K289 WeakPolarHBondContact O-CA 3.27Å; V67-F290 HydrophobicContact CB-CB 4.38Å; V67-F290 PolarHBondContact N-O 3.49Å; V67-F290 PolarHBondContact O-N 3.05Å
68	D	97.8	Very high	95.6	Very high	48 Å²	48	52.6 Å²	52.6	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	120.5	168.1	-165	-56	0	0	0	108.9	T70 R287	D68-T70 VanDerWaalsContact OD1-CB 3.27Å; D68-T70 WeakPolarHBondContact OD1-CB 3.13Å; D68-T70 PolarHBondContact OD1-N 3.01Å; D68-T70 PolarHBondContact OD1-OG1 3.28Å; D68-R287 VanDerWaalsContact CG-NH2 3.32Å; D68-R287 IonicContact OD1-CZ 3.92Å; D68-R287 IonicContact OD1-NE 2.87Å; D68-R287 IonicContact OD1-NH2 3.19Å; D68-R287 PolarHBondContact OD1-NH2 3.3Å; D68-R287 IonicContact OD2-CZ 2.69Å; D68-R287 IonicContact OD2-NE 2.68Å; D68-R287 PolarHBondContact OD2-NE 3.13Å; D68-R287 IonicContact OD2-NH2 3.74Å; D68-R287 PolarHBondContact OD2-NH2 2.81Å
69	Y	97.9	Very high	95.6	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.31	C	S	.	.			trans	-119	20.9	-179.4	69	-90.6	0	0	0	111.9	V67 D71 C72 F167 D169 F171 I275 Y277 K288 F290	V67-Y69 PolarHBondContact O-N 3.37Å; Y69-D71 PolarHBondContact O-N 3.33Å; Y69-C72 WeakPolarHBondContact O-CB 3.42Å; Y69-C72 PolarHBondContact O-N 2.92Å; Y69-F167 WeakPolarHBondContact OH-CZ 3.33Å; Y69-D169 WeakPolarHBondContact CE2-OD2 3.33Å; Y69-D169 PolarHBondContact OH-OD2 3.33Å; Y69-F171 AromaticContact CE1-CE1 3.8Å; Y69-F171 HydrophobicContact CE1-CE1 3.8Å; Y69-F171 HydrophobicContact CE1-CZ 4.04Å; Y69-F171 HydrophobicContact CE2-CE1 4.26Å; Y69-F171 AromaticContact CZ-CE1 3.68Å; Y69-F171 AromaticContact CZ-CZ 3.78Å; Y69-F171 WeakPolarHBondContact OH-CZ 3.37Å; Y69-I275 HydrophobicContact CD1-CD1 4.29Å; Y69-I275 HydrophobicContact CD2-CD1 4.01Å; Y69-I275 HydrophobicContact CD2-CG2 3.9Å; Y69-I275 HydrophobicContact CE2-CG2 3.95Å; Y69-I275 HydrophobicContact CG-CD1 3.72Å; Y69-Y277 HydrophobicContact CD2-CD2 4.08Å; Y69-Y277 HydrophobicContact CD2-CE2 4.13Å; Y69-Y277 HydrophobicContact CE2-CD2 4.37Å; Y69-Y277 HydrophobicContact CE2-CE2 4.45Å; Y69-Y277 WeakPolarHBondContact O-CE2 3.45Å; Y69-K288 HydrophobicContact CD1-CB 4.38Å; Y69-K288 HydrophobicContact CD2-CB 4.19Å; Y69-K288 HydrophobicContact CE1-CB 3.88Å; Y69-K288 HydrophobicContact CE2-CB 3.65Å; Y69-K288 HydrophobicContact CE2-CD 3.91Å; Y69-K288 VanDerWaalsContact CE2-CE 3.47Å; Y69-K288 HydrophobicContact CE2-CG 4.4Å; Y69-K288 VanDerWaalsContact CZ-CB 3.45Å; Y69-K288 PolarHBondContact N-O 2.89Å; Y69-F290 HydrophobicContact CD1-CB 3.85Å; Y69-F290 HydrophobicContact CE1-CB 3.92Å
70	T	97.7	Very high	95.6	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.025	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-47.8	179	-45	0	0	0	0	111.3	D68 C72 Y277 V281 R287 K288	D68-T70 VanDerWaalsContact OD1-CB 3.27Å; D68-T70 WeakPolarHBondContact OD1-CB 3.13Å; D68-T70 PolarHBondContact OD1-N 3.01Å; D68-T70 PolarHBondContact OD1-OG1 3.28Å; T70-C72 VanDerWaalsContact C-N 3.27Å; T70-C72 PolarHBondContact O-N 3.11Å; T70-Y277 PolarHBondContact O-OH 3.4Å; T70-Y277 VanDerWaalsContact O-OH 3.09Å; T70-V281 HydrophobicContact CG2-CG2 3.93Å; T70-R287 HydrophobicContact CG2-CB 4.43Å; T70-R287 VanDerWaalsContact OG1-CA 3.28Å; T70-R287 WeakPolarHBondContact OG1-CA 3.45Å; T70-R287 VanDerWaalsContact OG1-CB 3.31Å; T70-R287 WeakPolarHBondContact OG1-CB 3.41Å; T70-K288 PolarHBondContact OG1-N 3.15Å; T70-K288 PolarHBondContact OG1-O 3.49Å
71	D	96.3	Very high	95.7	Very high	84 Å²	84	53.9 Å²	53.9	45%	0.449	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	42.7	-175.4	-50.5	-55.4	0	0	0	110.3	Y69 L80 R287	Y69-D71 PolarHBondContact O-N 3.33Å; D71-L80 HydrophobicContact CB-CD2 4.29Å; D71-R287 IonicContact OD2-CZ 3.3Å; D71-R287 IonicContact OD2-NH1 3.35Å; D71-R287 IonicContact OD2-NH2 3.18Å; D71-R287 PolarHBondContact OD2-NH2 3.17Å
72	C	95.2	Very high	95.8	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.014	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-77.5	134.9	179.8	-147.3	0	0	0	0	110.5	Y69 T70 C81 C93 K95 Y277	Y69-C72 WeakPolarHBondContact O-CB 3.42Å; Y69-C72 PolarHBondContact O-N 2.92Å; T70-C72 VanDerWaalsContact C-N 3.27Å; T70-C72 PolarHBondContact O-N 3.11Å; C72-C81 WeakPolarHBondContact O-CB 3.35Å; C72-C81 PolarHBondContact O-N 2.92Å; C72-C93 HydrophobicContact CB-CB 3.72Å; C72-C93 WeakPolarHBondContact CB-SG 3.36Å; C72-C93 WeakPolarHBondContact SG-CB 3.28Å; C72-C93 CovalentContact SG-SG 2.02Å; C72-C93 PolarHBondContact SG-SG 3.44Å; C72-K95 VanDerWaalsContact SG-CE 3.54Å; C72-Y277 HydrophobicContact CB-CD2 4.44Å
73	T	97	Very high	95.8	Very high	60 Å²	60	57.1 Å²	57.1	37%	0.368	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-91.1	147.4	175.6	54.8	0	0	0	0	111.1	N75 E79 L80 C93	T73-N75 PolarHBondContact O-N 3.31Å; T73-E79 CarbonylContact C-O 3.41Å; T73-E79 WeakPolarHBondContact CA-O 3.49Å; T73-L80 HydrophobicContact CG2-CD2 4.19Å; T73-C93 WeakPolarHBondContact O-CB 3.5Å
74	R	96.6	Very high	95.8	Very high	73 Å²	73	56 Å²	56	28%	0.275	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-59.3	131.7	175.3	175.3	-178.2	67.7	-175.4	-8.9	109.4	G76 T77 E79 V84 C91	R74-G76 PolarHBondContact O-N 3.24Å; R74-T77 VanDerWaalsContact CB-OG1 3.3Å; R74-T77 WeakPolarHBondContact CB-OG1 3.33Å; R74-T77 PolarHBondContact NE-OG1 3.45Å; R74-T77 CarbonylContact O-C 3.57Å; R74-T77 PolarHBondContact O-N 2.98Å; R74-T77 PolarHBondContact O-OG1 3.5Å; R74-E79 IonicContact CZ-OE2 2.76Å; R74-E79 PolarHBondContact N-O 2.9Å; R74-E79 IonicContact NE-OE2 3.41Å; R74-E79 IonicContact NH1-OE2 3.47Å; R74-E79 IonicContact NH2-OE1 3.06Å; R74-E79 PolarHBondContact NH2-OE1 2.85Å; R74-E79 IonicContact NH2-OE2 2.71Å; R74-E79 PolarHBondContact NH2-OE2 2.98Å; R74-V84 HydrophobicContact CB-CG2 4.44Å; R74-C91 VanDerWaalsContact CB-SG 3.55Å
75	N	92.4	Very high	95.8	Very high	108 Å²	108	54.9 Å²	54.9	58%	0.578	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	129.2	-176.3	-169	23.9	0	0	0	111.8	T73 T77 V92 V94	T73-N75 PolarHBondContact O-N 3.31Å; N75-T77 VanDerWaalsContact C-N 3.31Å; N75-T77 PolarHBondContact O-N 3.2Å; N75-V92 PolarHBondContact N-O 2.93Å; N75-V94 HydrophobicContact CB-CG2 4.19Å
76	G	91.3	Very high	95.8	Very high	77 Å²	77	57.2 Å²	57.2	79%	0.794	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	4.1	-177.1	0	0	0	0	0	115.8	R74	R74-G76 PolarHBondContact O-N 3.24Å
77	T	93.4	Very high	95.7	Very high	51 Å²	51	57 Å²	57	31%	0.313	33%	0.328	S	S	.	.	S	Bend	trans	-140.5	164.3	179.9	65.7	0	0	0	0	111.9	R74 N75	R74-T77 VanDerWaalsContact CB-OG1 3.3Å; R74-T77 WeakPolarHBondContact CB-OG1 3.33Å; R74-T77 PolarHBondContact NE-OG1 3.45Å; R74-T77 CarbonylContact O-C 3.57Å; R74-T77 PolarHBondContact O-N 2.98Å; R74-T77 PolarHBondContact O-OG1 3.5Å; N75-T77 VanDerWaalsContact C-N 3.31Å; N75-T77 PolarHBondContact O-N 3.2Å
78	E	92.3	Very high	95.4	Very high	189 Å²	189	59.4 Å²	59.4	88%	0.883	36%	0.357	S	S	*	.	S	Bend	trans	-91.4	1.3	177.1	-62.2	-173.4	170.3	0	0	113.4
79	E	95.4	Very high	95.2	Very high	92 Å²	92	63.4 Å²	63.4	43%	0.43	37%	0.372	S	S	.	.			trans	-71.7	131.4	179.6	-69.5	175.1	-159.3	0	0	111.5	T73 R74 V84	T73-E79 CarbonylContact C-O 3.41Å; T73-E79 WeakPolarHBondContact CA-O 3.49Å; R74-E79 IonicContact CZ-OE2 2.76Å; R74-E79 PolarHBondContact N-O 2.9Å; R74-E79 IonicContact NE-OE2 3.41Å; R74-E79 IonicContact NH1-OE2 3.47Å; R74-E79 IonicContact NH2-OE1 3.06Å; R74-E79 PolarHBondContact NH2-OE1 2.85Å; R74-E79 IonicContact NH2-OE2 2.71Å; R74-E79 PolarHBondContact NH2-OE2 2.98Å; E79-V84 HydrophobicContact CB-CG2 4.05Å
80	L	97.2	Very high	95.1	Very high	52 Å²	52	68.1 Å²	68.1	27%	0.272	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-69.1	131.8	175.2	-71.7	170.1	0	0	0	110.9	D71 T73 S82 Q83 V84	D71-L80 HydrophobicContact CB-CD2 4.29Å; T73-L80 HydrophobicContact CG2-CD2 4.19Å; L80-S82 PolarHBondContact O-N 3.07Å; L80-S82 VanDerWaalsContact O-N 3.11Å; L80-Q83 HydrophobicContact CB-CG 4.26Å; L80-Q83 WeakPolarHBondContact O-CB 3.48Å; L80-Q83 PolarHBondContact O-N 2.83Å; L80-V84 PolarHBondContact O-N 2.93Å; L80-V84 VanDerWaalsContact O-N 3.12Å
81	C	97.5	Very high	95.1	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-58.1	-30.8	177.9	-85.3	0	0	0	0	113	C72 Q83 V84 I85 C91 Y277	C72-C81 WeakPolarHBondContact O-CB 3.35Å; C72-C81 PolarHBondContact O-N 2.92Å; C81-Q83 VanDerWaalsContact C-N 3.27Å; C81-Q83 PolarHBondContact O-N 3.29Å; C81-V84 PolarHBondContact O-N 3.48Å; C81-I85 WeakPolarHBondContact O-CG1 3.48Å; C81-I85 WeakPolarHBondContact O-CG2 3.3Å; C81-I85 PolarHBondContact O-N 2.75Å; C81-C91 WeakPolarHBondContact CA-SG 3.23Å; C81-C91 HydrophobicContact CB-CB 3.7Å; C81-C91 WeakPolarHBondContact CB-SG 3.43Å; C81-C91 WeakPolarHBondContact SG-CB 3.36Å; C81-C91 CovalentContact SG-SG 2.04Å; C81-C91 PolarHBondContact SG-SG 3.24Å; C81-Y277 HydrophobicContact CB-CD1 3.71Å; C81-Y277 HydrophobicContact CB-CD2 3.92Å; C81-Y277 HydrophobicContact CB-CE1 4.14Å; C81-Y277 HydrophobicContact CB-CE2 4.32Å; C81-Y277 HydrophobicContact CB-CG 3.6Å
82	S	96.5	Very high	95.1	Very high	17 Å²	17	66.5 Å²	66.5	12%	0.119	40%	0.396	C	S	.	.	H	α-helix	trans	-59.3	-35.9	174.8	57.2	0	0	0	0	113	L80 I85 A86	L80-S82 PolarHBondContact O-N 3.07Å; L80-S82 VanDerWaalsContact O-N 3.11Å; S82-I85 WeakPolarHBondContact O-CG1 3.45Å; S82-A86 WeakPolarHBondContact O-CB 3.39Å; S82-A86 PolarHBondContact O-N 2.95Å
83	Q	96	Very high	95.2	Very high	124 Å²	124	66.4 Å²	66.4	58%	0.579	40%	0.396	S	S	*	.	H	α-helix	trans	-78.3	-40.2	176	-64	172.5	-20.9	0	0	111.1	L80 C81 I85 A86 S87	L80-Q83 HydrophobicContact CB-CG 4.26Å; L80-Q83 WeakPolarHBondContact O-CB 3.48Å; L80-Q83 PolarHBondContact O-N 2.83Å; C81-Q83 VanDerWaalsContact C-N 3.27Å; C81-Q83 PolarHBondContact O-N 3.29Å; Q83-I85 PolarHBondContact O-N 2.83Å; Q83-A86 WeakPolarHBondContact O-CB 3.22Å; Q83-A86 PolarHBondContact O-N 3.4Å; Q83-S87 PolarHBondContact O-N 3.35Å
84	V	96.5	Very high	95.2	Very high	5 Å²	5	65 Å²	65	3%	0.03	39%	0.387	C	S	.	.	H	α-helix	trans	-60.2	-48.6	178.2	179.1	0	0	0	0	111	R74 E79 L80 C81 A86 S87 K89 C91	R74-V84 HydrophobicContact CB-CG2 4.44Å; E79-V84 HydrophobicContact CB-CG2 4.05Å; L80-V84 PolarHBondContact O-N 2.93Å; L80-V84 VanDerWaalsContact O-N 3.12Å; C81-V84 PolarHBondContact O-N 3.48Å; V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 3.34Å; V84-S87 WeakPolarHBondContact O-CB 3.34Å; V84-S87 PolarHBondContact O-N 2.88Å; V84-S87 VanDerWaalsContact O-N 3.13Å; V84-S87 PolarHBondContact O-OG 3.44Å; V84-K89 HydrophobicContact CG1-CB 3.89Å; V84-K89 PolarHBondContact O-N 2.93Å; V84-C91 HydrophobicContact CB-CB 4.08Å; V84-C91 HydrophobicContact CG1-CB 3.91Å
85	I	95.8	Very high	95.3	Very high	30 Å²	30	64.6 Å²	64.6	15%	0.154	39%	0.387	C	S	.	.	H	α-helix	trans	-68.2	-30.3	178.8	67.6	169.8	0	0	0	112.8	C81 S82 Q83 S87 G88 K89 C91 Y277 P280	C81-I85 WeakPolarHBondContact O-CG1 3.48Å; C81-I85 WeakPolarHBondContact O-CG2 3.3Å; C81-I85 PolarHBondContact O-N 2.75Å; S82-I85 WeakPolarHBondContact O-CG1 3.45Å; Q83-I85 PolarHBondContact O-N 2.83Å; I85-S87 PolarHBondContact O-N 3.44Å; I85-G88 PolarHBondContact O-N 3.3Å; I85-K89 WeakPolarHBondContact CA-O 3.43Å; I85-C91 HydrophobicContact CG2-CB 3.97Å; I85-Y277 HydrophobicContact CD1-CD1 3.91Å; I85-Y277 HydrophobicContact CD1-CE1 3.7Å; I85-Y277 HydrophobicContact CG1-CE1 4.47Å; I85-Y277 HydrophobicContact CG2-CD1 4.14Å; I85-Y277 WeakPolarHBondContact CG2-O 3.44Å; I85-P280 HydrophobicContact CD1-CB 3.93Å
86	A	94.6	Very high	95.4	Very high	88 Å²	88	64.9 Å²	64.9	73%	0.727	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-26.4	175.1	0	0	0	0	0	111.8	S82 Q83 V84 G88	S82-A86 WeakPolarHBondContact O-CB 3.39Å; S82-A86 PolarHBondContact O-N 2.95Å; Q83-A86 WeakPolarHBondContact O-CB 3.22Å; Q83-A86 PolarHBondContact O-N 3.4Å; V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 3.34Å; A86-G88 VanDerWaalsContact C-N 3.25Å; A86-G88 PolarHBondContact O-N 3.26Å
87	S	94	Very high	95.5	Very high	74 Å²	74	62 Å²	62	52%	0.517	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.4	171.7	78.1	0	0	0	0	114.4	Q83 V84 I85 K89	Q83-S87 PolarHBondContact O-N 3.35Å; V84-S87 WeakPolarHBondContact O-CB 3.34Å; V84-S87 PolarHBondContact O-N 2.88Å; V84-S87 VanDerWaalsContact O-N 3.13Å; V84-S87 PolarHBondContact O-OG 3.44Å; I85-S87 PolarHBondContact O-N 3.44Å; S87-K89 VanDerWaalsContact C-N 3.34Å
88	G	92.4	Very high	95.6	Very high	70 Å²	70	63.8 Å²	63.8	72%	0.722	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	10.5	-178.7	0	0	0	0	0	114.7	I85 A86	I85-G88 PolarHBondContact O-N 3.3Å; A86-G88 VanDerWaalsContact C-N 3.25Å; A86-G88 PolarHBondContact O-N 3.26Å
89	K	94.1	Very high	95.7	Very high	131 Å²	131	54.9 Å²	54.9	57%	0.57	32%	0.32	S	S	*	.			trans	-96.7	144.5	179.7	-66.2	178.2	-177.1	175	0	111.2	V84 I85 S87	V84-K89 HydrophobicContact CG1-CB 3.89Å; V84-K89 PolarHBondContact O-N 2.93Å; I85-K89 WeakPolarHBondContact CA-O 3.43Å; S87-K89 VanDerWaalsContact C-N 3.34Å
90	P	94.5	Very high	95.6	Very high	99 Å²	99	58.7 Å²	58.7	64%	0.643	34%	0.338	S	S	*	.			trans	-65.9	142.2	173.2	28.9	-34.2	0	0	0	110.4	F278	P90-F278 HydrophobicContact CB-CE1 4.23Å
91	C	97.7	Very high	95.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.4	175.4	-161	0	0	0	0	111	R74 C81 V84 I85 Y277	R74-C91 VanDerWaalsContact CB-SG 3.55Å; C81-C91 WeakPolarHBondContact CA-SG 3.23Å; C81-C91 HydrophobicContact CB-CB 3.7Å; C81-C91 WeakPolarHBondContact CB-SG 3.43Å; C81-C91 WeakPolarHBondContact SG-CB 3.36Å; C81-C91 CovalentContact SG-SG 2.04Å; C81-C91 PolarHBondContact SG-SG 3.24Å; V84-C91 HydrophobicContact CB-CB 4.08Å; V84-C91 HydrophobicContact CG1-CB 3.91Å; I85-C91 HydrophobicContact CG2-CB 3.97Å; C91-Y277 PolarHBondContact O-N 2.73Å
92	V	97.7	Very high	95.2	Very high	55 Å²	55	62.3 Å²	62.3	33%	0.333	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.8	171	-174.2	0	0	0	0	107.6	N75 V274 I275 N276	N75-V92 PolarHBondContact N-O 2.93Å; V92-V274 HydrophobicContact CG1-CG1 3.57Å; V92-I275 WeakPolarHBondContact CA-O 3.34Å; V92-N276 VanDerWaalsContact CG2-OD1 3.3Å; V92-N276 WeakPolarHBondContact CG2-OD1 3.1Å
93	C	96.8	Very high	95.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157.3	174.2	81.4	0	0	0	0	111.4	C72 T73 I275	C72-C93 HydrophobicContact CB-CB 3.72Å; C72-C93 WeakPolarHBondContact CB-SG 3.36Å; C72-C93 WeakPolarHBondContact SG-CB 3.28Å; C72-C93 CovalentContact SG-SG 2.02Å; C72-C93 PolarHBondContact SG-SG 3.44Å; T73-C93 WeakPolarHBondContact O-CB 3.5Å; C93-I275 PolarHBondContact N-O 2.73Å; C93-I275 PolarHBondContact O-N 2.88Å
94	V	97.2	Very high	95.2	Very high	31 Å²	31	58.3 Å²	58.3	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.1	-177.8	-177.1	0	0	0	0	108.8	N75 E272 I273 V274	N75-V94 HydrophobicContact CB-CG2 4.19Å; V94-E272 HydrophobicContact CG1-CG 3.48Å; V94-E272 VanDerWaalsContact CG1-CG 3.48Å; V94-I273 WeakPolarHBondContact CA-O 3.45Å; V94-V274 HydrophobicContact CG2-CG2 4.32Å
95	K	97	Very high	95	Very high	63 Å²	63	59.6 Å²	59.6	27%	0.274	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.4	170.8	-70.6	-62.9	-167.9	-175.1	0	109.3	V67 C72 I273 I275	V67-K95 HydrophobicContact CG1-CB 4.03Å; V67-K95 HydrophobicContact CG1-CG 4.07Å; C72-K95 VanDerWaalsContact SG-CE 3.54Å; K95-I273 HydrophobicContact CB-CB 4.46Å; K95-I273 PolarHBondContact N-O 3.36Å; K95-I273 PolarHBondContact O-N 3.03Å; K95-I275 HydrophobicContact CB-CD1 4.41Å; K95-I275 HydrophobicContact CG-CD1 4.01Å
96	H	95.2	Very high	95	Very high	115 Å²	115	61 Å²	61	53%	0.532	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.5	173.3	-66	87	0	0	0	109	Y271 E272	H96-Y271 WeakPolarHBondContact CA-O 3.39Å; H96-E272 IonicContact NE2-OE2 3.54Å
97	I	94.7	Very high	95.1	Very high	17 Å²	17	56.8 Å²	56.8	9%	0.087	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.9	173.6	-169.8	178.5	0	0	0	109.7	Y65 V67 Y271 I273	Y65-I97 HydrophobicContact CD1-CD1 3.76Å; Y65-I97 HydrophobicContact CD1-CG1 4.35Å; Y65-I97 HydrophobicContact CG-CD1 3.97Å; V67-I97 HydrophobicContact CG2-CB 4.12Å; V67-I97 HydrophobicContact CG2-CD1 3.62Å; V67-I97 HydrophobicContact CG2-CG1 4.15Å; I97-Y271 PolarHBondContact N-O 3.49Å; I97-Y271 PolarHBondContact O-N 3.41Å; I97-I273 HydrophobicContact CB-CD1 4.43Å; I97-I273 HydrophobicContact CG2-CD1 3.94Å; I97-I273 HydrophobicContact CG2-CG1 4.39Å
98	T	95.3	Very high	95.3	Very high	88 Å²	88	55.9 Å²	55.9	54%	0.54	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.2	173.2	-53.4	0	0	0	0	108.7	E100	T98-E100 PolarHBondContact O-N 2.94Å
99	V	93.8	Very high	95.5	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	99.4	176.4	174.1	0	0	0	0	107.7	Y65 S101 I103 S268 G269 Y271	Y65-V99 HydrophobicContact CD2-CG1 4.39Å; Y65-V99 HydrophobicContact CD2-CG2 4.29Å; Y65-V99 HydrophobicContact CE2-CB 4.32Å; Y65-V99 HydrophobicContact CE2-CG1 3.69Å; Y65-V99 HydrophobicContact CE2-CG2 4.26Å; Y65-V99 HydrophobicContact CG-CG2 4.42Å; V99-S101 WeakPolarHBondContact CG1-O 3.34Å; V99-I103 HydrophobicContact CG1-CG1 4.23Å; V99-S268 CarbonylContact O-C 3.36Å; V99-S268 VanDerWaalsContact O-CA 3.22Å; V99-S268 WeakPolarHBondContact O-CA 3.38Å; V99-S268 VanDerWaalsContact O-CB 3.3Å; V99-S268 WeakPolarHBondContact O-CB 3.45Å; V99-G269 PolarHBondContact N-O 2.75Å; V99-G269 PolarHBondContact O-N 2.74Å; V99-Y271 HydrophobicContact CB-CD2 4.21Å; V99-Y271 HydrophobicContact CB-CE2 3.95Å; V99-Y271 HydrophobicContact CG2-CD2 3.68Å; V99-Y271 HydrophobicContact CG2-CE2 3.76Å
100	E	92.7	Very high	95.7	Very high	172 Å²	172	48.5 Å²	48.5	80%	0.804	28%	0.276	S	S	*	.	S	Bend	trans	-65.7	-36.8	-178.9	-62.1	179.7	172.1	0	0	113	Y65 T98	Y65-E100 PolarHBondContact OH-N 2.71Å; Y65-E100 VanDerWaalsContact OH-N 3.08Å; T98-E100 PolarHBondContact O-N 2.94Å
101	S	91.7	Very high	95.9	Very high	61 Å²	61	44.2 Å²	44.2	43%	0.427	25%	0.247	S	C	.	.	S	Bend	trans	-125.3	134.5	179.3	63.9	0	0	0	0	109.9	Y65 V99 I103	Y65-S101 PolarHBondContact OH-N 3.01Å; V99-S101 WeakPolarHBondContact CG1-O 3.34Å; S101-I103 PolarHBondContact O-N 2.74Å
102	S	94.7	Very high	96	Very high	68 Å²	68	44.4 Å²	44.4	48%	0.476	25%	0.249	S	C	.	.			trans	-54.3	136.5	179.5	56.1	0	0	0	0	111.1	P104 L266	S102-P104 WeakPolarHBondContact O-CD 3.48Å; S102-L266 CarbonylContact C-O 3.57Å; S102-L266 VanDerWaalsContact CA-O 3.23Å; S102-L266 WeakPolarHBondContact CA-O 3.28Å; S102-L266 WeakPolarHBondContact CB-O 3.43Å
103	I	96.7	Very high	96	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.8	174.3	-52.6	172.8	0	0	0	107	V63 Y65 V99 S101 V107 G265 L266 L292 N294	V63-I103 HydrophobicContact CB-CG1 4.38Å; V63-I103 HydrophobicContact CB-CG2 4.35Å; V63-I103 HydrophobicContact CG1-CG1 3.87Å; Y65-I103 HydrophobicContact CD2-CD1 3.65Å; Y65-I103 HydrophobicContact CD2-CG1 3.96Å; Y65-I103 HydrophobicContact CE2-CD1 4.19Å; Y65-I103 HydrophobicContact CE2-CG1 4.02Å; V99-I103 HydrophobicContact CG1-CG1 4.23Å; S101-I103 PolarHBondContact O-N 2.74Å; I103-V107 HydrophobicContact CB-CG2 4.17Å; I103-V107 HydrophobicContact CG2-CG1 4.12Å; I103-V107 HydrophobicContact CG2-CG2 3.74Å; I103-G265 CarbonylContact O-C 3.58Å; I103-G265 VanDerWaalsContact O-CA 3.31Å; I103-G265 WeakPolarHBondContact O-CA 3.37Å; I103-L266 HydrophobicContact CB-CB 4.24Å; I103-L266 HydrophobicContact CD1-CB 4.45Å; I103-L266 HydrophobicContact CD1-CD1 4.3Å; I103-L266 PolarHBondContact N-O 2.99Å; I103-L266 PolarHBondContact O-N 2.9Å; I103-L292 HydrophobicContact CD1-CB 4.06Å; I103-N294 HydrophobicContact CG2-CB 3.9Å
104	P	95.6	Very high	96.1	Very high	56 Å²	56	42.9 Å²	42.9	36%	0.364	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	143.6	-177.3	27.4	-32.9	0	0	0	110.9	S102 N294	S102-P104 WeakPolarHBondContact O-CD 3.48Å; P104-N294 WeakPolarHBondContact CG-ND2 3.42Å; P104-N294 WeakPolarHBondContact O-CB 3.23Å
105	G	92.5	Very high	96.1	Very high	32 Å²	32	44.1 Å²	44.1	33%	0.33	25%	0.246	S	C	.	.	S	Bend	trans	-67.4	155.8	179.1	0	0	0	0	0	113.2	N264	G105-N264 PolarHBondContact N-O 3.06Å
106	P	95.5	Very high	96.2	Very high	59 Å²	59	42.3 Å²	42.3	38%	0.383	24%	0.238	S	C	.	.	S	Bend	cis	-74.7	146.5	-5.9	30.9	-34.6	0	0	0	112.5	Y108 N294	P106-Y108 HydrophobicContact CB-CE2 4.23Å; P106-Y108 HydrophobicContact CG-CE2 3.93Å; P106-Y108 WeakPolarHBondContact CG-OH 3.24Å; P106-N294 WeakPolarHBondContact O-CA 3.4Å
107	V	97.2	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.6	-179.9	-173.8	0	0	0	0	111.2	I103 V256 L266	I103-V107 HydrophobicContact CB-CG2 4.17Å; I103-V107 HydrophobicContact CG2-CG1 4.12Å; I103-V107 HydrophobicContact CG2-CG2 3.74Å; V107-V256 HydrophobicContact CB-CB 4.06Å; V107-V256 HydrophobicContact CB-CG2 3.92Å; V107-V256 HydrophobicContact CG1-CG2 3.99Å; V107-V256 PolarHBondContact O-N 2.68Å; V107-L266 HydrophobicContact CB-CG 4.35Å; V107-L266 HydrophobicContact CG1-CD1 3.85Å; V107-L266 HydrophobicContact CG1-CG 4.09Å; V107-L266 HydrophobicContact CG2-CG 4.17Å
108	Y	97.9	Very high	96.5	Very high	54 Å²	54	42.1 Å²	42.1	21%	0.212	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.5	-176.5	-57.6	-84	0	0	0	110.6	P106 Y110 L252 I255 A293 A295	P106-Y108 HydrophobicContact CB-CE2 4.23Å; P106-Y108 HydrophobicContact CG-CE2 3.93Å; P106-Y108 WeakPolarHBondContact CG-OH 3.24Å; Y108-Y110 HydrophobicContact CG-CE2 4.36Å; Y108-L252 HydrophobicContact CD1-CD1 3.91Å; Y108-L252 HydrophobicContact CD1-CD2 4.4Å; Y108-L252 HydrophobicContact CG-CD1 4.29Å; Y108-I255 HydrophobicContact CD1-CD1 4.49Å; Y108-I255 HydrophobicContact CD1-CG1 4Å; Y108-I255 HydrophobicContact CD1-CG2 4.33Å; Y108-I255 HydrophobicContact CE1-CD1 4.26Å; Y108-I255 HydrophobicContact CE1-CG1 4.24Å; Y108-I255 HydrophobicContact CE1-CG2 4.31Å; Y108-A293 PolarHBondContact N-O 3.35Å; Y108-A293 PolarHBondContact O-N 3.36Å; Y108-A295 HydrophobicContact CD2-CB 4.23Å; Y108-A295 HydrophobicContact CE2-CB 3.73Å
109	L	98	Very high	96.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.7	175.4	-168.7	163	0	0	0	108.4	F171 T187 N253 A254 F290 I291 L292	L109-F171 HydrophobicContact CD2-CD2 3.96Å; L109-T187 HydrophobicContact CD1-CG2 4.43Å; L109-N253 HydrophobicContact CD2-CB 3.62Å; L109-N253 WeakPolarHBondContact CD2-OD1 3.33Å; L109-N253 WeakPolarHBondContact O-CB 3.5Å; L109-N253 PolarHBondContact O-N 3.37Å; L109-A254 HydrophobicContact CB-CB 4.36Å; L109-A254 PolarHBondContact N-O 3.32Å; L109-A254 PolarHBondContact O-N 3.42Å; L109-F290 HydrophobicContact CD1-CE2 3.6Å; L109-F290 HydrophobicContact CD1-CZ 3.76Å; L109-F290 HydrophobicContact CD2-CD2 4.21Å; L109-F290 HydrophobicContact CD2-CE2 3.7Å; L109-F290 HydrophobicContact CD2-CZ 4.45Å; L109-F290 HydrophobicContact CG-CD2 4.46Å; L109-F290 HydrophobicContact CG-CE2 3.6Å; L109-F290 HydrophobicContact CG-CZ 3.85Å; L109-I291 WeakPolarHBondContact CA-O 3.4Å; L109-L292 HydrophobicContact CB-CD2 4.09Å; L109-L292 HydrophobicContact CD1-CD2 4.33Å; L109-L292 HydrophobicContact CG-CD2 4.09Å
110	Y	98.5	Very high	96.8	Very high	45 Å²	45	46.1 Å²	46.1	18%	0.176	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.2	175.1	-53	-98.9	0	0	0	110.7	Y108 R250 K251 L252 I291 A293	Y108-Y110 HydrophobicContact CG-CE2 4.36Å; Y110-R250 HydrophobicContact CD1-CG 4.3Å; Y110-K251 VanDerWaalsContact CA-O 3.24Å; Y110-K251 WeakPolarHBondContact CA-O 3.49Å; Y110-K251 WeakPolarHBondContact CB-O 3.36Å; Y110-L252 HydrophobicContact CD1-CB 4Å; Y110-L252 HydrophobicContact CD1-CD1 4.07Å; Y110-L252 HydrophobicContact CE1-CB 3.84Å; Y110-L252 HydrophobicContact CE1-CD1 3.71Å; Y110-L252 HydrophobicContact CE1-CG 4.33Å; Y110-L252 HydrophobicContact CE2-CD1 4.44Å; Y110-I291 PolarHBondContact N-O 3.44Å; Y110-I291 PolarHBondContact O-N 2.92Å; Y110-A293 HydrophobicContact CE2-CB 4.41Å
111	Y	98.5	Very high	97	Very high	8 Å²	8	45 Å²	45	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.6	156.4	60.8	-95	0	0	0	109.5	F167 W240 R250 K251 N253 K289	Y111-F167 AromaticContact CD1-CD1 3.66Å; Y111-F167 HydrophobicContact CD1-CD1 3.66Å; Y111-F167 AromaticContact CD1-CE1 3.62Å; Y111-F167 HydrophobicContact CD1-CE1 3.62Å; Y111-F167 HydrophobicContact CD1-CG 4.38Å; Y111-F167 HydrophobicContact CD1-CZ 4.31Å; Y111-F167 AromaticContact CD2-CD1 3.96Å; Y111-F167 HydrophobicContact CD2-CD1 3.96Å; Y111-F167 AromaticContact CD2-CD2 3.97Å; Y111-F167 HydrophobicContact CD2-CD2 3.97Å; Y111-F167 HydrophobicContact CD2-CE1 4.06Å; Y111-F167 HydrophobicContact CD2-CE2 4.07Å; Y111-F167 AromaticContact CD2-CG 3.89Å; Y111-F167 HydrophobicContact CD2-CG 3.89Å; Y111-F167 HydrophobicContact CD2-CZ 4.09Å; Y111-F167 AromaticContact CE1-CD1 3.68Å; Y111-F167 HydrophobicContact CE1-CD1 3.68Å; Y111-F167 HydrophobicContact CE1-CE1 4.14Å; Y111-F167 HydrophobicContact CE1-CG 4.25Å; Y111-F167 HydrophobicContact CE2-CB 3.88Å; Y111-F167 AromaticContact CE2-CD1 3.93Å; Y111-F167 HydrophobicContact CE2-CD1 3.93Å; Y111-F167 HydrophobicContact CE2-CD2 4.08Å; Y111-F167 HydrophobicContact CE2-CE1 4.49Å; Y111-F167 AromaticContact CE2-CG 3.68Å; Y111-F167 HydrophobicContact CE2-CG 3.68Å; Y111-F167 AromaticContact CG-CD1 3.83Å; Y111-F167 HydrophobicContact CG-CD1 3.83Å; Y111-F167 HydrophobicContact CG-CD2 4.48Å; Y111-F167 AromaticContact CG-CE1 3.61Å; Y111-F167 HydrophobicContact CG-CE1 3.61Å; Y111-F167 HydrophobicContact CG-CE2 4.28Å; Y111-F167 HydrophobicContact CG-CG 4.25Å; Y111-F167 AromaticContact CG-CZ 3.83Å; Y111-F167 HydrophobicContact CG-CZ 3.83Å; Y111-F167 AromaticContact CZ-CD1 3.81Å; Y111-F167 AromaticContact CZ-CG 3.88Å; Y111-W240 HydrophobicContact CE2-CE3 4.28Å; Y111-W240 HydrophobicContact CE2-CZ3 4.13Å; Y111-R250 CarbonylContact O-C 3.55Å; Y111-R250 WeakPolarHBondContact O-CA 3.29Å; Y111-K251 HydrophobicContact CD2-CB 4.28Å; Y111-K251 HydrophobicContact CE1-CB 3.95Å; Y111-K251 HydrophobicContact CE2-CB 3.59Å; Y111-K251 HydrophobicContact CE2-CD 3.82Å; Y111-K251 HydrophobicContact CE2-CG 4.17Å; Y111-K251 PolarHBondContact N-O 3.17Å; Y111-K251 VanDerWaalsContact N-O 3.09Å; Y111-K251 PolarHBondContact O-N 3.1Å; Y111-K251 WeakPolarHBondContact OH-CB 3.25Å; Y111-K251 WeakPolarHBondContact OH-CD 3.35Å; Y111-N253 HydrophobicContact CD1-CB 3.78Å; Y111-N253 HydrophobicContact CE1-CB 4.17Å; Y111-K289 CarbonylContact C-O 3.53Å; Y111-K289 WeakPolarHBondContact CA-O 3.28Å
112	G	98.4	Very high	97.3	Very high	4 Å²	4	51.3 Å²	51.3	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.2	175.3	0	0	0	0	0	111.4	F249 K288 K289	G112-F249 CarbonylContact C-O 3.44Å; G112-F249 VanDerWaalsContact CA-O 3.24Å; G112-F249 WeakPolarHBondContact CA-O 3.42Å; G112-K288 WeakPolarHBondContact O-CA 3.34Å; G112-K289 PolarHBondContact N-O 3.47Å; G112-K289 PolarHBondContact O-N 3.38Å
113	L	98.6	Very high	97.4	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.7	171.5	-65.3	178	0	0	0	109.1	F116 F167 W240 N248 F249 Y279 V281 R287 K288	L113-F116 HydrophobicContact CB-CB 4.17Å; L113-F116 HydrophobicContact CD1-CD2 4.11Å; L113-F116 HydrophobicContact CD1-CG 4.34Å; L113-F167 HydrophobicContact CD1-CD2 4.36Å; L113-F167 HydrophobicContact CD2-CD2 4.42Å; L113-F167 HydrophobicContact CD2-CE2 4.26Å; L113-W240 HydrophobicContact CD1-CH2 3.94Å; L113-W240 HydrophobicContact CD1-CZ3 3.95Å; L113-N248 WeakPolarHBondContact O-CA 3.44Å; L113-F249 HydrophobicContact CB-CE1 4.2Å; L113-F249 HydrophobicContact CB-CE2 4.12Å; L113-F249 HydrophobicContact CB-CZ 3.85Å; L113-F249 HydrophobicContact CD1-CE2 4.09Å; L113-F249 HydrophobicContact CD1-CZ 3.78Å; L113-F249 HydrophobicContact CG-CE2 4.38Å; L113-F249 HydrophobicContact CG-CZ 4.3Å; L113-F249 PolarHBondContact N-O 2.88Å; L113-F249 PolarHBondContact O-N 3.01Å; L113-Y279 HydrophobicContact CD1-CE1 3.98Å; L113-Y279 HydrophobicContact CD2-CD1 4.39Å; L113-Y279 HydrophobicContact CD2-CE1 4.41Å; L113-V281 HydrophobicContact CD2-CG1 4.15Å; L113-R287 WeakPolarHBondContact CA-O 3.31Å; L113-K288 HydrophobicContact CD2-CD 4.43Å; L113-K288 HydrophobicContact CD2-CG 3.88Å
114	S	98.4	Very high	97.5	Very high	20 Å²	20	50.8 Å²	50.8	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	155.2	171.6	70.9	0	0	0	0	111.7	F116 N248 G286 R287	S114-F116 PolarHBondContact O-N 3.47Å; S114-N248 WeakPolarHBondContact CA-OD1 3.44Å; S114-N248 WeakPolarHBondContact CB-OD1 3.31Å; S114-G286 WeakPolarHBondContact O-CA 3.45Å; S114-R287 PolarHBondContact N-O 3.29Å; S114-R287 PolarHBondContact O-N 3.49Å; S114-R287 WeakPolarHBondContact OG-CA 3.43Å; S114-R287 WeakPolarHBondContact OG-CB 3.27Å; S114-R287 PolarHBondContact OG-N 2.89Å
115	N	98.2	Very high	97.5	Very high	58 Å²	58	56 Å²	56	31%	0.31	26%	0.256	S	S	.	.	S	Bend	trans	54.7	34.1	-176.1	-156.9	34.2	0	0	0	113.4	Y117 P247 N248 F284	N115-Y117 VanDerWaalsContact OD1-CE2 3.26Å; N115-Y117 WeakPolarHBondContact OD1-CE2 3.33Å; N115-Y117 PolarHBondContact OD1-OH 2.9Å; N115-P247 PolarHBondContact N-O 3.12Å; N115-N248 PolarHBondContact N-OD1 2.61Å; N115-F284 PolarHBondContact ND2-O 3.27Å
116	F	98.3	Very high	97.8	Very high	24 Å²	24	54.6 Å²	54.6	11%	0.105	24%	0.241	C	C	.	.			trans	-117	104.4	-179.7	-167.3	-67	0	0	0	110.4	L113 S114 Q118 Y123 W240 P247 F249 Y279 F284	L113-F116 HydrophobicContact CB-CB 4.17Å; L113-F116 HydrophobicContact CD1-CD2 4.11Å; L113-F116 HydrophobicContact CD1-CG 4.34Å; S114-F116 PolarHBondContact O-N 3.47Å; F116-Q118 HydrophobicContact CD1-CB 4.49Å; F116-Q118 HydrophobicContact CD1-CG 3.49Å; F116-Q118 VanDerWaalsContact CD1-CG 3.49Å; F116-Q118 HydrophobicContact CE1-CG 3.47Å; F116-Q118 VanDerWaalsContact CE1-CG 3.47Å; F116-Q118 PolarHBondContact O-N 3.44Å; F116-Y123 HydrophobicContact CE1-CE2 4.4Å; F116-W240 HydrophobicContact CE1-CH2 4.25Å; F116-W240 HydrophobicContact CE1-CZ2 4.36Å; F116-W240 HydrophobicContact CZ-CH2 4Å; F116-W240 HydrophobicContact CZ-CZ2 4.06Å; F116-P247 PolarHBondContact N-O 3.24Å; F116-P247 VanDerWaalsContact O-CA 3.32Å; F116-P247 WeakPolarHBondContact O-CA 3.37Å; F116-F249 HydrophobicContact CB-CE1 3.81Å; F116-F249 HydrophobicContact CB-CZ 4.32Å; F116-F249 AromaticContact CD1-CE1 3.82Å; F116-F249 HydrophobicContact CD1-CE1 3.82Å; F116-F249 AromaticContact CD1-CZ 3.96Å; F116-F249 HydrophobicContact CD1-CZ 3.96Å; F116-F249 HydrophobicContact CG-CE1 4.08Å; F116-F249 HydrophobicContact CG-CZ 4.22Å; F116-F249 WeakPolarHBondContact O-CE1 3.26Å; F116-Y279 HydrophobicContact CE2-CE1 4.1Å; F116-Y279 WeakPolarHBondContact CE2-OH 3.38Å; F116-Y279 WeakPolarHBondContact CZ-OH 3.48Å; F116-F284 HydrophobicContact CD2-CE2 4.09Å; F116-F284 AromaticContact CD2-CZ 3.8Å; F116-F284 HydrophobicContact CD2-CZ 3.8Å; F116-F284 HydrophobicContact CE2-CZ 4.28Å
117	Y	97.9	Very high	97.9	Very high	128 Å²	128	53.9 Å²	53.9	50%	0.502	23%	0.231	S	C	.	.			trans	-83.9	68.4	-171.4	-64.1	-93	0	0	0	113.5	N115 N119 H120 P247	N115-Y117 VanDerWaalsContact OD1-CE2 3.26Å; N115-Y117 WeakPolarHBondContact OD1-CE2 3.33Å; N115-Y117 PolarHBondContact OD1-OH 2.9Å; Y117-N119 PolarHBondContact O-N 3.48Å; Y117-H120 WeakPolarHBondContact O-CB 3.36Å; Y117-H120 PolarHBondContact O-N 3.3Å; Y117-H120 VanDerWaalsContact O-N 3.12Å; Y117-P247 HydrophobicContact CD1-CB 3.82Å; Y117-P247 HydrophobicContact CD1-CG 4.41Å; Y117-P247 HydrophobicContact CD2-CB 4.5Å; Y117-P247 HydrophobicContact CE1-CB 3.7Å; Y117-P247 HydrophobicContact CE1-CG 3.99Å; Y117-P247 HydrophobicContact CE2-CB 4.39Å; Y117-P247 HydrophobicContact CG-CB 4.22Å
118	Q	98.1	Very high	97.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.6	173.7	-71.3	-161.9	-29.1	0	0	112.4	F116 H120 Y123 W240 I243 A244 F249 K251	F116-Q118 HydrophobicContact CD1-CB 4.49Å; F116-Q118 HydrophobicContact CD1-CG 3.49Å; F116-Q118 VanDerWaalsContact CD1-CG 3.49Å; F116-Q118 HydrophobicContact CE1-CG 3.47Å; F116-Q118 VanDerWaalsContact CE1-CG 3.47Å; F116-Q118 PolarHBondContact O-N 3.44Å; Q118-H120 PolarHBondContact O-N 3.36Å; Q118-Y123 HydrophobicContact CB-CD1 4.32Å; Q118-Y123 HydrophobicContact CB-CE1 3.97Å; Q118-Y123 HydrophobicContact CG-CE1 3.88Å; Q118-Y123 VanDerWaalsContact O-CD1 3.23Å; Q118-Y123 WeakPolarHBondContact O-CD1 3.34Å; Q118-W240 VanDerWaalsContact NE2-CH2 3.34Å; Q118-I243 HydrophobicContact CB-CG2 3.95Å; Q118-I243 WeakPolarHBondContact O-CG2 3.44Å; Q118-A244 HydrophobicContact CB-CB 4.34Å; Q118-F249 HydrophobicContact CG-CE1 3.74Å; Q118-F249 HydrophobicContact CG-CZ 3.78Å; Q118-K251 VanDerWaalsContact OE1-CE 3.3Å
119	N	97.8	Very high	97.8	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-3.4	178.7	64.6	-7.4	0	0	0	114.1	Y117 R121 A245	Y117-N119 PolarHBondContact O-N 3.48Å; N119-R121 PolarHBondContact O-N 3.03Å; N119-A245 PolarHBondContact ND2-O 3.35Å
120	H	98	Very high	97.7	Very high	104 Å²	104	59 Å²	59	48%	0.481	26%	0.262	S	S	.	.			trans	-62	127.8	178.5	-176.3	-95.4	0	0	0	110.4	Y117 Q118 R122 Y123 A124	Y117-H120 WeakPolarHBondContact O-CB 3.36Å; Y117-H120 PolarHBondContact O-N 3.3Å; Y117-H120 VanDerWaalsContact O-N 3.12Å; Q118-H120 PolarHBondContact O-N 3.36Å; H120-R122 VanDerWaalsContact C-N 3.26Å; H120-R122 PolarHBondContact ND1-N 2.84Å; H120-R122 PolarHBondContact O-N 3.38Å; H120-Y123 WeakPolarHBondContact O-CA 3.13Å; H120-Y123 WeakPolarHBondContact O-CB 3.32Å; H120-Y123 PolarHBondContact O-N 3.01Å; H120-A124 PolarHBondContact O-N 3.3Å
121	R	97.2	Very high	97.5	Very high	148 Å²	148	57.1 Å²	57.1	56%	0.558	26%	0.255	S	S	*	.	H	α-helix	trans	-50.1	-42	-171	-170.7	-176.6	78.3	84.3	-6.9	114	N119 R125	N119-R121 PolarHBondContact O-N 3.03Å; R121-R125 WeakPolarHBondContact O-CB 3.38Å; R121-R125 WeakPolarHBondContact O-CG 3.49Å; R121-R125 PolarHBondContact O-N 2.94Å
122	R	97	Very high	97.4	Very high	195 Å²	195	56.9 Å²	56.9	74%	0.736	25%	0.254	S	S	*	.	H	α-helix	trans	-69.6	-38.8	178.8	-65.4	-173.9	-177.8	173.2	-0.1	112.2	H120 S126	H120-R122 VanDerWaalsContact C-N 3.26Å; H120-R122 PolarHBondContact ND1-N 2.84Å; H120-R122 PolarHBondContact O-N 3.38Å; R122-S126 WeakPolarHBondContact O-CB 3.39Å; R122-S126 PolarHBondContact O-N 3.23Å
123	Y	97.9	Very high	97.2	Very high	32 Å²	32	60.1 Å²	60.1	13%	0.125	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-49.3	177.4	-177.4	-88.6	0	0	0	110.3	F116 Q118 H120 R125 S126 A161 I162 S165 W240	F116-Y123 HydrophobicContact CE1-CE2 4.4Å; Q118-Y123 HydrophobicContact CB-CD1 4.32Å; Q118-Y123 HydrophobicContact CB-CE1 3.97Å; Q118-Y123 HydrophobicContact CG-CE1 3.88Å; Q118-Y123 VanDerWaalsContact O-CD1 3.23Å; Q118-Y123 WeakPolarHBondContact O-CD1 3.34Å; H120-Y123 WeakPolarHBondContact O-CA 3.13Å; H120-Y123 WeakPolarHBondContact O-CB 3.32Å; H120-Y123 PolarHBondContact O-N 3.01Å; Y123-R125 PolarHBondContact O-N 3.34Å; Y123-S126 WeakPolarHBondContact O-CB 3.41Å; Y123-S126 PolarHBondContact O-N 3.48Å; Y123-A161 HydrophobicContact CD2-CB 4.09Å; Y123-A161 HydrophobicContact CE2-CB 4.37Å; Y123-I162 HydrophobicContact CD1-CG1 3.99Å; Y123-I162 HydrophobicContact CE1-CB 4.28Å; Y123-I162 HydrophobicContact CE1-CG1 3.79Å; Y123-I162 HydrophobicContact CE1-CG2 4.23Å; Y123-I162 WeakPolarHBondContact O-CG1 3.21Å; Y123-S165 VanDerWaalsContact CE2-OG 3.31Å; Y123-S165 WeakPolarHBondContact CE2-OG 3.42Å; Y123-S165 PolarHBondContact OH-OG 2.82Å; Y123-W240 WeakPolarHBondContact OH-CZ2 3.21Å
124	A	97.2	Very high	96.9	Very high	26 Å²	26	60.2 Å²	60.2	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-31.6	-178.5	0	0	0	0	0	114.3	H120 I243	H120-A124 PolarHBondContact O-N 3.3Å; A124-I243 VanDerWaalsContact CA-CD1 3.47Å; A124-I243 HydrophobicContact CB-CD1 3.64Å
125	R	97	Very high	96.7	Very high	166 Å²	166	63.3 Å²	63.3	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-83	-14.7	176.1	-73.4	-175.4	175.9	-161	-1.3	113.8	R121 Y123 K127	R121-R125 WeakPolarHBondContact O-CB 3.38Å; R121-R125 WeakPolarHBondContact O-CG 3.49Å; R121-R125 PolarHBondContact O-N 2.94Å; Y123-R125 PolarHBondContact O-N 3.34Å; R125-K127 VanDerWaalsContact C-N 3.29Å; R125-K127 PolarHBondContact O-N 3.01Å
126	S	98	Very high	96.5	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.014	29%	0.288	C	S	.	.			trans	-84	72.6	-170.8	-163.4	0	0	0	0	112	R122 Y123 S144 C145 G160 A161 I162	R122-S126 WeakPolarHBondContact O-CB 3.39Å; R122-S126 PolarHBondContact O-N 3.23Å; Y123-S126 WeakPolarHBondContact O-CB 3.41Å; Y123-S126 PolarHBondContact O-N 3.48Å; S126-S144 WeakPolarHBondContact CA-O 3.39Å; S126-C145 PolarHBondContact OG-O 3.25Å; S126-G160 CarbonylContact O-C 3.52Å; S126-G160 VanDerWaalsContact O-CA 3.27Å; S126-G160 WeakPolarHBondContact O-CA 3.44Å; S126-G160 WeakPolarHBondContact OG-CA 3.22Å; S126-A161 PolarHBondContact O-N 3.01Å; S126-A161 PolarHBondContact OG-N 2.88Å; S126-I162 PolarHBondContact O-N 2.66Å
127	K	97.3	Very high	96.3	Very high	43 Å²	43	65.4 Å²	65.4	19%	0.187	29%	0.291	C	S	.	.			trans	-160.6	167.5	175.6	57.7	167	-173.7	146.4	0	109.4	R125 D129 S144 C145 I162 M241	R125-K127 VanDerWaalsContact C-N 3.29Å; R125-K127 PolarHBondContact O-N 3.01Å; K127-D129 IonicContact NZ-OD1 2.74Å; K127-D129 PolarHBondContact NZ-OD1 3.19Å; K127-D129 IonicContact NZ-OD2 3.01Å; K127-D129 PolarHBondContact NZ-OD2 2.9Å; K127-S144 PolarHBondContact O-OG 3.02Å; K127-C145 VanDerWaalsContact CA-SG 3.55Å; K127-I162 HydrophobicContact CB-CD1 4.18Å; K127-I162 HydrophobicContact CD-CD1 4.11Å; K127-I162 HydrophobicContact CG-CD1 4.09Å; K127-M241 HydrophobicContact CB-CE 4Å; K127-M241 HydrophobicContact CD-CE 4.46Å
128	N	97.2	Very high	96	Very high	15 Å²	15	62.9 Å²	62.9	8%	0.08	29%	0.286	C	S	.	.			trans	-128.9	118.1	169.4	-178.7	-73.5	0	0	0	109.1	D130 Q131 L132 L142 C159	N128-D130 PolarHBondContact OD1-N 3.18Å; N128-Q131 HydrophobicContact CB-CB 4.09Å; N128-Q131 WeakPolarHBondContact OD1-CB 3.16Å; N128-Q131 PolarHBondContact OD1-N 2.84Å; N128-L132 WeakPolarHBondContact O-CG 3.31Å; N128-L132 PolarHBondContact O-N 2.91Å; N128-L142 HydrophobicContact CB-CD2 3.53Å; N128-L142 VanDerWaalsContact CG-CD2 3.41Å; N128-L142 WeakPolarHBondContact ND2-CD2 3.38Å; N128-C159 VanDerWaalsContact CB-SG 3.54Å
129	D	96.1	Very high	95.8	Very high	73 Å²	73	64 Å²	64	39%	0.39	29%	0.294	S	S	.	.	H	α-helix	trans	-73.8	-33	-173.7	-72.3	-43.9	0	0	0	112.3	K127 Q131 L132 L133	K127-D129 IonicContact NZ-OD1 2.74Å; K127-D129 PolarHBondContact NZ-OD1 3.19Å; K127-D129 IonicContact NZ-OD2 3.01Å; K127-D129 PolarHBondContact NZ-OD2 2.9Å; D129-Q131 VanDerWaalsContact C-N 3.32Å; D129-Q131 PolarHBondContact O-N 3.47Å; D129-L132 PolarHBondContact O-N 3.38Å; D129-L133 WeakPolarHBondContact O-CG 3.23Å; D129-L133 PolarHBondContact O-N 3.2Å
130	D	95	Very high	95.6	Very high	76 Å²	76	65.5 Å²	65.5	41%	0.406	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-38.4	175.8	-62.6	-36.1	0	0	0	111.7	N128 L133 G134 I135 Q137	N128-D130 PolarHBondContact OD1-N 3.18Å; D130-L133 WeakPolarHBondContact O-CB 3.44Å; D130-L133 PolarHBondContact O-N 2.9Å; D130-G134 PolarHBondContact O-N 3.38Å; D130-I135 HydrophobicContact CB-CD1 4.38Å; D130-I135 WeakPolarHBondContact O-CB 3.4Å; D130-I135 PolarHBondContact O-N 3.33Å; D130-Q137 HydrophobicContact CB-CG 4.32Å; D130-Q137 VanDerWaalsContact CB-NE2 3.25Å
131	Q	95	Very high	95.4	Very high	5 Å²	5	62.8 Å²	62.8	2%	0.023	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-44.3	173.1	-165.3	-171.4	50.6	0	0	110.9	N128 D129 L133 G134 I135 Q137 I156 L157 C159 F231	N128-Q131 HydrophobicContact CB-CB 4.09Å; N128-Q131 WeakPolarHBondContact OD1-CB 3.16Å; N128-Q131 PolarHBondContact OD1-N 2.84Å; D129-Q131 VanDerWaalsContact C-N 3.32Å; D129-Q131 PolarHBondContact O-N 3.47Å; Q131-L133 PolarHBondContact O-N 3.31Å; Q131-G134 WeakPolarHBondContact O-CA 3.46Å; Q131-G134 PolarHBondContact O-N 3.23Å; Q131-I135 WeakPolarHBondContact CA-O 3.32Å; Q131-Q137 HydrophobicContact CB-CG 4.12Å; Q131-I156 PolarHBondContact NE2-O 3.34Å; Q131-L157 HydrophobicContact CG-CD1 3.51Å; Q131-C159 PolarHBondContact OE1-SG 3.22Å; Q131-F231 WeakPolarHBondContact O-CE2 3.27Å
132	L	95.8	Very high	95.3	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-24.6	176.9	-63	173.3	0	0	0	112.8	N128 D129 G134 P158 F202 G203 F231 M241	N128-L132 WeakPolarHBondContact O-CG 3.31Å; N128-L132 PolarHBondContact O-N 2.91Å; D129-L132 PolarHBondContact O-N 3.38Å; L132-G134 PolarHBondContact O-N 3.5Å; L132-P158 HydrophobicContact CD2-CB 4.11Å; L132-F202 HydrophobicContact CB-CD1 4.35Å; L132-F202 HydrophobicContact CB-CE1 4.35Å; L132-F202 HydrophobicContact CD1-CE1 4.19Å; L132-F202 HydrophobicContact CD1-CZ 4.38Å; L132-F202 HydrophobicContact CD2-CD1 4.39Å; L132-F202 HydrophobicContact CD2-CE1 3.94Å; L132-F202 HydrophobicContact CG-CE1 4.38Å; L132-F202 WeakPolarHBondContact O-CA 3.22Å; L132-G203 PolarHBondContact O-N 3.25Å; L132-F231 HydrophobicContact CD2-CE1 4.27Å; L132-F231 HydrophobicContact CD2-CZ 4.26Å; L132-M241 HydrophobicContact CD1-CE 3.67Å; L132-M241 HydrophobicContact CD2-CE 4.29Å
133	L	94.9	Very high	95.2	Very high	73 Å²	73	50.4 Å²	50.4	38%	0.382	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-0.7	168.8	-70.7	170.4	0	0	0	113.4	D129 D130 Q131 I135 R200 G203	D129-L133 WeakPolarHBondContact O-CG 3.23Å; D129-L133 PolarHBondContact O-N 3.2Å; D130-L133 WeakPolarHBondContact O-CB 3.44Å; D130-L133 PolarHBondContact O-N 2.9Å; Q131-L133 PolarHBondContact O-N 3.31Å; L133-I135 HydrophobicContact CB-CD1 4.32Å; L133-I135 HydrophobicContact CB-CG1 4.45Å; L133-R200 WeakPolarHBondContact CD2-O 3.05Å; L133-G203 WeakPolarHBondContact O-CA 3.45Å
134	G	93.4	Very high	95.1	Very high	4 Å²	4	51.3 Å²	51.3	4%	0.041	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	13.7	178.7	0	0	0	0	0	114	D130 Q131 L132 A209	D130-G134 PolarHBondContact O-N 3.38Å; Q131-G134 WeakPolarHBondContact O-CA 3.46Å; Q131-G134 PolarHBondContact O-N 3.23Å; L132-G134 PolarHBondContact O-N 3.5Å; G134-A209 VanDerWaalsContact O-CB 3.26Å; G134-A209 WeakPolarHBondContact O-CB 3.36Å
135	I	93.3	Very high	95.2	Very high	86 Å²	86	50.1 Å²	50.1	44%	0.441	27%	0.269	S	S	.	.			trans	-89.3	131.9	178.4	-54.8	166.1	0	0	0	108.9	D130 Q131 L133 Q137	D130-I135 HydrophobicContact CB-CD1 4.38Å; D130-I135 WeakPolarHBondContact O-CB 3.4Å; D130-I135 PolarHBondContact O-N 3.33Å; Q131-I135 WeakPolarHBondContact CA-O 3.32Å; L133-I135 HydrophobicContact CB-CD1 4.32Å; L133-I135 HydrophobicContact CB-CG1 4.45Å; I135-Q137 PolarHBondContact O-N 2.96Å
136	Y	93.5	Very high	95.1	Very high	91 Å²	91	47.1 Å²	47.1	36%	0.357	27%	0.266	S	S	.	.			trans	-59.5	136.4	173.1	177.6	-94.5	0	0	0	110.5	D138 P155 N208	Y136-D138 HydrophobicContact CE1-CB 4.42Å; Y136-P155 HydrophobicContact CE2-CG 4.32Å; Y136-N208 WeakPolarHBondContact CD2-O 3.43Å
137	Q	93.9	Very high	95	Very high	34 Å²	34	52 Å²	52	16%	0.159	30%	0.297	C	S	.	.			trans	-129.2	126.6	177	-66.9	-62.7	-42	0	0	109	D130 Q131 I135 S141 L142	D130-Q137 HydrophobicContact CB-CG 4.32Å; D130-Q137 VanDerWaalsContact CB-NE2 3.25Å; Q131-Q137 HydrophobicContact CB-CG 4.12Å; I135-Q137 PolarHBondContact O-N 2.96Å; Q137-S141 PolarHBondContact OE1-OG 3.36Å; Q137-S141 VanDerWaalsContact OE1-OG 3.05Å; Q137-L142 HydrophobicContact CB-CD1 4.3Å; Q137-L142 HydrophobicContact CB-CD2 3.49Å; Q137-L142 VanDerWaalsContact CB-CD2 3.49Å; Q137-L142 HydrophobicContact CB-CG 3.93Å; Q137-L142 HydrophobicContact CG-CD2 4.03Å
138	D	92.7	Very high	95	Very high	76 Å²	76	53.4 Å²	53.4	41%	0.406	30%	0.302	S	S	.	.			trans	-67.9	143.6	173.3	-175.5	-90.9	0	0	0	110.1	Y136 S140 S141	Y136-D138 HydrophobicContact CE1-CB 4.42Å; D138-S140 PolarHBondContact O-N 3.29Å; D138-S140 VanDerWaalsContact OD1-CB 3.28Å; D138-S140 WeakPolarHBondContact OD1-CB 3.43Å; D138-S140 PolarHBondContact OD1-N 3.16Å; D138-S140 PolarHBondContact OD1-OG 2.91Å; D138-S141 PolarHBondContact N-OG 2.83Å; D138-S141 WeakPolarHBondContact O-CB 3.35Å; D138-S141 PolarHBondContact O-N 3.31Å; D138-S141 PolarHBondContact O-OG 3.35Å
139	P	93.4	Very high	95	Very high	24 Å²	24	53.4 Å²	53.4	16%	0.156	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-46.8	-35.5	176.9	-31	35.9	0	0	0	114.9	S141 L142 V149 P155	P139-S141 VanDerWaalsContact C-N 3.27Å; P139-S141 PolarHBondContact O-N 3.1Å; P139-L142 PolarHBondContact O-N 2.93Å; P139-L142 VanDerWaalsContact O-N 3.17Å; P139-V149 HydrophobicContact CB-CG1 4.25Å; P139-V149 VanDerWaalsContact O-CG1 3.22Å; P139-V149 WeakPolarHBondContact O-CG1 3.42Å; P139-P155 HydrophobicContact CG-CB 3.96Å; P139-P155 HydrophobicContact CG-CG 4.25Å
140	S	93.8	Very high	95	Very high	99 Å²	99	52.2 Å²	52.2	69%	0.692	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-63	-29.5	178	61.5	0	0	0	0	113.9	D138	D138-S140 PolarHBondContact O-N 3.29Å; D138-S140 VanDerWaalsContact OD1-CB 3.28Å; D138-S140 WeakPolarHBondContact OD1-CB 3.43Å; D138-S140 PolarHBondContact OD1-N 3.16Å; D138-S140 PolarHBondContact OD1-OG 2.91Å
141	S	94.2	Very high	95	Very high	48 Å²	48	51.1 Å²	51.1	34%	0.336	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-81.9	-13.4	178	69.9	0	0	0	0	113.6	Q137 D138 P139 S143	Q137-S141 PolarHBondContact OE1-OG 3.36Å; Q137-S141 VanDerWaalsContact OE1-OG 3.05Å; D138-S141 PolarHBondContact N-OG 2.83Å; D138-S141 WeakPolarHBondContact O-CB 3.35Å; D138-S141 PolarHBondContact O-N 3.31Å; D138-S141 PolarHBondContact O-OG 3.35Å; P139-S141 VanDerWaalsContact C-N 3.27Å; P139-S141 PolarHBondContact O-N 3.1Å; S141-S143 VanDerWaalsContact C-N 3.3Å; S141-S143 PolarHBondContact O-N 3.12Å
142	L	95.2	Very high	94.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.331	C	S	.	.			trans	-92.9	26.7	-172.5	-65.9	-177.8	0	0	0	113.1	N128 Q137 P139 S144 C145 V149 P155 C159	N128-L142 HydrophobicContact CB-CD2 3.53Å; N128-L142 VanDerWaalsContact CG-CD2 3.41Å; N128-L142 WeakPolarHBondContact ND2-CD2 3.38Å; Q137-L142 HydrophobicContact CB-CD1 4.3Å; Q137-L142 HydrophobicContact CB-CD2 3.49Å; Q137-L142 VanDerWaalsContact CB-CD2 3.49Å; Q137-L142 HydrophobicContact CB-CG 3.93Å; Q137-L142 HydrophobicContact CG-CD2 4.03Å; P139-L142 PolarHBondContact O-N 2.93Å; P139-L142 VanDerWaalsContact O-N 3.17Å; L142-S144 PolarHBondContact O-N 3.1Å; L142-S144 VanDerWaalsContact O-N 3.1Å; L142-C145 VanDerWaalsContact O-CB 3.31Å; L142-C145 WeakPolarHBondContact O-CB 3.42Å; L142-C145 PolarHBondContact O-N 2.77Å; L142-V149 HydrophobicContact CB-CG1 3.83Å; L142-V149 WeakPolarHBondContact O-CG2 3.45Å; L142-P155 HydrophobicContact CD1-CB 4.03Å; L142-C159 HydrophobicContact CD1-CB 4.14Å
143	S	95.2	Very high	94.7	Very high	83 Å²	83	60.8 Å²	60.8	58%	0.58	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-57.7	-28.8	-175.1	65.2	0	0	0	0	114.5	S141 C145 N146	S141-S143 VanDerWaalsContact C-N 3.3Å; S141-S143 PolarHBondContact O-N 3.12Å; S143-C145 PolarHBondContact O-N 3.36Å; S143-N146 PolarHBondContact O-N 3.11Å; S143-N146 PolarHBondContact O-ND2 3.5Å
144	S	95.8	Very high	94.7	Very high	51 Å²	51	61.8 Å²	61.8	36%	0.357	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-64.4	-27.9	174.7	58.4	0	0	0	0	112.8	S126 K127 L142 N146	S126-S144 WeakPolarHBondContact CA-O 3.39Å; K127-S144 PolarHBondContact O-OG 3.02Å; L142-S144 PolarHBondContact O-N 3.1Å; L142-S144 VanDerWaalsContact O-N 3.1Å; S144-N146 VanDerWaalsContact C-N 3.29Å; S144-N146 PolarHBondContact O-N 3.4Å
145	C	97.7	Very high	94.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-80.9	-2.1	-176.7	-77.4	0	0	0	0	114.2	S126 K127 L142 S143 Y148 V149 C159 G160	S126-C145 PolarHBondContact OG-O 3.25Å; K127-C145 VanDerWaalsContact CA-SG 3.55Å; L142-C145 VanDerWaalsContact O-CB 3.31Å; L142-C145 WeakPolarHBondContact O-CB 3.42Å; L142-C145 PolarHBondContact O-N 2.77Å; S143-C145 PolarHBondContact O-N 3.36Å; C145-Y148 CarbonylContact O-C 3.57Å; C145-Y148 WeakPolarHBondContact O-CA 3.46Å; C145-Y148 PolarHBondContact O-N 3.18Å; C145-V149 HydrophobicContact CB-CG2 4.28Å; C145-C159 HydrophobicContact CB-CB 3.51Å; C145-C159 WeakPolarHBondContact CB-SG 3.3Å; C145-C159 WeakPolarHBondContact SG-CB 3.3Å; C145-C159 PolarHBondContact SG-O 3.11Å; C145-C159 CovalentContact SG-SG 2.04Å; C145-C159 PolarHBondContact SG-SG 2.97Å; C145-G160 PolarHBondContact SG-N 2.87Å; C145-G160 VanDerWaalsContact SG-N 3.39Å
146	N	95.7	Very high	95	Very high	104 Å²	104	57.8 Å²	57.8	56%	0.556	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	135.1	179.1	-86.5	-50.6	0	0	0	113.4	S143 S144 V149	S143-N146 PolarHBondContact O-N 3.11Å; S143-N146 PolarHBondContact O-ND2 3.5Å; S144-N146 VanDerWaalsContact C-N 3.29Å; S144-N146 PolarHBondContact O-N 3.4Å; N146-V149 HydrophobicContact CB-CG2 4.29Å; N146-V149 VanDerWaalsContact OD1-CG2 3.25Å; N146-V149 WeakPolarHBondContact OD1-CG2 3.39Å
147	P	96	Very high	95.1	Very high	104 Å²	104	53.6 Å²	53.6	68%	0.675	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.7	-0.4	-0.8	35.5	-36.9	0	0	0	114.7	V149	P147-V149 PolarHBondContact O-N 3.24Å
148	Y	97.6	Very high	95.2	Very high	73 Å²	73	52 Å²	52	29%	0.286	32%	0.315	S	S	.	.	S	Bend	trans	-88	53.8	-175	-51.1	-75.2	0	0	0	112.1	C145 C159 G160 A161 N164 P217	C145-Y148 CarbonylContact O-C 3.57Å; C145-Y148 WeakPolarHBondContact O-CA 3.46Å; C145-Y148 PolarHBondContact O-N 3.18Å; Y148-C159 WeakPolarHBondContact O-CB 3.46Å; Y148-G160 PolarHBondContact O-N 2.9Å; Y148-A161 VanDerWaalsContact CD2-CA 3.49Å; Y148-A161 HydrophobicContact CD2-CB 3.78Å; Y148-A161 HydrophobicContact CE2-CB 3.63Å; Y148-N164 HydrophobicContact CD1-CB 4.11Å; Y148-N164 HydrophobicContact CD2-CB 4.5Å; Y148-N164 HydrophobicContact CE1-CB 4.31Å; Y148-N164 WeakPolarHBondContact CE1-ND2 3.38Å; Y148-N164 HydrophobicContact CG-CB 4.19Å; Y148-P217 HydrophobicContact CD1-CG 4.33Å
149	V	97.6	Very high	95.5	Very high	15 Å²	15	48.4 Å²	48.4	9%	0.091	30%	0.296	C	S	.	.	S	Bend	trans	-90.7	-55.1	-177.8	179.1	0	0	0	0	111.1	P139 L142 C145 N146 P147 I156	P139-V149 HydrophobicContact CB-CG1 4.25Å; P139-V149 VanDerWaalsContact O-CG1 3.22Å; P139-V149 WeakPolarHBondContact O-CG1 3.42Å; L142-V149 HydrophobicContact CB-CG1 3.83Å; L142-V149 WeakPolarHBondContact O-CG2 3.45Å; C145-V149 HydrophobicContact CB-CG2 4.28Å; N146-V149 HydrophobicContact CB-CG2 4.29Å; N146-V149 VanDerWaalsContact OD1-CG2 3.25Å; N146-V149 WeakPolarHBondContact OD1-CG2 3.39Å; P147-V149 PolarHBondContact O-N 3.24Å; V149-I156 PolarHBondContact O-N 3.13Å
150	S	95.9	Very high	95.7	Very high	47 Å²	47	47.3 Å²	47.3	33%	0.329	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	157.7	-172.5	55.3	0	0	0	0	111.4	K154	S150-K154 CarbonylContact C-O 3.52Å; S150-K154 WeakPolarHBondContact CA-O 3.45Å; S150-K154 WeakPolarHBondContact CB-O 3.38Å
151	I	95.5	Very high	95.9	Very high	53 Å²	53	43.3 Å²	43.3	27%	0.272	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.3	170.4	-54.4	171.4	0	0	0	106.5	G153 K154 I156 I214 P217	I151-G153 PolarHBondContact O-N 3.08Å; I151-K154 PolarHBondContact N-O 3.14Å; I151-K154 WeakPolarHBondContact O-CB 3.26Å; I151-K154 PolarHBondContact O-N 3.01Å; I151-I156 HydrophobicContact CD1-CD1 4.15Å; I151-I156 HydrophobicContact CD1-CG1 4.19Å; I151-I156 HydrophobicContact CG1-CD1 3.86Å; I151-I156 HydrophobicContact CG1-CG1 3.98Å; I151-I214 HydrophobicContact CB-CD1 4.09Å; I151-I214 HydrophobicContact CB-CG2 4.14Å; I151-I214 HydrophobicContact CD1-CD1 4.19Å; I151-I214 HydrophobicContact CD1-CG2 4.28Å; I151-I214 HydrophobicContact CG1-CG2 4.3Å; I151-I214 HydrophobicContact CG2-CD1 4.28Å; I151-P217 HydrophobicContact CD1-CG 3.95Å
152	D	92.5	Very high	96.1	Very high	153 Å²	153	41 Å²	41	82%	0.818	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	40.7	-178.9	-53	-33.4	0	0	0	113.6	K154	D152-K154 PolarHBondContact O-N 2.7Å
153	G	91.3	Very high	96.3	Very high	58 Å²	58	41 Å²	41	60%	0.598	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	-6.1	-178.6	0	0	0	0	0	115.3	I151	I151-G153 PolarHBondContact O-N 3.08Å
154	K	93.8	Very high	96.4	Very high	94 Å²	94	37.3 Å²	37.3	41%	0.409	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.7	177.7	-63.4	-176.5	-176.7	178.7	0	111	S150 I151 D152 I156 N212 I214	S150-K154 CarbonylContact C-O 3.52Å; S150-K154 WeakPolarHBondContact CA-O 3.45Å; S150-K154 WeakPolarHBondContact CB-O 3.38Å; I151-K154 PolarHBondContact N-O 3.14Å; I151-K154 WeakPolarHBondContact O-CB 3.26Å; I151-K154 PolarHBondContact O-N 3.01Å; D152-K154 PolarHBondContact O-N 2.7Å; K154-I156 PolarHBondContact O-N 3.21Å; K154-N212 WeakPolarHBondContact CD-OD1 3.43Å; K154-N212 VanDerWaalsContact CE-OD1 3.24Å; K154-N212 WeakPolarHBondContact CE-OD1 3.34Å; K154-I214 HydrophobicContact CB-CB 4.41Å; K154-I214 HydrophobicContact CB-CG2 4.32Å
155	P	95.8	Very high	96.5	Very high	2 Å²	2	36 Å²	36	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	135.9	178.3	22.9	-31.2	0	0	0	111.6	Y136 P139 L142 N212 T213 I214	Y136-P155 HydrophobicContact CE2-CG 4.32Å; P139-P155 HydrophobicContact CG-CB 3.96Å; P139-P155 HydrophobicContact CG-CG 4.25Å; L142-P155 HydrophobicContact CD1-CB 4.03Å; P155-N212 WeakPolarHBondContact CD-O 3.2Å; P155-T213 HydrophobicContact CG-CG2 4.24Å; P155-T213 WeakPolarHBondContact O-CA 3.46Å; P155-I214 PolarHBondContact O-N 2.85Å
156	I	97.4	Very high	96.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-72.8	132.5	172.5	-69.2	164.7	0	0	0	108.8	Q131 V149 I151 K154 P158 C159 I214 P216	Q131-I156 PolarHBondContact NE2-O 3.34Å; V149-I156 PolarHBondContact O-N 3.13Å; I151-I156 HydrophobicContact CD1-CD1 4.15Å; I151-I156 HydrophobicContact CD1-CG1 4.19Å; I151-I156 HydrophobicContact CG1-CD1 3.86Å; I151-I156 HydrophobicContact CG1-CG1 3.98Å; K154-I156 PolarHBondContact O-N 3.21Å; I156-P158 WeakPolarHBondContact CG2-O 3.37Å; I156-P158 CarbonylContact O-C 3.5Å; I156-C159 WeakPolarHBondContact O-CA 3.34Å; I156-C159 WeakPolarHBondContact O-CB 3.46Å; I156-C159 PolarHBondContact O-N 3.03Å; I156-C159 VanDerWaalsContact O-N 3.15Å; I156-I214 CarbonylContact C-O 3.55Å; I156-I214 VanDerWaalsContact CA-O 3.29Å; I156-I214 WeakPolarHBondContact CA-O 3.43Å; I156-I214 HydrophobicContact CB-CG2 4.45Å; I156-I214 HydrophobicContact CG1-CG2 3.8Å; I156-P216 HydrophobicContact CG2-CB 4.03Å; I156-P216 HydrophobicContact CG2-CG 3.83Å
157	L	96.3	Very high	96.6	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	19%	0.189	C	C	.	.	S	Bend	trans	-128.1	115.2	180	-177.9	72.3	0	0	0	111.4	Q131 L205 L210 T213 I214 P216 I223 F231	Q131-L157 HydrophobicContact CG-CD1 3.51Å; L157-L205 HydrophobicContact CD1-CD2 4.22Å; L157-L205 HydrophobicContact CD2-CD1 4Å; L157-L205 HydrophobicContact CD2-CD2 4.18Å; L157-L210 HydrophobicContact CD2-CD1 3.78Å; L157-T213 HydrophobicContact CB-CG2 3.97Å; L157-T213 HydrophobicContact CD2-CG2 3.98Å; L157-T213 HydrophobicContact CG-CG2 4.47Å; L157-I214 PolarHBondContact N-O 3.2Å; L157-P216 WeakPolarHBondContact O-CD 3.41Å; L157-I223 HydrophobicContact CD2-CG2 4Å; L157-I223 HydrophobicContact CG-CG2 4.31Å; L157-F231 HydrophobicContact CD1-CE2 3.9Å; L157-F231 HydrophobicContact CD1-CZ 3.58Å; L157-F231 HydrophobicContact CG-CZ 4.06Å
158	P	96.9	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.169	C	C	.	.	S	Bend	cis	-72.3	142	-12	29	-35.3	0	0	0	113.1	L132 I156 A163 P216 W219 F231	L132-P158 HydrophobicContact CD2-CB 4.11Å; I156-P158 WeakPolarHBondContact CG2-O 3.37Å; I156-P158 CarbonylContact O-C 3.5Å; P158-A163 HydrophobicContact CB-CB 3.81Å; P158-A163 HydrophobicContact CG-CB 3.41Å; P158-A163 VanDerWaalsContact CG-CB 3.41Å; P158-P216 HydrophobicContact CG-CG 4.44Å; P158-P216 WeakPolarHBondContact O-CG 3.49Å; P158-W219 VanDerWaalsContact CD-CH2 3.46Å; P158-W219 HydrophobicContact CG-CH2 3.58Å; P158-W219 HydrophobicContact CG-CZ2 3.7Å; P158-W219 HydrophobicContact CG-CZ3 4.39Å; P158-F231 HydrophobicContact CB-CE1 3.8Å; P158-F231 HydrophobicContact CB-CZ 3.83Å; P158-F231 HydrophobicContact CG-CE1 3.98Å; P158-F231 HydrophobicContact CG-CZ 4.44Å
159	C	97.8	Very high	96.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	16%	0.156	C	C	.	.			trans	-76	159.8	178.7	78.9	0	0	0	0	112.7	N128 Q131 L142 C145 Y148 I156	N128-C159 VanDerWaalsContact CB-SG 3.54Å; Q131-C159 PolarHBondContact OE1-SG 3.22Å; L142-C159 HydrophobicContact CD1-CB 4.14Å; C145-C159 HydrophobicContact CB-CB 3.51Å; C145-C159 WeakPolarHBondContact CB-SG 3.3Å; C145-C159 WeakPolarHBondContact SG-CB 3.3Å; C145-C159 PolarHBondContact SG-O 3.11Å; C145-C159 CovalentContact SG-SG 2.04Å; C145-C159 PolarHBondContact SG-SG 2.97Å; Y148-C159 WeakPolarHBondContact O-CB 3.46Å; I156-C159 WeakPolarHBondContact O-CA 3.34Å; I156-C159 WeakPolarHBondContact O-CB 3.46Å; I156-C159 PolarHBondContact O-N 3.03Å; I156-C159 VanDerWaalsContact O-N 3.15Å
160	G	98.2	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	96.4	162	169.3	0	0	0	0	0	115.6	S126 C145 Y148 I162 A163 N164	S126-G160 CarbonylContact O-C 3.52Å; S126-G160 VanDerWaalsContact O-CA 3.27Å; S126-G160 WeakPolarHBondContact O-CA 3.44Å; S126-G160 WeakPolarHBondContact OG-CA 3.22Å; C145-G160 PolarHBondContact SG-N 2.87Å; C145-G160 VanDerWaalsContact SG-N 3.39Å; Y148-G160 PolarHBondContact O-N 2.9Å; G160-I162 VanDerWaalsContact C-N 3.3Å; G160-I162 PolarHBondContact O-N 3.32Å; G160-A163 PolarHBondContact O-N 2.85Å; G160-N164 WeakPolarHBondContact O-CB 3.5Å; G160-N164 PolarHBondContact O-N 3.25Å
161	A	98.2	Very high	96.7	Very high	16 Å²	16	27.4 Å²	27.4	13%	0.132	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-31.4	-172.9	0	0	0	0	0	112.8	Y123 S126 Y148 S165	Y123-A161 HydrophobicContact CD2-CB 4.09Å; Y123-A161 HydrophobicContact CE2-CB 4.37Å; S126-A161 PolarHBondContact O-N 3.01Å; S126-A161 PolarHBondContact OG-N 2.88Å; Y148-A161 VanDerWaalsContact CD2-CA 3.49Å; Y148-A161 HydrophobicContact CD2-CB 3.78Å; Y148-A161 HydrophobicContact CE2-CB 3.63Å; A161-S165 WeakPolarHBondContact O-CB 3.49Å; A161-S165 PolarHBondContact O-N 2.91Å; A161-S165 VanDerWaalsContact O-N 3.13Å; A161-S165 PolarHBondContact O-OG 3.03Å
162	I	98.3	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-56.2	178.9	-52.9	176.6	0	0	0	108.5	Y123 S126 K127 G160 S165 W240 M241 I243	Y123-I162 HydrophobicContact CD1-CG1 3.99Å; Y123-I162 HydrophobicContact CE1-CB 4.28Å; Y123-I162 HydrophobicContact CE1-CG1 3.79Å; Y123-I162 HydrophobicContact CE1-CG2 4.23Å; Y123-I162 WeakPolarHBondContact O-CG1 3.21Å; S126-I162 PolarHBondContact O-N 2.66Å; K127-I162 HydrophobicContact CB-CD1 4.18Å; K127-I162 HydrophobicContact CD-CD1 4.11Å; K127-I162 HydrophobicContact CG-CD1 4.09Å; G160-I162 VanDerWaalsContact C-N 3.3Å; G160-I162 PolarHBondContact O-N 3.32Å; I162-S165 PolarHBondContact O-N 3.26Å; I162-S165 PolarHBondContact O-OG 3.32Å; I162-S165 VanDerWaalsContact O-OG 3.11Å; I162-W240 PolarHBondContact O-NE1 3.43Å; I162-M241 HydrophobicContact CB-CE 4.13Å; I162-M241 HydrophobicContact CB-SD 3.95Å; I162-M241 HydrophobicContact CG2-CE 4.09Å; I162-M241 HydrophobicContact CG2-SD 3.48Å; I162-M241 WeakPolarHBondContact CG2-SD 3.22Å; I162-I243 HydrophobicContact CD1-CD1 3.81Å; I162-I243 HydrophobicContact CD1-CG1 4.03Å
163	A	98	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.8	-40.6	-176.7	0	0	0	0	0	111.9	P158 G160 S165 I166 W219 M241	P158-A163 HydrophobicContact CB-CB 3.81Å; P158-A163 HydrophobicContact CG-CB 3.41Å; P158-A163 VanDerWaalsContact CG-CB 3.41Å; G160-A163 PolarHBondContact O-N 2.85Å; A163-S165 PolarHBondContact O-N 3.42Å; A163-S165 VanDerWaalsContact O-N 3.14Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.86Å; A163-I166 VanDerWaalsContact O-N 3.11Å; A163-W219 HydrophobicContact CB-CZ2 4.38Å; A163-W219 PolarHBondContact O-NE1 3.21Å; A163-M241 HydrophobicContact CB-CE 4.35Å; A163-M241 HydrophobicContact CB-SD 3.78Å
164	N	98.2	Very high	97.3	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-57.2	-31.5	176.9	-174.6	58.2	0	0	0	113	Y148 G160 I166 P216 P217 N218	Y148-N164 HydrophobicContact CD1-CB 4.11Å; Y148-N164 HydrophobicContact CD2-CB 4.5Å; Y148-N164 HydrophobicContact CE1-CB 4.31Å; Y148-N164 WeakPolarHBondContact CE1-ND2 3.38Å; Y148-N164 HydrophobicContact CG-CB 4.19Å; G160-N164 WeakPolarHBondContact O-CB 3.5Å; G160-N164 PolarHBondContact O-N 3.25Å; N164-I166 PolarHBondContact O-N 2.83Å; N164-P216 HydrophobicContact CB-CB 4.17Å; N164-P216 WeakPolarHBondContact OD1-CB 3.31Å; N164-P217 VanDerWaalsContact OD1-CD 3.3Å; N164-P217 WeakPolarHBondContact OD1-CD 3.26Å; N164-N218 PolarHBondContact ND2-ND2 3.4Å; N164-N218 VanDerWaalsContact O-CB 3.32Å; N164-N218 WeakPolarHBondContact O-CB 3.35Å; N164-N218 PolarHBondContact OD1-N 2.95Å; N164-N218 VanDerWaalsContact OD1-N 3.07Å
165	S	97.7	Very high	97.5	Very high	23 Å²	23	16 Å²	16	16%	0.161	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	22	-179.6	58.9	0	0	0	0	114.4	Y123 A161 I162 A163 F167 W240 Y279	Y123-S165 VanDerWaalsContact CE2-OG 3.31Å; Y123-S165 WeakPolarHBondContact CE2-OG 3.42Å; Y123-S165 PolarHBondContact OH-OG 2.82Å; A161-S165 WeakPolarHBondContact O-CB 3.49Å; A161-S165 PolarHBondContact O-N 2.91Å; A161-S165 VanDerWaalsContact O-N 3.13Å; A161-S165 PolarHBondContact O-OG 3.03Å; I162-S165 PolarHBondContact O-N 3.26Å; I162-S165 PolarHBondContact O-OG 3.32Å; I162-S165 VanDerWaalsContact O-OG 3.11Å; A163-S165 PolarHBondContact O-N 3.42Å; A163-S165 VanDerWaalsContact O-N 3.14Å; S165-F167 PolarHBondContact O-N 2.73Å; S165-W240 WeakPolarHBondContact O-CZ2 3.18Å; S165-Y279 VanDerWaalsContact O-CE2 3.25Å; S165-Y279 WeakPolarHBondContact O-CE2 3.29Å; S165-Y279 PolarHBondContact O-OH 2.86Å
166	I	97.4	Very high	97.5	Very high	9 Å²	9	17.5 Å²	17.5	5%	0.046	10%	0.096	C	C	.	.			trans	-52	133.9	-179.3	-165.4	168.2	0	0	0	112.7	A163 N164 N168 W219 L237 W240 Y279	A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.86Å; A163-I166 VanDerWaalsContact O-N 3.11Å; N164-I166 PolarHBondContact O-N 2.83Å; I166-N168 PolarHBondContact O-N 2.92Å; I166-W219 HydrophobicContact CB-CZ2 4.47Å; I166-W219 HydrophobicContact CD1-CZ2 4.24Å; I166-W219 HydrophobicContact CG2-CD2 4.49Å; I166-W219 HydrophobicContact CG2-CZ2 4.15Å; I166-W219 VanDerWaalsContact CG2-NE1 3.25Å; I166-L237 HydrophobicContact CD1-CB 4.18Å; I166-L237 HydrophobicContact CD1-CD1 3.89Å; I166-W240 HydrophobicContact CB-CG 4.38Å; I166-W240 HydrophobicContact CG1-CB 4.11Å; I166-W240 HydrophobicContact CG1-CG 3.9Å; I166-Y279 WeakPolarHBondContact O-CE2 3.49Å
167	F	97.8	Very high	97.3	Very high	17 Å²	17	21.6 Å²	21.6	8%	0.075	11%	0.111	C	C	.	.			trans	-62.8	129.5	174	-175.9	-95.5	0	0	0	110.9	Y69 Y111 L113 S165 D169 F171 W240 Y279	Y69-F167 WeakPolarHBondContact OH-CZ 3.33Å; Y111-F167 AromaticContact CD1-CD1 3.66Å; Y111-F167 HydrophobicContact CD1-CD1 3.66Å; Y111-F167 AromaticContact CD1-CE1 3.62Å; Y111-F167 HydrophobicContact CD1-CE1 3.62Å; Y111-F167 HydrophobicContact CD1-CG 4.38Å; Y111-F167 HydrophobicContact CD1-CZ 4.31Å; Y111-F167 AromaticContact CD2-CD1 3.96Å; Y111-F167 HydrophobicContact CD2-CD1 3.96Å; Y111-F167 AromaticContact CD2-CD2 3.97Å; Y111-F167 HydrophobicContact CD2-CD2 3.97Å; Y111-F167 HydrophobicContact CD2-CE1 4.06Å; Y111-F167 HydrophobicContact CD2-CE2 4.07Å; Y111-F167 AromaticContact CD2-CG 3.89Å; Y111-F167 HydrophobicContact CD2-CG 3.89Å; Y111-F167 HydrophobicContact CD2-CZ 4.09Å; Y111-F167 AromaticContact CE1-CD1 3.68Å; Y111-F167 HydrophobicContact CE1-CD1 3.68Å; Y111-F167 HydrophobicContact CE1-CE1 4.14Å; Y111-F167 HydrophobicContact CE1-CG 4.25Å; Y111-F167 HydrophobicContact CE2-CB 3.88Å; Y111-F167 AromaticContact CE2-CD1 3.93Å; Y111-F167 HydrophobicContact CE2-CD1 3.93Å; Y111-F167 HydrophobicContact CE2-CD2 4.08Å; Y111-F167 HydrophobicContact CE2-CE1 4.49Å; Y111-F167 AromaticContact CE2-CG 3.68Å; Y111-F167 HydrophobicContact CE2-CG 3.68Å; Y111-F167 AromaticContact CG-CD1 3.83Å; Y111-F167 HydrophobicContact CG-CD1 3.83Å; Y111-F167 HydrophobicContact CG-CD2 4.48Å; Y111-F167 AromaticContact CG-CE1 3.61Å; Y111-F167 HydrophobicContact CG-CE1 3.61Å; Y111-F167 HydrophobicContact CG-CE2 4.28Å; Y111-F167 HydrophobicContact CG-CG 4.25Å; Y111-F167 AromaticContact CG-CZ 3.83Å; Y111-F167 HydrophobicContact CG-CZ 3.83Å; Y111-F167 AromaticContact CZ-CD1 3.81Å; Y111-F167 AromaticContact CZ-CG 3.88Å; L113-F167 HydrophobicContact CD1-CD2 4.36Å; L113-F167 HydrophobicContact CD2-CD2 4.42Å; L113-F167 HydrophobicContact CD2-CE2 4.26Å; S165-F167 PolarHBondContact O-N 2.73Å; F167-D169 HydrophobicContact CE1-CB 3.75Å; F167-D169 HydrophobicContact CE2-CB 4.2Å; F167-D169 HydrophobicContact CZ-CB 3.46Å; F167-D169 VanDerWaalsContact CZ-CB 3.46Å; F167-F171 AromaticContact CE1-CE2 4Å; F167-F171 HydrophobicContact CE1-CE2 4Å; F167-F171 HydrophobicContact CE1-CZ 4.15Å; F167-F171 HydrophobicContact CZ-CE2 4.27Å; F167-F171 AromaticContact CZ-CZ 3.96Å; F167-F171 HydrophobicContact CZ-CZ 3.96Å; F167-W240 HydrophobicContact CB-CE3 3.79Å; F167-W240 HydrophobicContact CB-CH2 4.4Å; F167-W240 HydrophobicContact CB-CZ3 3.72Å; F167-Y279 AromaticContact CD2-CD1 3.9Å; F167-Y279 HydrophobicContact CD2-CD1 3.9Å; F167-Y279 HydrophobicContact CD2-CD2 4.28Å; F167-Y279 HydrophobicContact CD2-CE1 4.32Å; F167-Y279 AromaticContact CD2-CG 3.87Å; F167-Y279 HydrophobicContact CD2-CG 3.87Å; F167-Y279 HydrophobicContact CE2-CD1 4.29Å; F167-Y279 HydrophobicContact CE2-CG 4.28Å
168	N	96.5	Very high	97	Very high	45 Å²	45	27.2 Å²	27.2	24%	0.241	15%	0.151	C	C	.	.			trans	-133.6	11.1	-171.3	68.3	-12.5	0	0	0	114.7	I166 F278 Y279	I166-N168 PolarHBondContact O-N 2.92Å; N168-F278 WeakPolarHBondContact O-CD2 3.31Å; N168-F278 WeakPolarHBondContact OD1-CB 3.45Å; N168-Y279 WeakPolarHBondContact OD1-CA 3.38Å; N168-Y279 WeakPolarHBondContact OD1-CB 3.38Å; N168-Y279 WeakPolarHBondContact OD1-CD2 3.24Å; N168-Y279 PolarHBondContact OD1-N 2.67Å
169	D	97.6	Very high	96.8	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.176	C	C	.	.			trans	-69.6	152.8	165.5	-59.4	-26.4	0	0	0	109.7	Y69 F167 F171 N276 F278 Y279 K288	Y69-D169 WeakPolarHBondContact CE2-OD2 3.33Å; Y69-D169 PolarHBondContact OH-OD2 3.33Å; F167-D169 HydrophobicContact CE1-CB 3.75Å; F167-D169 HydrophobicContact CE2-CB 4.2Å; F167-D169 HydrophobicContact CZ-CB 3.46Å; F167-D169 VanDerWaalsContact CZ-CB 3.46Å; D169-F171 HydrophobicContact CB-CZ 4.24Å; D169-N276 WeakPolarHBondContact CA-O 3.41Å; D169-N276 WeakPolarHBondContact CB-O 3.35Å; D169-F278 PolarHBondContact OD1-N 3.19Å; D169-Y279 WeakPolarHBondContact OD1-CB 3.5Å; D169-Y279 PolarHBondContact OD1-N 2.96Å; D169-K288 IonicContact OD1-NZ 2.94Å; D169-K288 PolarHBondContact OD1-NZ 2.9Å; D169-K288 WeakPolarHBondContact OD2-CD 3.15Å; D169-K288 WeakPolarHBondContact OD2-CE 3.4Å; D169-K288 IonicContact OD2-NZ 3.52Å; D169-K288 PolarHBondContact OD2-NZ 3.06Å
170	T	97.3	Very high	96.6	Very high	67 Å²	67	38.3 Å²	38.3	41%	0.411	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.9	174.6	56.9	0	0	0	0	110.9	I275 N276	T170-I275 WeakPolarHBondContact O-CA 3.36Å; T170-N276 PolarHBondContact N-O 2.94Å; T170-N276 PolarHBondContact O-N 3.2Å; T170-N276 VanDerWaalsContact OG1-CB 3.31Å; T170-N276 WeakPolarHBondContact OG1-CB 3.4Å; T170-N276 PolarHBondContact OG1-ND2 3.28Å
171	F	97.9	Very high	96.4	Very high	21 Å²	21	41 Å²	41	9%	0.092	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.8	-174	-49.6	-74.8	0	0	0	109.7	Y69 L109 F167 D169 I273 V274 I275 F290	Y69-F171 AromaticContact CE1-CE1 3.8Å; Y69-F171 HydrophobicContact CE1-CE1 3.8Å; Y69-F171 HydrophobicContact CE1-CZ 4.04Å; Y69-F171 HydrophobicContact CE2-CE1 4.26Å; Y69-F171 AromaticContact CZ-CE1 3.68Å; Y69-F171 AromaticContact CZ-CZ 3.78Å; Y69-F171 WeakPolarHBondContact OH-CZ 3.37Å; L109-F171 HydrophobicContact CD2-CD2 3.96Å; F167-F171 AromaticContact CE1-CE2 4Å; F167-F171 HydrophobicContact CE1-CE2 4Å; F167-F171 HydrophobicContact CE1-CZ 4.15Å; F167-F171 HydrophobicContact CZ-CE2 4.27Å; F167-F171 AromaticContact CZ-CZ 3.96Å; F167-F171 HydrophobicContact CZ-CZ 3.96Å; D169-F171 HydrophobicContact CB-CZ 4.24Å; F171-I273 HydrophobicContact CD1-CG2 4.49Å; F171-V274 WeakPolarHBondContact CA-O 3.36Å; F171-I275 HydrophobicContact CD1-CG1 4.06Å; F171-I275 HydrophobicContact CD1-CG2 4.14Å; F171-I275 HydrophobicContact CE1-CG1 4.4Å; F171-I275 HydrophobicContact CE1-CG2 3.93Å; F171-F290 HydrophobicContact CB-CD2 4.17Å; F171-F290 HydrophobicContact CB-CE2 3.74Å; F171-F290 AromaticContact CD1-CD2 3.49Å; F171-F290 HydrophobicContact CD1-CD2 3.49Å; F171-F290 VanDerWaalsContact CD1-CD2 3.49Å; F171-F290 AromaticContact CD1-CE2 3.96Å; F171-F290 HydrophobicContact CD1-CE2 3.96Å; F171-F290 HydrophobicContact CD2-CD2 4.14Å; F171-F290 HydrophobicContact CD2-CE2 4.28Å; F171-F290 HydrophobicContact CE1-CB 4.46Å; F171-F290 AromaticContact CE1-CD2 3.84Å; F171-F290 HydrophobicContact CE1-CD2 3.84Å; F171-F290 HydrophobicContact CE2-CD2 4.44Å; F171-F290 AromaticContact CG-CD2 3.65Å; F171-F290 HydrophobicContact CG-CD2 3.65Å; F171-F290 AromaticContact CG-CE2 3.73Å; F171-F290 HydrophobicContact CG-CE2 3.73Å; F171-F290 HydrophobicContact CZ-CD2 4.3Å
172	I	97.7	Very high	96.3	Very high	84 Å²	84	45.9 Å²	45.9	43%	0.431	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.8	167.4	-56.8	170.6	0	0	0	106.4	I273 V274	I172-I273 WeakPolarHBondContact O-CA 3.31Å; I172-V274 HydrophobicContact CB-CB 4.22Å; I172-V274 PolarHBondContact N-O 3.29Å; I172-V274 PolarHBondContact O-N 3.35Å
173	L	97.5	Very high	96.2	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.7	-177.8	-176.7	69.7	0	0	0	109.1	V185 L266 Y271 I273 F290 L292	L173-V185 HydrophobicContact CB-CB 4.06Å; L173-V185 HydrophobicContact CB-CG2 4.25Å; L173-V185 HydrophobicContact CD2-CB 3.91Å; L173-V185 HydrophobicContact CD2-CG1 4.01Å; L173-V185 HydrophobicContact CD2-CG2 3.78Å; L173-V185 HydrophobicContact CG-CB 4Å; L173-V185 HydrophobicContact CG-CG2 3.71Å; L173-V185 WeakPolarHBondContact O-CB 3.18Å; L173-V185 PolarHBondContact O-N 3.06Å; L173-L266 HydrophobicContact CD2-CD1 4.31Å; L173-Y271 HydrophobicContact CD1-CD1 4.05Å; L173-Y271 HydrophobicContact CD1-CG 4.33Å; L173-Y271 HydrophobicContact CD2-CD1 4.28Å; L173-Y271 HydrophobicContact CG-CD1 4.06Å; L173-I273 HydrophobicContact CD1-CG1 3.72Å; L173-F290 HydrophobicContact CD1-CZ 4.4Å; L173-L292 HydrophobicContact CD1-CD1 4.37Å; L173-L292 HydrophobicContact CD2-CD1 3.87Å; L173-L292 HydrophobicContact CD2-CD2 4.16Å
174	T	97.9	Very high	96.1	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.043	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.7	-178.8	-55.7	0	0	0	0	109.2	K182 V183 N184 Y271 E272	T174-K182 HydrophobicContact CG2-CB 3.71Å; T174-K182 HydrophobicContact CG2-CD 4.23Å; T174-K182 HydrophobicContact CG2-CG 4.14Å; T174-V183 CarbonylContact C-O 3.46Å; T174-V183 WeakPolarHBondContact CA-O 3.43Å; T174-N184 PolarHBondContact OG1-OD1 2.83Å; T174-Y271 CarbonylContact O-C 3.52Å; T174-Y271 VanDerWaalsContact O-CA 3.27Å; T174-Y271 WeakPolarHBondContact O-CA 3.44Å; T174-E272 PolarHBondContact N-O 2.69Å; T174-E272 PolarHBondContact O-N 3.03Å
175	Y	97.5	Very high	96.1	Very high	23 Å²	23	52.6 Å²	52.6	9%	0.09	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.1	172.4	178.6	-130.1	0	0	0	110.1	R177 K182 V183 F262 P267 S268 Y271	Y175-R177 HydrophobicContact CD1-CG 3.9Å; Y175-R177 HydrophobicContact CE1-CB 4.41Å; Y175-R177 HydrophobicContact CE1-CG 3.69Å; Y175-K182 CarbonylContact O-C 3.48Å; Y175-K182 WeakPolarHBondContact O-CA 3.44Å; Y175-V183 PolarHBondContact N-O 3.13Å; Y175-V183 PolarHBondContact O-N 3.44Å; Y175-F262 HydrophobicContact CD1-CE1 4.23Å; Y175-F262 HydrophobicContact CD1-CZ 4.46Å; Y175-F262 HydrophobicContact CG-CE1 4.22Å; Y175-P267 HydrophobicContact CD1-CG 4.36Å; Y175-P267 HydrophobicContact CE1-CG 3.83Å; Y175-P267 HydrophobicContact CE2-CG 4.09Å; Y175-S268 PolarHBondContact OH-O 3.1Å; Y175-Y271 HydrophobicContact CD2-CD1 4.08Å; Y175-Y271 HydrophobicContact CD2-CD2 4.27Å; Y175-Y271 AromaticContact CD2-CE1 3.58Å; Y175-Y271 HydrophobicContact CD2-CE1 3.58Å; Y175-Y271 AromaticContact CD2-CE2 3.76Å; Y175-Y271 HydrophobicContact CD2-CE2 3.76Å; Y175-Y271 HydrophobicContact CD2-CG 4.4Å; Y175-Y271 AromaticContact CD2-CZ 3.38Å; Y175-Y271 HydrophobicContact CE2-CE2 4.11Å; Y175-Y271 AromaticContact CE2-CZ 3.96Å; Y175-Y271 HydrophobicContact CG-CD1 4.49Å; Y175-Y271 AromaticContact CG-CE1 3.93Å; Y175-Y271 HydrophobicContact CG-CE1 3.93Å
176	I	96.6	Very high	96	Very high	32 Å²	32	55.6 Å²	55.6	16%	0.164	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.5	174	-50.9	178.5	0	0	0	107.1	K182 T270	I176-K182 HydrophobicContact CG1-CG 4.4Å; I176-T270 HydrophobicContact CD1-CG2 4.14Å; I176-T270 PolarHBondContact N-O 3.39Å
177	R	92.7	Very high	96	Very high	90 Å²	90	57.7 Å²	57.7	34%	0.34	31%	0.313	S	S	.	.			trans	-66.4	164.7	177.1	-67.4	-163.3	-171.7	136.8	-9.1	111	Y175 D179 N180 T181 V183 D261	Y175-R177 HydrophobicContact CD1-CG 3.9Å; Y175-R177 HydrophobicContact CE1-CB 4.41Å; Y175-R177 HydrophobicContact CE1-CG 3.69Å; R177-D179 WeakPolarHBondContact CB-OD1 3.13Å; R177-D179 PolarHBondContact O-N 3.24Å; R177-D179 VanDerWaalsContact O-N 3.16Å; R177-N180 WeakPolarHBondContact O-CA 3.24Å; R177-N180 PolarHBondContact O-N 3.32Å; R177-T181 WeakPolarHBondContact CB-OG1 3.4Å; R177-T181 WeakPolarHBondContact CD-OG1 3.22Å; R177-T181 PolarHBondContact N-O 3.26Å; R177-V183 HydrophobicContact CG-CG2 4.1Å; R177-V183 VanDerWaalsContact CZ-CG2 3.43Å; R177-D261 IonicContact CZ-OD1 3.73Å; R177-D261 IonicContact CZ-OD2 3.55Å; R177-D261 IonicContact NE-OD1 2.78Å; R177-D261 IonicContact NE-OD2 3.79Å; R177-D261 PolarHBondContact NE-OD2 2.87Å; R177-D261 IonicContact NH2-OD1 3.94Å; R177-D261 PolarHBondContact NH2-OD1 2.83Å; R177-D261 IonicContact NH2-OD2 2.67Å; R177-D261 PolarHBondContact NH2-OD2 3.4Å
178	S	89.5	Confident	95.9	Very high	122 Å²	122	59.4 Å²	59.4	85%	0.853	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.5	178.7	-52.7	0	0	0	0	114.2	N180	S178-N180 VanDerWaalsContact C-N 3.25Å; S178-N180 PolarHBondContact O-N 2.9Å
179	D	93.3	Very high	95.9	Very high	100 Å²	100	61.4 Å²	61.4	54%	0.535	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	9.6	174.3	65.7	-3.5	0	0	0	113.3	R177 T181	R177-D179 WeakPolarHBondContact CB-OD1 3.13Å; R177-D179 PolarHBondContact O-N 3.24Å; R177-D179 VanDerWaalsContact O-N 3.16Å; D179-T181 PolarHBondContact O-N 3.38Å; D179-T181 VanDerWaalsContact OD1-CB 3.28Å; D179-T181 WeakPolarHBondContact OD1-CB 3.2Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.43Å; D179-T181 PolarHBondContact OD1-N 3.44Å; D179-T181 PolarHBondContact OD1-OG1 3.32Å; D179-T181 WeakPolarHBondContact OD2-CG2 3.49Å; D179-T181 PolarHBondContact OD2-OG1 2.63Å
180	N	92	Very high	95.8	Very high	135 Å²	135	68.9 Å²	68.9	72%	0.722	37%	0.371	S	S	*	.	S	Bend	trans	64.7	12.8	-172.7	-61	-56.8	0	0	0	115.3	R177 S178	R177-N180 WeakPolarHBondContact O-CA 3.24Å; R177-N180 PolarHBondContact O-N 3.32Å; S178-N180 VanDerWaalsContact C-N 3.25Å; S178-N180 PolarHBondContact O-N 2.9Å
181	T	94.8	Very high	95.7	Very high	55 Å²	55	68.1 Å²	68.1	34%	0.337	38%	0.376	S	S	.	.			trans	-73.4	133.2	171.6	62	0	0	0	0	110.8	R177 D179	R177-T181 WeakPolarHBondContact CB-OG1 3.4Å; R177-T181 WeakPolarHBondContact CD-OG1 3.22Å; R177-T181 PolarHBondContact N-O 3.26Å; D179-T181 PolarHBondContact O-N 3.38Å; D179-T181 VanDerWaalsContact OD1-CB 3.28Å; D179-T181 WeakPolarHBondContact OD1-CB 3.2Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.43Å; D179-T181 PolarHBondContact OD1-N 3.44Å; D179-T181 PolarHBondContact OD1-OG1 3.32Å; D179-T181 WeakPolarHBondContact OD2-CG2 3.49Å; D179-T181 PolarHBondContact OD2-OG1 2.63Å
182	K	96.1	Very high	95.7	Very high	120 Å²	120	67.6 Å²	67.6	52%	0.522	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.5	177.7	-73.1	-167.6	172	-163.9	0	110.1	T174 Y175 I176 E272	T174-K182 HydrophobicContact CG2-CB 3.71Å; T174-K182 HydrophobicContact CG2-CD 4.23Å; T174-K182 HydrophobicContact CG2-CG 4.14Å; Y175-K182 CarbonylContact O-C 3.48Å; Y175-K182 WeakPolarHBondContact O-CA 3.44Å; I176-K182 HydrophobicContact CG1-CG 4.4Å; K182-E272 IonicContact NZ-OE1 3.84Å; K182-E272 PolarHBondContact NZ-OE1 3.3Å; K182-E272 IonicContact NZ-OE2 2.87Å; K182-E272 PolarHBondContact NZ-OE2 3.45Å
183	V	96.2	Very high	95.7	Very high	30 Å²	30	64.1 Å²	64.1	18%	0.182	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.9	179.3	-177.2	0	0	0	0	109.6	T174 Y175 R177 V185 F262	T174-V183 CarbonylContact C-O 3.46Å; T174-V183 WeakPolarHBondContact CA-O 3.43Å; Y175-V183 PolarHBondContact N-O 3.13Å; Y175-V183 PolarHBondContact O-N 3.44Å; R177-V183 HydrophobicContact CG-CG2 4.1Å; R177-V183 VanDerWaalsContact CZ-CG2 3.43Å; V183-V185 PolarHBondContact O-N 3.33Å; V183-F262 HydrophobicContact CG1-CE2 4.14Å; V183-F262 HydrophobicContact CG1-CZ 4.13Å
184	N	96.5	Very high	95.6	Very high	106 Å²	106	71.4 Å²	71.4	57%	0.567	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.1	177.1	-70.6	-13.7	0	0	0	110.4	T174 T186	T174-N184 PolarHBondContact OG1-OD1 2.83Å; N184-T186 PolarHBondContact O-N 2.91Å
185	V	97.1	Very high	95.6	Very high	9 Å²	9	75.6 Å²	75.6	6%	0.055	41%	0.412	C	S	.	.			trans	-75.6	108.5	171.5	-174.8	0	0	0	0	107.9	L173 V183 T187 V256 F262 L266 Y271	L173-V185 HydrophobicContact CB-CB 4.06Å; L173-V185 HydrophobicContact CB-CG2 4.25Å; L173-V185 HydrophobicContact CD2-CB 3.91Å; L173-V185 HydrophobicContact CD2-CG1 4.01Å; L173-V185 HydrophobicContact CD2-CG2 3.78Å; L173-V185 HydrophobicContact CG-CB 4Å; L173-V185 HydrophobicContact CG-CG2 3.71Å; L173-V185 WeakPolarHBondContact O-CB 3.18Å; L173-V185 PolarHBondContact O-N 3.06Å; V183-V185 PolarHBondContact O-N 3.33Å; V185-T187 PolarHBondContact O-N 3.44Å; V185-V256 HydrophobicContact CG1-CG1 3.77Å; V185-V256 HydrophobicContact CG1-CG2 4.19Å; V185-F262 HydrophobicContact CB-CE2 4.29Å; V185-F262 HydrophobicContact CB-CZ 4.21Å; V185-F262 HydrophobicContact CG1-CD2 4.4Å; V185-F262 HydrophobicContact CG1-CE2 4.36Å; V185-F262 HydrophobicContact CG1-CZ 4.45Å; V185-F262 HydrophobicContact CG2-CE1 3.85Å; V185-F262 HydrophobicContact CG2-CE2 4.19Å; V185-F262 HydrophobicContact CG2-CZ 3.61Å; V185-L266 HydrophobicContact CG1-CD2 3.89Å; V185-L266 HydrophobicContact CG2-CD2 4.46Å; V185-Y271 HydrophobicContact CG2-CD1 4.1Å; V185-Y271 HydrophobicContact CG2-CE1 3.94Å
186	T	96.7	Very high	95.5	Very high	86 Å²	86	77.3 Å²	77.3	53%	0.528	43%	0.428	S	S	.	.			trans	-71.9	126.3	179.1	-59.2	0	0	0	0	109.6	N184 V257	N184-T186 PolarHBondContact O-N 2.91Å; T186-V257 HydrophobicContact CG2-CB 4.19Å; T186-V257 HydrophobicContact CG2-CG2 3.93Å; T186-V257 PolarHBondContact O-N 2.87Å
187	T	97	Very high	95.5	Very high	53 Å²	53	76.5 Å²	76.5	33%	0.325	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.4	176.7	64.7	0	0	0	0	110.8	L109 V185 A254 I255 V256	L109-T187 HydrophobicContact CD1-CG2 4.43Å; V185-T187 PolarHBondContact O-N 3.44Å; T187-A254 HydrophobicContact CG2-CB 4.47Å; T187-I255 CarbonylContact C-O 3.6Å; T187-I255 VanDerWaalsContact CA-O 3.26Å; T187-I255 WeakPolarHBondContact CA-O 3.37Å; T187-V256 HydrophobicContact CG2-CG2 4.38Å
188	T	96.5	Very high	95.7	Very high	53 Å²	53	73.5 Å²	73.5	33%	0.325	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.1	174.5	-173.2	0	0	0	0	110.7	K190 A254 I255 V257	T188-K190 VanDerWaalsContact C-N 3.35Å; T188-K190 PolarHBondContact OG1-N 3.35Å; T188-A254 CarbonylContact O-C 3.59Å; T188-A254 VanDerWaalsContact O-CA 3.29Å; T188-A254 WeakPolarHBondContact O-CA 3.18Å; T188-A254 WeakPolarHBondContact O-CB 3.29Å; T188-I255 HydrophobicContact CG2-CB 4.09Å; T188-I255 PolarHBondContact N-O 2.88Å; T188-I255 PolarHBondContact O-N 2.59Å; T188-V257 HydrophobicContact CG2-CG2 4.19Å
189	T	95.1	Very high	95.9	Very high	87 Å²	87	73.1 Å²	73.1	53%	0.534	40%	0.404	S	S	.	.			trans	-93.1	3.3	172.5	56	0	0	0	0	112.7	I192	T189-I192 WeakPolarHBondContact O-CD1 3.17Å; T189-I192 VanDerWaalsContact O-CG1 3.32Å; T189-I192 WeakPolarHBondContact O-CG1 3.49Å
190	K	95.2	Very high	95.9	Very high	161 Å²	161	78.4 Å²	78.4	70%	0.7	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	138.5	176.3	-171.2	177.9	-179.2	-179.6	0	110.4	T188 E235	T188-K190 VanDerWaalsContact C-N 3.35Å; T188-K190 PolarHBondContact OG1-N 3.35Å; K190-E235 WeakPolarHBondContact CA-OE1 3.48Å
191	G	95.7	Very high	96	Very high	50 Å²	50	75.3 Å²	75.3	52%	0.515	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	19.8	-179.8	0	0	0	0	0	114.5	E235	G191-E235 WeakPolarHBondContact CA-OE2 3.32Å; G191-E235 PolarHBondContact N-OE1 3.18Å; G191-E235 PolarHBondContact N-OE2 3.15Å
192	I	97.6	Very high	96.1	Very high	11 Å²	11	72.9 Å²	72.9	6%	0.056	38%	0.381	C	S	.	.			trans	-87.5	-25.1	174.3	66.1	179.4	0	0	0	112.7	T189 E235 V239 L252 I255	T189-I192 WeakPolarHBondContact O-CD1 3.17Å; T189-I192 VanDerWaalsContact O-CG1 3.32Å; T189-I192 WeakPolarHBondContact O-CG1 3.49Å; I192-E235 HydrophobicContact CD1-CB 4.02Å; I192-E235 HydrophobicContact CG1-CB 3.56Å; I192-E235 PolarHBondContact N-OE2 2.98Å; I192-V239 HydrophobicContact CB-CG2 4.33Å; I192-V239 HydrophobicContact CD1-CG2 4.23Å; I192-V239 HydrophobicContact CG1-CG2 3.87Å; I192-V239 WeakPolarHBondContact O-CG2 3.48Å; I192-L252 HydrophobicContact CB-CB 4.44Å; I192-L252 HydrophobicContact CB-CD2 3.71Å; I192-L252 HydrophobicContact CB-CG 3.83Å; I192-L252 HydrophobicContact CG2-CD2 3.87Å; I192-L252 HydrophobicContact CG2-CG 3.83Å; I192-I255 HydrophobicContact CG2-CD1 4.3Å; I192-I255 HydrophobicContact CG2-CG1 4.02Å
193	A	97.6	Very high	95.9	Very high	11 Å²	11	67.9 Å²	67.9	9%	0.091	36%	0.363	C	S	.	.	S	Bend	trans	-88.1	158.4	176.6	0	0	0	0	0	111.5	V198 E235 I238 V239	A193-V198 HydrophobicContact CB-CG2 3.7Å; A193-E235 HydrophobicContact CB-CB 3.91Å; A193-E235 HydrophobicContact CB-CG 3.94Å; A193-E235 PolarHBondContact N-OE2 3.45Å; A193-I238 HydrophobicContact CB-CB 3.93Å; A193-I238 HydrophobicContact CB-CD1 4.41Å; A193-I238 HydrophobicContact CB-CG2 3.63Å; A193-V239 HydrophobicContact CB-CG2 4.22Å
194	W	96.8	Very high	95.7	Very high	159 Å²	159	69.8 Å²	69.8	60%	0.602	38%	0.375	S	S	*	.			trans	-70.8	136.5	175.5	-79.3	28.6	0	0	0	110.4	S196 D197 V198 R242	W194-S196 PolarHBondContact O-N 3.19Å; W194-S196 VanDerWaalsContact O-N 3.16Å; W194-D197 HydrophobicContact CB-CB 4.44Å; W194-D197 PolarHBondContact O-N 3.21Å; W194-V198 PolarHBondContact O-N 2.94Å; W194-V198 VanDerWaalsContact O-N 3.11Å; W194-R242 VanDerWaalsContact CD2-CZ 3.45Å; W194-R242 VanDerWaalsContact CE3-NH1 3.31Å; W194-R242 VanDerWaalsContact CG-NH2 3.27Å
195	P	96.8	Very high	95.5	Very high	94 Å²	94	65.7 Å²	65.7	61%	0.61	35%	0.353	S	S	*	.	H	α-helix	trans	-53	-40.2	177.8	-28.1	34.8	0	0	0	112.6	D197 V198 D199	P195-D197 VanDerWaalsContact C-N 3.3Å; P195-D197 PolarHBondContact O-N 2.94Å; P195-V198 PolarHBondContact O-N 3.17Å; P195-D199 VanDerWaalsContact O-CB 3.28Å; P195-D199 WeakPolarHBondContact O-CB 3.1Å; P195-D199 PolarHBondContact O-N 3.28Å
196	S	96.7	Very high	94.9	Very high	60 Å²	60	69.2 Å²	69.2	42%	0.42	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-34.8	176.7	62.3	0	0	0	0	114	W194 R200	W194-S196 PolarHBondContact O-N 3.19Å; W194-S196 VanDerWaalsContact O-N 3.16Å; S196-R200 WeakPolarHBondContact O-CB 3.13Å; S196-R200 PolarHBondContact O-N 2.82Å; S196-R200 VanDerWaalsContact O-N 3.12Å
197	D	96.5	Very high	94.5	Very high	15 Å²	15	68.2 Å²	68.2	8%	0.08	37%	0.372	C	S	.	.	H	α-helix	trans	-74.3	-44.1	178.7	-73.1	0.9	0	0	0	109.9	W194 P195 K201 F202 I238 R242	W194-D197 HydrophobicContact CB-CB 4.44Å; W194-D197 PolarHBondContact O-N 3.21Å; P195-D197 VanDerWaalsContact C-N 3.3Å; P195-D197 PolarHBondContact O-N 2.94Å; D197-K201 WeakPolarHBondContact O-CA 3.27Å; D197-K201 WeakPolarHBondContact O-CB 3.34Å; D197-K201 PolarHBondContact O-N 2.69Å; D197-F202 HydrophobicContact CB-CD2 4.38Å; D197-F202 HydrophobicContact CB-CE2 4.45Å; D197-F202 PolarHBondContact O-N 3.2Å; D197-F202 VanDerWaalsContact O-N 3.08Å; D197-I238 HydrophobicContact CB-CG2 3.56Å; D197-R242 IonicContact OD1-NH2 3.05Å; D197-R242 PolarHBondContact OD1-NH2 3.45Å; D197-R242 VanDerWaalsContact OD1-NH2 3.13Å; D197-R242 IonicContact OD2-CZ 3.83Å; D197-R242 VanDerWaalsContact OD2-CZ 3.32Å; D197-R242 IonicContact OD2-NE 3.27Å; D197-R242 PolarHBondContact OD2-NE 2.82Å; D197-R242 VanDerWaalsContact OD2-NE 3.14Å; D197-R242 IonicContact OD2-NH2 3.85Å; D197-R242 PolarHBondContact OD2-NH2 3.18Å
198	V	95.2	Very high	93.9	Very high	27 Å²	27	71.2 Å²	71.2	16%	0.164	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-43.8	177.6	177.3	0	0	0	0	111.5	A193 W194 P195 I238	A193-V198 HydrophobicContact CB-CG2 3.7Å; W194-V198 PolarHBondContact O-N 2.94Å; W194-V198 VanDerWaalsContact O-N 3.11Å; P195-V198 PolarHBondContact O-N 3.17Å; V198-I238 HydrophobicContact CG2-CD1 3.86Å
199	D	94.1	Very high	93.4	Very high	113 Å²	113	68.8 Å²	68.8	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-83.6	-30.6	-172.1	-66.4	-25.3	0	0	0	113.3	P195	P195-D199 VanDerWaalsContact O-CB 3.28Å; P195-D199 WeakPolarHBondContact O-CB 3.1Å; P195-D199 PolarHBondContact O-N 3.28Å
200	R	93.9	Very high	93	Very high	212 Å²	212	66.9 Å²	66.9	80%	0.8	36%	0.358	S	S	*	.	H	α-helix	trans	-122.3	-23.2	-169.8	-56.1	-165.5	-179.6	-172.1	0.7	116	L133 S196	L133-R200 WeakPolarHBondContact CD2-O 3.05Å; S196-R200 WeakPolarHBondContact O-CB 3.13Å; S196-R200 PolarHBondContact O-N 2.82Å; S196-R200 VanDerWaalsContact O-N 3.12Å
201	K	94.5	Very high	92.6	Very high	70 Å²	70	64 Å²	64	30%	0.304	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-28	-168.8	-169.2	177.3	177.3	-177.3	0	113.4	D197	D197-K201 WeakPolarHBondContact O-CA 3.27Å; D197-K201 WeakPolarHBondContact O-CB 3.34Å; D197-K201 PolarHBondContact O-N 2.69Å
202	F	95.7	Very high	92.3	Very high	3 Å²	3	66.4 Å²	66.4	1%	0.013	35%	0.351	C	S	.	.	S	Bend	trans	-114.7	110.1	178.1	-69.9	-97.9	0	0	0	109.6	L132 D197 F231 I238 M241	L132-F202 HydrophobicContact CB-CD1 4.35Å; L132-F202 HydrophobicContact CB-CE1 4.35Å; L132-F202 HydrophobicContact CD1-CE1 4.19Å; L132-F202 HydrophobicContact CD1-CZ 4.38Å; L132-F202 HydrophobicContact CD2-CD1 4.39Å; L132-F202 HydrophobicContact CD2-CE1 3.94Å; L132-F202 HydrophobicContact CG-CE1 4.38Å; L132-F202 WeakPolarHBondContact O-CA 3.22Å; D197-F202 HydrophobicContact CB-CD2 4.38Å; D197-F202 HydrophobicContact CB-CE2 4.45Å; D197-F202 PolarHBondContact O-N 3.2Å; D197-F202 VanDerWaalsContact O-N 3.08Å; F202-F231 HydrophobicContact CB-CB 4.36Å; F202-F231 HydrophobicContact CD1-CB 4.22Å; F202-I238 HydrophobicContact CB-CD1 4Å; F202-I238 HydrophobicContact CB-CG1 4.18Å; F202-I238 HydrophobicContact CD1-CG1 3.85Å; F202-I238 HydrophobicContact CD2-CB 4.27Å; F202-I238 HydrophobicContact CD2-CD1 4.05Å; F202-I238 HydrophobicContact CD2-CG1 3.66Å; F202-I238 HydrophobicContact CD2-CG2 3.9Å; F202-I238 HydrophobicContact CE1-CG1 4.1Å; F202-I238 HydrophobicContact CE2-CB 4.13Å; F202-I238 HydrophobicContact CE2-CG1 3.95Å; F202-I238 HydrophobicContact CE2-CG2 3.7Å; F202-I238 HydrophobicContact CG-CD1 3.97Å; F202-I238 HydrophobicContact CG-CG1 3.62Å; F202-I238 HydrophobicContact CZ-CB 4.36Å; F202-I238 HydrophobicContact CZ-CG1 4.17Å; F202-I238 HydrophobicContact CZ-CG2 4.35Å; F202-M241 HydrophobicContact CE1-CB 4.33Å; F202-M241 HydrophobicContact CE1-CG 4.12Å; F202-M241 HydrophobicContact CZ-CB 3.72Å; F202-M241 HydrophobicContact CZ-CG 4.03Å
203	G	93.1	Very high	92.1	Very high	15 Å²	15	67.2 Å²	67.2	16%	0.155	36%	0.357	C	S	.	.			trans	-88.3	-177.9	-175.6	0	0	0	0	0	113.3	L132 L133 K232	L132-G203 PolarHBondContact O-N 3.25Å; L133-G203 WeakPolarHBondContact O-CA 3.45Å; G203-K232 PolarHBondContact O-N 3.05Å
204	T	92.5	Very high	92	Very high	71 Å²	71	69.1 Å²	69.1	44%	0.436	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-95	123.9	173.7	-68.8	0	0	0	0	109.1	N206 N229 K232	T204-N206 PolarHBondContact O-N 3.29Å; T204-N229 WeakPolarHBondContact CG2-OD1 3.46Å; T204-N229 PolarHBondContact OG1-ND2 3.44Å; T204-N229 PolarHBondContact OG1-OD1 3.19Å; T204-K232 WeakPolarHBondContact OG1-CD 3.38Å
205	L	90.7	Very high	92	Very high	20 Å²	20	64.8 Å²	64.8	11%	0.105	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-68.6	119.2	175.4	-78.1	164.6	0	0	0	110.2	L157 A209 L210 I223 P230 F231	L157-L205 HydrophobicContact CD1-CD2 4.22Å; L157-L205 HydrophobicContact CD2-CD1 4Å; L157-L205 HydrophobicContact CD2-CD2 4.18Å; L205-A209 HydrophobicContact CD2-CB 3.64Å; L205-L210 HydrophobicContact CD1-CD1 4.32Å; L205-I223 HydrophobicContact CD1-CG2 4.14Å; L205-P230 HydrophobicContact CB-CB 4.4Å; L205-P230 HydrophobicContact CD1-CB 3.47Å; L205-P230 VanDerWaalsContact CD1-CB 3.47Å; L205-P230 HydrophobicContact CG-CB 4.4Å; L205-F231 HydrophobicContact CD1-CD1 4.37Å; L205-F231 HydrophobicContact CD1-CD2 3.61Å; L205-F231 HydrophobicContact CD1-CE1 4.34Å; L205-F231 HydrophobicContact CD1-CE2 3.55Å; L205-F231 HydrophobicContact CD1-CG 4.04Å; L205-F231 HydrophobicContact CD1-CZ 3.94Å; L205-F231 HydrophobicContact CD2-CD2 4.03Å; L205-F231 HydrophobicContact CD2-CE2 3.7Å; L205-F231 HydrophobicContact CG-CD2 3.64Å; L205-F231 HydrophobicContact CG-CE2 3.75Å; L205-F231 HydrophobicContact CG-CG 4.41Å
206	N	86.1	Confident	92	Very high	83 Å²	83	60.3 Å²	60.3	44%	0.444	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-80.4	166.7	169.4	68.3	22	0	0	0	110.6	T204 N208 A209 L210	T204-N206 PolarHBondContact O-N 3.29Å; N206-N208 PolarHBondContact O-N 2.9Å; N206-N208 PolarHBondContact OD1-N 3.21Å; N206-A209 PolarHBondContact O-N 3.05Å; N206-A209 VanDerWaalsContact O-N 3.15Å; N206-A209 VanDerWaalsContact OD1-CB 3.29Å; N206-A209 WeakPolarHBondContact OD1-CB 3.45Å; N206-A209 PolarHBondContact OD1-N 2.93Å; N206-L210 PolarHBondContact O-N 3.3Å
207	A	86.7	Confident	92	Very high	65 Å²	65	60.3 Å²	60.3	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-56.2	-36.3	-179.4	0	0	0	0	0	112.5	L210 N211	A207-L210 PolarHBondContact O-N 3.37Å; A207-N211 VanDerWaalsContact O-CB 3.3Å; A207-N211 WeakPolarHBondContact O-CB 3.46Å; A207-N211 PolarHBondContact O-N 3.16Å; A207-N211 PolarHBondContact O-ND2 3.08Å; A207-N211 PolarHBondContact O-OD1 3.39Å
208	N	85.3	Confident	92	Very high	115 Å²	115	64.6 Å²	64.6	62%	0.615	34%	0.343	S	S	*	.	H	α-helix	trans	-66.5	-41.2	179.2	-65.3	-14.6	0	0	0	112.6	Y136 N206 L210	Y136-N208 WeakPolarHBondContact CD2-O 3.43Å; N206-N208 PolarHBondContact O-N 2.9Å; N206-N208 PolarHBondContact OD1-N 3.21Å; N208-L210 PolarHBondContact O-N 2.66Å
209	A	85.4	Confident	92	Very high	3 Å²	3	63.4 Å²	63.4	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-69.6	-23.1	177.6	0	0	0	0	0	112.6	G134 L205 N206 T213	G134-A209 VanDerWaalsContact O-CB 3.26Å; G134-A209 WeakPolarHBondContact O-CB 3.36Å; L205-A209 HydrophobicContact CD2-CB 3.64Å; N206-A209 PolarHBondContact O-N 3.05Å; N206-A209 VanDerWaalsContact O-N 3.15Å; N206-A209 VanDerWaalsContact OD1-CB 3.29Å; N206-A209 WeakPolarHBondContact OD1-CB 3.45Å; N206-A209 PolarHBondContact OD1-N 2.93Å; A209-T213 VanDerWaalsContact O-CG2 3.22Å; A209-T213 WeakPolarHBondContact O-CG2 3.23Å
210	L	87.8	Confident	91.9	Very high	46 Å²	46	62.1 Å²	62.1	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-89.3	-36.5	179.3	-159	64.5	0	0	0	112.9	L157 L205 N206 A207 N208 T213 I223 Q224	L157-L210 HydrophobicContact CD2-CD1 3.78Å; L205-L210 HydrophobicContact CD1-CD1 4.32Å; N206-L210 PolarHBondContact O-N 3.3Å; A207-L210 PolarHBondContact O-N 3.37Å; N208-L210 PolarHBondContact O-N 2.66Å; L210-T213 PolarHBondContact O-N 3.32Å; L210-T213 PolarHBondContact O-OG1 2.85Å; L210-I223 HydrophobicContact CD1-CG2 4.31Å; L210-Q224 VanDerWaalsContact CD1-CD 3.4Å; L210-Q224 HydrophobicContact CD1-CG 3.71Å; L210-Q224 HydrophobicContact CD2-CG 3.59Å; L210-Q224 HydrophobicContact CG-CG 4.01Å
211	N	86.7	Confident	91.9	Very high	100 Å²	100	57.2 Å²	57.2	54%	0.535	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	139.4	-176.8	-79.1	-13.3	0	0	0	110.9	A207 T213	A207-N211 VanDerWaalsContact O-CB 3.3Å; A207-N211 WeakPolarHBondContact O-CB 3.46Å; A207-N211 PolarHBondContact O-N 3.16Å; A207-N211 PolarHBondContact O-ND2 3.08Å; A207-N211 PolarHBondContact O-OD1 3.39Å; N211-T213 PolarHBondContact O-N 3.47Å; N211-T213 VanDerWaalsContact O-N 3.17Å
212	N	89.1	Confident	91.9	Very high	101 Å²	101	55.9 Å²	55.9	54%	0.54	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	23.7	178.4	-156.6	32.3	0	0	0	115.2	K154 P155	K154-N212 WeakPolarHBondContact CD-OD1 3.43Å; K154-N212 VanDerWaalsContact CE-OD1 3.24Å; K154-N212 WeakPolarHBondContact CE-OD1 3.34Å; P155-N212 WeakPolarHBondContact CD-O 3.2Å
213	T	93.4	Very high	91.7	Very high	28 Å²	28	55.8 Å²	55.8	17%	0.172	32%	0.317	C	S	.	.			trans	-96.7	160.1	172.5	64.4	0	0	0	0	112	P155 L157 A209 L210 N211	P155-T213 HydrophobicContact CG-CG2 4.24Å; P155-T213 WeakPolarHBondContact O-CA 3.46Å; L157-T213 HydrophobicContact CB-CG2 3.97Å; L157-T213 HydrophobicContact CD2-CG2 3.98Å; L157-T213 HydrophobicContact CG-CG2 4.47Å; A209-T213 VanDerWaalsContact O-CG2 3.22Å; A209-T213 WeakPolarHBondContact O-CG2 3.23Å; L210-T213 PolarHBondContact O-N 3.32Å; L210-T213 PolarHBondContact O-OG1 2.85Å; N211-T213 PolarHBondContact O-N 3.47Å; N211-T213 VanDerWaalsContact O-N 3.17Å
214	I	95.4	Very high	91.6	Very high	51 Å²	51	58.6 Å²	58.6	26%	0.262	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-123.1	147.2	174.3	-166.6	164.5	0	0	0	110.9	I151 K154 P155 I156 L157	I151-I214 HydrophobicContact CB-CD1 4.09Å; I151-I214 HydrophobicContact CB-CG2 4.14Å; I151-I214 HydrophobicContact CD1-CD1 4.19Å; I151-I214 HydrophobicContact CD1-CG2 4.28Å; I151-I214 HydrophobicContact CG1-CG2 4.3Å; I151-I214 HydrophobicContact CG2-CD1 4.28Å; K154-I214 HydrophobicContact CB-CB 4.41Å; K154-I214 HydrophobicContact CB-CG2 4.32Å; P155-I214 PolarHBondContact O-N 2.85Å; I156-I214 CarbonylContact C-O 3.55Å; I156-I214 VanDerWaalsContact CA-O 3.29Å; I156-I214 WeakPolarHBondContact CA-O 3.43Å; I156-I214 HydrophobicContact CB-CG2 4.45Å; I156-I214 HydrophobicContact CG1-CG2 3.8Å; L157-I214 PolarHBondContact N-O 3.2Å
215	K	96	Very high	91.6	Very high	68 Å²	68	59.4 Å²	59.4	30%	0.296	33%	0.331	S	S	.	.			trans	-64.6	155.5	175.4	70.5	176.3	-177.7	68.9	0	111.1	W219 P222	K215-W219 HydrophobicContact CD-CB 4.49Å; K215-W219 WeakPolarHBondContact CE-O 3.14Å; K215-W219 PolarHBondContact NZ-O 3.11Å; K215-P222 HydrophobicContact CB-CB 4.31Å; K215-P222 HydrophobicContact CB-CG 4.39Å; K215-P222 HydrophobicContact CD-CG 4.34Å
216	P	97.5	Very high	91.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.341	C	S	.	.			trans	-58	145.6	170.2	-23.5	35.2	0	0	0	111.3	I156 L157 P158 N164 N218 W219	I156-P216 HydrophobicContact CG2-CB 4.03Å; I156-P216 HydrophobicContact CG2-CG 3.83Å; L157-P216 WeakPolarHBondContact O-CD 3.41Å; P158-P216 HydrophobicContact CG-CG 4.44Å; P158-P216 WeakPolarHBondContact O-CG 3.49Å; N164-P216 HydrophobicContact CB-CB 4.17Å; N164-P216 WeakPolarHBondContact OD1-CB 3.31Å; P216-N218 PolarHBondContact O-N 2.85Å; P216-N218 VanDerWaalsContact O-N 3.16Å; P216-W219 HydrophobicContact CB-CB 4.39Å; P216-W219 HydrophobicContact CB-CD2 4.26Å; P216-W219 HydrophobicContact CB-CG 3.82Å; P216-W219 HydrophobicContact CG-CD2 3.7Å; P216-W219 HydrophobicContact CG-CE3 4.29Å; P216-W219 HydrophobicContact CG-CG 3.8Å; P216-W219 HydrophobicContact CG-CZ2 4.32Å; P216-W219 WeakPolarHBondContact O-CB 3.46Å; P216-W219 PolarHBondContact O-N 2.94Å
217	P	96.2	Very high	91.8	Very high	60 Å²	60	59.2 Å²	59.2	39%	0.39	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-44.4	-178.2	-28.9	30.8	0	0	0	114	Y148 I151 N164 W219	Y148-P217 HydrophobicContact CD1-CG 4.33Å; I151-P217 HydrophobicContact CD1-CG 3.95Å; N164-P217 VanDerWaalsContact OD1-CD 3.3Å; N164-P217 WeakPolarHBondContact OD1-CD 3.26Å; P217-W219 VanDerWaalsContact C-N 3.32Å; P217-W219 PolarHBondContact O-N 2.83Å
218	N	95.9	Very high	91.9	Very high	105 Å²	105	62 Å²	62	56%	0.561	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	1.1	-174.3	-68.2	-6.4	0	0	0	113.9	N164 P216	N164-N218 PolarHBondContact ND2-ND2 3.4Å; N164-N218 VanDerWaalsContact O-CB 3.32Å; N164-N218 WeakPolarHBondContact O-CB 3.35Å; N164-N218 PolarHBondContact OD1-N 2.95Å; N164-N218 VanDerWaalsContact OD1-N 3.07Å; P216-N218 PolarHBondContact O-N 2.85Å; P216-N218 VanDerWaalsContact O-N 3.16Å
219	W	96.2	Very high	92.1	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.011	32%	0.323	C	S	.	.			trans	-82.4	134.7	178.1	-77.3	28.2	0	0	0	110.4	P158 A163 I166 K215 P216 P217 Q221 I223 L237	P158-W219 VanDerWaalsContact CD-CH2 3.46Å; P158-W219 HydrophobicContact CG-CH2 3.58Å; P158-W219 HydrophobicContact CG-CZ2 3.7Å; P158-W219 HydrophobicContact CG-CZ3 4.39Å; A163-W219 HydrophobicContact CB-CZ2 4.38Å; A163-W219 PolarHBondContact O-NE1 3.21Å; I166-W219 HydrophobicContact CB-CZ2 4.47Å; I166-W219 HydrophobicContact CD1-CZ2 4.24Å; I166-W219 HydrophobicContact CG2-CD2 4.49Å; I166-W219 HydrophobicContact CG2-CZ2 4.15Å; I166-W219 VanDerWaalsContact CG2-NE1 3.25Å; K215-W219 HydrophobicContact CD-CB 4.49Å; K215-W219 WeakPolarHBondContact CE-O 3.14Å; K215-W219 PolarHBondContact NZ-O 3.11Å; P216-W219 HydrophobicContact CB-CB 4.39Å; P216-W219 HydrophobicContact CB-CD2 4.26Å; P216-W219 HydrophobicContact CB-CG 3.82Å; P216-W219 HydrophobicContact CG-CD2 3.7Å; P216-W219 HydrophobicContact CG-CE3 4.29Å; P216-W219 HydrophobicContact CG-CG 3.8Å; P216-W219 HydrophobicContact CG-CZ2 4.32Å; P216-W219 WeakPolarHBondContact O-CB 3.46Å; P216-W219 PolarHBondContact O-N 2.94Å; P217-W219 VanDerWaalsContact C-N 3.32Å; P217-W219 PolarHBondContact O-N 2.83Å; W219-Q221 VanDerWaalsContact C-N 3.3Å; W219-Q221 PolarHBondContact O-N 3.43Å; W219-I223 HydrophobicContact CH2-CD1 3.68Å; W219-I223 HydrophobicContact CZ3-CB 3.91Å; W219-I223 HydrophobicContact CZ3-CD1 3.57Å; W219-I223 HydrophobicContact CZ3-CG1 4.32Å; W219-L237 HydrophobicContact CH2-CD1 4.11Å; W219-L237 HydrophobicContact CH2-CD2 4.44Å; W219-L237 HydrophobicContact CZ2-CD1 4.03Å
220	P	92.2	Very high	92.2	Very high	85 Å²	85	59.4 Å²	59.4	55%	0.552	33%	0.328	S	S	*	.	S	Bend	trans	-67.9	-34.4	175.8	26.8	-33.4	0	0	0	111.4
221	Q	93.5	Very high	92.4	Very high	110 Å²	110	57.2 Å²	57.2	51%	0.514	32%	0.317	S	S	.	.	S	Bend	trans	-139.4	154.7	-175.9	-61.2	-64	-23.7	0	0	111.9	W219 T225	W219-Q221 VanDerWaalsContact C-N 3.3Å; W219-Q221 PolarHBondContact O-N 3.43Å; Q221-T225 WeakPolarHBondContact CB-OG1 3.45Å
222	P	93.6	Very high	92.7	Very high	41 Å²	41	56.2 Å²	56.2	27%	0.266	31%	0.308	S	S	.	.			trans	-62.3	156.1	174.2	-20.6	33.5	0	0	0	113.4	K215 Q224 T225	K215-P222 HydrophobicContact CB-CB 4.31Å; K215-P222 HydrophobicContact CB-CG 4.39Å; K215-P222 HydrophobicContact CD-CG 4.34Å; P222-Q224 PolarHBondContact O-N 3.09Å; P222-Q224 VanDerWaalsContact O-N 3.1Å; P222-T225 PolarHBondContact O-N 2.89Å; P222-T225 PolarHBondContact O-OG1 2.74Å
223	I	93.2	Very high	93	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-54.3	-33.1	-177.2	-172.1	70.8	0	0	0	113.6	L157 L205 L210 W219 T225 R226 P230 F231 L237	L157-I223 HydrophobicContact CD2-CG2 4Å; L157-I223 HydrophobicContact CG-CG2 4.31Å; L205-I223 HydrophobicContact CD1-CG2 4.14Å; L210-I223 HydrophobicContact CD1-CG2 4.31Å; W219-I223 HydrophobicContact CH2-CD1 3.68Å; W219-I223 HydrophobicContact CZ3-CB 3.91Å; W219-I223 HydrophobicContact CZ3-CD1 3.57Å; W219-I223 HydrophobicContact CZ3-CG1 4.32Å; I223-T225 PolarHBondContact O-N 2.82Å; I223-R226 PolarHBondContact O-N 2.92Å; I223-R226 VanDerWaalsContact O-N 3.13Å; I223-P230 HydrophobicContact CG1-CB 3.8Å; I223-P230 HydrophobicContact CG2-CB 4.31Å; I223-F231 HydrophobicContact CD1-CD1 3.89Å; I223-F231 HydrophobicContact CD1-CE1 3.95Å; I223-F231 HydrophobicContact CG1-CD1 3.94Å; I223-F231 HydrophobicContact CG1-CE1 3.88Å; I223-L237 HydrophobicContact CD1-CD2 3.86Å
224	Q	90.3	Very high	93.1	Very high	75 Å²	75	53.5 Å²	53.5	35%	0.35	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-54.8	-33.4	177.7	-63.9	86.3	-27.6	0	0	113.5	L210 P222	L210-Q224 VanDerWaalsContact CD1-CD 3.4Å; L210-Q224 HydrophobicContact CD1-CG 3.71Å; L210-Q224 HydrophobicContact CD2-CG 3.59Å; L210-Q224 HydrophobicContact CG-CG 4.01Å; P222-Q224 PolarHBondContact O-N 3.09Å; P222-Q224 VanDerWaalsContact O-N 3.1Å
225	T	91.9	Very high	93.1	Very high	87 Å²	87	52.4 Å²	52.4	53%	0.534	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-90.1	-10.8	-174.7	64.9	0	0	0	0	112.8	Q221 P222 I223	Q221-T225 WeakPolarHBondContact CB-OG1 3.45Å; P222-T225 PolarHBondContact O-N 2.89Å; P222-T225 PolarHBondContact O-OG1 2.74Å; I223-T225 PolarHBondContact O-N 2.82Å
226	R	91.3	Very high	93.2	Very high	80 Å²	80	50.9 Å²	50.9	30%	0.302	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-28.5	-173.9	-67	177.3	50.7	78.7	12.1	113.3	I223 D234	I223-R226 PolarHBondContact O-N 2.92Å; I223-R226 VanDerWaalsContact O-N 3.13Å; R226-D234 IonicContact CZ-OD2 2.84Å; R226-D234 IonicContact NE-OD2 3.19Å; R226-D234 PolarHBondContact NE-OD2 3.25Å; R226-D234 IonicContact NH2-OD1 3.56Å; R226-D234 PolarHBondContact NH2-OD1 3.21Å; R226-D234 IonicContact NH2-OD2 3.04Å; R226-D234 PolarHBondContact NH2-OD2 3.19Å
227	S	90.3	Very high	93.1	Very high	20 Å²	20	50.9 Å²	50.9	14%	0.14	29%	0.288	C	S	.	.			trans	-156.8	158.3	-178	67.1	0	0	0	0	111	N229 T233	S227-N229 VanDerWaalsContact C-N 3.33Å; S227-N229 PolarHBondContact O-N 3.41Å; S227-N229 PolarHBondContact OG-O 3.28Å; S227-T233 WeakPolarHBondContact CB-OG1 3.36Å; S227-T233 PolarHBondContact OG-OG1 2.85Å
228	S	88.6	Confident	93.2	Very high	123 Å²	123	48.1 Å²	48.1	86%	0.86	27%	0.27	S	S	*	.	S	Bend	trans	-65.8	-33.4	-178.6	54.7	0	0	0	0	113.5
229	N	89.6	Confident	93.3	Very high	44 Å²	44	44 Å²	44	24%	0.235	25%	0.249	C	C	.	.	S	Bend	trans	-123.9	93.2	171.2	-169.8	-28.7	0	0	0	108.4	T204 S227 F231 K232 T233	T204-N229 WeakPolarHBondContact CG2-OD1 3.46Å; T204-N229 PolarHBondContact OG1-ND2 3.44Å; T204-N229 PolarHBondContact OG1-OD1 3.19Å; S227-N229 VanDerWaalsContact C-N 3.33Å; S227-N229 PolarHBondContact O-N 3.41Å; S227-N229 PolarHBondContact OG-O 3.28Å; N229-F231 PolarHBondContact O-N 3.48Å; N229-K232 PolarHBondContact O-N 3.04Å; N229-T233 WeakPolarHBondContact CA-OG1 3.41Å; N229-T233 HydrophobicContact CB-CG2 3.78Å; N229-T233 PolarHBondContact N-OG1 3.11Å; N229-T233 PolarHBondContact O-N 3.03Å; N229-T233 PolarHBondContact O-OG1 3.2Å
230	P	87.4	Confident	93.4	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.123	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.6	135	178.1	-37.8	43.3	0	0	0	112.9	L205 I223 K232	L205-P230 HydrophobicContact CB-CB 4.4Å; L205-P230 HydrophobicContact CD1-CB 3.47Å; L205-P230 VanDerWaalsContact CD1-CB 3.47Å; L205-P230 HydrophobicContact CG-CB 4.4Å; I223-P230 HydrophobicContact CG1-CB 3.8Å; I223-P230 HydrophobicContact CG2-CB 4.31Å; P230-K232 VanDerWaalsContact C-N 3.28Å; P230-K232 PolarHBondContact O-N 3.18Å
231	F	92.7	Very high	93.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	69.2	-65.9	-167.6	-58.2	-24.7	0	0	0	114.7	Q131 L132 L157 P158 F202 L205 I223 N229 T233 D234 L237	Q131-F231 WeakPolarHBondContact O-CE2 3.27Å; L132-F231 HydrophobicContact CD2-CE1 4.27Å; L132-F231 HydrophobicContact CD2-CZ 4.26Å; L157-F231 HydrophobicContact CD1-CE2 3.9Å; L157-F231 HydrophobicContact CD1-CZ 3.58Å; L157-F231 HydrophobicContact CG-CZ 4.06Å; P158-F231 HydrophobicContact CB-CE1 3.8Å; P158-F231 HydrophobicContact CB-CZ 3.83Å; P158-F231 HydrophobicContact CG-CE1 3.98Å; P158-F231 HydrophobicContact CG-CZ 4.44Å; F202-F231 HydrophobicContact CB-CB 4.36Å; F202-F231 HydrophobicContact CD1-CB 4.22Å; L205-F231 HydrophobicContact CD1-CD1 4.37Å; L205-F231 HydrophobicContact CD1-CD2 3.61Å; L205-F231 HydrophobicContact CD1-CE1 4.34Å; L205-F231 HydrophobicContact CD1-CE2 3.55Å; L205-F231 HydrophobicContact CD1-CG 4.04Å; L205-F231 HydrophobicContact CD1-CZ 3.94Å; L205-F231 HydrophobicContact CD2-CD2 4.03Å; L205-F231 HydrophobicContact CD2-CE2 3.7Å; L205-F231 HydrophobicContact CG-CD2 3.64Å; L205-F231 HydrophobicContact CG-CE2 3.75Å; L205-F231 HydrophobicContact CG-CG 4.41Å; I223-F231 HydrophobicContact CD1-CD1 3.89Å; I223-F231 HydrophobicContact CD1-CE1 3.95Å; I223-F231 HydrophobicContact CG1-CD1 3.94Å; I223-F231 HydrophobicContact CG1-CE1 3.88Å; N229-F231 PolarHBondContact O-N 3.48Å; F231-T233 VanDerWaalsContact C-N 3.27Å; F231-T233 PolarHBondContact O-N 2.88Å; F231-D234 PolarHBondContact O-N 3.01Å; F231-L237 HydrophobicContact CD1-CD2 3.49Å; F231-L237 VanDerWaalsContact CD1-CD2 3.49Å; F231-L237 HydrophobicContact CE1-CD2 3.89Å
232	K	93.1	Very high	93.9	Very high	80 Å²	80	38.6 Å²	38.6	35%	0.348	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.1	-170.1	-171.2	163.7	-174	169.2	0	114	G203 T204 N229 P230	G203-K232 PolarHBondContact O-N 3.05Å; T204-K232 WeakPolarHBondContact OG1-CD 3.38Å; N229-K232 PolarHBondContact O-N 3.04Å; P230-K232 VanDerWaalsContact C-N 3.28Å; P230-K232 PolarHBondContact O-N 3.18Å
233	T	94.2	Very high	94.1	Very high	63 Å²	63	39.4 Å²	39.4	39%	0.387	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-1.1	-178.4	58.3	0	0	0	0	114	S227 N229 F231 E235	S227-T233 WeakPolarHBondContact CB-OG1 3.36Å; S227-T233 PolarHBondContact OG-OG1 2.85Å; N229-T233 WeakPolarHBondContact CA-OG1 3.41Å; N229-T233 HydrophobicContact CB-CG2 3.78Å; N229-T233 PolarHBondContact N-OG1 3.11Å; N229-T233 PolarHBondContact O-N 3.03Å; N229-T233 PolarHBondContact O-OG1 3.2Å; F231-T233 VanDerWaalsContact C-N 3.27Å; F231-T233 PolarHBondContact O-N 2.88Å; T233-E235 VanDerWaalsContact C-N 3.31Å; T233-E235 PolarHBondContact O-N 2.93Å; T233-E235 VanDerWaalsContact O-N 3.11Å
234	D	95.6	Very high	94.3	Very high	8 Å²	8	40 Å²	40	4%	0.043	22%	0.22	C	C	.	.			trans	-86.6	72.3	175	-168.7	-16.5	0	0	0	109.7	R226 F231 A236 L237 I238	R226-D234 IonicContact CZ-OD2 2.84Å; R226-D234 IonicContact NE-OD2 3.19Å; R226-D234 PolarHBondContact NE-OD2 3.25Å; R226-D234 IonicContact NH2-OD1 3.56Å; R226-D234 PolarHBondContact NH2-OD1 3.21Å; R226-D234 IonicContact NH2-OD2 3.04Å; R226-D234 PolarHBondContact NH2-OD2 3.19Å; F231-D234 PolarHBondContact O-N 3.01Å; D234-A236 PolarHBondContact O-N 2.99Å; D234-L237 HydrophobicContact CB-CB 3.97Å; D234-L237 VanDerWaalsContact CG-CB 3.44Å; D234-L237 WeakPolarHBondContact O-CB 3.41Å; D234-L237 PolarHBondContact O-N 3.25Å; D234-L237 PolarHBondContact OD1-N 3.02Å; D234-I238 WeakPolarHBondContact O-CG1 3.25Å; D234-I238 PolarHBondContact O-N 2.93Å
235	E	97	Very high	94.7	Very high	28 Å²	28	40.5 Å²	40.5	13%	0.131	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-26.8	-177.6	-66	-167.3	-139.6	0	0	112.9	K190 G191 I192 A193 T233 I238 V239	K190-E235 WeakPolarHBondContact CA-OE1 3.48Å; G191-E235 WeakPolarHBondContact CA-OE2 3.32Å; G191-E235 PolarHBondContact N-OE1 3.18Å; G191-E235 PolarHBondContact N-OE2 3.15Å; I192-E235 HydrophobicContact CD1-CB 4.02Å; I192-E235 HydrophobicContact CG1-CB 3.56Å; I192-E235 PolarHBondContact N-OE2 2.98Å; A193-E235 HydrophobicContact CB-CB 3.91Å; A193-E235 HydrophobicContact CB-CG 3.94Å; A193-E235 PolarHBondContact N-OE2 3.45Å; T233-E235 VanDerWaalsContact C-N 3.31Å; T233-E235 PolarHBondContact O-N 2.93Å; T233-E235 VanDerWaalsContact O-N 3.11Å; E235-I238 PolarHBondContact O-N 2.78Å; E235-V239 WeakPolarHBondContact O-CB 3.45Å; E235-V239 VanDerWaalsContact O-CG2 3.3Å; E235-V239 WeakPolarHBondContact O-CG2 2.94Å; E235-V239 PolarHBondContact O-N 2.76Å
236	A	96.5	Very high	95	Very high	37 Å²	37	41.9 Å²	41.9	31%	0.306	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-42.3	173.8	0	0	0	0	0	111.6	D234 W240	D234-A236 PolarHBondContact O-N 2.99Å; A236-W240 WeakPolarHBondContact O-CB 3.45Å; A236-W240 PolarHBondContact O-N 2.86Å
237	L	97	Very high	95.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-47	170	175	68.3	0	0	0	111	I166 W219 I223 F231 D234 V239 W240 M241	I166-L237 HydrophobicContact CD1-CB 4.18Å; I166-L237 HydrophobicContact CD1-CD1 3.89Å; W219-L237 HydrophobicContact CH2-CD1 4.11Å; W219-L237 HydrophobicContact CH2-CD2 4.44Å; W219-L237 HydrophobicContact CZ2-CD1 4.03Å; I223-L237 HydrophobicContact CD1-CD2 3.86Å; F231-L237 HydrophobicContact CD1-CD2 3.49Å; F231-L237 VanDerWaalsContact CD1-CD2 3.49Å; F231-L237 HydrophobicContact CE1-CD2 3.89Å; D234-L237 HydrophobicContact CB-CB 3.97Å; D234-L237 VanDerWaalsContact CG-CB 3.44Å; D234-L237 WeakPolarHBondContact O-CB 3.41Å; D234-L237 PolarHBondContact O-N 3.25Å; D234-L237 PolarHBondContact OD1-N 3.02Å; L237-V239 PolarHBondContact O-N 2.94Å; L237-W240 WeakPolarHBondContact O-CB 3.44Å; L237-W240 PolarHBondContact O-N 2.04Å; L237-W240 VanDerWaalsContact O-N 3.11Å; L237-M241 HydrophobicContact CD1-CG 3.71Å; L237-M241 HydrophobicContact CD1-SD 4.1Å; L237-M241 HydrophobicContact CG-CG 4.02Å; L237-M241 WeakPolarHBondContact O-CB 3.46Å; L237-M241 WeakPolarHBondContact O-CG 3.3Å; L237-M241 PolarHBondContact O-N 2.95Å
238	I	97.7	Very high	95.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-48.1	-178.5	-62	176.5	0	0	0	111.1	A193 D197 V198 F202 D234 E235 W240 M241 R242	A193-I238 HydrophobicContact CB-CB 3.93Å; A193-I238 HydrophobicContact CB-CD1 4.41Å; A193-I238 HydrophobicContact CB-CG2 3.63Å; D197-I238 HydrophobicContact CB-CG2 3.56Å; V198-I238 HydrophobicContact CG2-CD1 3.86Å; F202-I238 HydrophobicContact CB-CD1 4Å; F202-I238 HydrophobicContact CB-CG1 4.18Å; F202-I238 HydrophobicContact CD1-CG1 3.85Å; F202-I238 HydrophobicContact CD2-CB 4.27Å; F202-I238 HydrophobicContact CD2-CD1 4.05Å; F202-I238 HydrophobicContact CD2-CG1 3.66Å; F202-I238 HydrophobicContact CD2-CG2 3.9Å; F202-I238 HydrophobicContact CE1-CG1 4.1Å; F202-I238 HydrophobicContact CE2-CB 4.13Å; F202-I238 HydrophobicContact CE2-CG1 3.95Å; F202-I238 HydrophobicContact CE2-CG2 3.7Å; F202-I238 HydrophobicContact CG-CD1 3.97Å; F202-I238 HydrophobicContact CG-CG1 3.62Å; F202-I238 HydrophobicContact CZ-CB 4.36Å; F202-I238 HydrophobicContact CZ-CG1 4.17Å; F202-I238 HydrophobicContact CZ-CG2 4.35Å; D234-I238 WeakPolarHBondContact O-CG1 3.25Å; D234-I238 PolarHBondContact O-N 2.93Å; E235-I238 PolarHBondContact O-N 2.78Å; I238-W240 VanDerWaalsContact C-N 3.32Å; I238-W240 PolarHBondContact O-N 3.48Å; I238-M241 PolarHBondContact O-N 3.5Å; I238-R242 PolarHBondContact O-N 3.39Å
239	V	98.3	Very high	96.1	Very high	18 Å²	18	38.9 Å²	38.9	11%	0.109	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-40.1	176.5	171.4	0	0	0	0	111.3	I192 A193 E235 L237 K251	I192-V239 HydrophobicContact CB-CG2 4.33Å; I192-V239 HydrophobicContact CD1-CG2 4.23Å; I192-V239 HydrophobicContact CG1-CG2 3.87Å; I192-V239 WeakPolarHBondContact O-CG2 3.48Å; A193-V239 HydrophobicContact CB-CG2 4.22Å; E235-V239 WeakPolarHBondContact O-CB 3.45Å; E235-V239 VanDerWaalsContact O-CG2 3.3Å; E235-V239 WeakPolarHBondContact O-CG2 2.94Å; E235-V239 PolarHBondContact O-N 2.76Å; L237-V239 PolarHBondContact O-N 2.94Å; V239-K251 HydrophobicContact CG1-CB 3.87Å; V239-K251 HydrophobicContact CG1-CD 4.36Å; V239-K251 HydrophobicContact CG1-CG 4.17Å; V239-K251 PolarHBondContact O-NZ 3.21Å
240	W	98.2	Very high	96.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-47.2	177.6	-179.5	-104.4	0	0	0	112.3	Y111 L113 F116 Q118 Y123 I162 S165 I166 F167 A236 L237 I238 R242 F249 K251 Y279	Y111-W240 HydrophobicContact CE2-CE3 4.28Å; Y111-W240 HydrophobicContact CE2-CZ3 4.13Å; L113-W240 HydrophobicContact CD1-CH2 3.94Å; L113-W240 HydrophobicContact CD1-CZ3 3.95Å; F116-W240 HydrophobicContact CE1-CH2 4.25Å; F116-W240 HydrophobicContact CE1-CZ2 4.36Å; F116-W240 HydrophobicContact CZ-CH2 4Å; F116-W240 HydrophobicContact CZ-CZ2 4.06Å; Q118-W240 VanDerWaalsContact NE2-CH2 3.34Å; Y123-W240 WeakPolarHBondContact OH-CZ2 3.21Å; I162-W240 PolarHBondContact O-NE1 3.43Å; S165-W240 WeakPolarHBondContact O-CZ2 3.18Å; I166-W240 HydrophobicContact CB-CG 4.38Å; I166-W240 HydrophobicContact CG1-CB 4.11Å; I166-W240 HydrophobicContact CG1-CG 3.9Å; F167-W240 HydrophobicContact CB-CE3 3.79Å; F167-W240 HydrophobicContact CB-CH2 4.4Å; F167-W240 HydrophobicContact CB-CZ3 3.72Å; A236-W240 WeakPolarHBondContact O-CB 3.45Å; A236-W240 PolarHBondContact O-N 2.86Å; L237-W240 WeakPolarHBondContact O-CB 3.44Å; L237-W240 PolarHBondContact O-N 2.04Å; L237-W240 VanDerWaalsContact O-N 3.11Å; I238-W240 VanDerWaalsContact C-N 3.32Å; I238-W240 PolarHBondContact O-N 3.48Å; W240-R242 PolarHBondContact O-N 3.42Å; W240-R242 VanDerWaalsContact O-N 3.13Å; W240-F249 HydrophobicContact CZ3-CE2 4.4Å; W240-F249 HydrophobicContact CZ3-CZ 4.46Å; W240-K251 HydrophobicContact CE3-CD 3.62Å; W240-K251 HydrophobicContact CZ3-CD 4.07Å; W240-K251 PolarHBondContact O-NZ 3.31Å; W240-Y279 WeakPolarHBondContact CH2-OH 3.46Å
241	M	98	Very high	97	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.044	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-19.2	-177.5	-70.4	-57.3	-72.7	0	0	113.5	K127 L132 I162 A163 F202 L237 I238 I243	K127-M241 HydrophobicContact CB-CE 4Å; K127-M241 HydrophobicContact CD-CE 4.46Å; L132-M241 HydrophobicContact CD1-CE 3.67Å; L132-M241 HydrophobicContact CD2-CE 4.29Å; I162-M241 HydrophobicContact CB-CE 4.13Å; I162-M241 HydrophobicContact CB-SD 3.95Å; I162-M241 HydrophobicContact CG2-CE 4.09Å; I162-M241 HydrophobicContact CG2-SD 3.48Å; I162-M241 WeakPolarHBondContact CG2-SD 3.22Å; A163-M241 HydrophobicContact CB-CE 4.35Å; A163-M241 HydrophobicContact CB-SD 3.78Å; F202-M241 HydrophobicContact CE1-CB 4.33Å; F202-M241 HydrophobicContact CE1-CG 4.12Å; F202-M241 HydrophobicContact CZ-CB 3.72Å; F202-M241 HydrophobicContact CZ-CG 4.03Å; L237-M241 HydrophobicContact CD1-CG 3.71Å; L237-M241 HydrophobicContact CD1-SD 4.1Å; L237-M241 HydrophobicContact CG-CG 4.02Å; L237-M241 WeakPolarHBondContact O-CB 3.46Å; L237-M241 WeakPolarHBondContact O-CG 3.3Å; L237-M241 PolarHBondContact O-N 2.95Å; I238-M241 PolarHBondContact O-N 3.5Å; M241-I243 PolarHBondContact O-N 3.06Å
242	R	97.6	Very high	97.3	Very high	77 Å²	77	42.8 Å²	42.8	29%	0.291	23%	0.231	S	C	.	.	S	Bend	trans	-75.8	99.1	169.5	-175	178.2	-75	-139.9	-3.8	110.8	W194 D197 I238 W240 A244 K251	W194-R242 VanDerWaalsContact CD2-CZ 3.45Å; W194-R242 VanDerWaalsContact CE3-NH1 3.31Å; W194-R242 VanDerWaalsContact CG-NH2 3.27Å; D197-R242 IonicContact OD1-NH2 3.05Å; D197-R242 PolarHBondContact OD1-NH2 3.45Å; D197-R242 VanDerWaalsContact OD1-NH2 3.13Å; D197-R242 IonicContact OD2-CZ 3.83Å; D197-R242 VanDerWaalsContact OD2-CZ 3.32Å; D197-R242 IonicContact OD2-NE 3.27Å; D197-R242 PolarHBondContact OD2-NE 2.82Å; D197-R242 VanDerWaalsContact OD2-NE 3.14Å; D197-R242 IonicContact OD2-NH2 3.85Å; D197-R242 PolarHBondContact OD2-NH2 3.18Å; I238-R242 PolarHBondContact O-N 3.39Å; W240-R242 PolarHBondContact O-N 3.42Å; W240-R242 VanDerWaalsContact O-N 3.13Å; R242-A244 PolarHBondContact O-N 2.87Å; R242-K251 PolarHBondContact O-NZ 2.88Å
243	I	97.6	Very high	97.6	Very high	57 Å²	57	40.6 Å²	40.6	29%	0.292	22%	0.223	S	C	.	.			trans	-55.4	131.5	-179.2	-67.9	152.3	0	0	0	112.2	Q118 A124 I162 M241	Q118-I243 HydrophobicContact CB-CG2 3.95Å; Q118-I243 WeakPolarHBondContact O-CG2 3.44Å; A124-I243 VanDerWaalsContact CA-CD1 3.47Å; A124-I243 HydrophobicContact CB-CD1 3.64Å; I162-I243 HydrophobicContact CD1-CD1 3.81Å; I162-I243 HydrophobicContact CD1-CG1 4.03Å; M241-I243 PolarHBondContact O-N 3.06Å
244	A	98.2	Very high	97.7	Very high	15 Å²	15	37.7 Å²	37.7	12%	0.124	21%	0.205	C	C	.	.			trans	-73	142.8	169.6	0	0	0	0	0	111.9	Q118 R242 F249	Q118-A244 HydrophobicContact CB-CB 4.34Å; R242-A244 PolarHBondContact O-N 2.87Å; A244-F249 HydrophobicContact CB-CB 3.45Å; A244-F249 VanDerWaalsContact CB-CB 3.45Å; A244-F249 HydrophobicContact CB-CD1 3.49Å; A244-F249 VanDerWaalsContact CB-CD1 3.49Å; A244-F249 HydrophobicContact CB-CD2 3.96Å; A244-F249 HydrophobicContact CB-CE1 4.15Å; A244-F249 HydrophobicContact CB-CG 3.36Å
245	A	97.8	Very high	97.8	Very high	84 Å²	84	39 Å²	39	69%	0.694	21%	0.212	S	C	*	.	S	Bend	trans	-75	-24	-179.2	0	0	0	0	0	113.9	N119	N119-A245 PolarHBondContact ND2-O 3.35Å
246	L	97.8	Very high	97.9	Very high	116 Å²	116	37.8 Å²	37.8	61%	0.607	21%	0.206	S	C	*	.	S	Bend	trans	-125.8	155.6	-174.7	-64.6	177.6	0	0	0	110.8	N248	L246-N248 PolarHBondContact O-N 3.41Å
247	P	97.9	Very high	97.9	Very high	31 Å²	31	38.3 Å²	38.3	20%	0.201	21%	0.206	C	C	.	.	S	Bend	trans	-68.7	-16.4	180	27.2	-35.7	0	0	0	114.3	N115 F116 Y117	N115-P247 PolarHBondContact N-O 3.12Å; F116-P247 PolarHBondContact N-O 3.24Å; F116-P247 VanDerWaalsContact O-CA 3.32Å; F116-P247 WeakPolarHBondContact O-CA 3.37Å; Y117-P247 HydrophobicContact CD1-CB 3.82Å; Y117-P247 HydrophobicContact CD1-CG 4.41Å; Y117-P247 HydrophobicContact CD2-CB 4.5Å; Y117-P247 HydrophobicContact CE1-CB 3.7Å; Y117-P247 HydrophobicContact CE1-CG 3.99Å; Y117-P247 HydrophobicContact CE2-CB 4.39Å; Y117-P247 HydrophobicContact CG-CB 4.22Å
248	N	98.1	Very high	97.8	Very high	104 Å²	104	41.7 Å²	41.7	56%	0.556	22%	0.222	S	C	*	.	S	Bend	trans	-111.8	112.9	174	-58.8	-35.7	0	0	0	107.6	L113 S114 N115 L246	L113-N248 WeakPolarHBondContact O-CA 3.44Å; S114-N248 WeakPolarHBondContact CA-OD1 3.44Å; S114-N248 WeakPolarHBondContact CB-OD1 3.31Å; N115-N248 PolarHBondContact N-OD1 2.61Å; L246-N248 PolarHBondContact O-N 3.41Å
249	F	98.2	Very high	97.6	Very high	26 Å²	26	47.8 Å²	47.8	11%	0.114	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.6	-174.4	63.4	-95.3	0	0	0	111.7	G112 L113 F116 Q118 W240 A244 K251	G112-F249 CarbonylContact C-O 3.44Å; G112-F249 VanDerWaalsContact CA-O 3.24Å; G112-F249 WeakPolarHBondContact CA-O 3.42Å; L113-F249 HydrophobicContact CB-CE1 4.2Å; L113-F249 HydrophobicContact CB-CE2 4.12Å; L113-F249 HydrophobicContact CB-CZ 3.85Å; L113-F249 HydrophobicContact CD1-CE2 4.09Å; L113-F249 HydrophobicContact CD1-CZ 3.78Å; L113-F249 HydrophobicContact CG-CE2 4.38Å; L113-F249 HydrophobicContact CG-CZ 4.3Å; L113-F249 PolarHBondContact N-O 2.88Å; L113-F249 PolarHBondContact O-N 3.01Å; F116-F249 HydrophobicContact CB-CE1 3.81Å; F116-F249 HydrophobicContact CB-CZ 4.32Å; F116-F249 AromaticContact CD1-CE1 3.82Å; F116-F249 HydrophobicContact CD1-CE1 3.82Å; F116-F249 AromaticContact CD1-CZ 3.96Å; F116-F249 HydrophobicContact CD1-CZ 3.96Å; F116-F249 HydrophobicContact CG-CE1 4.08Å; F116-F249 HydrophobicContact CG-CZ 4.22Å; F116-F249 WeakPolarHBondContact O-CE1 3.26Å; Q118-F249 HydrophobicContact CG-CE1 3.74Å; Q118-F249 HydrophobicContact CG-CZ 3.78Å; W240-F249 HydrophobicContact CZ3-CE2 4.4Å; W240-F249 HydrophobicContact CZ3-CZ 4.46Å; A244-F249 HydrophobicContact CB-CB 3.45Å; A244-F249 VanDerWaalsContact CB-CB 3.45Å; A244-F249 HydrophobicContact CB-CD1 3.49Å; A244-F249 VanDerWaalsContact CB-CD1 3.49Å; A244-F249 HydrophobicContact CB-CD2 3.96Å; A244-F249 HydrophobicContact CB-CE1 4.15Å; A244-F249 HydrophobicContact CB-CG 3.36Å; F249-K251 HydrophobicContact CD2-CD 4.37Å; F249-K251 HydrophobicContact CD2-CG 4.07Å; F249-K251 HydrophobicContact CE2-CD 3.97Å; F249-K251 HydrophobicContact CE2-CG 4.16Å
250	R	97.9	Very high	97.4	Very high	102 Å²	102	52.7 Å²	52.7	39%	0.385	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151	169.4	64.7	179.3	117.6	-171.9	-2.4	110	E64 Y110 Y111 I291	E64-R250 IonicContact OE1-NH1 3.14Å; E64-R250 IonicContact OE2-CZ 3.32Å; E64-R250 IonicContact OE2-NH1 2.7Å; E64-R250 PolarHBondContact OE2-NH1 2.9Å; E64-R250 IonicContact OE2-NH2 3.13Å; Y110-R250 HydrophobicContact CD1-CG 4.3Å; Y111-R250 CarbonylContact O-C 3.55Å; Y111-R250 WeakPolarHBondContact O-CA 3.29Å; R250-I291 HydrophobicContact CB-CD1 4.06Å
251	K	98.5	Very high	97.2	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.7	176.2	-77	179.2	-179.7	-64.7	0	109.2	Y110 Y111 Q118 V239 W240 R242 F249 N253	Y110-K251 VanDerWaalsContact CA-O 3.24Å; Y110-K251 WeakPolarHBondContact CA-O 3.49Å; Y110-K251 WeakPolarHBondContact CB-O 3.36Å; Y111-K251 HydrophobicContact CD2-CB 4.28Å; Y111-K251 HydrophobicContact CE1-CB 3.95Å; Y111-K251 HydrophobicContact CE2-CB 3.59Å; Y111-K251 HydrophobicContact CE2-CD 3.82Å; Y111-K251 HydrophobicContact CE2-CG 4.17Å; Y111-K251 PolarHBondContact N-O 3.17Å; Y111-K251 VanDerWaalsContact N-O 3.09Å; Y111-K251 PolarHBondContact O-N 3.1Å; Y111-K251 WeakPolarHBondContact OH-CB 3.25Å; Y111-K251 WeakPolarHBondContact OH-CD 3.35Å; Q118-K251 VanDerWaalsContact OE1-CE 3.3Å; V239-K251 HydrophobicContact CG1-CB 3.87Å; V239-K251 HydrophobicContact CG1-CD 4.36Å; V239-K251 HydrophobicContact CG1-CG 4.17Å; V239-K251 PolarHBondContact O-NZ 3.21Å; W240-K251 HydrophobicContact CE3-CD 3.62Å; W240-K251 HydrophobicContact CZ3-CD 4.07Å; W240-K251 PolarHBondContact O-NZ 3.31Å; R242-K251 PolarHBondContact O-NZ 2.88Å; F249-K251 HydrophobicContact CD2-CD 4.37Å; F249-K251 HydrophobicContact CD2-CG 4.07Å; F249-K251 HydrophobicContact CE2-CD 3.97Å; F249-K251 HydrophobicContact CE2-CG 4.16Å; K251-N253 PolarHBondContact O-N 3.41Å
252	L	98.3	Very high	97.1	Very high	29 Å²	29	55.5 Å²	55.5	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.1	179.1	-175.4	59.8	0	0	0	108.7	Y108 Y110 I192	Y108-L252 HydrophobicContact CD1-CD1 3.91Å; Y108-L252 HydrophobicContact CD1-CD2 4.4Å; Y108-L252 HydrophobicContact CG-CD1 4.29Å; Y110-L252 HydrophobicContact CD1-CB 4Å; Y110-L252 HydrophobicContact CD1-CD1 4.07Å; Y110-L252 HydrophobicContact CE1-CB 3.84Å; Y110-L252 HydrophobicContact CE1-CD1 3.71Å; Y110-L252 HydrophobicContact CE1-CG 4.33Å; Y110-L252 HydrophobicContact CE2-CD1 4.44Å; I192-L252 HydrophobicContact CB-CB 4.44Å; I192-L252 HydrophobicContact CB-CD2 3.71Å; I192-L252 HydrophobicContact CB-CG 3.83Å; I192-L252 HydrophobicContact CG2-CD2 3.87Å; I192-L252 HydrophobicContact CG2-CG 3.83Å
253	N	98.2	Very high	97	Very high	34 Å²	34	54.1 Å²	54.1	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-45.5	-177.7	-177.3	-106.7	0	0	0	111.1	L109 Y111 K251	L109-N253 HydrophobicContact CD2-CB 3.62Å; L109-N253 WeakPolarHBondContact CD2-OD1 3.33Å; L109-N253 WeakPolarHBondContact O-CB 3.5Å; L109-N253 PolarHBondContact O-N 3.37Å; Y111-N253 HydrophobicContact CD1-CB 3.78Å; Y111-N253 HydrophobicContact CE1-CB 4.17Å; K251-N253 PolarHBondContact O-N 3.41Å
254	A	98	Very high	96.9	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	165.8	179.6	0	0	0	0	0	111.4	L109 T187 T188	L109-A254 HydrophobicContact CB-CB 4.36Å; L109-A254 PolarHBondContact N-O 3.32Å; L109-A254 PolarHBondContact O-N 3.42Å; T187-A254 HydrophobicContact CG2-CB 4.47Å; T188-A254 CarbonylContact O-C 3.59Å; T188-A254 VanDerWaalsContact O-CA 3.29Å; T188-A254 WeakPolarHBondContact O-CA 3.18Å; T188-A254 WeakPolarHBondContact O-CB 3.29Å
255	I	98	Very high	96.7	Very high	36 Å²	36	58 Å²	58	19%	0.185	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.8	174.6	-52	176.8	0	0	0	107.7	Y108 T187 T188 I192 V257	Y108-I255 HydrophobicContact CD1-CD1 4.49Å; Y108-I255 HydrophobicContact CD1-CG1 4Å; Y108-I255 HydrophobicContact CD1-CG2 4.33Å; Y108-I255 HydrophobicContact CE1-CD1 4.26Å; Y108-I255 HydrophobicContact CE1-CG1 4.24Å; Y108-I255 HydrophobicContact CE1-CG2 4.31Å; T187-I255 CarbonylContact C-O 3.6Å; T187-I255 VanDerWaalsContact CA-O 3.26Å; T187-I255 WeakPolarHBondContact CA-O 3.37Å; T188-I255 HydrophobicContact CG2-CB 4.09Å; T188-I255 PolarHBondContact N-O 2.88Å; T188-I255 PolarHBondContact O-N 2.59Å; I192-I255 HydrophobicContact CG2-CD1 4.3Å; I192-I255 HydrophobicContact CG2-CG1 4.02Å; I255-V257 PolarHBondContact O-N 2.91Å
256	V	97.6	Very high	96.7	Very high	2 Å²	2	54 Å²	54	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.1	175.2	177.1	0	0	0	0	109.1	V107 V185 T187 Q258 F262 L266	V107-V256 HydrophobicContact CB-CB 4.06Å; V107-V256 HydrophobicContact CB-CG2 3.92Å; V107-V256 HydrophobicContact CG1-CG2 3.99Å; V107-V256 PolarHBondContact O-N 2.68Å; V185-V256 HydrophobicContact CG1-CG1 3.77Å; V185-V256 HydrophobicContact CG1-CG2 4.19Å; T187-V256 HydrophobicContact CG2-CG2 4.38Å; V256-Q258 PolarHBondContact O-N 3.36Å; V256-Q258 PolarHBondContact O-NE2 2.83Å; V256-F262 HydrophobicContact CG1-CB 4.19Å; V256-L266 HydrophobicContact CG1-CD2 3.97Å; V256-L266 HydrophobicContact CG2-CD1 4.46Å; V256-L266 HydrophobicContact CG2-CD2 4.42Å
257	V	97.3	Very high	96.6	Very high	49 Å²	49	50.1 Å²	50.1	30%	0.297	26%	0.262	S	S	.	.			trans	-69.1	121.7	176.6	178.4	0	0	0	0	108.6	T186 T188 I255 K259	T186-V257 HydrophobicContact CG2-CB 4.19Å; T186-V257 HydrophobicContact CG2-CG2 3.93Å; T186-V257 PolarHBondContact O-N 2.87Å; T188-V257 HydrophobicContact CG2-CG2 4.19Å; I255-V257 PolarHBondContact O-N 2.91Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 HydrophobicContact CG1-CB 4.15Å; V257-K259 PolarHBondContact O-N 2.77Å
258	Q	94.2	Very high	96.4	Very high	71 Å²	71	51.5 Å²	51.5	33%	0.332	27%	0.272	S	S	.	.			trans	-79	80.4	-178.1	-58.9	-64.1	-62	0	0	110.1	V256 F262 A263	V256-Q258 PolarHBondContact O-N 3.36Å; V256-Q258 PolarHBondContact O-NE2 2.83Å; Q258-F262 WeakPolarHBondContact CA-O 3.22Å; Q258-F262 PolarHBondContact OE1-O 2.78Å; Q258-F262 VanDerWaalsContact OE1-O 3.11Å; Q258-A263 PolarHBondContact OE1-O 3.19Å
259	K	94.6	Very high	96.3	Very high	128 Å²	128	47.6 Å²	47.6	56%	0.557	26%	0.257	S	S	*	.			trans	-146.1	152.4	-178.6	-161.8	-165.2	167.1	-165.7	0	110.8	V257 D261 F262	V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 HydrophobicContact CG1-CB 4.15Å; V257-K259 PolarHBondContact O-N 2.77Å; K259-D261 PolarHBondContact O-N 2.81Å; K259-F262 WeakPolarHBondContact O-CA 3.48Å; K259-F262 PolarHBondContact O-N 2.81Å
260	D	93.8	Very high	96.2	Very high	121 Å²	121	48.8 Å²	48.8	65%	0.647	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	56	-126.3	174.4	-51	-44.7	0	0	0	110.5	F262 A263	D260-F262 PolarHBondContact O-N 2.82Å; D260-A263 WeakPolarHBondContact O-CB 3.28Å; D260-A263 PolarHBondContact O-N 3.13Å
261	D	93.3	Very high	96.2	Very high	62 Å²	62	44 Å²	44	33%	0.332	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-58	-19.9	176.9	-64.4	-25.7	0	0	0	113.5	R177 K259	R177-D261 IonicContact CZ-OD1 3.73Å; R177-D261 IonicContact CZ-OD2 3.55Å; R177-D261 IonicContact NE-OD1 2.78Å; R177-D261 IonicContact NE-OD2 3.79Å; R177-D261 PolarHBondContact NE-OD2 2.87Å; R177-D261 IonicContact NH2-OD1 3.94Å; R177-D261 PolarHBondContact NH2-OD1 2.83Å; R177-D261 IonicContact NH2-OD2 2.67Å; R177-D261 PolarHBondContact NH2-OD2 3.4Å; K259-D261 PolarHBondContact O-N 2.81Å
262	F	95.7	Very high	96.1	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.031	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-106.6	13.7	-174.3	-44.1	-61.7	0	0	0	113.5	Y175 V183 V185 V256 Q258 K259 D260 N264 G265 L266	Y175-F262 HydrophobicContact CD1-CE1 4.23Å; Y175-F262 HydrophobicContact CD1-CZ 4.46Å; Y175-F262 HydrophobicContact CG-CE1 4.22Å; V183-F262 HydrophobicContact CG1-CE2 4.14Å; V183-F262 HydrophobicContact CG1-CZ 4.13Å; V185-F262 HydrophobicContact CB-CE2 4.29Å; V185-F262 HydrophobicContact CB-CZ 4.21Å; V185-F262 HydrophobicContact CG1-CD2 4.4Å; V185-F262 HydrophobicContact CG1-CE2 4.36Å; V185-F262 HydrophobicContact CG1-CZ 4.45Å; V185-F262 HydrophobicContact CG2-CE1 3.85Å; V185-F262 HydrophobicContact CG2-CE2 4.19Å; V185-F262 HydrophobicContact CG2-CZ 3.61Å; V256-F262 HydrophobicContact CG1-CB 4.19Å; Q258-F262 WeakPolarHBondContact CA-O 3.22Å; Q258-F262 PolarHBondContact OE1-O 2.78Å; Q258-F262 VanDerWaalsContact OE1-O 3.11Å; K259-F262 WeakPolarHBondContact O-CA 3.48Å; K259-F262 PolarHBondContact O-N 2.81Å; D260-F262 PolarHBondContact O-N 2.82Å; F262-N264 PolarHBondContact O-N 2.76Å; F262-G265 CarbonylContact C-O 3.55Å; F262-G265 WeakPolarHBondContact CA-O 3.25Å; F262-G265 PolarHBondContact O-N 3.46Å; F262-L266 HydrophobicContact CD1-CD2 3.58Å; F262-L266 HydrophobicContact CE1-CD2 4.09Å; F262-L266 HydrophobicContact CG-CD2 4.27Å
263	A	95.4	Very high	96.1	Very high	48 Å²	48	43.4 Å²	43.4	40%	0.397	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30	-175.5	0	0	0	0	0	114.4	Q258 D260	Q258-A263 PolarHBondContact OE1-O 3.19Å; D260-A263 WeakPolarHBondContact O-CB 3.28Å; D260-A263 PolarHBondContact O-N 3.13Å
264	N	95.1	Very high	96.1	Very high	149 Å²	149	43.3 Å²	43.3	80%	0.797	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	15.4	-178.9	-64	-48.7	0	0	0	113.1	G105 F262	G105-N264 PolarHBondContact N-O 3.06Å; F262-N264 PolarHBondContact O-N 2.76Å
265	G	95.6	Very high	96.1	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.7	-157	-175	0	0	0	0	0	112.8	I103 F262	I103-G265 CarbonylContact O-C 3.58Å; I103-G265 VanDerWaalsContact O-CA 3.31Å; I103-G265 WeakPolarHBondContact O-CA 3.37Å; F262-G265 CarbonylContact C-O 3.55Å; F262-G265 WeakPolarHBondContact CA-O 3.25Å; F262-G265 PolarHBondContact O-N 3.46Å
266	L	96.4	Very high	96.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.9	176.9	-69.4	-175.1	0	0	0	109.9	S102 I103 V107 L173 V185 V256 F262 Y271 L292	S102-L266 CarbonylContact C-O 3.57Å; S102-L266 VanDerWaalsContact CA-O 3.23Å; S102-L266 WeakPolarHBondContact CA-O 3.28Å; S102-L266 WeakPolarHBondContact CB-O 3.43Å; I103-L266 HydrophobicContact CB-CB 4.24Å; I103-L266 HydrophobicContact CD1-CB 4.45Å; I103-L266 HydrophobicContact CD1-CD1 4.3Å; I103-L266 PolarHBondContact N-O 2.99Å; I103-L266 PolarHBondContact O-N 2.9Å; V107-L266 HydrophobicContact CB-CG 4.35Å; V107-L266 HydrophobicContact CG1-CD1 3.85Å; V107-L266 HydrophobicContact CG1-CG 4.09Å; V107-L266 HydrophobicContact CG2-CG 4.17Å; L173-L266 HydrophobicContact CD2-CD1 4.31Å; V185-L266 HydrophobicContact CG1-CD2 3.89Å; V185-L266 HydrophobicContact CG2-CD2 4.46Å; V256-L266 HydrophobicContact CG1-CD2 3.97Å; V256-L266 HydrophobicContact CG2-CD1 4.46Å; V256-L266 HydrophobicContact CG2-CD2 4.42Å; F262-L266 HydrophobicContact CD1-CD2 3.58Å; F262-L266 HydrophobicContact CE1-CD2 4.09Å; F262-L266 HydrophobicContact CG-CD2 4.27Å; L266-Y271 WeakPolarHBondContact CB-OH 3.34Å; L266-Y271 HydrophobicContact CD1-CE1 4.5Å; L266-Y271 HydrophobicContact CD2-CE1 4.17Å; L266-L292 HydrophobicContact CD1-CD1 3.94Å; L266-L292 HydrophobicContact CD1-CD2 4.26Å
267	P	96.1	Very high	96.1	Very high	34 Å²	34	43.3 Å²	43.3	22%	0.221	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-63.2	157.9	176.4	26.4	-34.3	0	0	0	111.6	Y175 Y271	Y175-P267 HydrophobicContact CD1-CG 4.36Å; Y175-P267 HydrophobicContact CE1-CG 3.83Å; Y175-P267 HydrophobicContact CE2-CG 4.09Å; P267-Y271 WeakPolarHBondContact CD-OH 3.47Å; P267-Y271 WeakPolarHBondContact O-CE2 3.46Å; P267-Y271 PolarHBondContact O-OH 3.11Å
268	S	95.2	Very high	96.1	Very high	60 Å²	60	45.2 Å²	45.2	42%	0.42	25%	0.25	S	S	.	.	S	Bend	trans	-62	149.1	169	52.2	0	0	0	0	110.9	V99 Y175	V99-S268 CarbonylContact O-C 3.36Å; V99-S268 VanDerWaalsContact O-CA 3.22Å; V99-S268 WeakPolarHBondContact O-CA 3.38Å; V99-S268 VanDerWaalsContact O-CB 3.3Å; V99-S268 WeakPolarHBondContact O-CB 3.45Å; Y175-S268 PolarHBondContact OH-O 3.1Å
269	G	94.7	Very high	96.2	Very high	23 Å²	23	42.7 Å²	42.7	24%	0.237	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.4	-167.8	178.2	0	0	0	0	0	112.7	V99	V99-G269 PolarHBondContact N-O 2.75Å; V99-G269 PolarHBondContact O-N 2.74Å
270	T	96.6	Very high	96.3	Very high	51 Å²	51	40 Å²	40	31%	0.313	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.6	-176.4	-54.9	0	0	0	0	110.3	I176	I176-T270 HydrophobicContact CD1-CG2 4.14Å; I176-T270 PolarHBondContact N-O 3.39Å
271	Y	97.4	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.5	173.7	-64.6	-102.6	0	0	0	110.1	H96 I97 V99 L173 T174 Y175 V185 L266 P267	H96-Y271 WeakPolarHBondContact CA-O 3.39Å; I97-Y271 PolarHBondContact N-O 3.49Å; I97-Y271 PolarHBondContact O-N 3.41Å; V99-Y271 HydrophobicContact CB-CD2 4.21Å; V99-Y271 HydrophobicContact CB-CE2 3.95Å; V99-Y271 HydrophobicContact CG2-CD2 3.68Å; V99-Y271 HydrophobicContact CG2-CE2 3.76Å; L173-Y271 HydrophobicContact CD1-CD1 4.05Å; L173-Y271 HydrophobicContact CD1-CG 4.33Å; L173-Y271 HydrophobicContact CD2-CD1 4.28Å; L173-Y271 HydrophobicContact CG-CD1 4.06Å; T174-Y271 CarbonylContact O-C 3.52Å; T174-Y271 VanDerWaalsContact O-CA 3.27Å; T174-Y271 WeakPolarHBondContact O-CA 3.44Å; Y175-Y271 HydrophobicContact CD2-CD1 4.08Å; Y175-Y271 HydrophobicContact CD2-CD2 4.27Å; Y175-Y271 AromaticContact CD2-CE1 3.58Å; Y175-Y271 HydrophobicContact CD2-CE1 3.58Å; Y175-Y271 AromaticContact CD2-CE2 3.76Å; Y175-Y271 HydrophobicContact CD2-CE2 3.76Å; Y175-Y271 HydrophobicContact CD2-CG 4.4Å; Y175-Y271 AromaticContact CD2-CZ 3.38Å; Y175-Y271 HydrophobicContact CE2-CE2 4.11Å; Y175-Y271 AromaticContact CE2-CZ 3.96Å; Y175-Y271 HydrophobicContact CG-CD1 4.49Å; Y175-Y271 AromaticContact CG-CE1 3.93Å; Y175-Y271 HydrophobicContact CG-CE1 3.93Å; V185-Y271 HydrophobicContact CG2-CD1 4.1Å; V185-Y271 HydrophobicContact CG2-CE1 3.94Å; L266-Y271 WeakPolarHBondContact CB-OH 3.34Å; L266-Y271 HydrophobicContact CD1-CE1 4.5Å; L266-Y271 HydrophobicContact CD2-CE1 4.17Å; P267-Y271 WeakPolarHBondContact CD-OH 3.47Å; P267-Y271 WeakPolarHBondContact O-CE2 3.46Å; P267-Y271 PolarHBondContact O-OH 3.11Å
272	E	97.5	Very high	96.6	Very high	32 Å²	32	34.4 Å²	34.4	15%	0.15	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.1	170.5	-176.6	179.5	74.4	0	0	108.4	V94 H96 T174 K182 V274	V94-E272 HydrophobicContact CG1-CG 3.48Å; V94-E272 VanDerWaalsContact CG1-CG 3.48Å; H96-E272 IonicContact NE2-OE2 3.54Å; T174-E272 PolarHBondContact N-O 2.69Å; T174-E272 PolarHBondContact O-N 3.03Å; K182-E272 IonicContact NZ-OE1 3.84Å; K182-E272 PolarHBondContact NZ-OE1 3.3Å; K182-E272 IonicContact NZ-OE2 2.87Å; K182-E272 PolarHBondContact NZ-OE2 3.45Å; E272-V274 HydrophobicContact CG-CG2 4.49Å
273	I	97.7	Very high	96.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	106.6	178.7	-49.4	163.3	0	0	0	106.8	V67 V94 K95 I97 F171 I172 L173 I275 F290	V67-I273 HydrophobicContact CB-CD1 4.45Å; V67-I273 HydrophobicContact CG2-CD1 3.98Å; V94-I273 WeakPolarHBondContact CA-O 3.45Å; K95-I273 HydrophobicContact CB-CB 4.46Å; K95-I273 PolarHBondContact N-O 3.36Å; K95-I273 PolarHBondContact O-N 3.03Å; I97-I273 HydrophobicContact CB-CD1 4.43Å; I97-I273 HydrophobicContact CG2-CD1 3.94Å; I97-I273 HydrophobicContact CG2-CG1 4.39Å; F171-I273 HydrophobicContact CD1-CG2 4.49Å; I172-I273 WeakPolarHBondContact O-CA 3.31Å; L173-I273 HydrophobicContact CD1-CG1 3.72Å; I273-I275 HydrophobicContact CG2-CD1 4.21Å; I273-I275 HydrophobicContact CG2-CG1 3.74Å; I273-F290 HydrophobicContact CD1-CD1 3.6Å; I273-F290 HydrophobicContact CD1-CE1 3.62Å; I273-F290 HydrophobicContact CD1-CG 4.35Å; I273-F290 HydrophobicContact CD1-CZ 4.4Å; I273-F290 HydrophobicContact CG1-CD1 4.48Å; I273-F290 HydrophobicContact CG1-CE1 4.12Å; I273-F290 HydrophobicContact CG1-CZ 4.48Å; I273-F290 HydrophobicContact CG2-CD2 4.24Å; I273-F290 HydrophobicContact CG2-CE1 4.41Å; I273-F290 HydrophobicContact CG2-CE2 4.11Å; I273-F290 HydrophobicContact CG2-CG 4.43Å; I273-F290 HydrophobicContact CG2-CZ 4.21Å
274	V	97.9	Very high	96.5	Very high	31 Å²	31	40.7 Å²	40.7	19%	0.188	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121	170.7	-176.9	0	0	0	0	108	V92 V94 F171 I172 E272	V92-V274 HydrophobicContact CG1-CG1 3.57Å; V94-V274 HydrophobicContact CG2-CG2 4.32Å; F171-V274 WeakPolarHBondContact CA-O 3.36Å; I172-V274 HydrophobicContact CB-CB 4.22Å; I172-V274 PolarHBondContact N-O 3.29Å; I172-V274 PolarHBondContact O-N 3.35Å; E272-V274 HydrophobicContact CG-CG2 4.49Å
275	I	98.5	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.2	-173.4	-52.8	168.8	0	0	0	107.9	Y69 V92 C93 K95 T170 F171 I273 Y277	Y69-I275 HydrophobicContact CD1-CD1 4.29Å; Y69-I275 HydrophobicContact CD2-CD1 4.01Å; Y69-I275 HydrophobicContact CD2-CG2 3.9Å; Y69-I275 HydrophobicContact CE2-CG2 3.95Å; Y69-I275 HydrophobicContact CG-CD1 3.72Å; V92-I275 WeakPolarHBondContact CA-O 3.34Å; C93-I275 PolarHBondContact N-O 2.73Å; C93-I275 PolarHBondContact O-N 2.88Å; K95-I275 HydrophobicContact CB-CD1 4.41Å; K95-I275 HydrophobicContact CG-CD1 4.01Å; T170-I275 WeakPolarHBondContact O-CA 3.36Å; F171-I275 HydrophobicContact CD1-CG1 4.06Å; F171-I275 HydrophobicContact CD1-CG2 4.14Å; F171-I275 HydrophobicContact CE1-CG1 4.4Å; F171-I275 HydrophobicContact CE1-CG2 3.93Å; I273-I275 HydrophobicContact CG2-CD1 4.21Å; I273-I275 HydrophobicContact CG2-CG1 3.74Å; I275-Y277 PolarHBondContact O-N 3.4Å
276	N	97.8	Very high	96.7	Very high	40 Å²	40	36.1 Å²	36.1	21%	0.214	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	106.1	166.4	-57.3	-56.4	0	0	0	107.9	V92 D169 T170 F278	V92-N276 VanDerWaalsContact CG2-OD1 3.3Å; V92-N276 WeakPolarHBondContact CG2-OD1 3.1Å; D169-N276 WeakPolarHBondContact CA-O 3.41Å; D169-N276 WeakPolarHBondContact CB-O 3.35Å; T170-N276 PolarHBondContact N-O 2.94Å; T170-N276 PolarHBondContact O-N 3.2Å; T170-N276 VanDerWaalsContact OG1-CB 3.31Å; T170-N276 WeakPolarHBondContact OG1-CB 3.4Å; T170-N276 PolarHBondContact OG1-ND2 3.28Å; N276-F278 HydrophobicContact CB-CD2 4.07Å; N276-F278 HydrophobicContact CB-CE2 3.55Å; N276-F278 HydrophobicContact CB-CZ 4.33Å
277	Y	97.8	Very high	96.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	107.8	-171.1	-166.3	-70.8	0	0	0	109.1	Y69 T70 C72 C81 I85 C91 I275 K288	Y69-Y277 HydrophobicContact CD2-CD2 4.08Å; Y69-Y277 HydrophobicContact CD2-CE2 4.13Å; Y69-Y277 HydrophobicContact CE2-CD2 4.37Å; Y69-Y277 HydrophobicContact CE2-CE2 4.45Å; Y69-Y277 WeakPolarHBondContact O-CE2 3.45Å; T70-Y277 PolarHBondContact O-OH 3.4Å; T70-Y277 VanDerWaalsContact O-OH 3.09Å; C72-Y277 HydrophobicContact CB-CD2 4.44Å; C81-Y277 HydrophobicContact CB-CD1 3.71Å; C81-Y277 HydrophobicContact CB-CD2 3.92Å; C81-Y277 HydrophobicContact CB-CE1 4.14Å; C81-Y277 HydrophobicContact CB-CE2 4.32Å; C81-Y277 HydrophobicContact CB-CG 3.6Å; I85-Y277 HydrophobicContact CD1-CD1 3.91Å; I85-Y277 HydrophobicContact CD1-CE1 3.7Å; I85-Y277 HydrophobicContact CG1-CE1 4.47Å; I85-Y277 HydrophobicContact CG2-CD1 4.14Å; I85-Y277 WeakPolarHBondContact CG2-O 3.44Å; C91-Y277 PolarHBondContact O-N 2.73Å; I275-Y277 PolarHBondContact O-N 3.4Å; Y277-K288 VanDerWaalsContact CE1-NZ 3.28Å; Y277-K288 VanDerWaalsContact OH-CE 3.27Å; Y277-K288 WeakPolarHBondContact OH-CE 3.28Å
278	F	96.7	Very high	97	Very high	89 Å²	89	39.3 Å²	39.3	39%	0.39	23%	0.234	S	C	.	.			trans	-125.7	-27.7	-179.2	-67.7	-64.8	0	0	0	113.5	P90 N168 D169 N276 P280	P90-F278 HydrophobicContact CB-CE1 4.23Å; N168-F278 WeakPolarHBondContact O-CD2 3.31Å; N168-F278 WeakPolarHBondContact OD1-CB 3.45Å; D169-F278 PolarHBondContact OD1-N 3.19Å; N276-F278 HydrophobicContact CB-CD2 4.07Å; N276-F278 HydrophobicContact CB-CE2 3.55Å; N276-F278 HydrophobicContact CB-CZ 4.33Å; F278-P280 VanDerWaalsContact O-CD 3.27Å; F278-P280 WeakPolarHBondContact O-CD 3.42Å
279	Y	97.2	Very high	97.1	Very high	17 Å²	17	39.7 Å²	39.7	7%	0.067	23%	0.228	C	C	.	.			trans	-87.6	111.1	-171.3	-158.1	-103.8	0	0	0	111.5	L113 F116 S165 I166 F167 N168 D169 W240 V281 K288	L113-Y279 HydrophobicContact CD1-CE1 3.98Å; L113-Y279 HydrophobicContact CD2-CD1 4.39Å; L113-Y279 HydrophobicContact CD2-CE1 4.41Å; F116-Y279 HydrophobicContact CE2-CE1 4.1Å; F116-Y279 WeakPolarHBondContact CE2-OH 3.38Å; F116-Y279 WeakPolarHBondContact CZ-OH 3.48Å; S165-Y279 VanDerWaalsContact O-CE2 3.25Å; S165-Y279 WeakPolarHBondContact O-CE2 3.29Å; S165-Y279 PolarHBondContact O-OH 2.86Å; I166-Y279 WeakPolarHBondContact O-CE2 3.49Å; F167-Y279 AromaticContact CD2-CD1 3.9Å; F167-Y279 HydrophobicContact CD2-CD1 3.9Å; F167-Y279 HydrophobicContact CD2-CD2 4.28Å; F167-Y279 HydrophobicContact CD2-CE1 4.32Å; F167-Y279 AromaticContact CD2-CG 3.87Å; F167-Y279 HydrophobicContact CD2-CG 3.87Å; F167-Y279 HydrophobicContact CE2-CD1 4.29Å; F167-Y279 HydrophobicContact CE2-CG 4.28Å; N168-Y279 WeakPolarHBondContact OD1-CA 3.38Å; N168-Y279 WeakPolarHBondContact OD1-CB 3.38Å; N168-Y279 WeakPolarHBondContact OD1-CD2 3.24Å; N168-Y279 PolarHBondContact OD1-N 2.67Å; D169-Y279 WeakPolarHBondContact OD1-CB 3.5Å; D169-Y279 PolarHBondContact OD1-N 2.96Å; W240-Y279 WeakPolarHBondContact CH2-OH 3.46Å; Y279-V281 HydrophobicContact CD1-CG1 3.77Å; Y279-V281 HydrophobicContact CE1-CG1 4.12Å; Y279-K288 WeakPolarHBondContact O-CE 3.44Å; Y279-K288 PolarHBondContact O-NZ 2.88Å
280	P	96.8	Very high	97.3	Very high	71 Å²	71	38.7 Å²	38.7	46%	0.461	22%	0.217	S	C	.	.			trans	-80.8	130.5	-178.5	32.3	-33.3	0	0	0	111.1	I85 F278	I85-P280 HydrophobicContact CD1-CB 3.93Å; F278-P280 VanDerWaalsContact O-CD 3.27Å; F278-P280 WeakPolarHBondContact O-CD 3.42Å
281	V	97.4	Very high	97.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.204	C	C	.	.			trans	-129.1	-12.6	176.4	-59.2	0	0	0	0	114.2	T70 L113 Y279 S283 F284 G285 G286 K288	T70-V281 HydrophobicContact CG2-CG2 3.93Å; L113-V281 HydrophobicContact CD2-CG1 4.15Å; Y279-V281 HydrophobicContact CD1-CG1 3.77Å; Y279-V281 HydrophobicContact CE1-CG1 4.12Å; V281-S283 VanDerWaalsContact C-N 3.33Å; V281-S283 PolarHBondContact O-N 2.81Å; V281-F284 HydrophobicContact CB-CE1 4.31Å; V281-F284 HydrophobicContact CB-CE2 4.14Å; V281-F284 HydrophobicContact CB-CZ 3.72Å; V281-F284 HydrophobicContact CG1-CZ 3.84Å; V281-F284 PolarHBondContact O-N 3.02Å; V281-G285 PolarHBondContact O-N 3.14Å; V281-G286 VanDerWaalsContact CG2-O 3.23Å; V281-G286 WeakPolarHBondContact CG2-O 3.41Å; V281-G286 PolarHBondContact O-N 3.46Å; V281-K288 HydrophobicContact CB-CG 4.36Å; V281-K288 HydrophobicContact CG1-CD 3.92Å; V281-K288 HydrophobicContact CG1-CG 3.75Å; V281-K288 HydrophobicContact CG2-CD 4.16Å; V281-K288 HydrophobicContact CG2-CG 3.65Å
282	T	94.8	Very high	97.3	Very high	66 Å²	66	36.6 Å²	36.6	41%	0.405	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-67.9	-31.9	-171.9	49.1	0	0	0	0	112.7	F284 G285	T282-F284 PolarHBondContact O-N 3.11Å; T282-G285 PolarHBondContact O-N 2.71Å
283	S	94.6	Very high	97.3	Very high	109 Å²	109	35.1 Å²	35.1	76%	0.762	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-61.5	-24.6	-178.7	56	0	0	0	0	114.2	V281	V281-S283 VanDerWaalsContact C-N 3.33Å; V281-S283 PolarHBondContact O-N 2.81Å
284	F	95.7	Very high	97.2	Very high	78 Å²	78	35.7 Å²	35.7	34%	0.342	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-116.4	16.6	175.6	57.5	-95.4	0	0	0	112.5	N115 F116 V281 T282 G286	N115-F284 PolarHBondContact ND2-O 3.27Å; F116-F284 HydrophobicContact CD2-CE2 4.09Å; F116-F284 AromaticContact CD2-CZ 3.8Å; F116-F284 HydrophobicContact CD2-CZ 3.8Å; F116-F284 HydrophobicContact CE2-CZ 4.28Å; V281-F284 HydrophobicContact CB-CE1 4.31Å; V281-F284 HydrophobicContact CB-CE2 4.14Å; V281-F284 HydrophobicContact CB-CZ 3.72Å; V281-F284 HydrophobicContact CG1-CZ 3.84Å; V281-F284 PolarHBondContact O-N 3.02Å; T282-F284 PolarHBondContact O-N 3.11Å; F284-G286 PolarHBondContact O-N 2.73Å
285	G	97	Very high	97.1	Very high	53 Å²	53	35.9 Å²	35.9	55%	0.546	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	25.9	-179.8	0	0	0	0	0	114.2	V281 T282	V281-G285 PolarHBondContact O-N 3.14Å; T282-G285 PolarHBondContact O-N 2.71Å
286	G	97.9	Very high	96.9	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.031	22%	0.215	C	C	.	.			trans	-76.3	160.3	173.5	0	0	0	0	0	112.4	S114 V281 F284	S114-G286 WeakPolarHBondContact O-CA 3.45Å; V281-G286 VanDerWaalsContact CG2-O 3.23Å; V281-G286 WeakPolarHBondContact CG2-O 3.41Å; V281-G286 PolarHBondContact O-N 3.46Å; F284-G286 PolarHBondContact O-N 2.73Å
287	R	98.3	Very high	96.7	Very high	101 Å²	101	44.1 Å²	44.1	38%	0.381	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.5	173.8	-52.1	-171.9	67	97.2	18.7	111	D68 T70 D71 L113 S114	D68-R287 VanDerWaalsContact CG-NH2 3.32Å; D68-R287 IonicContact OD1-CZ 3.92Å; D68-R287 IonicContact OD1-NE 2.87Å; D68-R287 IonicContact OD1-NH2 3.19Å; D68-R287 PolarHBondContact OD1-NH2 3.3Å; D68-R287 IonicContact OD2-CZ 2.69Å; D68-R287 IonicContact OD2-NE 2.68Å; D68-R287 PolarHBondContact OD2-NE 3.13Å; D68-R287 IonicContact OD2-NH2 3.74Å; D68-R287 PolarHBondContact OD2-NH2 2.81Å; T70-R287 HydrophobicContact CG2-CB 4.43Å; T70-R287 VanDerWaalsContact OG1-CA 3.28Å; T70-R287 WeakPolarHBondContact OG1-CA 3.45Å; T70-R287 VanDerWaalsContact OG1-CB 3.31Å; T70-R287 WeakPolarHBondContact OG1-CB 3.41Å; D71-R287 IonicContact OD2-CZ 3.3Å; D71-R287 IonicContact OD2-NH1 3.35Å; D71-R287 IonicContact OD2-NH2 3.18Å; D71-R287 PolarHBondContact OD2-NH2 3.17Å; L113-R287 WeakPolarHBondContact CA-O 3.31Å; S114-R287 PolarHBondContact N-O 3.29Å; S114-R287 PolarHBondContact O-N 3.49Å; S114-R287 WeakPolarHBondContact OG-CA 3.43Å; S114-R287 WeakPolarHBondContact OG-CB 3.27Å; S114-R287 PolarHBondContact OG-N 2.89Å
288	K	98.5	Very high	96.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.5	179.5	-55.9	-166.3	-69.2	-178.1	0	111.1	Y69 T70 G112 L113 D169 Y277 Y279 V281	Y69-K288 HydrophobicContact CD1-CB 4.38Å; Y69-K288 HydrophobicContact CD2-CB 4.19Å; Y69-K288 HydrophobicContact CE1-CB 3.88Å; Y69-K288 HydrophobicContact CE2-CB 3.65Å; Y69-K288 HydrophobicContact CE2-CD 3.91Å; Y69-K288 VanDerWaalsContact CE2-CE 3.47Å; Y69-K288 HydrophobicContact CE2-CG 4.4Å; Y69-K288 VanDerWaalsContact CZ-CB 3.45Å; Y69-K288 PolarHBondContact N-O 2.89Å; T70-K288 PolarHBondContact OG1-N 3.15Å; T70-K288 PolarHBondContact OG1-O 3.49Å; G112-K288 WeakPolarHBondContact O-CA 3.34Å; L113-K288 HydrophobicContact CD2-CD 4.43Å; L113-K288 HydrophobicContact CD2-CG 3.88Å; D169-K288 IonicContact OD1-NZ 2.94Å; D169-K288 PolarHBondContact OD1-NZ 2.9Å; D169-K288 WeakPolarHBondContact OD2-CD 3.15Å; D169-K288 WeakPolarHBondContact OD2-CE 3.4Å; D169-K288 IonicContact OD2-NZ 3.52Å; D169-K288 PolarHBondContact OD2-NZ 3.06Å; Y277-K288 VanDerWaalsContact CE1-NZ 3.28Å; Y277-K288 VanDerWaalsContact OH-CE 3.27Å; Y277-K288 WeakPolarHBondContact OH-CE 3.28Å; Y279-K288 WeakPolarHBondContact O-CE 3.44Å; Y279-K288 PolarHBondContact O-NZ 2.88Å; V281-K288 HydrophobicContact CB-CG 4.36Å; V281-K288 HydrophobicContact CG1-CD 3.92Å; V281-K288 HydrophobicContact CG1-CG 3.75Å; V281-K288 HydrophobicContact CG2-CD 4.16Å; V281-K288 HydrophobicContact CG2-CG 3.65Å
289	K	98.3	Very high	96.3	Very high	69 Å²	69	43.9 Å²	43.9	30%	0.3	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.8	-175.7	-59	176.1	176	-167.6	0	110	L66 V67 Y111 G112 I291	L66-K289 HydrophobicContact CD1-CD 3.96Å; L66-K289 HydrophobicContact CD2-CB 4.29Å; L66-K289 HydrophobicContact CD2-CD 3.96Å; L66-K289 HydrophobicContact CD2-CG 4.13Å; L66-K289 HydrophobicContact CG-CB 4.31Å; L66-K289 HydrophobicContact CG-CD 4.28Å; V67-K289 CarbonylContact O-C 3.51Å; V67-K289 WeakPolarHBondContact O-CA 3.27Å; Y111-K289 CarbonylContact C-O 3.53Å; Y111-K289 WeakPolarHBondContact CA-O 3.28Å; G112-K289 PolarHBondContact N-O 3.47Å; G112-K289 PolarHBondContact O-N 3.38Å; K289-I291 HydrophobicContact CB-CD1 4.48Å; K289-I291 HydrophobicContact CB-CG1 4.33Å
290	F	98.2	Very high	96.1	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130	169.2	173.8	-89.3	0	0	0	107.2	L66 V67 Y69 L109 F171 L173 I273 L292	L66-F290 WeakPolarHBondContact CA-O 3.5Å; V67-F290 HydrophobicContact CB-CB 4.38Å; V67-F290 PolarHBondContact N-O 3.49Å; V67-F290 PolarHBondContact O-N 3.05Å; Y69-F290 HydrophobicContact CD1-CB 3.85Å; Y69-F290 HydrophobicContact CE1-CB 3.92Å; L109-F290 HydrophobicContact CD1-CE2 3.6Å; L109-F290 HydrophobicContact CD1-CZ 3.76Å; L109-F290 HydrophobicContact CD2-CD2 4.21Å; L109-F290 HydrophobicContact CD2-CE2 3.7Å; L109-F290 HydrophobicContact CD2-CZ 4.45Å; L109-F290 HydrophobicContact CG-CD2 4.46Å; L109-F290 HydrophobicContact CG-CE2 3.6Å; L109-F290 HydrophobicContact CG-CZ 3.85Å; F171-F290 HydrophobicContact CB-CD2 4.17Å; F171-F290 HydrophobicContact CB-CE2 3.74Å; F171-F290 AromaticContact CD1-CD2 3.49Å; F171-F290 HydrophobicContact CD1-CD2 3.49Å; F171-F290 VanDerWaalsContact CD1-CD2 3.49Å; F171-F290 AromaticContact CD1-CE2 3.96Å; F171-F290 HydrophobicContact CD1-CE2 3.96Å; F171-F290 HydrophobicContact CD2-CD2 4.14Å; F171-F290 HydrophobicContact CD2-CE2 4.28Å; F171-F290 HydrophobicContact CE1-CB 4.46Å; F171-F290 AromaticContact CE1-CD2 3.84Å; F171-F290 HydrophobicContact CE1-CD2 3.84Å; F171-F290 HydrophobicContact CE2-CD2 4.44Å; F171-F290 AromaticContact CG-CD2 3.65Å; F171-F290 HydrophobicContact CG-CD2 3.65Å; F171-F290 AromaticContact CG-CE2 3.73Å; F171-F290 HydrophobicContact CG-CE2 3.73Å; F171-F290 HydrophobicContact CZ-CD2 4.3Å; L173-F290 HydrophobicContact CD1-CZ 4.4Å; I273-F290 HydrophobicContact CD1-CD1 3.6Å; I273-F290 HydrophobicContact CD1-CE1 3.62Å; I273-F290 HydrophobicContact CD1-CG 4.35Å; I273-F290 HydrophobicContact CD1-CZ 4.4Å; I273-F290 HydrophobicContact CG1-CD1 4.48Å; I273-F290 HydrophobicContact CG1-CE1 4.12Å; I273-F290 HydrophobicContact CG1-CZ 4.48Å; I273-F290 HydrophobicContact CG2-CD2 4.24Å; I273-F290 HydrophobicContact CG2-CE1 4.41Å; I273-F290 HydrophobicContact CG2-CE2 4.11Å; I273-F290 HydrophobicContact CG2-CG 4.43Å; I273-F290 HydrophobicContact CG2-CZ 4.21Å; F290-L292 HydrophobicContact CE1-CD1 3.73Å; F290-L292 HydrophobicContact CE1-CD2 4.17Å; F290-L292 HydrophobicContact CE1-CG 3.55Å; F290-L292 HydrophobicContact CZ-CD1 4.21Å; F290-L292 HydrophobicContact CZ-CD2 4.03Å; F290-L292 HydrophobicContact CZ-CG 3.94Å
291	I	97.8	Very high	95.9	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.1	-171.4	-54.3	162	0	0	0	109	E64 Y65 L66 L109 Y110 R250 K289	E64-I291 HydrophobicContact CG-CG2 3.8Å; Y65-I291 VanDerWaalsContact O-CA 3.31Å; Y65-I291 WeakPolarHBondContact O-CA 3.5Å; L66-I291 HydrophobicContact CD1-CD1 4.45Å; L66-I291 HydrophobicContact CD1-CG1 4.2Å; L66-I291 HydrophobicContact CG-CG1 4.08Å; L109-I291 WeakPolarHBondContact CA-O 3.4Å; Y110-I291 PolarHBondContact N-O 3.44Å; Y110-I291 PolarHBondContact O-N 2.92Å; R250-I291 HydrophobicContact CB-CD1 4.06Å; K289-I291 HydrophobicContact CB-CD1 4.48Å; K289-I291 HydrophobicContact CB-CG1 4.33Å
292	L	97.2	Very high	95.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.3	166.8	-69.6	168.9	0	0	0	108.4	E64 Y65 I103 L109 L173 L266 F290	E64-L292 WeakPolarHBondContact CA-O 3.48Å; Y65-L292 PolarHBondContact N-O 2.92Å; Y65-L292 PolarHBondContact O-N 2.79Å; I103-L292 HydrophobicContact CD1-CB 4.06Å; L109-L292 HydrophobicContact CB-CD2 4.09Å; L109-L292 HydrophobicContact CD1-CD2 4.33Å; L109-L292 HydrophobicContact CG-CD2 4.09Å; L173-L292 HydrophobicContact CD1-CD1 4.37Å; L173-L292 HydrophobicContact CD2-CD1 3.87Å; L173-L292 HydrophobicContact CD2-CD2 4.16Å; L266-L292 HydrophobicContact CD1-CD1 3.94Å; L266-L292 HydrophobicContact CD1-CD2 4.26Å; F290-L292 HydrophobicContact CE1-CD1 3.73Å; F290-L292 HydrophobicContact CE1-CD2 4.17Å; F290-L292 HydrophobicContact CE1-CG 3.55Å; F290-L292 HydrophobicContact CZ-CD1 4.21Å; F290-L292 HydrophobicContact CZ-CD2 4.03Å; F290-L292 HydrophobicContact CZ-CG 3.94Å
293	A	96.9	Very high	95.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.3	178.3	0	0	0	0	0	111.7	V63 E64 Y108 Y110	V63-A293 WeakPolarHBondContact O-CA 3.32Å; E64-A293 HydrophobicContact CB-CB 4.09Å; E64-A293 HydrophobicContact CG-CB 4.07Å; Y108-A293 PolarHBondContact N-O 3.35Å; Y108-A293 PolarHBondContact O-N 3.36Å; Y110-A293 HydrophobicContact CE2-CB 4.41Å
294	N	96.8	Very high	95.9	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	177.5	159.5	70.4	-37.8	0	0	0	110.8	V62 V63 I103 P104 P106	V62-N294 WeakPolarHBondContact CA-OD1 3.44Å; V62-N294 VanDerWaalsContact CG1-O 3.32Å; V62-N294 WeakPolarHBondContact CG1-O 3.29Å; V62-N294 WeakPolarHBondContact CG1-OD1 3.32Å; V63-N294 PolarHBondContact N-OD1 2.92Å; V63-N294 PolarHBondContact O-N 2.61Å; V63-N294 PolarHBondContact O-OD1 3.34Å; V63-N294 VanDerWaalsContact O-OD1 3.1Å; I103-N294 HydrophobicContact CG2-CB 3.9Å; P104-N294 WeakPolarHBondContact CG-ND2 3.42Å; P104-N294 WeakPolarHBondContact O-CB 3.23Å; P106-N294 WeakPolarHBondContact O-CA 3.4Å
295	A	94.4	Very high	96	Very high	35 Å²	35	47.7 Å²	47.7	29%	0.289	27%	0.266	S	S	.	.			trans	-128.9	149.5	173.4	0	0	0	0	0	110.8	Y108	Y108-A295 HydrophobicContact CD2-CB 4.23Å; Y108-A295 HydrophobicContact CE2-CB 3.73Å
296	S	93.9	Very high	96	Very high	28 Å²	28	45.2 Å²	45.2	20%	0.196	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-102.3	179.9	167.7	70.6	0	0	0	0	110.2	T58 L298 G299	T58-S296 WeakPolarHBondContact CG2-OG 3.11Å; S296-L298 PolarHBondContact O-N 2.92Å; S296-L298 PolarHBondContact OG-N 2.81Å; S296-G299 PolarHBondContact N-O 3.49Å; S296-G299 WeakPolarHBondContact O-CA 3.3Å; S296-G299 PolarHBondContact O-N 3.16Å; S296-G299 PolarHBondContact OG-O 2.91Å
297	W	94	Very high	96	Very high	184 Å²	184	48.6 Å²	48.6	70%	0.697	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.7	171.4	69.9	-92.8	0	0	0	113.1	V54 L55 T58 G299	V54-W297 HydrophobicContact CG1-CZ2 4.5Å; L55-W297 HydrophobicContact CD2-CH2 3.84Å; L55-W297 HydrophobicContact CD2-CZ2 4.15Å; T58-W297 VanDerWaalsContact CG2-NE1 3.35Å; T58-W297 PolarHBondContact OG1-NE1 3.42Å; W297-G299 VanDerWaalsContact C-N 3.29Å
298	L	93.3	Very high	96	Very high	57 Å²	57	48 Å²	48	30%	0.298	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.7	174.8	-163.8	66.7	0	0	0	112.5	L55 T58 S296	L55-L298 HydrophobicContact CD2-CD1 3.66Å; L55-L298 HydrophobicContact CD2-CD2 3.8Å; L55-L298 HydrophobicContact CD2-CG 4.37Å; T58-L298 HydrophobicContact CG2-CB 4.2Å; S296-L298 PolarHBondContact O-N 2.92Å; S296-L298 PolarHBondContact OG-N 2.81Å
299	G	93.3	Very high	96	Very high	28 Å²	28	48.8 Å²	48.8	29%	0.289	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	96.1	-141.6	-169.5	0	0	0	0	0	112	S296 W297	S296-G299 PolarHBondContact N-O 3.49Å; S296-G299 WeakPolarHBondContact O-CA 3.3Å; S296-G299 PolarHBondContact O-N 3.16Å; S296-G299 PolarHBondContact OG-O 2.91Å; W297-G299 VanDerWaalsContact C-N 3.29Å
300	G	92.2	Very high	96	Very high	34 Å²	34	47.6 Å²	47.6	35%	0.351	26%	0.262	S	S	.	.	S	Bend	trans	-78.1	-176.8	-178.1	0	0	0	0	0	114.2	N302	G300-N302 PolarHBondContact O-N 2.85Å
301	K	93.6	Very high	96	Very high	93 Å²	93	52.1 Å²	52.1	40%	0.404	29%	0.285	S	S	.	.			trans	-66.4	112.5	178.9	-172.5	170.9	-172.2	166.2	0	110.9	V62 E64	V62-K301 HydrophobicContact CB-CB 4.05Å; V62-K301 HydrophobicContact CG1-CB 3.91Å; E64-K301 HydrophobicContact CB-CD 4.47Å
302	N	94.9	Very high	96	Very high	87 Å²	87	54.2 Å²	54.2	47%	0.465	30%	0.299	S	S	.	.			trans	-151.4	96.8	174.1	-172.5	-15.4	0	0	0	111.2	S59 G300 T304	S59-N302 PolarHBondContact OG-N 2.84Å; S59-N302 PolarHBondContact OG-O 2.77Å; G300-N302 PolarHBondContact O-N 2.85Å; N302-T304 VanDerWaalsContact C-N 3.27Å; N302-T304 PolarHBondContact O-N 2.87Å; N302-T304 VanDerWaalsContact OD1-CB 3.25Å; N302-T304 WeakPolarHBondContact OD1-CB 3.39Å; N302-T304 PolarHBondContact OD1-N 2.96Å; N302-T304 VanDerWaalsContact OD1-N 3.1Å; N302-T304 PolarHBondContact OD1-OG1 2.91Å
303	P	95.8	Very high	96	Very high	45 Å²	45	54.2 Å²	54.2	29%	0.292	30%	0.299	S	S	.	.			trans	-77.2	-12.6	-177.3	32.1	-36.1	0	0	0	113.2	L56 L305 G306 I307	L56-P303 HydrophobicContact CD1-CB 3.69Å; P303-L305 PolarHBondContact O-N 2.87Å; P303-G306 PolarHBondContact O-N 2.72Å; P303-I307 HydrophobicContact CB-CD1 4.02Å; P303-I307 HydrophobicContact CG-CD1 4.47Å; P303-I307 WeakPolarHBondContact O-CG1 3.37Å; P303-I307 PolarHBondContact O-N 2.93Å
304	T	96.8	Very high	96.1	Very high	78 Å²	78	57 Å²	57	48%	0.479	32%	0.318	S	S	.	.	H	α-helix	trans	-58.7	-44.8	-170.4	-58.8	0	0	0	0	112.4	N302 G306 I307 I308	N302-T304 VanDerWaalsContact C-N 3.27Å; N302-T304 PolarHBondContact O-N 2.87Å; N302-T304 VanDerWaalsContact OD1-CB 3.25Å; N302-T304 WeakPolarHBondContact OD1-CB 3.39Å; N302-T304 PolarHBondContact OD1-N 2.96Å; N302-T304 VanDerWaalsContact OD1-N 3.1Å; N302-T304 PolarHBondContact OD1-OG1 2.91Å; T304-G306 PolarHBondContact O-N 3.04Å; T304-I307 PolarHBondContact O-N 2.71Å; T304-I308 HydrophobicContact CG2-CD1 3.73Å; T304-I308 HydrophobicContact CG2-CG1 4.36Å; T304-I308 WeakPolarHBondContact O-CB 3.5Å; T304-I308 VanDerWaalsContact O-CG1 3.29Å; T304-I308 WeakPolarHBondContact O-CG1 3.24Å; T304-I308 PolarHBondContact O-N 3.29Å
305	L	95.8	Very high	96.2	Very high	85 Å²	85	60.7 Å²	60.7	45%	0.445	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-44.1	-179	-173.7	65.8	0	0	0	111.4	L55 P303 I308 C309	L55-L305 HydrophobicContact CD1-CD2 3.9Å; L55-L305 HydrophobicContact CD1-CG 3.93Å; L55-L305 HydrophobicContact CD2-CD2 4.4Å; P303-L305 PolarHBondContact O-N 2.87Å; L305-I308 PolarHBondContact O-N 3.23Å; L305-C309 PolarHBondContact O-N 3.05Å; L305-C309 PolarHBondContact O-SG 2.71Å; L305-C309 VanDerWaalsContact O-SG 3.36Å
306	G	97.5	Very high	96.3	Very high	1 Å²	1	61 Å²	61	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-46.4	175.8	0	0	0	0	0	112.2	P303 T304 I308 C309 L310	P303-G306 PolarHBondContact O-N 2.72Å; T304-G306 PolarHBondContact O-N 3.04Å; G306-I308 PolarHBondContact O-N 3.35Å; G306-C309 PolarHBondContact O-N 3.43Å; G306-L310 WeakPolarHBondContact O-CG 3.08Å; G306-L310 PolarHBondContact O-N 2.84Å
307	I	98.2	Very high	96.5	Very high	74 Å²	74	61.9 Å²	61.9	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-45.2	177.4	-67.2	167.1	0	0	0	111.3	L56 P303 T304 C309 L310 I311	L56-I307 HydrophobicContact CD1-CG1 4.31Å; P303-I307 HydrophobicContact CB-CD1 4.02Å; P303-I307 HydrophobicContact CG-CD1 4.47Å; P303-I307 WeakPolarHBondContact O-CG1 3.37Å; P303-I307 PolarHBondContact O-N 2.93Å; T304-I307 PolarHBondContact O-N 2.71Å; I307-C309 PolarHBondContact O-N 2.73Å; I307-L310 PolarHBondContact O-N 3.41Å; I307-I311 HydrophobicContact CG2-CD1 3.67Å; I307-I311 HydrophobicContact CG2-CG1 4.3Å; I307-I311 WeakPolarHBondContact O-CG1 3.49Å; I307-I311 PolarHBondContact O-N 2.99Å
308	I	98.2	Very high	96.7	Very high	87 Å²	87	57.1 Å²	57.1	45%	0.446	33%	0.328	S	S	.	.	H	α-helix	trans	-60.5	-46.6	177.5	-70.9	170.1	0	0	0	110.2	T304 L305 G306 L310 I311 T312	T304-I308 HydrophobicContact CG2-CD1 3.73Å; T304-I308 HydrophobicContact CG2-CG1 4.36Å; T304-I308 WeakPolarHBondContact O-CB 3.5Å; T304-I308 VanDerWaalsContact O-CG1 3.29Å; T304-I308 WeakPolarHBondContact O-CG1 3.24Å; T304-I308 PolarHBondContact O-N 3.29Å; L305-I308 PolarHBondContact O-N 3.23Å; G306-I308 PolarHBondContact O-N 3.35Å; I308-L310 VanDerWaalsContact C-N 3.3Å; I308-L310 PolarHBondContact O-N 2.82Å; I308-I311 PolarHBondContact O-N 3.27Å; I308-T312 VanDerWaalsContact O-CB 3.28Å; I308-T312 WeakPolarHBondContact O-CB 3.12Å; I308-T312 PolarHBondContact O-N 3.05Å; I308-T312 PolarHBondContact O-OG1 3.47Å
309	C	98	Very high	96.9	Very high	17 Å²	17	58 Å²	58	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-41.2	176.6	-72.8	0	0	0	0	112.4	G52 L305 G306 I307 G313	G52-C309 VanDerWaalsContact CA-CB 3.48Å; L305-C309 PolarHBondContact O-N 3.05Å; L305-C309 PolarHBondContact O-SG 2.71Å; L305-C309 VanDerWaalsContact O-SG 3.36Å; G306-C309 PolarHBondContact O-N 3.43Å; I307-C309 PolarHBondContact O-N 2.73Å; C309-G313 WeakPolarHBondContact O-CA 3.3Å; C309-G313 PolarHBondContact O-N 2.65Å
310	L	98.4	Very high	97	Very high	44 Å²	44	56.6 Å²	56.6	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-46	177.6	-68.6	173.3	0	0	0	112.5	I49 I53 L56 G306 I307 I308 S314	I49-L310 HydrophobicContact CG2-CD2 4.23Å; I53-L310 HydrophobicContact CG1-CD2 3.82Å; L56-L310 HydrophobicContact CD2-CD1 3.81Å; G306-L310 WeakPolarHBondContact O-CG 3.08Å; G306-L310 PolarHBondContact O-N 2.84Å; I307-L310 PolarHBondContact O-N 3.41Å; I308-L310 VanDerWaalsContact C-N 3.3Å; I308-L310 PolarHBondContact O-N 2.82Å; L310-S314 WeakPolarHBondContact O-CB 2.86Å; L310-S314 PolarHBondContact O-N 3.43Å; L310-S314 PolarHBondContact O-OG 2.95Å
311	I	98.4	Very high	97.2	Very high	96 Å²	96	59.5 Å²	59.5	49%	0.492	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-51.7	178.7	-68.2	171.4	0	0	0	109.6	I307 I308 G313 S314 I315	I307-I311 HydrophobicContact CG2-CD1 3.67Å; I307-I311 HydrophobicContact CG2-CG1 4.3Å; I307-I311 WeakPolarHBondContact O-CG1 3.49Å; I307-I311 PolarHBondContact O-N 2.99Å; I308-I311 PolarHBondContact O-N 3.27Å; I311-G313 VanDerWaalsContact C-N 3.34Å; I311-G313 PolarHBondContact O-N 3.44Å; I311-S314 PolarHBondContact O-N 3.38Å; I311-I315 HydrophobicContact CG2-CD1 3.85Å; I311-I315 WeakPolarHBondContact O-CG1 3.35Å; I311-I315 PolarHBondContact O-N 3.16Å
312	T	98.3	Very high	97.3	Very high	51 Å²	51	57.4 Å²	57.4	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-44.9	179.2	-59.3	0	0	0	0	110.7	L48 I308 S314 I315 H316	L48-T312 HydrophobicContact CD1-CG2 3.83Å; I308-T312 VanDerWaalsContact O-CB 3.28Å; I308-T312 WeakPolarHBondContact O-CB 3.12Å; I308-T312 PolarHBondContact O-N 3.05Å; I308-T312 PolarHBondContact O-OG1 3.47Å; T312-S314 VanDerWaalsContact C-N 3.35Å; T312-S314 PolarHBondContact O-N 3.43Å; T312-I315 PolarHBondContact O-N 3.07Å; T312-H316 WeakPolarHBondContact CG2-CE1 3.34Å; T312-H316 WeakPolarHBondContact CG2-ND1 2.97Å; T312-H316 PolarHBondContact O-N 3.01Å; T312-H316 PolarHBondContact O-ND1 2.74Å
313	G	98.4	Very high	97.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-43.4	176.7	0	0	0	0	0	112.7	G45 C309 I311 H316 I317	G45-G313 WeakPolarHBondContact CA-O 3.44Å; C309-G313 WeakPolarHBondContact O-CA 3.3Å; C309-G313 PolarHBondContact O-N 2.65Å; I311-G313 VanDerWaalsContact C-N 3.34Å; I311-G313 PolarHBondContact O-N 3.44Å; G313-H316 WeakPolarHBondContact O-CB 3.02Å; G313-H316 PolarHBondContact O-N 3.04Å; G313-I317 WeakPolarHBondContact O-CG1 3.37Å; G313-I317 PolarHBondContact O-N 3.04Å
314	S	98	Very high	97.1	Very high	60 Å²	60	56.8 Å²	56.8	42%	0.42	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-44.9	176.5	-57.8	0	0	0	0	112.1	L310 I311 T312 H316 I317 C318	L310-S314 WeakPolarHBondContact O-CB 2.86Å; L310-S314 PolarHBondContact O-N 3.43Å; L310-S314 PolarHBondContact O-OG 2.95Å; I311-S314 PolarHBondContact O-N 3.38Å; T312-S314 VanDerWaalsContact C-N 3.35Å; T312-S314 PolarHBondContact O-N 3.43Å; S314-H316 VanDerWaalsContact C-N 3.3Å; S314-H316 PolarHBondContact O-N 2.89Å; S314-I317 PolarHBondContact O-N 2.96Å; S314-C318 PolarHBondContact O-N 2.84Å; S314-C318 PolarHBondContact O-SG 3.29Å; S314-C318 VanDerWaalsContact O-SG 3.35Å
315	I	98.3	Very high	96.9	Very high	91 Å²	91	56.4 Å²	56.4	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-42.6	175	-68.3	168.4	0	0	0	110.5	I311 T312 I317 C318 L319	I311-I315 HydrophobicContact CG2-CD1 3.85Å; I311-I315 WeakPolarHBondContact O-CG1 3.35Å; I311-I315 PolarHBondContact O-N 3.16Å; T312-I315 PolarHBondContact O-N 3.07Å; I315-I317 PolarHBondContact O-N 2.94Å; I315-C318 PolarHBondContact O-N 2.84Å; I315-L319 HydrophobicContact CG2-CD1 3.85Å; I315-L319 HydrophobicContact CG2-CG 4.27Å; I315-L319 WeakPolarHBondContact O-CB 3.36Å; I315-L319 WeakPolarHBondContact O-CG 3.39Å; I315-L319 PolarHBondContact O-N 2.82Å
316	H	98.2	Very high	96.7	Very high	41 Å²	41	55.6 Å²	55.6	19%	0.19	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-40.1	178	-79.7	69.7	0	0	0	112.2	F41 T312 G313 S314 G320	F41-H316 CarbonylContact C-O 3.52Å; F41-H316 WeakPolarHBondContact CB-O 3.32Å; F41-H316 AromaticContact CD1-CD2 3.52Å; F41-H316 WeakPolarHBondContact O-CB 3.3Å; T312-H316 WeakPolarHBondContact CG2-CE1 3.34Å; T312-H316 WeakPolarHBondContact CG2-ND1 2.97Å; T312-H316 PolarHBondContact O-N 3.01Å; T312-H316 PolarHBondContact O-ND1 2.74Å; G313-H316 WeakPolarHBondContact O-CB 3.02Å; G313-H316 PolarHBondContact O-N 3.04Å; S314-H316 VanDerWaalsContact C-N 3.3Å; S314-H316 PolarHBondContact O-N 2.89Å; H316-G320 PolarHBondContact O-N 3.21Å
317	I	97.4	Very high	96.3	Very high	46 Å²	46	58.8 Å²	58.8	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-47.3	173.9	-67.2	-173.3	0	0	0	110.8	I49 G313 S314 I315 L319 G320 I321	I49-I317 HydrophobicContact CD1-CD1 3.43Å; I49-I317 VanDerWaalsContact CD1-CD1 3.43Å; I49-I317 HydrophobicContact CD1-CG1 4.35Å; G313-I317 WeakPolarHBondContact O-CG1 3.37Å; G313-I317 PolarHBondContact O-N 3.04Å; S314-I317 PolarHBondContact O-N 2.96Å; I315-I317 PolarHBondContact O-N 2.94Å; I317-L319 PolarHBondContact O-N 3.2Å; I317-G320 PolarHBondContact O-N 2.78Å; I317-I321 HydrophobicContact CG2-CD1 3.73Å; I317-I321 HydrophobicContact CG2-CG1 4.35Å; I317-I321 WeakPolarHBondContact O-CG1 3.04Å; I317-I321 PolarHBondContact O-N 2.95Å
318	C	97.5	Very high	95.9	Very high	85 Å²	85	61.5 Å²	61.5	57%	0.574	34%	0.336	S	S	*	.	H	α-helix	trans	-58.8	-47.1	178.8	-69.8	0	0	0	0	112	S314 I315 I321 A322	S314-C318 PolarHBondContact O-N 2.84Å; S314-C318 PolarHBondContact O-SG 3.29Å; S314-C318 VanDerWaalsContact O-SG 3.35Å; I315-C318 PolarHBondContact O-N 2.84Å; C318-I321 PolarHBondContact O-N 3.35Å; C318-A322 WeakPolarHBondContact O-CB 3.17Å; C318-A322 PolarHBondContact O-N 2.02Å
319	L	97.1	Very high	95.6	Very high	74 Å²	74	62.5 Å²	62.5	39%	0.387	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-42.1	175.8	-70.1	175.6	0	0	0	111.7	F41 I315 I317 I321 A322 F323	F41-L319 HydrophobicContact CG-CB 4.44Å; I315-L319 HydrophobicContact CG2-CD1 3.85Å; I315-L319 HydrophobicContact CG2-CG 4.27Å; I315-L319 WeakPolarHBondContact O-CB 3.36Å; I315-L319 WeakPolarHBondContact O-CG 3.39Å; I315-L319 PolarHBondContact O-N 2.82Å; I317-L319 PolarHBondContact O-N 3.2Å; L319-I321 PolarHBondContact O-N 2.85Å; L319-A322 PolarHBondContact O-N 3.49Å; L319-F323 WeakPolarHBondContact O-CD2 3.27Å; L319-F323 PolarHBondContact O-N 3.31Å
320	G	96.6	Very high	94.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-57.8	-48.3	176.5	0	0	0	0	0	112.3	H316 I317 F323 L324	H316-G320 PolarHBondContact O-N 3.21Å; I317-G320 PolarHBondContact O-N 2.78Å; G320-F323 PolarHBondContact O-N 3.49Å; G320-L324 VanDerWaalsContact O-CG 3.28Å; G320-L324 WeakPolarHBondContact O-CG 3.41Å; G320-L324 PolarHBondContact O-N 2.72Å
321	I	95.5	Very high	93.7	Very high	94 Å²	94	67.9 Å²	67.9	48%	0.482	37%	0.369	S	S	.	.	H	α-helix	trans	-60.9	-46.8	174.8	-66.2	167.9	0	0	0	110.5	I317 C318 L319 F323 L324 V325	I317-I321 HydrophobicContact CG2-CD1 3.73Å; I317-I321 HydrophobicContact CG2-CG1 4.35Å; I317-I321 WeakPolarHBondContact O-CG1 3.04Å; I317-I321 PolarHBondContact O-N 2.95Å; C318-I321 PolarHBondContact O-N 3.35Å; L319-I321 PolarHBondContact O-N 2.85Å; I321-F323 PolarHBondContact O-N 3.09Å; I321-L324 PolarHBondContact O-N 3.17Å; I321-V325 HydrophobicContact CG2-CG2 4.18Å; I321-V325 VanDerWaalsContact O-CG2 3.3Å; I321-V325 WeakPolarHBondContact O-CG2 3.46Å; I321-V325 PolarHBondContact O-N 3.37Å
322	A	95.2	Very high	92	Very high	50 Å²	50	70.2 Å²	70.2	41%	0.413	38%	0.375	S	S	.	.	H	α-helix	trans	-59	-45.9	179.3	0	0	0	0	0	112.3	C318 L319 L324 V325 V326	C318-A322 WeakPolarHBondContact O-CB 3.17Å; C318-A322 PolarHBondContact O-N 2.02Å; L319-A322 PolarHBondContact O-N 3.49Å; A322-L324 VanDerWaalsContact C-N 3.35Å; A322-L324 PolarHBondContact O-N 3.19Å; A322-V325 PolarHBondContact O-N 2.95Å; A322-V326 WeakPolarHBondContact O-CG2 3.29Å; A322-V326 PolarHBondContact O-N 3.3Å
323	F	95.1	Very high	90.2	Very high	73 Å²	73	75.1 Å²	75.1	32%	0.32	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-39.8	176.2	-82.2	-62.9	0	0	0	112.7	A34 F41 L319 G320 I321 H327	A34-F323 HydrophobicContact CB-CD1 4.36Å; F41-F323 AromaticContact CD2-CD2 3.63Å; F41-F323 HydrophobicContact CD2-CD2 3.63Å; F41-F323 AromaticContact CD2-CE2 3.61Å; F41-F323 HydrophobicContact CD2-CE2 3.61Å; F41-F323 AromaticContact CE2-CD2 3.94Å; F41-F323 HydrophobicContact CE2-CD2 3.94Å; F41-F323 AromaticContact CE2-CE2 3.41Å; F41-F323 HydrophobicContact CE2-CE2 3.41Å; F41-F323 VanDerWaalsContact CE2-CE2 3.41Å; F41-F323 HydrophobicContact CE2-CZ 4.24Å; F41-F323 HydrophobicContact CZ-CE2 4.4Å; L319-F323 WeakPolarHBondContact O-CD2 3.27Å; L319-F323 PolarHBondContact O-N 3.31Å; G320-F323 PolarHBondContact O-N 3.49Å; I321-F323 PolarHBondContact O-N 3.09Å; F323-H327 VanDerWaalsContact O-CB 3.32Å; F323-H327 WeakPolarHBondContact O-CB 3.14Å; F323-H327 PolarHBondContact O-N 3.48Å
324	L	92.9	Very high	88.3	Confident	45 Å²	45	83.2 Å²	83.2	24%	0.236	42%	0.423	C	S	.	.	H	α-helix	trans	-66.5	-44.6	176.1	-69.8	173.1	0	0	0	111.1	I39 G320 I321 A322 V326 H327 F328	I39-L324 HydrophobicContact CG1-CD2 4.48Å; G320-L324 VanDerWaalsContact O-CG 3.28Å; G320-L324 WeakPolarHBondContact O-CG 3.41Å; G320-L324 PolarHBondContact O-N 2.72Å; I321-L324 PolarHBondContact O-N 3.17Å; A322-L324 VanDerWaalsContact C-N 3.35Å; A322-L324 PolarHBondContact O-N 3.19Å; L324-V326 PolarHBondContact O-N 2.91Å; L324-H327 WeakPolarHBondContact O-CB 3.49Å; L324-H327 PolarHBondContact O-N 2.83Å; L324-F328 HydrophobicContact CB-CD2 4.49Å; L324-F328 HydrophobicContact CB-CE2 4.33Å; L324-F328 WeakPolarHBondContact O-CD2 3.47Å; L324-F328 PolarHBondContact O-N 3.5Å
325	V	92.1	Very high	86.4	Confident	71 Å²	71	83.8 Å²	83.8	43%	0.43	43%	0.431	S	S	.	.	H	α-helix	trans	-58.2	-49.2	175.2	169.9	0	0	0	0	110.8	I321 A322 H327 F328 L329	I321-V325 HydrophobicContact CG2-CG2 4.18Å; I321-V325 VanDerWaalsContact O-CG2 3.3Å; I321-V325 WeakPolarHBondContact O-CG2 3.46Å; I321-V325 PolarHBondContact O-N 3.37Å; A322-V325 PolarHBondContact O-N 2.95Å; V325-H327 VanDerWaalsContact C-N 3.32Å; V325-H327 PolarHBondContact O-N 2.84Å; V325-F328 PolarHBondContact O-N 3.27Å; V325-L329 HydrophobicContact CG1-CD1 3.71Å; V325-L329 HydrophobicContact CG1-CG 4.18Å; V325-L329 WeakPolarHBondContact O-CB 3.19Å; V325-L329 VanDerWaalsContact O-CG 3.29Å; V325-L329 WeakPolarHBondContact O-CG 3.49Å; V325-L329 PolarHBondContact O-N 2.93Å
326	V	91.1	Very high	84.5	Confident	67 Å²	67	90 Å²	90	41%	0.406	45%	0.449	S	S	.	.	H	α-helix	trans	-58.9	-44.6	175.5	170.5	0	0	0	0	110.7	A322 L324 F328 L329 Y330	A322-V326 WeakPolarHBondContact O-CG2 3.29Å; A322-V326 PolarHBondContact O-N 3.3Å; L324-V326 PolarHBondContact O-N 2.91Å; V326-F328 VanDerWaalsContact C-N 3.34Å; V326-F328 PolarHBondContact O-N 3.37Å; V326-L329 PolarHBondContact O-N 2.94Å; V326-Y330 HydrophobicContact CG1-CD2 3.75Å; V326-Y330 HydrophobicContact CG1-CE2 4.08Å; V326-Y330 WeakPolarHBondContact O-CB 3.39Å; V326-Y330 WeakPolarHBondContact O-CD2 3.46Å; V326-Y330 PolarHBondContact O-N 2.04Å
327	H	90.3	Very high	82.6	Confident	69 Å²	69	95.7 Å²	95.7	32%	0.319	48%	0.475	S	S	.	.	H	α-helix	trans	-59.5	-43.1	177.2	-178.9	62.5	0	0	0	112.3	A34 F323 L324 V325 G331	A34-H327 HydrophobicContact CB-CB 4.23Å; F323-H327 VanDerWaalsContact O-CB 3.32Å; F323-H327 WeakPolarHBondContact O-CB 3.14Å; F323-H327 PolarHBondContact O-N 3.48Å; L324-H327 WeakPolarHBondContact O-CB 3.49Å; L324-H327 PolarHBondContact O-N 2.83Å; V325-H327 VanDerWaalsContact C-N 3.32Å; V325-H327 PolarHBondContact O-N 2.84Å; H327-G331 WeakPolarHBondContact O-CA 3.44Å; H327-G331 PolarHBondContact O-N 2.94Å
328	F	90.1	Very high	80.5	Confident	130 Å²	130	97.1 Å²	97.1	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-69.1	-42	177.6	-74.6	-63.5	0	0	0	112.7	L324 V325 V326 K332	L324-F328 HydrophobicContact CB-CD2 4.49Å; L324-F328 HydrophobicContact CB-CE2 4.33Å; L324-F328 WeakPolarHBondContact O-CD2 3.47Å; L324-F328 PolarHBondContact O-N 3.5Å; V325-F328 PolarHBondContact O-N 3.27Å; V326-F328 VanDerWaalsContact C-N 3.34Å; V326-F328 PolarHBondContact O-N 3.37Å; F328-K332 WeakPolarHBondContact O-CG 3.3Å; F328-K332 PolarHBondContact O-N 3.11Å
329	L	90.1	Very high	78.6	Confident	109 Å²	109	97.8 Å²	97.8	57%	0.571	49%	0.493	S	S	*	.	H	α-helix	trans	-67.6	-45.3	-179.7	-69.6	177.2	0	0	0	112.3	V325 V326	V325-L329 HydrophobicContact CG1-CD1 3.71Å; V325-L329 HydrophobicContact CG1-CG 4.18Å; V325-L329 WeakPolarHBondContact O-CB 3.19Å; V325-L329 VanDerWaalsContact O-CG 3.29Å; V325-L329 WeakPolarHBondContact O-CG 3.49Å; V325-L329 PolarHBondContact O-N 2.93Å; V326-L329 PolarHBondContact O-N 2.94Å
330	Y	83.8	Confident	76.6	Confident	138 Å²	138	99.1 Å²	99.1	54%	0.541	51%	0.506	S	S	.	.	H	α-helix	trans	-83.8	-26.4	-179.6	-73.5	-95.3	0	0	0	113	V326 R333 K334	V326-Y330 HydrophobicContact CG1-CD2 3.75Å; V326-Y330 HydrophobicContact CG1-CE2 4.08Å; V326-Y330 WeakPolarHBondContact O-CB 3.39Å; V326-Y330 WeakPolarHBondContact O-CD2 3.46Å; V326-Y330 PolarHBondContact O-N 2.04Å; Y330-R333 PolarHBondContact O-N 2.96Å; Y330-K334 PolarHBondContact O-N 3.49Å
331	G	74.3	Confident	75.1	Confident	36 Å²	36	105.6 Å²	105.6	37%	0.371	55%	0.545	S	S	.	.	H	α-helix	trans	-62.2	-41.4	172.3	0	0	0	0	0	112.3	H327 R333 K334 A335	H327-G331 WeakPolarHBondContact O-CA 3.44Å; H327-G331 PolarHBondContact O-N 2.94Å; G331-R333 VanDerWaalsContact C-N 3.31Å; G331-R333 PolarHBondContact O-N 3.31Å; G331-K334 PolarHBondContact O-N 2.98Å; G331-A335 PolarHBondContact O-N 3.04Å
332	K	61.2	Low	72.8	Confident	145 Å²	145	109.5 Å²	109.5	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-65.8	-29.4	175.4	-74.5	-175.6	-179.8	-175.5	0	113.5	F328 A335 R336	F328-K332 WeakPolarHBondContact O-CG 3.3Å; F328-K332 PolarHBondContact O-N 3.11Å; K332-A335 PolarHBondContact O-N 2.87Å; K332-R336 PolarHBondContact O-N 3.12Å; K332-R336 VanDerWaalsContact O-N 3.15Å
333	R	61	Low	70.1	Confident	153 Å²	153	116.1 Å²	116.1	58%	0.577	60%	0.602	S	S	*	*	H	α-helix	trans	-66.8	-40.7	176.9	-72.2	-177	179.5	177.6	-0.1	112	Y330 G331 A335 R336 Q337	Y330-R333 PolarHBondContact O-N 2.96Å; G331-R333 VanDerWaalsContact C-N 3.31Å; G331-R333 PolarHBondContact O-N 3.31Å; R333-A335 PolarHBondContact O-N 3.39Å; R333-R336 PolarHBondContact O-N 3.25Å; R333-Q337 PolarHBondContact O-N 3.39Å
334	K	58.1	Low	68.9	Low	171 Å²	171	118.3 Å²	118.3	74%	0.743	62%	0.616	S	S	*	*	H	α-helix	trans	-66.4	-35.2	175.3	-75.9	-169.2	175.6	-172.1	0	113	Y330 G331 R336 S338	Y330-K334 PolarHBondContact O-N 3.49Å; G331-K334 PolarHBondContact O-N 2.98Å; K334-R336 VanDerWaalsContact C-N 3.35Å; K334-S338 PolarHBondContact O-N 2.64Å; K334-S338 PolarHBondContact O-OG 3.13Å
335	A	58.3	Low	67.6	Low	71 Å²	71	122.1 Å²	122.1	59%	0.587	64%	0.636	S	S	*	*	H	α-helix	trans	-71.3	-25.8	176.1	0	0	0	0	0	113.6	G331 K332 R333 S338	G331-A335 PolarHBondContact O-N 3.04Å; K332-A335 PolarHBondContact O-N 2.87Å; R333-A335 PolarHBondContact O-N 3.39Å; A335-S338 PolarHBondContact O-OG 3.41Å
336	R	58.6	Low	66.3	Low	223 Å²	223	124.9 Å²	124.9	84%	0.842	65%	0.647	S	S	*	*	H	α-helix	trans	-85.8	-18.1	175.5	-78.2	-174.5	-177.6	175.6	-0.7	114.4	K332 R333 K334	K332-R336 PolarHBondContact O-N 3.12Å; K332-R336 VanDerWaalsContact O-N 3.15Å; R333-R336 PolarHBondContact O-N 3.25Å; K334-R336 VanDerWaalsContact C-N 3.35Å
337	Q	58.4	Low	64.8	Low	160 Å²	160	128.4 Å²	128.4	75%	0.748	66%	0.662	S	S	*	*	S	Bend	trans	-99.3	-0.6	-179.6	-72.9	179.7	-20.2	0	0	113.4	R333 P339	R333-Q337 PolarHBondContact O-N 3.39Å; Q337-P339 WeakPolarHBondContact O-CD 3.49Å
338	S	54.2	Low	63.2	Low	76 Å²	76	132.1 Å²	132.1	53%	0.531	68%	0.683	S	S	.	*	S	Bend	trans	-82	115.5	171.9	9.5	0	0	0	0	108.5	K334 A335	K334-S338 PolarHBondContact O-N 2.64Å; K334-S338 PolarHBondContact O-OG 3.13Å; A335-S338 PolarHBondContact O-OG 3.41Å
339	P	55.8	Low	61.4	Low	99 Å²	99	132.2 Å²	132.2	64%	0.643	69%	0.69	S	S	*	*			trans	-61.9	151	169.5	26.4	-31.5	0	0	0	109.4	Q337 V341	Q337-P339 WeakPolarHBondContact O-CD 3.49Å; P339-V341 PolarHBondContact O-N 3.46Å
340	P	56.8	Low	59.4	Low	101 Å²	101	133.9 Å²	133.9	66%	0.656	70%	0.699	S	S	*	*			trans	-58.8	118.8	170.2	25.6	-31	0	0	0	107.7	F342	P340-F342 VanDerWaalsContact C-N 3.29Å; P340-F342 HydrophobicContact CB-CD2 4.03Å; P340-F342 HydrophobicContact CB-CE2 3.92Å; P340-F342 HydrophobicContact CG-CD2 4.09Å; P340-F342 HydrophobicContact CG-CE2 3.88Å; P340-F342 PolarHBondContact O-N 3.22Å
341	V	64.1	Low	57.5	Low	137 Å²	137	133.5 Å²	133.5	83%	0.83	71%	0.711	S	S	*	*			trans	-70.1	97.4	166.5	-179.1	0	0	0	0	105.4	P339	P339-V341 PolarHBondContact O-N 3.46Å
342	F	48	Very low	56.1	Low	176 Å²	176	141.7 Å²	141.7	77%	0.772	74%	0.74	S	S	*	*			trans	-81.8	137.8	159.2	-81	-86.1	0	0	0	107.6	P340	P340-F342 VanDerWaalsContact C-N 3.29Å; P340-F342 HydrophobicContact CB-CD2 4.03Å; P340-F342 HydrophobicContact CB-CE2 3.92Å; P340-F342 HydrophobicContact CG-CD2 4.09Å; P340-F342 HydrophobicContact CG-CE2 3.88Å; P340-F342 PolarHBondContact O-N 3.22Å
343	S	38.5	Very low	55.6	Low	188 Å²	188	141.4 Å²	141.4	100%	1.315	75%	0.749	S	S	*	*			trans	91	0	174.6	-18.8	0	0	0	0	116.1

Retrieved 343 of 343 residues in 66.9 ms (Link to these results)

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