A0A093K211_STRCA Loading...

Alpha/beta hydrolase domain-containing protein 17C

Hydrolyzes fatty acids from S-acylated cysteine residues in proteins. Has depalmitoylating activity towards NRAS.

AlphaFold DB , UniProt , Accession A0A093K211, Species STRCA (Struthio camelus australis), Gene n/a, Length 311 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	40.1	Very low	238 Å²	238	142.3 Å²	142.3	100%	1.172	77%	0.771	S	S	*	*				0	125.2	0	-69.8	-161.2	175.6	0	0	107
2	P	36.8	Very low	41.1	Very low	129 Å²	129	134.4 Å²	134.4	84%	0.838	73%	0.734	S	S	*	*			trans	-76.9	134.9	-178.2	31.1	-29.4	0	0	0	109.8
3	E	37.7	Very low	42	Very low	198 Å²	198	134.1 Å²	134.1	93%	0.925	73%	0.73	S	S	*	*			trans	-59.4	134.5	177.5	-80.2	-178.4	125.6	0	0	111.3	G5	E3-G5 PolarHBondContact O-N 3.21Å
4	Q	42.3	Very low	42.6	Very low	148 Å²	148	127.9 Å²	127.9	69%	0.692	71%	0.713	S	S	*	*			trans	-77.9	115.4	173.8	-61.3	-168.1	17.3	0	0	108.8
5	G	48.1	Very low	43.2	Very low	51 Å²	51	125.5 Å²	125.5	53%	0.526	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-60.1	163.3	169.6	0	0	0	0	0	112.3	E3 R7	E3-G5 PolarHBondContact O-N 3.21Å; G5-R7 PolarHBondContact O-N 2.98Å
6	P	38.3	Very low	43.9	Very low	134 Å²	134	121.1 Å²	121.1	87%	0.87	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-59.9	130.2	-172.7	24.2	-33.2	0	0	0	111.3
7	R	36.4	Very low	44.5	Very low	178 Å²	178	117.5 Å²	117.5	67%	0.672	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-102.8	132.1	175.5	-62.7	-171.6	-168.9	-152.2	3.8	109.4	G5	G5-R7 PolarHBondContact O-N 2.98Å
8	M	42.5	Very low	44.9	Very low	134 Å²	134	121.8 Å²	121.8	66%	0.66	66%	0.658	S	S	*	*	B	Isolated β-bridge	trans	-125.9	130.5	170.2	-74.3	173.2	69.5	0	0	108.8	G10 F11	M8-G10 VanDerWaalsContact C-N 3.28Å; M8-G10 PolarHBondContact O-N 3.1Å; M8-G10 VanDerWaalsContact O-N 3.1Å; M8-F11 PolarHBondContact O-N 3.02Å
9	N	41.6	Very low	45.2	Very low	163 Å²	163	121.1 Å²	121.1	87%	0.872	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.9	40.2	176.5	-68.5	-8.7	0	0	0	116.7	F11	N9-F11 VanDerWaalsContact C-N 3.28Å; N9-F11 PolarHBondContact O-N 2.86Å
10	G	43.3	Very low	45.4	Very low	69 Å²	69	118.3 Å²	118.3	71%	0.711	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.5	-0.8	169.5	0	0	0	0	0	116.3	M8	M8-G10 VanDerWaalsContact C-N 3.28Å; M8-G10 PolarHBondContact O-N 3.1Å; M8-G10 VanDerWaalsContact O-N 3.1Å
11	F	41.9	Very low	45.8	Very low	123 Å²	123	116.2 Å²	116.2	54%	0.539	63%	0.629	S	S	.	*	B	Isolated β-bridge	trans	-123.8	137.9	174.8	-65.2	-77	0	0	0	111.6	M8 N9 E15	M8-F11 PolarHBondContact O-N 3.02Å; N9-F11 VanDerWaalsContact C-N 3.28Å; N9-F11 PolarHBondContact O-N 2.86Å; F11-E15 WeakPolarHBondContact CA-OE2 3.41Å; F11-E15 HydrophobicContact CD1-CB 4.28Å
12	S	52.4	Low	46.4	Very low	48 Å²	48	107.2 Å²	107.2	34%	0.336	59%	0.589	S	S	.	*			trans	-83.7	156.8	175	66.2	0	0	0	0	111.6	G14 E15 L16	S12-G14 PolarHBondContact O-N 3.39Å; S12-G14 VanDerWaalsContact O-N 3.09Å; S12-E15 WeakPolarHBondContact CB-OE2 3.38Å; S12-E15 PolarHBondContact N-OE2 3.47Å; S12-E15 PolarHBondContact O-N 2.93Å; S12-E15 WeakPolarHBondContact OG-CG 2.98Å; S12-E15 PolarHBondContact OG-N 2.89Å; S12-E15 PolarHBondContact OG-OE2 3.14Å; S12-L16 PolarHBondContact O-N 3.15Å; S12-L16 VanDerWaalsContact O-N 3.11Å
13	L	51.8	Low	46.7	Very low	130 Å²	130	106.9 Å²	106.9	68%	0.681	59%	0.587	S	S	*	*	H	α-helix	trans	-54.3	-30.4	173.7	-141.1	91.6	0	0	0	112.1	C17	L13-C17 PolarHBondContact O-N 2.62Å; L13-C17 VanDerWaalsContact O-N 3.08Å
14	G	50.8	Low	47.1	Very low	48 Å²	48	103.1 Å²	103.1	50%	0.495	58%	0.579	S	S	.	*	H	α-helix	trans	-71	-37.2	175.3	0	0	0	0	0	113.6	S12 C17 W18	S12-G14 PolarHBondContact O-N 3.39Å; S12-G14 VanDerWaalsContact O-N 3.09Å; G14-C17 PolarHBondContact O-N 3.15Å; G14-W18 PolarHBondContact O-N 3.33Å
15	E	50.9	Low	47.5	Very low	92 Å²	92	99.2 Å²	99.2	43%	0.43	57%	0.568	S	S	.	*	H	α-helix	trans	-71	-34.2	176.3	-73.8	161.1	142.4	0	0	111.8	F11 S12 W18 L19	F11-E15 WeakPolarHBondContact CA-OE2 3.41Å; F11-E15 HydrophobicContact CD1-CB 4.28Å; S12-E15 WeakPolarHBondContact CB-OE2 3.38Å; S12-E15 PolarHBondContact N-OE2 3.47Å; S12-E15 PolarHBondContact O-N 2.93Å; S12-E15 WeakPolarHBondContact OG-CG 2.98Å; S12-E15 PolarHBondContact OG-N 2.89Å; S12-E15 PolarHBondContact OG-OE2 3.14Å; E15-W18 PolarHBondContact O-N 3.4Å; E15-L19 PolarHBondContact O-N 3.28Å
16	L	55	Low	47.6	Very low	55 Å²	55	98.2 Å²	98.2	29%	0.288	55%	0.552	S	S	.	*	H	α-helix	trans	-64.3	-46.1	168.9	-88	137.8	0	0	0	111.8	S12 W18 L19 F20	S12-L16 PolarHBondContact O-N 3.15Å; S12-L16 VanDerWaalsContact O-N 3.11Å; L16-W18 PolarHBondContact O-N 3.18Å; L16-L19 PolarHBondContact O-N 3.15Å; L16-F20 HydrophobicContact CD2-CD2 3.96Å; L16-F20 HydrophobicContact CD2-CE2 3.69Å; L16-F20 WeakPolarHBondContact O-CB 3.07Å; L16-F20 VanDerWaalsContact O-CD2 3.28Å; L16-F20 WeakPolarHBondContact O-CD2 3.29Å; L16-F20 PolarHBondContact O-N 3.4Å
17	C	53.4	Low	48.1	Very low	59 Å²	59	96.3 Å²	96.3	40%	0.399	54%	0.542	S	S	.	.	H	α-helix	trans	-57.3	-35.7	170.9	-92.8	0	0	0	0	112.1	L13 G14 C21	L13-C17 PolarHBondContact O-N 2.62Å; L13-C17 VanDerWaalsContact O-N 3.08Å; G14-C17 PolarHBondContact O-N 3.15Å; C17-C21 WeakPolarHBondContact O-CA 3.27Å; C17-C21 WeakPolarHBondContact O-CB 3.5Å; C17-C21 PolarHBondContact O-N 3.49Å; C17-C21 PolarHBondContact O-SG 3.12Å; C17-C21 VanDerWaalsContact O-SG 3.38Å
18	W	51.8	Low	48.7	Very low	196 Å²	196	97.1 Å²	97.1	74%	0.742	55%	0.545	S	S	*	.	H	α-helix	trans	-72.6	-38.5	178.3	-137	82	0	0	0	112.8	G14 E15 L16 C22	G14-W18 PolarHBondContact O-N 3.33Å; E15-W18 PolarHBondContact O-N 3.4Å; L16-W18 PolarHBondContact O-N 3.18Å; W18-C22 WeakPolarHBondContact O-CB 3.47Å; W18-C22 PolarHBondContact O-N 2.67Å; W18-C22 PolarHBondContact O-SG 3.23Å; W18-C22 VanDerWaalsContact O-SG 3.42Å
19	L	50.4	Low	48.9	Very low	108 Å²	108	95 Å²	95	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-68.7	-35.7	173.3	-98.8	134	0	0	0	113.1	E15 L16	E15-L19 PolarHBondContact O-N 3.28Å; L16-L19 PolarHBondContact O-N 3.15Å
20	F	51.1	Low	49.2	Very low	64 Å²	64	89.2 Å²	89.2	28%	0.281	51%	0.51	S	S	.	.	H	α-helix	trans	-100.1	-15.9	-173.5	-73.3	-88.9	0	0	0	114.9	L16 P26 F234	L16-F20 HydrophobicContact CD2-CD2 3.96Å; L16-F20 HydrophobicContact CD2-CE2 3.69Å; L16-F20 WeakPolarHBondContact O-CB 3.07Å; L16-F20 VanDerWaalsContact O-CD2 3.28Å; L16-F20 WeakPolarHBondContact O-CD2 3.29Å; L16-F20 PolarHBondContact O-N 3.4Å; F20-P26 HydrophobicContact CB-CB 4.26Å; F20-P26 HydrophobicContact CD1-CB 3.41Å; F20-P26 VanDerWaalsContact CD1-CB 3.41Å; F20-P26 HydrophobicContact CD1-CG 4.48Å; F20-P26 HydrophobicContact CE1-CB 4.04Å; F20-P26 HydrophobicContact CG-CB 4.12Å; F20-P26 WeakPolarHBondContact O-CG 3.49Å; F20-F234 HydrophobicContact CB-CB 4.49Å; F20-F234 HydrophobicContact CB-CD2 4.27Å; F20-F234 HydrophobicContact CB-CG 4.2Å; F20-F234 HydrophobicContact CD1-CD2 4.31Å; F20-F234 HydrophobicContact CG-CD2 4.3Å
21	C	52	Low	49.7	Very low	76 Å²	76	87 Å²	87	51%	0.514	49%	0.485	S	S	.	.	H	α-helix	trans	-115	-5.5	180	-52.2	0	0	0	0	114.6	C17 P23	C17-C21 WeakPolarHBondContact O-CA 3.27Å; C17-C21 WeakPolarHBondContact O-CB 3.5Å; C17-C21 PolarHBondContact O-N 3.49Å; C17-C21 PolarHBondContact O-SG 3.12Å; C17-C21 VanDerWaalsContact O-SG 3.38Å; C21-P23 WeakPolarHBondContact O-CD 3.2Å
22	C	46.8	Very low	50.3	Low	49 Å²	49	89.1 Å²	89.1	33%	0.331	49%	0.494	S	S	.	.	S	Bend	trans	-89.9	116.8	168.6	-70.1	0	0	0	0	110.6	W18	W18-C22 WeakPolarHBondContact O-CB 3.47Å; W18-C22 PolarHBondContact O-N 2.67Å; W18-C22 PolarHBondContact O-SG 3.23Å; W18-C22 VanDerWaalsContact O-SG 3.42Å
23	P	41.8	Very low	50.6	Low	122 Å²	122	93.3 Å²	93.3	79%	0.792	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	139.9	173.8	0.2	9.8	0	0	0	110.9	C21	C21-P23 WeakPolarHBondContact O-CD 3.2Å
24	P	46.8	Very low	51.5	Low	118 Å²	118	88.5 Å²	88.5	77%	0.766	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	cis	-132.1	83.7	16.1	37.9	-17.8	0	0	0	112.8
25	C	49.8	Very low	53.1	Low	67 Å²	67	86.7 Å²	86.7	45%	0.453	47%	0.47	S	S	.	.	S	Bend	trans	-149.8	-9.1	177.3	-116.8	0	0	0	0	121.9	I29	C25-I29 HydrophobicContact CB-CD1 4.18Å; C25-I29 WeakPolarHBondContact O-CD1 3.38Å; C25-I29 WeakPolarHBondContact O-CG1 3.36Å
26	P	50.2	Low	55	Low	30 Å²	30	86.9 Å²	86.9	20%	0.195	47%	0.473	C	S	.	.	H	α-helix	trans	-76.4	-44.4	-174.4	10.1	-5.2	0	0	0	113.5	F20 R28 I29 A30	F20-P26 HydrophobicContact CB-CB 4.26Å; F20-P26 HydrophobicContact CD1-CB 3.41Å; F20-P26 VanDerWaalsContact CD1-CB 3.41Å; F20-P26 HydrophobicContact CD1-CG 4.48Å; F20-P26 HydrophobicContact CE1-CB 4.04Å; F20-P26 HydrophobicContact CG-CB 4.12Å; F20-P26 WeakPolarHBondContact O-CG 3.49Å; P26-R28 PolarHBondContact O-N 3.04Å; P26-I29 PolarHBondContact O-N 2.86Å; P26-A30 VanDerWaalsContact O-CB 3.3Å; P26-A30 WeakPolarHBondContact O-CB 3.13Å; P26-A30 PolarHBondContact O-N 3.13Å
27	S	49.8	Very low	56.7	Low	94 Å²	94	86.9 Å²	86.9	66%	0.657	48%	0.476	S	S	*	.	H	α-helix	trans	-70.4	-29.8	-175.7	61.6	0	0	0	0	114.2	A31	S27-A31 WeakPolarHBondContact O-CB 3.38Å; S27-A31 PolarHBondContact O-N 3.1Å; S27-A31 VanDerWaalsContact O-N 3.08Å
28	R	47.7	Very low	58.4	Low	194 Å²	194	85.6 Å²	85.6	73%	0.732	47%	0.467	S	S	*	.	H	α-helix	trans	-76.8	-34.2	178.3	-76.2	-174.1	176.5	-179.5	0.7	112.9	P26 K32	P26-R28 PolarHBondContact O-N 3.04Å; R28-K32 WeakPolarHBondContact O-CB 3.46Å; R28-K32 WeakPolarHBondContact O-CG 3.48Å; R28-K32 PolarHBondContact O-N 3.16Å
29	I	46.5	Very low	60.4	Low	91 Å²	91	82.4 Å²	82.4	47%	0.467	46%	0.461	S	S	.	.	H	α-helix	trans	-77.5	-46.7	178.2	-63.6	172.8	0	0	0	109.5	C25 P26 A31 K32 L33	C25-I29 HydrophobicContact CB-CD1 4.18Å; C25-I29 WeakPolarHBondContact O-CD1 3.38Å; C25-I29 WeakPolarHBondContact O-CG1 3.36Å; P26-I29 PolarHBondContact O-N 2.86Å; I29-A31 VanDerWaalsContact C-N 3.33Å; I29-A31 PolarHBondContact O-N 2.94Å; I29-K32 PolarHBondContact O-N 2.98Å; I29-K32 VanDerWaalsContact O-N 3.1Å; I29-L33 HydrophobicContact CG2-CD1 3.97Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 3.01Å
30	A	48.5	Very low	62.4	Low	41 Å²	41	80.6 Å²	80.6	34%	0.339	46%	0.455	S	S	.	.	H	α-helix	trans	-59.3	-42.3	175.4	0	0	0	0	0	112	P26 K32 L33 A34	P26-A30 VanDerWaalsContact O-CB 3.3Å; P26-A30 WeakPolarHBondContact O-CB 3.13Å; P26-A30 PolarHBondContact O-N 3.13Å; A30-K32 PolarHBondContact O-N 3.25Å; A30-L33 PolarHBondContact O-N 2.84Å; A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 3.34Å
31	A	53.5	Low	64.5	Low	23 Å²	23	77.7 Å²	77.7	19%	0.19	44%	0.443	C	S	.	.	H	α-helix	trans	-65.1	-35.8	174.7	0	0	0	0	0	113.1	S27 I29 L33 F35	S27-A31 WeakPolarHBondContact O-CB 3.38Å; S27-A31 PolarHBondContact O-N 3.1Å; S27-A31 VanDerWaalsContact O-N 3.08Å; I29-A31 VanDerWaalsContact C-N 3.33Å; I29-A31 PolarHBondContact O-N 2.94Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-F35 HydrophobicContact CB-CD2 4.23Å; A31-F35 WeakPolarHBondContact O-CB 3.43Å; A31-F35 WeakPolarHBondContact O-CD2 3.48Å; A31-F35 PolarHBondContact O-N 2.96Å
32	K	54.3	Low	66.5	Low	167 Å²	167	74.3 Å²	74.3	73%	0.726	42%	0.419	S	S	*	.	H	α-helix	trans	-70.5	-27.9	176.3	-85.5	-175.9	172.2	-167.5	0	113.6	R28 I29 A30	R28-K32 WeakPolarHBondContact O-CB 3.46Å; R28-K32 WeakPolarHBondContact O-CG 3.48Å; R28-K32 PolarHBondContact O-N 3.16Å; I29-K32 PolarHBondContact O-N 2.98Å; I29-K32 VanDerWaalsContact O-N 3.1Å; A30-K32 PolarHBondContact O-N 3.25Å
33	L	58.6	Low	68.7	Low	136 Å²	136	75.1 Å²	75.1	71%	0.712	42%	0.423	S	S	*	.	H	α-helix	trans	-87.3	-31.9	177.7	-67.5	172.1	0	0	0	112	I29 A30 A31	I29-L33 HydrophobicContact CG2-CD1 3.97Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 3.01Å; A30-L33 PolarHBondContact O-N 2.84Å; A31-L33 VanDerWaalsContact C-N 3.33Å
34	A	70.8	Confident	71	Confident	29 Å²	29	70 Å²	70	24%	0.24	39%	0.39	C	S	.	.	H	α-helix	trans	-85.7	-27.2	-177.9	0	0	0	0	0	113.9	A30 N123 F237	A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 3.34Å; A34-N123 PolarHBondContact O-ND2 3Å; A34-F237 HydrophobicContact CB-CE2 4.05Å; A34-F237 HydrophobicContact CB-CZ 4.48Å
35	F	85.3	Confident	72.8	Confident	10 Å²	10	65.5 Å²	65.5	4%	0.044	36%	0.359	C	S	.	.			trans	-117.2	121.8	-178.7	-62.2	-73.2	0	0	0	110.9	A31 P37 Y153 P160 L165 I194 F237	A31-F35 HydrophobicContact CB-CD2 4.23Å; A31-F35 WeakPolarHBondContact O-CB 3.43Å; A31-F35 WeakPolarHBondContact O-CD2 3.48Å; A31-F35 PolarHBondContact O-N 2.96Å; F35-P37 VanDerWaalsContact C-CD 3.45Å; F35-P37 WeakPolarHBondContact O-CD 2.9Å; F35-Y153 VanDerWaalsContact CA-OH 3.29Å; F35-Y153 WeakPolarHBondContact CA-OH 3.29Å; F35-Y153 HydrophobicContact CB-CE2 4.17Å; F35-Y153 WeakPolarHBondContact CB-OH 3.24Å; F35-Y153 HydrophobicContact CD1-CE2 4.16Å; F35-P160 HydrophobicContact CB-CB 3.41Å; F35-P160 VanDerWaalsContact CB-CB 3.41Å; F35-P160 HydrophobicContact CB-CG 3.95Å; F35-P160 HydrophobicContact CD1-CB 3.93Å; F35-P160 HydrophobicContact CD2-CB 3.45Å; F35-P160 VanDerWaalsContact CD2-CB 3.45Å; F35-P160 HydrophobicContact CE2-CB 4.13Å; F35-P160 HydrophobicContact CG-CB 3.33Å; F35-P160 HydrophobicContact CG-CG 4.36Å; F35-L165 HydrophobicContact CE1-CD1 4.43Å; F35-L165 HydrophobicContact CE1-CD2 4.27Å; F35-L165 HydrophobicContact CZ-CD2 4.19Å; F35-I194 HydrophobicContact CD1-CD1 3.72Å; F35-I194 HydrophobicContact CE1-CD1 3.45Å; F35-I194 VanDerWaalsContact CE1-CD1 3.45Å; F35-I194 HydrophobicContact CE1-CG1 4.37Å; F35-I194 HydrophobicContact CZ-CD1 4.13Å; F35-F237 HydrophobicContact CE1-CZ 4.47Å; F35-F237 HydrophobicContact CE2-CE1 4.33Å; F35-F237 AromaticContact CE2-CZ 3.71Å; F35-F237 HydrophobicContact CE2-CZ 3.71Å; F35-F237 AromaticContact CZ-CE1 3.87Å; F35-F237 HydrophobicContact CZ-CE1 3.87Å; F35-F237 AromaticContact CZ-CZ 3.53Å; F35-F237 HydrophobicContact CZ-CZ 3.53Å
36	L	89.9	Confident	74.3	Confident	96 Å²	96	66.7 Å²	66.7	50%	0.503	36%	0.357	S	S	.	.			trans	-122.8	67.4	-179.4	-62	174.5	0	0	0	109.1	N123 A124 Y153	L36-N123 PolarHBondContact N-OD1 3.49Å; L36-A124 HydrophobicContact CB-CB 4.33Å; L36-A124 WeakPolarHBondContact O-CA 3.34Å; L36-A124 PolarHBondContact O-N 3.45Å; L36-Y153 PolarHBondContact N-OH 2.7Å
37	P	90.7	Very high	75.2	Confident	55 Å²	55	67.2 Å²	67.2	36%	0.357	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-57.9	128.9	178.4	24.2	-32.6	0	0	0	110.5	F35 G152 Y153 P160	F35-P37 VanDerWaalsContact C-CD 3.45Å; F35-P37 WeakPolarHBondContact O-CD 2.9Å; P37-G152 VanDerWaalsContact CB-O 3.28Å; P37-G152 WeakPolarHBondContact CB-O 3.43Å; P37-Y153 HydrophobicContact CB-CD1 3.97Å; P37-Y153 HydrophobicContact CB-CD2 3.73Å; P37-Y153 HydrophobicContact CB-CE1 4.05Å; P37-Y153 HydrophobicContact CB-CE2 3.79Å; P37-Y153 HydrophobicContact CB-CG 3.8Å; P37-Y153 HydrophobicContact CG-CD2 4.49Å; P37-Y153 HydrophobicContact CG-CE2 4.24Å; P37-P160 HydrophobicContact CG-CG 4.32Å
38	P	90.9	Very high	75.9	Confident	32 Å²	32	69.8 Å²	69.8	21%	0.208	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-72.1	168.8	175.8	32.5	-35.3	0	0	0	110.7	D126	P38-D126 HydrophobicContact CG-CB 4.17Å
39	E	92.1	Very high	76.5	Confident	129 Å²	129	65 Å²	65	60%	0.603	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-62.3	134.6	162.5	-67.9	-167	170.1	0	0	108.9	T41 R76	E39-T41 PolarHBondContact O-N 3.04Å; E39-R76 IonicContact OE2-CZ 3.11Å; E39-R76 IonicContact OE2-NH1 2.62Å; E39-R76 PolarHBondContact OE2-NH1 2.98Å; E39-R76 IonicContact OE2-NH2 2.87Å; E39-R76 PolarHBondContact OE2-NH2 3.21Å
40	P	93.6	Very high	77.1	Confident	69 Å²	69	63.7 Å²	63.7	45%	0.448	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-56.5	131.8	-175.8	-26.5	35.1	0	0	0	112	D126 G154	P40-D126 WeakPolarHBondContact CA-OD2 3.37Å; P40-G154 VanDerWaalsContact CG-O 3.28Å; P40-G154 WeakPolarHBondContact CG-O 3.4Å
41	T	94	Very high	77.4	Confident	4 Å²	4	67.3 Å²	67.3	3%	0.025	35%	0.35	C	S	.	.			trans	-100	-2.2	179.4	74.9	0	0	0	0	112.8	E39 S74 R76 D126 G128 Q129	E39-T41 PolarHBondContact O-N 3.04Å; T41-S74 VanDerWaalsContact CA-OG 3.32Å; T41-S74 WeakPolarHBondContact CA-OG 3.39Å; T41-S74 WeakPolarHBondContact O-CB 3.21Å; T41-S74 PolarHBondContact O-N 3.33Å; T41-S74 PolarHBondContact O-OG 2.9Å; T41-R76 HydrophobicContact CG2-CB 4.17Å; T41-D126 PolarHBondContact N-OD2 3.48Å; T41-D126 PolarHBondContact OG1-OD1 3.24Å; T41-D126 PolarHBondContact OG1-OD2 2.9Å; T41-G128 WeakPolarHBondContact OG1-CA 3.28Å; T41-Q129 HydrophobicContact CG2-CG 3.53Å; T41-Q129 PolarHBondContact OG1-N 2.88Å
42	Y	94.4	Very high	77.4	Confident	4 Å²	4	74 Å²	74	2%	0.016	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	162.1	177.7	78.5	-75.6	0	0	0	112.7	V44 L71 H72 D126 L127 G128 D149 V155	Y42-V44 HydrophobicContact CD2-CG2 4.49Å; Y42-V44 HydrophobicContact CE2-CG2 4.06Å; Y42-L71 HydrophobicContact CD2-CD1 3.41Å; Y42-L71 VanDerWaalsContact CD2-CD1 3.41Å; Y42-L71 HydrophobicContact CE2-CD1 4.23Å; Y42-L71 HydrophobicContact CG-CD1 3.85Å; Y42-H72 CarbonylContact C-O 3.55Å; Y42-H72 WeakPolarHBondContact CA-O 3.34Å; Y42-H72 WeakPolarHBondContact CB-O 3.15Å; Y42-D126 WeakPolarHBondContact CD1-OD2 3.44Å; Y42-D126 HydrophobicContact CE1-CB 4.29Å; Y42-L127 HydrophobicContact CE1-CB 3.79Å; Y42-L127 WeakPolarHBondContact OH-CD1 3.42Å; Y42-G128 VanDerWaalsContact CD1-N 3.32Å; Y42-D149 WeakPolarHBondContact CE1-OD2 3.37Å; Y42-D149 VanDerWaalsContact CZ-OD2 3.25Å; Y42-D149 PolarHBondContact OH-OD2 3.15Å; Y42-V155 HydrophobicContact CD2-CG1 4.18Å; Y42-V155 HydrophobicContact CE1-CG1 4.34Å; Y42-V155 HydrophobicContact CE2-CG1 3.88Å; Y42-V155 HydrophobicContact CE2-CG2 3.86Å; Y42-V155 WeakPolarHBondContact O-CG1 3.33Å; Y42-V155 VanDerWaalsContact OH-CG2 3.31Å; Y42-V155 WeakPolarHBondContact OH-CG2 3.48Å
43	T	93.1	Very high	77.4	Confident	67 Å²	67	71.7 Å²	71.7	41%	0.411	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	160.7	169.5	57	0	0	0	0	110.5	H72	T43-H72 PolarHBondContact N-O 2.95Å; T43-H72 PolarHBondContact O-N 3.38Å; T43-H72 PolarHBondContact OG1-ND1 3.1Å
44	V	91.1	Very high	77.1	Confident	15 Å²	15	68.2 Å²	68.2	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	109.6	175.5	178.8	0	0	0	0	107.5	Y42 C69 V91 F93 V155	Y42-V44 HydrophobicContact CD2-CG2 4.49Å; Y42-V44 HydrophobicContact CE2-CG2 4.06Å; V44-C69 HydrophobicContact CG1-CB 3.42Å; V44-C69 VanDerWaalsContact CG1-CB 3.42Å; V44-V91 HydrophobicContact CB-CG2 4.45Å; V44-V91 HydrophobicContact CG1-CG2 4.01Å; V44-V91 HydrophobicContact CG2-CB 4.18Å; V44-V91 HydrophobicContact CG2-CG2 4.07Å; V44-F93 HydrophobicContact CB-CE2 3.86Å; V44-F93 HydrophobicContact CB-CZ 3.76Å; V44-F93 HydrophobicContact CG1-CD2 4.48Å; V44-F93 HydrophobicContact CG1-CE2 3.8Å; V44-F93 HydrophobicContact CG1-CZ 4.19Å; V44-F93 HydrophobicContact CG2-CE1 4.35Å; V44-F93 HydrophobicContact CG2-CE2 4.29Å; V44-F93 HydrophobicContact CG2-CZ 3.85Å; V44-V155 HydrophobicContact CG2-CG2 4.12Å
45	L	84.8	Confident	75.9	Confident	22 Å²	22	69.4 Å²	69.4	12%	0.115	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.5	178.1	-62.5	178.9	0	0	0	109.6	Q50 C69 S70 H72	L45-Q50 HydrophobicContact CB-CG 4.19Å; L45-C69 VanDerWaalsContact O-CA 3.27Å; L45-C69 WeakPolarHBondContact O-CA 3.48Å; L45-C69 WeakPolarHBondContact O-CB 3.49Å; L45-S70 PolarHBondContact N-O 2.97Å; L45-S70 PolarHBondContact O-N 3.36Å; L45-H72 HydrophobicContact CD1-CB 3.73Å; L45-H72 HydrophobicContact CD2-CB 4.41Å; L45-H72 HydrophobicContact CG-CB 3.78Å
46	Q	80.1	Confident	74.1	Confident	92 Å²	92	73.4 Å²	73.4	43%	0.43	41%	0.411	S	S	.	.			trans	-78.7	154.3	172.6	-66.3	-171.7	12.6	0	0	110.4	E48 Q49 Q50	Q46-E48 PolarHBondContact O-N 3.14Å; Q46-Q49 WeakPolarHBondContact O-CB 3.34Å; Q46-Q49 PolarHBondContact O-N 3.36Å; Q46-Q50 PolarHBondContact O-N 3.17Å; Q46-Q50 VanDerWaalsContact O-N 3.12Å
47	P	69.8	Low	72	Confident	41 Å²	41	73.1 Å²	73.1	27%	0.266	42%	0.422	S	S	.	.	H	α-helix	trans	-52.8	-32.3	179.8	-26	32	0	0	0	114.2	Q51	P47-Q51 PolarHBondContact O-N 3.02Å
48	E	64.5	Low	69.5	Low	148 Å²	148	74.4 Å²	74.4	69%	0.692	44%	0.437	S	S	*	.	H	α-helix	trans	-68.5	-33.5	177.9	-63.8	170.5	-179.9	0	0	112.5	Q46	Q46-E48 PolarHBondContact O-N 3.14Å
49	Q	59.9	Low	66.8	Low	94 Å²	94	76.6 Å²	76.6	44%	0.439	47%	0.465	S	S	.	.	H	α-helix	trans	-79	-35.2	177.6	-66.7	174.5	-35.9	0	0	111.5	Q46 Q51 Q52 E53	Q46-Q49 WeakPolarHBondContact O-CB 3.34Å; Q46-Q49 PolarHBondContact O-N 3.36Å; Q49-Q51 VanDerWaalsContact C-N 3.29Å; Q49-Q51 PolarHBondContact O-N 3.46Å; Q49-Q52 PolarHBondContact O-N 2.88Å; Q49-Q52 VanDerWaalsContact O-N 3.16Å; Q49-E53 PolarHBondContact O-N 3.37Å
50	Q	58.9	Low	64.2	Low	63 Å²	63	75.9 Å²	75.9	29%	0.294	48%	0.482	S	S	.	.	H	α-helix	trans	-60.2	-37.2	174.1	-71.3	169.2	13.9	0	0	112.2	L45 Q46 Q52 E53 A54 S70	L45-Q50 HydrophobicContact CB-CG 4.19Å; Q46-Q50 PolarHBondContact O-N 3.17Å; Q46-Q50 VanDerWaalsContact O-N 3.12Å; Q50-Q52 VanDerWaalsContact C-N 3.33Å; Q50-Q52 PolarHBondContact O-N 3.47Å; Q50-E53 PolarHBondContact O-N 2.88Å; Q50-A54 WeakPolarHBondContact O-CB 3.45Å; Q50-A54 PolarHBondContact O-N 2.65Å; Q50-S70 PolarHBondContact NE2-OG 3.49Å
51	Q	55	Low	61.3	Low	118 Å²	118	76 Å²	76	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-70	-27.7	177.5	-75.3	179.7	13.7	0	0	113.3	P47 Q49 G55	P47-Q51 PolarHBondContact O-N 3.02Å; Q49-Q51 VanDerWaalsContact C-N 3.29Å; Q49-Q51 PolarHBondContact O-N 3.46Å; Q51-G55 VanDerWaalsContact O-CA 3.29Å; Q51-G55 WeakPolarHBondContact O-CA 3.45Å; Q51-G55 PolarHBondContact O-N 2.86Å
52	Q	54.2	Low	58.7	Low	162 Å²	162	82.7 Å²	82.7	76%	0.757	54%	0.536	S	S	*	.	H	α-helix	trans	-74.5	-37.4	174.4	-98.4	172.7	-0.4	0	0	112.3	Q49 Q50	Q49-Q52 PolarHBondContact O-N 2.88Å; Q49-Q52 VanDerWaalsContact O-N 3.16Å; Q50-Q52 VanDerWaalsContact C-N 3.33Å; Q50-Q52 PolarHBondContact O-N 3.47Å
53	E	54.1	Low	56.1	Low	120 Å²	120	87 Å²	87	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-75	-40.7	175.6	-70.6	-179.1	169.4	0	0	112.1	Q49 Q50	Q49-E53 PolarHBondContact O-N 3.37Å; Q50-E53 PolarHBondContact O-N 2.88Å
54	A	52.5	Low	53.5	Low	62 Å²	62	91 Å²	91	51%	0.512	59%	0.589	S	S	.	*	H	α-helix	trans	-75.4	-29.6	176.4	0	0	0	0	0	113.2	Q50 A56 A57 A58	Q50-A54 WeakPolarHBondContact O-CB 3.45Å; Q50-A54 PolarHBondContact O-N 2.65Å; A54-A56 PolarHBondContact O-N 2.99Å; A54-A57 PolarHBondContact O-N 2.94Å; A54-A58 PolarHBondContact O-N 3.25Å
55	G	44.8	Very low	50.9	Low	54 Å²	54	93.3 Å²	93.3	56%	0.557	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-10.6	178.5	0	0	0	0	0	114.6	Q51 A57	Q51-G55 VanDerWaalsContact O-CA 3.29Å; Q51-G55 WeakPolarHBondContact O-CA 3.45Å; Q51-G55 PolarHBondContact O-N 2.86Å; G55-A57 VanDerWaalsContact C-N 3.27Å
56	A	47.8	Very low	49	Very low	95 Å²	95	97.4 Å²	97.4	79%	0.785	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-10.1	166	0	0	0	0	0	113.1	A54	A54-A56 PolarHBondContact O-N 2.99Å
57	A	46	Very low	47.6	Very low	90 Å²	90	95.4 Å²	95.4	74%	0.744	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-21.9	-172.7	0	0	0	0	0	116.5	A54 G55	A54-A57 PolarHBondContact O-N 2.94Å; G55-A57 VanDerWaalsContact C-N 3.27Å
58	A	37.3	Very low	47.4	Very low	81 Å²	81	97.3 Å²	97.3	67%	0.669	66%	0.662	S	S	*	*	S	Bend	trans	-163.4	148.2	173.3	0	0	0	0	0	113.9	A54	A54-A58 PolarHBondContact O-N 3.25Å
59	G	35.3	Very low	48.2	Very low	78 Å²	78	91.5 Å²	91.5	80%	0.804	64%	0.637	S	S	*	*			trans	-71.2	162.2	-174.2	0	0	0	0	0	116.5
60	A	37.8	Very low	49.2	Very low	115 Å²	115	88.9 Å²	88.9	95%	0.95	63%	0.629	S	S	*	*			trans	-36.4	123.1	-172.6	0	0	0	0	0	117.8
61	G	32.2	Very low	50.6	Low	70 Å²	70	86.8 Å²	86.8	72%	0.722	62%	0.62	S	S	*	*			trans	-136.3	134.2	153.5	0	0	0	0	0	108.9	P63	G61-P63 WeakPolarHBondContact O-CD 3.35Å
62	T	38.3	Very low	52.2	Low	146 Å²	146	85.3 Å²	85.3	90%	0.896	61%	0.613	S	S	*	*			trans	-79.3	123.7	-177	-19.4	0	0	0	0	110.2
63	P	40.7	Very low	53.8	Low	95 Å²	95	78.3 Å²	78.3	62%	0.617	58%	0.58	S	S	*	*			trans	-96.5	126.1	173.3	18.6	-2.3	0	0	0	111.3	G61	G61-P63 WeakPolarHBondContact O-CD 3.35Å
64	T	38.8	Very low	55.3	Low	150 Å²	150	74.5 Å²	74.5	92%	0.92	57%	0.567	S	S	*	*			trans	-96.8	110.2	160.8	39	0	0	0	0	107.2
65	G	36.1	Very low	56.6	Low	64 Å²	64	80.7 Å²	80.7	66%	0.66	59%	0.585	S	S	*	*	S	Bend	trans	177.5	133.6	178	0	0	0	0	0	111	G67	G65-G67 PolarHBondContact O-N 2.78Å
66	S	45.4	Very low	58.2	Low	108 Å²	108	85 Å²	85	76%	0.755	59%	0.585	S	S	*	*			trans	-45.1	112.5	170.3	162.8	0	0	0	0	109.3	T68	S66-T68 PolarHBondContact O-N 2.86Å; S66-T68 PolarHBondContact O-OG1 3.27Å
67	G	51.3	Low	59.5	Low	50 Å²	50	80.9 Å²	80.9	52%	0.515	55%	0.551	S	S	.	*			trans	-60.1	98.1	-169.4	0	0	0	0	0	113.1	G65	G65-G67 PolarHBondContact O-N 2.78Å
68	T	64	Low	60.9	Low	80 Å²	80	83.6 Å²	83.6	49%	0.491	55%	0.553	S	S	.	*			trans	-77.1	127	177.2	-34.8	0	0	0	0	108.8	S66 E90	S66-T68 PolarHBondContact O-N 2.86Å; S66-T68 PolarHBondContact O-OG1 3.27Å; T68-E90 HydrophobicContact CG2-CG 4.04Å
69	C	81.3	Confident	63	Low	27 Å²	27	82 Å²	82	18%	0.182	53%	0.53	C	S	.	.			trans	-74.1	146	172.7	-55.1	0	0	0	0	109.1	V44 L45 V91	V44-C69 HydrophobicContact CG1-CB 3.42Å; V44-C69 VanDerWaalsContact CG1-CB 3.42Å; L45-C69 VanDerWaalsContact O-CA 3.27Å; L45-C69 WeakPolarHBondContact O-CA 3.48Å; L45-C69 WeakPolarHBondContact O-CB 3.49Å; C69-V91 WeakPolarHBondContact CB-O 3.28Å
70	S	81.1	Confident	65.1	Low	38 Å²	38	87.3 Å²	87.3	27%	0.266	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.4	177.4	65.6	0	0	0	0	111.7	L45 Q50 V91	L45-S70 PolarHBondContact N-O 2.97Å; L45-S70 PolarHBondContact O-N 3.36Å; Q50-S70 PolarHBondContact NE2-OG 3.49Å; S70-V91 WeakPolarHBondContact O-CG2 3.4Å
71	L	89	Confident	67.2	Low	19 Å²	19	87 Å²	87	10%	0.099	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.2	172.6	177.6	71.2	0	0	0	109.1	Y42 L73 L86 V89 V91 M105	Y42-L71 HydrophobicContact CD2-CD1 3.41Å; Y42-L71 VanDerWaalsContact CD2-CD1 3.41Å; Y42-L71 HydrophobicContact CE2-CD1 4.23Å; Y42-L71 HydrophobicContact CG-CD1 3.85Å; L71-L73 HydrophobicContact CD1-CD2 4.1Å; L71-L73 HydrophobicContact CD2-CD1 4.27Å; L71-L73 HydrophobicContact CD2-CD2 3.89Å; L71-L73 HydrophobicContact CD2-CG 3.95Å; L71-L73 HydrophobicContact CG-CD2 4.06Å; L71-L73 HydrophobicContact CG-CG 4.09Å; L71-L86 HydrophobicContact CD2-CD2 4.32Å; L71-V89 HydrophobicContact CD2-CG1 3.97Å; L71-V91 HydrophobicContact CB-CG1 4.1Å; L71-V91 HydrophobicContact CB-CG2 4.08Å; L71-V91 HydrophobicContact CD1-CG1 3.92Å; L71-M105 HydrophobicContact CD1-CE 4Å; L71-M105 HydrophobicContact CD2-CE 4.05Å
72	H	88.6	Confident	69.7	Low	88 Å²	88	86.2 Å²	86.2	41%	0.407	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.7	166.9	174.4	-81.3	0	0	0	109.1	Y42 T43 L45	Y42-H72 CarbonylContact C-O 3.55Å; Y42-H72 WeakPolarHBondContact CA-O 3.34Å; Y42-H72 WeakPolarHBondContact CB-O 3.15Å; T43-H72 PolarHBondContact N-O 2.95Å; T43-H72 PolarHBondContact O-N 3.38Å; T43-H72 PolarHBondContact OG1-ND1 3.1Å; L45-H72 HydrophobicContact CD1-CB 3.73Å; L45-H72 HydrophobicContact CD2-CB 4.41Å; L45-H72 HydrophobicContact CG-CB 3.78Å
73	L	87.8	Confident	71.9	Confident	14 Å²	14	85.3 Å²	85.3	7%	0.073	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.1	179.7	-67.1	173.6	0	0	0	110	L71 A77 W79 Y81 L86	L71-L73 HydrophobicContact CD1-CD2 4.1Å; L71-L73 HydrophobicContact CD2-CD1 4.27Å; L71-L73 HydrophobicContact CD2-CD2 3.89Å; L71-L73 HydrophobicContact CD2-CG 3.95Å; L71-L73 HydrophobicContact CG-CD2 4.06Å; L71-L73 HydrophobicContact CG-CG 4.09Å; L73-A77 HydrophobicContact CB-CB 4.14Å; L73-A77 HydrophobicContact CD2-CB 3.86Å; L73-A77 HydrophobicContact CG-CB 4.41Å; L73-W79 HydrophobicContact CD1-CZ2 4.11Å; L73-Y81 HydrophobicContact CB-CE1 4.25Å; L73-Y81 HydrophobicContact CD1-CD1 3.66Å; L73-Y81 HydrophobicContact CD1-CE1 3.58Å; L73-Y81 HydrophobicContact CG-CE1 4.49Å; L73-L86 HydrophobicContact CD1-CD2 4.47Å
74	S	85.8	Confident	74.1	Confident	41 Å²	41	91 Å²	91	29%	0.287	49%	0.487	S	S	.	.			trans	-80.3	163.6	166.5	73.3	0	0	0	0	110.2	T41 R76 A77	T41-S74 VanDerWaalsContact CA-OG 3.32Å; T41-S74 WeakPolarHBondContact CA-OG 3.39Å; T41-S74 WeakPolarHBondContact O-CB 3.21Å; T41-S74 PolarHBondContact O-N 3.33Å; T41-S74 PolarHBondContact O-OG 2.9Å; S74-R76 PolarHBondContact O-N 2.8Å; S74-R76 PolarHBondContact OG-N 3.48Å; S74-A77 WeakPolarHBondContact O-CB 3.44Å; S74-A77 PolarHBondContact O-N 3.06Å
75	E	80	Confident	76.4	Confident	191 Å²	191	86.9 Å²	86.9	89%	0.893	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-55.2	-23.4	173.6	-62.8	-178.3	170.2	0	0	113	A77 D78	E75-A77 VanDerWaalsContact C-N 3.31Å; E75-A77 PolarHBondContact O-N 2.68Å; E75-D78 PolarHBondContact O-N 3.29Å
76	R	78	Confident	78.8	Confident	144 Å²	144	85.3 Å²	85.3	54%	0.543	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-78.1	-11.3	-179.7	-58.1	177.7	-175.5	170	-14.7	114.5	E39 T41 S74 D78	E39-R76 IonicContact OE2-CZ 3.11Å; E39-R76 IonicContact OE2-NH1 2.62Å; E39-R76 PolarHBondContact OE2-NH1 2.98Å; E39-R76 IonicContact OE2-NH2 2.87Å; E39-R76 PolarHBondContact OE2-NH2 3.21Å; T41-R76 HydrophobicContact CG2-CB 4.17Å; S74-R76 PolarHBondContact O-N 2.8Å; S74-R76 PolarHBondContact OG-N 3.48Å; R76-D78 PolarHBondContact O-N 3.25Å
77	A	75.6	Confident	80.8	Confident	10 Å²	10	85.9 Å²	85.9	8%	0.083	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-66.5	-19.7	171	0	0	0	0	0	111.4	L73 S74 E75 W79	L73-A77 HydrophobicContact CB-CB 4.14Å; L73-A77 HydrophobicContact CD2-CB 3.86Å; L73-A77 HydrophobicContact CG-CB 4.41Å; S74-A77 WeakPolarHBondContact O-CB 3.44Å; S74-A77 PolarHBondContact O-N 3.06Å; E75-A77 VanDerWaalsContact C-N 3.31Å; E75-A77 PolarHBondContact O-N 2.68Å; A77-W79 PolarHBondContact O-N 2.9Å
78	D	75.5	Confident	82.8	Confident	147 Å²	147	84.8 Å²	84.8	79%	0.786	41%	0.414	S	S	*	.			trans	50.8	47.2	167.7	-159.9	25.3	0	0	0	115	E75 R76	E75-D78 PolarHBondContact O-N 3.29Å; R76-D78 PolarHBondContact O-N 3.25Å
79	W	81.6	Confident	84.2	Confident	48 Å²	48	81.6 Å²	81.6	18%	0.182	39%	0.394	C	S	.	.			trans	-149.3	151.1	168.6	75.9	-74.6	0	0	0	112.5	L73 A77 Y81 E85 C131 I135	L73-W79 HydrophobicContact CD1-CZ2 4.11Å; A77-W79 PolarHBondContact O-N 2.9Å; W79-Y81 HydrophobicContact CZ2-CD1 4.44Å; W79-E85 HydrophobicContact CH2-CB 4.46Å; W79-C131 HydrophobicContact CZ2-CB 4.03Å; W79-I135 HydrophobicContact CH2-CD1 3.47Å; W79-I135 VanDerWaalsContact CH2-CD1 3.47Å; W79-I135 HydrophobicContact CZ2-CD1 4.2Å; W79-I135 HydrophobicContact CZ3-CD1 4.28Å
80	Q	78.6	Confident	84.9	Confident	188 Å²	188	81.5 Å²	81.5	88%	0.879	39%	0.391	S	S	*	.			trans	-89.5	131.3	177.9	-64	-179.2	-0.8	0	0	110.1
81	Y	82	Confident	85.6	Confident	110 Å²	110	79.8 Å²	79.8	43%	0.431	38%	0.379	S	S	.	.			trans	-128.8	149.4	-178.1	52.4	-97.1	0	0	0	112	L73 W79 L86	L73-Y81 HydrophobicContact CB-CE1 4.25Å; L73-Y81 HydrophobicContact CD1-CD1 3.66Å; L73-Y81 HydrophobicContact CD1-CE1 3.58Å; L73-Y81 HydrophobicContact CG-CE1 4.49Å; W79-Y81 HydrophobicContact CZ2-CD1 4.44Å; Y81-L86 HydrophobicContact CD2-CD1 3.51Å; Y81-L86 HydrophobicContact CD2-CD2 3.95Å; Y81-L86 HydrophobicContact CD2-CG 3.61Å; Y81-L86 HydrophobicContact CE2-CD1 3.42Å; Y81-L86 VanDerWaalsContact CE2-CD1 3.42Å; Y81-L86 HydrophobicContact CE2-CD2 4.27Å; Y81-L86 HydrophobicContact CE2-CG 4.03Å; Y81-L86 HydrophobicContact CG-CD2 4.22Å; Y81-L86 HydrophobicContact CG-CG 4.28Å
82	S	84.6	Confident	85.9	Confident	53 Å²	53	79.8 Å²	79.8	37%	0.371	38%	0.379	S	S	.	.			trans	-91	157.5	167.7	66.4	0	0	0	0	111.1	R84 E85 L86	S82-R84 PolarHBondContact O-N 2.96Å; S82-E85 WeakPolarHBondContact CB-OE2 3.41Å; S82-E85 PolarHBondContact N-OE2 2.9Å; S82-E85 WeakPolarHBondContact O-CB 3.43Å; S82-E85 PolarHBondContact O-N 3.47Å; S82-E85 WeakPolarHBondContact OG-CG 3.43Å; S82-E85 PolarHBondContact OG-N 3.14Å; S82-E85 PolarHBondContact OG-OE2 3.36Å; S82-L86 PolarHBondContact O-N 3.02Å
83	Q	84.6	Confident	86.3	Confident	126 Å²	126	78.8 Å²	78.8	59%	0.589	37%	0.373	S	S	*	.	H	α-helix	trans	-57.5	-37.4	174.8	-172.4	58.7	49	0	0	111.9	E85 L86 D87	Q83-E85 VanDerWaalsContact C-N 3.26Å; Q83-E85 PolarHBondContact O-N 3.49Å; Q83-L86 PolarHBondContact O-N 3.08Å; Q83-L86 VanDerWaalsContact O-N 3.17Å; Q83-D87 PolarHBondContact NE2-OD1 2.91Å; Q83-D87 PolarHBondContact O-N 3.48Å
84	R	85.6	Confident	86.7	Confident	216 Å²	216	79.4 Å²	79.4	82%	0.815	38%	0.379	S	S	*	.	H	α-helix	trans	-59.9	-36.2	177.1	-177.6	-179.5	178.1	-174.9	-0.7	112.7	S82 A88	S82-R84 PolarHBondContact O-N 2.96Å; R84-A88 PolarHBondContact O-N 3.43Å
85	E	87.5	Confident	87.3	Confident	62 Å²	62	85.3 Å²	85.3	29%	0.29	40%	0.395	S	S	.	.	H	α-helix	trans	-70.5	-42.3	176.7	-77.1	163.6	132.5	0	0	111.1	W79 S82 Q83 D87 A88 V89 I135	W79-E85 HydrophobicContact CH2-CB 4.46Å; S82-E85 WeakPolarHBondContact CB-OE2 3.41Å; S82-E85 PolarHBondContact N-OE2 2.9Å; S82-E85 WeakPolarHBondContact O-CB 3.43Å; S82-E85 PolarHBondContact O-N 3.47Å; S82-E85 WeakPolarHBondContact OG-CG 3.43Å; S82-E85 PolarHBondContact OG-N 3.14Å; S82-E85 PolarHBondContact OG-OE2 3.36Å; Q83-E85 VanDerWaalsContact C-N 3.26Å; Q83-E85 PolarHBondContact O-N 3.49Å; E85-D87 VanDerWaalsContact C-N 3.35Å; E85-D87 PolarHBondContact O-N 3.44Å; E85-A88 WeakPolarHBondContact O-CB 3.46Å; E85-A88 PolarHBondContact O-N 3.13Å; E85-V89 WeakPolarHBondContact O-CG2 3.44Å; E85-I135 HydrophobicContact CB-CD1 4.01Å; E85-I135 HydrophobicContact CG-CD1 4.36Å; E85-I135 HydrophobicContact CG-CG2 4.31Å
86	L	86.4	Confident	88.2	Confident	32 Å²	32	76.5 Å²	76.5	17%	0.168	35%	0.354	C	S	.	.	H	α-helix	trans	-63.2	-39.7	174.5	-68.9	-177.3	0	0	0	112.7	L71 L73 Y81 S82 Q83 A88 V89	L71-L86 HydrophobicContact CD2-CD2 4.32Å; L73-L86 HydrophobicContact CD1-CD2 4.47Å; Y81-L86 HydrophobicContact CD2-CD1 3.51Å; Y81-L86 HydrophobicContact CD2-CD2 3.95Å; Y81-L86 HydrophobicContact CD2-CG 3.61Å; Y81-L86 HydrophobicContact CE2-CD1 3.42Å; Y81-L86 VanDerWaalsContact CE2-CD1 3.42Å; Y81-L86 HydrophobicContact CE2-CD2 4.27Å; Y81-L86 HydrophobicContact CE2-CG 4.03Å; Y81-L86 HydrophobicContact CG-CD2 4.22Å; Y81-L86 HydrophobicContact CG-CG 4.28Å; S82-L86 PolarHBondContact O-N 3.02Å; Q83-L86 PolarHBondContact O-N 3.08Å; Q83-L86 VanDerWaalsContact O-N 3.17Å; L86-A88 PolarHBondContact O-N 2.86Å; L86-V89 PolarHBondContact O-N 2.86Å
87	D	89.1	Confident	89.1	Confident	119 Å²	119	74.5 Å²	74.5	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-63.7	-22.1	178.9	-64.6	-17.1	0	0	0	112.5	Q83 E85 V89	Q83-D87 PolarHBondContact NE2-OD1 2.91Å; Q83-D87 PolarHBondContact O-N 3.48Å; E85-D87 VanDerWaalsContact C-N 3.35Å; E85-D87 PolarHBondContact O-N 3.44Å; D87-V89 VanDerWaalsContact C-N 3.32Å
88	A	91.6	Very high	90.2	Very high	27 Å²	27	80 Å²	80	22%	0.223	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.8	175	0	0	0	0	0	113.3	R84 E85 L86 V107 R108	R84-A88 PolarHBondContact O-N 3.43Å; E85-A88 WeakPolarHBondContact O-CB 3.46Å; E85-A88 PolarHBondContact O-N 3.13Å; L86-A88 PolarHBondContact O-N 2.86Å; A88-V107 WeakPolarHBondContact O-CA 3.46Å; A88-R108 PolarHBondContact O-N 3.35Å
89	V	94.4	Very high	91.2	Very high	13 Å²	13	78.2 Å²	78.2	8%	0.079	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116	-174.4	-176.6	0	0	0	0	110.4	L71 E85 L86 D87 V91 M105 V107 I135	L71-V89 HydrophobicContact CD2-CG1 3.97Å; E85-V89 WeakPolarHBondContact O-CG2 3.44Å; L86-V89 PolarHBondContact O-N 2.86Å; D87-V89 VanDerWaalsContact C-N 3.32Å; V89-V91 HydrophobicContact CG1-CG1 4.39Å; V89-M105 HydrophobicContact CG1-CE 4.01Å; V89-M105 HydrophobicContact CG1-CG 3.71Å; V89-M105 HydrophobicContact CG1-SD 4Å; V89-V107 HydrophobicContact CG2-CG1 4.1Å; V89-V107 HydrophobicContact CG2-CG2 4.22Å; V89-I135 HydrophobicContact CG2-CD1 4.19Å
90	E	95.1	Very high	92	Very high	26 Å²	26	76.9 Å²	76.9	12%	0.121	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.8	172.5	-174.9	-179.1	162.3	0	0	109.3	T68 M105 F106 R108 R179 Y180	T68-E90 HydrophobicContact CG2-CG 4.04Å; E90-M105 CarbonylContact O-C 3.49Å; E90-M105 WeakPolarHBondContact O-CA 3.41Å; E90-F106 HydrophobicContact CB-CB 4.46Å; E90-F106 PolarHBondContact N-O 3.31Å; E90-F106 PolarHBondContact O-N 3.22Å; E90-R108 IonicContact OE2-CZ 3.97Å; E90-R108 IonicContact OE2-NH2 2.98Å; E90-R108 PolarHBondContact OE2-NH2 3.06Å; E90-R179 IonicContact OE1-CZ 3.69Å; E90-R179 IonicContact OE1-NE 2.88Å; E90-R179 PolarHBondContact OE1-NE 3.46Å; E90-R179 IonicContact OE1-NH2 3.55Å; E90-R179 PolarHBondContact OE1-NH2 3.5Å; E90-Y180 PolarHBondContact OE1-OH 3.13Å; E90-Y180 VanDerWaalsContact OE1-OH 3.06Å; E90-Y180 PolarHBondContact OE2-OH 2.84Å
91	V	96.1	Very high	92.9	Very high	2 Å²	2	73.3 Å²	73.3	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.5	171.9	-69.8	0	0	0	0	110.8	V44 C69 S70 L71 V89 C104 M105	V44-V91 HydrophobicContact CB-CG2 4.45Å; V44-V91 HydrophobicContact CG1-CG2 4.01Å; V44-V91 HydrophobicContact CG2-CB 4.18Å; V44-V91 HydrophobicContact CG2-CG2 4.07Å; C69-V91 WeakPolarHBondContact CB-O 3.28Å; S70-V91 WeakPolarHBondContact O-CG2 3.4Å; L71-V91 HydrophobicContact CB-CG1 4.1Å; L71-V91 HydrophobicContact CB-CG2 4.08Å; L71-V91 HydrophobicContact CD1-CG1 3.92Å; V89-V91 HydrophobicContact CG1-CG1 4.39Å; V91-C104 VanDerWaalsContact CA-O 3.29Å; V91-C104 WeakPolarHBondContact CA-O 3.12Å; V91-M105 HydrophobicContact CG1-CB 4.25Å; V91-M105 HydrophobicContact CG1-CE 4.07Å; V91-M105 HydrophobicContact CG1-CG 4.27Å
92	F	95.8	Very high	93.7	Very high	19 Å²	19	68.1 Å²	68.1	8%	0.083	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	174.1	178.5	66.7	-77.9	0	0	0	110.8	C104 F146 A175 Y180	F92-C104 HydrophobicContact CD1-CB 3.99Å; F92-C104 HydrophobicContact CD2-CB 4.26Å; F92-C104 HydrophobicContact CE1-CB 3.52Å; F92-C104 HydrophobicContact CE2-CB 3.86Å; F92-C104 HydrophobicContact CG-CB 4.32Å; F92-C104 HydrophobicContact CZ-CB 3.46Å; F92-C104 VanDerWaalsContact CZ-CB 3.46Å; F92-C104 PolarHBondContact N-O 3.15Å; F92-C104 PolarHBondContact O-N 2.74Å; F92-F146 AromaticContact CE1-CE2 3.75Å; F92-F146 HydrophobicContact CE1-CE2 3.75Å; F92-F146 HydrophobicContact CE1-CZ 4.28Å; F92-F146 AromaticContact CZ-CE2 3.6Å; F92-F146 HydrophobicContact CZ-CE2 3.6Å; F92-F146 AromaticContact CZ-CZ 3.83Å; F92-F146 HydrophobicContact CZ-CZ 3.83Å; F92-A175 HydrophobicContact CE2-CB 4.15Å; F92-A175 HydrophobicContact CZ-CB 4.11Å; F92-Y180 WeakPolarHBondContact CD1-OH 3.2Å; F92-Y180 AromaticContact CE1-CE2 3.9Å; F92-Y180 HydrophobicContact CE1-CE2 3.9Å; F92-Y180 AromaticContact CE1-CZ 3.92Å; F92-Y180 WeakPolarHBondContact CE1-OH 3.42Å; F92-Y180 AromaticContact CZ-CE2 3.97Å; F92-Y180 HydrophobicContact CZ-CE2 3.97Å
93	F	96.9	Very high	94.3	Very high	67 Å²	67	65.6 Å²	65.6	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.9	175.4	-63.9	-69.9	0	0	0	111.9	V44 R101 L102 V155	V44-F93 HydrophobicContact CB-CE2 3.86Å; V44-F93 HydrophobicContact CB-CZ 3.76Å; V44-F93 HydrophobicContact CG1-CD2 4.48Å; V44-F93 HydrophobicContact CG1-CE2 3.8Å; V44-F93 HydrophobicContact CG1-CZ 4.19Å; V44-F93 HydrophobicContact CG2-CE1 4.35Å; V44-F93 HydrophobicContact CG2-CE2 4.29Å; V44-F93 HydrophobicContact CG2-CZ 3.85Å; F93-R101 HydrophobicContact CB-CG 3.74Å; F93-R101 HydrophobicContact CD1-CG 3.54Å; F93-R101 HydrophobicContact CE1-CG 4.3Å; F93-R101 HydrophobicContact CG-CG 3.77Å; F93-L102 CarbonylContact C-O 3.58Å; F93-L102 VanDerWaalsContact CA-O 3.27Å; F93-L102 WeakPolarHBondContact CA-O 3.46Å; F93-V155 HydrophobicContact CE1-CB 4.12Å; F93-V155 HydrophobicContact CE1-CG2 3.64Å; F93-V155 HydrophobicContact CZ-CB 4.48Å; F93-V155 HydrophobicContact CZ-CG2 4.27Å
94	S	96.7	Very high	95	Very high	27 Å²	27	59.7 Å²	59.7	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	164.1	165.8	-168.2	0	0	0	0	110.4	R101 L102	S94-R101 WeakPolarHBondContact O-CA 3.36Å; S94-L102 PolarHBondContact N-O 2.83Å; S94-L102 PolarHBondContact O-N 2.89Å
95	R	97.9	Very high	95.6	Very high	164 Å²	164	49.4 Å²	49.4	62%	0.619	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.2	174.3	-173.3	173.5	-67.5	-92.7	-2.3	109.5	D99 N100	R95-D99 IonicContact CZ-OD1 3.17Å; R95-D99 IonicContact NH1-OD1 3.73Å; R95-D99 PolarHBondContact NH1-OD1 2.95Å; R95-D99 IonicContact NH1-OD2 3.58Å; R95-N100 WeakPolarHBondContact CA-O 3.46Å
96	T	98.6	Very high	96.1	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.037	24%	0.235	C	C	.	.			trans	-85.4	161.1	177.9	77.7	0	0	0	0	111.4	R98 D99 N100 L102 D168 A171	T96-R98 PolarHBondContact O-N 3.17Å; T96-R98 PolarHBondContact OG1-N 2.92Å; T96-D99 PolarHBondContact O-N 3.09Å; T96-N100 HydrophobicContact CG2-CB 4.27Å; T96-N100 PolarHBondContact N-O 3.23Å; T96-N100 PolarHBondContact OG1-N 3.49Å; T96-L102 HydrophobicContact CG2-CB 4.05Å; T96-L102 HydrophobicContact CG2-CD1 4.25Å; T96-D168 WeakPolarHBondContact CG2-OD1 3.48Å; T96-A171 HydrophobicContact CG2-CB 3.97Å
97	A	97.9	Very high	96.6	Very high	102 Å²	102	45.1 Å²	45.1	84%	0.843	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.5	173.8	0	0	0	0	0	113.5
98	R	97.6	Very high	96.9	Very high	125 Å²	125	44.7 Å²	44.7	47%	0.472	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	17	176.3	-62.5	-177.5	61.6	93.7	9.6	112.6	T96 N100 K163 N164 A167	T96-R98 PolarHBondContact O-N 3.17Å; T96-R98 PolarHBondContact OG1-N 2.92Å; R98-N100 PolarHBondContact O-N 3.18Å; R98-K163 VanDerWaalsContact CD-O 3.32Å; R98-K163 WeakPolarHBondContact CD-O 3.06Å; R98-N164 WeakPolarHBondContact CD-OD1 3.42Å; R98-N164 PolarHBondContact NE-OD1 2.73Å; R98-A167 HydrophobicContact CB-CB 4.4Å; R98-A167 HydrophobicContact CG-CB 3.82Å
99	D	97.1	Very high	97	Very high	111 Å²	111	44.5 Å²	44.5	59%	0.594	21%	0.213	S	C	*	.	S	Bend	trans	64.8	20.9	175.2	-154.2	43.8	0	0	0	115.2	R95 T96	R95-D99 IonicContact CZ-OD1 3.17Å; R95-D99 IonicContact NH1-OD1 3.73Å; R95-D99 PolarHBondContact NH1-OD1 2.95Å; R95-D99 IonicContact NH1-OD2 3.58Å; T96-D99 PolarHBondContact O-N 3.09Å
100	N	98.1	Very high	96.9	Very high	20 Å²	20	44 Å²	44	11%	0.107	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-85.1	145	170.5	-58.5	-38.4	0	0	0	109.8	R95 T96 R98 S151 G158 N164	R95-N100 WeakPolarHBondContact CA-O 3.46Å; T96-N100 HydrophobicContact CG2-CB 4.27Å; T96-N100 PolarHBondContact N-O 3.23Å; T96-N100 PolarHBondContact OG1-N 3.49Å; R98-N100 PolarHBondContact O-N 3.18Å; N100-S151 PolarHBondContact ND2-OG 3.44Å; N100-G158 WeakPolarHBondContact OD1-CA 3.5Å; N100-N164 PolarHBondContact ND2-OD1 2.9Å
101	R	98	Very high	96.2	Very high	113 Å²	113	48.8 Å²	48.8	43%	0.426	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.9	166.4	-174.7	178	66.4	-125.3	1	108.6	F93 S94 S156 T157	F93-R101 HydrophobicContact CB-CG 3.74Å; F93-R101 HydrophobicContact CD1-CG 3.54Å; F93-R101 HydrophobicContact CE1-CG 4.3Å; F93-R101 HydrophobicContact CG-CG 3.77Å; S94-R101 WeakPolarHBondContact O-CA 3.36Å; R101-S156 CarbonylContact O-C 3.57Å; R101-S156 VanDerWaalsContact O-CA 3.28Å; R101-S156 WeakPolarHBondContact O-CA 3.44Å; R101-T157 HydrophobicContact CB-CG2 4Å; R101-T157 PolarHBondContact N-OG1 3.49Å; R101-T157 PolarHBondContact O-N 2.88Å
102	L	98.1	Very high	95.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.8	-175.5	-165.2	76.4	0	0	0	110.2	F93 S94 T96 Y148 D149 S156 D168 A171	F93-L102 CarbonylContact C-O 3.58Å; F93-L102 VanDerWaalsContact CA-O 3.27Å; F93-L102 WeakPolarHBondContact CA-O 3.46Å; S94-L102 PolarHBondContact N-O 2.83Å; S94-L102 PolarHBondContact O-N 2.89Å; T96-L102 HydrophobicContact CG2-CB 4.05Å; T96-L102 HydrophobicContact CG2-CD1 4.25Å; L102-Y148 HydrophobicContact CD1-CD2 4.22Å; L102-Y148 HydrophobicContact CD2-CD2 3.98Å; L102-Y148 HydrophobicContact CD2-CG 4.2Å; L102-Y148 HydrophobicContact CG-CD2 4.43Å; L102-D149 WeakPolarHBondContact CD1-O 3.38Å; L102-S156 WeakPolarHBondContact CA-OG 3.29Å; L102-D168 HydrophobicContact CD1-CB 3.72Å; L102-D168 HydrophobicContact CD2-CB 4.46Å; L102-D168 WeakPolarHBondContact CD2-O 3.27Å; L102-A171 HydrophobicContact CD2-CB 4.09Å
103	G	98.1	Very high	95.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.1	167.8	0	0	0	0	0	110.3	Y148 D149 S156	G103-Y148 CarbonylContact O-C 3.57Å; G103-Y148 VanDerWaalsContact O-CA 3.24Å; G103-Y148 WeakPolarHBondContact O-CA 3.44Å; G103-Y148 WeakPolarHBondContact O-CB 3.22Å; G103-D149 PolarHBondContact O-N 2.75Å; G103-S156 PolarHBondContact N-OG 3.48Å
104	C	98.4	Very high	95	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.3	179.1	-60.9	0	0	0	0	109.7	V91 F92 F146 S147	V91-C104 VanDerWaalsContact CA-O 3.29Å; V91-C104 WeakPolarHBondContact CA-O 3.12Å; F92-C104 HydrophobicContact CD1-CB 3.99Å; F92-C104 HydrophobicContact CD2-CB 4.26Å; F92-C104 HydrophobicContact CE1-CB 3.52Å; F92-C104 HydrophobicContact CE2-CB 3.86Å; F92-C104 HydrophobicContact CG-CB 4.32Å; F92-C104 HydrophobicContact CZ-CB 3.46Å; F92-C104 VanDerWaalsContact CZ-CB 3.46Å; F92-C104 PolarHBondContact N-O 3.15Å; F92-C104 PolarHBondContact O-N 2.74Å; C104-F146 HydrophobicContact CB-CE2 4.36Å; C104-F146 HydrophobicContact CB-CZ 3.83Å; C104-S147 WeakPolarHBondContact CA-O 3.48Å
105	M	98	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.2	177	179.7	-178.3	-77.3	0	0	109.4	L71 V89 E90 V91 V107 L127 C131 Y134 F146 S147	L71-M105 HydrophobicContact CD1-CE 4Å; L71-M105 HydrophobicContact CD2-CE 4.05Å; V89-M105 HydrophobicContact CG1-CE 4.01Å; V89-M105 HydrophobicContact CG1-CG 3.71Å; V89-M105 HydrophobicContact CG1-SD 4Å; E90-M105 CarbonylContact O-C 3.49Å; E90-M105 WeakPolarHBondContact O-CA 3.41Å; V91-M105 HydrophobicContact CG1-CB 4.25Å; V91-M105 HydrophobicContact CG1-CE 4.07Å; V91-M105 HydrophobicContact CG1-CG 4.27Å; M105-V107 HydrophobicContact CG-CG2 3.9Å; M105-V107 HydrophobicContact SD-CG2 3.89Å; M105-L127 HydrophobicContact CB-CB 4.42Å; M105-L127 HydrophobicContact CB-CD1 3.63Å; M105-L127 HydrophobicContact CB-CG 4.42Å; M105-L127 HydrophobicContact CE-CB 3.77Å; M105-L127 WeakPolarHBondContact CE-O 3.32Å; M105-L127 HydrophobicContact SD-CB 4.31Å; M105-C131 HydrophobicContact CE-CB 4.07Å; M105-C131 HydrophobicContact SD-CB 4.16Å; M105-Y134 HydrophobicContact SD-CD2 3.99Å; M105-Y134 HydrophobicContact SD-CE2 4.34Å; M105-F146 CarbonylContact O-C 3.5Å; M105-F146 WeakPolarHBondContact O-CA 3.27Å; M105-S147 PolarHBondContact N-O 3.17Å; M105-S147 PolarHBondContact O-N 3.44Å
106	F	97.7	Very high	95.1	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.7	169.5	-168.1	-170.9	0	0	0	110.2	E90 T116 N144 V145 F146 Y180	E90-F106 HydrophobicContact CB-CB 4.46Å; E90-F106 PolarHBondContact N-O 3.31Å; E90-F106 PolarHBondContact O-N 3.22Å; F106-T116 HydrophobicContact CE2-CG2 3.73Å; F106-T116 HydrophobicContact CZ-CG2 4.13Å; F106-N144 HydrophobicContact CE2-CB 3.57Å; F106-N144 HydrophobicContact CZ-CB 4.12Å; F106-V145 WeakPolarHBondContact CD2-O 3.36Å; F106-F146 HydrophobicContact CB-CD2 3.98Å; F106-F146 HydrophobicContact CD2-CB 4.22Å; F106-F146 HydrophobicContact CD2-CD2 4.41Å; F106-F146 HydrophobicContact CG-CD2 4.14Å; F106-Y180 HydrophobicContact CB-CE2 4.32Å; F106-Y180 AromaticContact CD1-CD1 3.59Å; F106-Y180 HydrophobicContact CD1-CD1 3.59Å; F106-Y180 AromaticContact CD1-CD2 3.76Å; F106-Y180 HydrophobicContact CD1-CD2 3.76Å; F106-Y180 AromaticContact CD1-CE1 3.45Å; F106-Y180 HydrophobicContact CD1-CE1 3.45Å; F106-Y180 VanDerWaalsContact CD1-CE1 3.45Å; F106-Y180 AromaticContact CD1-CE2 3.63Å; F106-Y180 HydrophobicContact CD1-CE2 3.63Å; F106-Y180 AromaticContact CD1-CG 3.73Å; F106-Y180 HydrophobicContact CD1-CG 3.73Å; F106-Y180 AromaticContact CD1-CZ 3.43Å; F106-Y180 VanDerWaalsContact CD1-CZ 3.43Å; F106-Y180 AromaticContact CE1-CD1 3.57Å; F106-Y180 HydrophobicContact CE1-CD1 3.57Å; F106-Y180 AromaticContact CE1-CD2 3.9Å; F106-Y180 HydrophobicContact CE1-CD2 3.9Å; F106-Y180 AromaticContact CE1-CE1 3.95Å; F106-Y180 HydrophobicContact CE1-CE1 3.95Å; F106-Y180 HydrophobicContact CE1-CE2 4.25Å; F106-Y180 AromaticContact CE1-CG 3.53Å; F106-Y180 HydrophobicContact CE1-CG 3.53Å; F106-Y180 HydrophobicContact CG-CE2 4.31Å
107	V	96.8	Very high	95.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115	177.1	-166.6	0	0	0	0	109.4	A88 V89 M105 C109 Y134 I135 V145	A88-V107 WeakPolarHBondContact O-CA 3.46Å; V89-V107 HydrophobicContact CG2-CG1 4.1Å; V89-V107 HydrophobicContact CG2-CG2 4.22Å; M105-V107 HydrophobicContact CG-CG2 3.9Å; M105-V107 HydrophobicContact SD-CG2 3.89Å; V107-C109 VanDerWaalsContact C-N 3.34Å; V107-C109 WeakPolarHBondContact CG1-SG 3.48Å; V107-C109 PolarHBondContact O-N 3.25Å; V107-C109 VanDerWaalsContact O-N 3.13Å; V107-Y134 HydrophobicContact CG2-CD2 4.42Å; V107-I135 HydrophobicContact CG1-CB 4.45Å; V107-I135 HydrophobicContact CG1-CG1 3.44Å; V107-I135 VanDerWaalsContact CG1-CG1 3.44Å; V107-V145 HydrophobicContact CB-CB 4.39Å; V107-V145 PolarHBondContact N-O 2.88Å; V107-V145 PolarHBondContact O-N 3.37Å
108	R	95.9	Very high	95.1	Very high	109 Å²	109	43 Å²	43	41%	0.411	21%	0.212	S	C	.	.			trans	-87	71	-179.9	-61.9	-178.1	-168.9	-77.5	-6.1	111.1	A88 E90 N144 Y180	A88-R108 PolarHBondContact O-N 3.35Å; E90-R108 IonicContact OE2-CZ 3.97Å; E90-R108 IonicContact OE2-NH2 2.98Å; E90-R108 PolarHBondContact OE2-NH2 3.06Å; R108-N144 WeakPolarHBondContact CA-OD1 3.42Å; R108-Y180 VanDerWaalsContact NH2-CE1 3.32Å
109	C	93.8	Very high	95.2	Very high	23 Å²	23	37 Å²	37	16%	0.155	19%	0.189	C	C	.	.			trans	-74.2	-27.5	-177.1	-45.8	0	0	0	0	113.5	V107 Y134 C143 N144	V107-C109 VanDerWaalsContact C-N 3.34Å; V107-C109 WeakPolarHBondContact CG1-SG 3.48Å; V107-C109 PolarHBondContact O-N 3.25Å; V107-C109 VanDerWaalsContact O-N 3.13Å; C109-Y134 PolarHBondContact SG-O 3.24Å; C109-C143 WeakPolarHBondContact CB-O 3.32Å; C109-N144 PolarHBondContact N-OD1 2.8Å
110	A	91.8	Very high	95.3	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.025	16%	0.161	C	C	.	.			trans	-137.4	88.5	-170.8	0	0	0	0	0	110.3	T112 G113 N142 N144	A110-T112 PolarHBondContact O-N 3.18Å; A110-T112 VanDerWaalsContact O-N 3.14Å; A110-G113 WeakPolarHBondContact O-CA 3.35Å; A110-G113 PolarHBondContact O-N 3.03Å; A110-N142 WeakPolarHBondContact CB-OD1 3.32Å; A110-N144 PolarHBondContact N-OD1 2.93Å; A110-N144 PolarHBondContact O-ND2 3.45Å; A110-N144 VanDerWaalsContact O-ND2 3.1Å; A110-N144 PolarHBondContact O-OD1 3.29Å
111	P	81.8	Confident	95.3	Very high	126 Å²	126	30.8 Å²	30.8	82%	0.818	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.1	-178.3	-26.3	34.9	0	0	0	114.1
112	T	84.1	Confident	95.2	Very high	128 Å²	128	25.8 Å²	25.8	79%	0.785	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	2.7	175.2	57.2	0	0	0	0	112.5	A110 R114	A110-T112 PolarHBondContact O-N 3.18Å; A110-T112 VanDerWaalsContact O-N 3.14Å; T112-R114 PolarHBondContact O-N 3.36Å
113	G	86.6	Confident	94.9	Very high	12 Å²	12	27.9 Å²	27.9	12%	0.124	15%	0.151	C	C	.	.			trans	-68.3	127.2	178.6	0	0	0	0	0	110.3	A110 N142	A110-G113 WeakPolarHBondContact O-CA 3.35Å; A110-G113 PolarHBondContact O-N 3.03Å; G113-N142 WeakPolarHBondContact CA-O 3.18Å
114	R	92.4	Very high	94.6	Very high	108 Å²	108	30.2 Å²	30.2	41%	0.408	17%	0.17	S	C	.	.	S	Bend	trans	-67.7	-46.3	178.8	175.3	178.9	177.3	161.8	-4.1	111.7	T112 N186 N310	T112-R114 PolarHBondContact O-N 3.36Å; R114-N186 WeakPolarHBondContact CG-OD1 3.28Å; R114-N186 PolarHBondContact NE-OD1 3.4Å; R114-N310 PolarHBondContact NH1-O 2.82Å
115	Y	97.5	Very high	94.4	Very high	12 Å²	12	31.8 Å²	31.8	5%	0.047	18%	0.179	C	C	.	.			trans	-92.9	145.9	-171.1	-59.5	-67.8	0	0	0	111.6	C143 N144 N186 I188 A209 I304 L308	Y115-C143 WeakPolarHBondContact O-CA 3.39Å; Y115-N144 PolarHBondContact O-N 2.96Å; Y115-N144 VanDerWaalsContact O-N 3.13Å; Y115-N186 WeakPolarHBondContact CA-O 3.49Å; Y115-I188 HydrophobicContact CD1-CD1 4.23Å; Y115-I188 HydrophobicContact CD1-CG1 4.24Å; Y115-I188 HydrophobicContact CD2-CD1 4.26Å; Y115-I188 HydrophobicContact CG-CD1 3.84Å; Y115-I188 HydrophobicContact CG-CG1 4.29Å; Y115-A209 HydrophobicContact CD1-CB 3.93Å; Y115-A209 HydrophobicContact CE1-CB 3.8Å; Y115-I304 HydrophobicContact CD2-CG2 3.79Å; Y115-I304 HydrophobicContact CE2-CG2 4.28Å; Y115-L308 HydrophobicContact CD2-CD1 4.48Å; Y115-L308 HydrophobicContact CE1-CD1 4.22Å; Y115-L308 HydrophobicContact CE2-CB 4.42Å; Y115-L308 HydrophobicContact CE2-CD1 4.04Å; Y115-L308 WeakPolarHBondContact OH-CB 3.36Å
116	T	98.4	Very high	94.3	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.5	167.7	-58.6	0	0	0	0	109	F106 N144 F146 L176 N186 I187 I188	F106-T116 HydrophobicContact CE2-CG2 3.73Å; F106-T116 HydrophobicContact CZ-CG2 4.13Å; T116-N144 CarbonylContact C-O 3.59Å; T116-N144 WeakPolarHBondContact CA-O 3.49Å; T116-N144 HydrophobicContact CG2-CB 4.1Å; T116-F146 HydrophobicContact CG2-CB 4.14Å; T116-L176 HydrophobicContact CG2-CD1 3.95Å; T116-L176 HydrophobicContact CG2-CD2 4.22Å; T116-N186 PolarHBondContact N-O 2.89Å; T116-I187 WeakPolarHBondContact O-CA 3.34Å; T116-I188 PolarHBondContact O-N 3.34Å
117	L	98.8	Very high	94.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.4	170.9	-55.7	-166	0	0	0	109.1	F119 L137 I141 C143 N144 V145 F146 I188 Y190	L117-F119 HydrophobicContact CD1-CD2 4.39Å; L117-L137 HydrophobicContact CD1-CD2 4.14Å; L117-I141 HydrophobicContact CD1-CD1 3.81Å; L117-I141 HydrophobicContact CD2-CD1 4.49Å; L117-I141 HydrophobicContact CG-CD1 4.43Å; L117-C143 HydrophobicContact CD2-CB 4.27Å; L117-C143 HydrophobicContact CG-CB 4.1Å; L117-N144 PolarHBondContact N-O 3.27Å; L117-V145 HydrophobicContact CB-CG1 4.48Å; L117-V145 HydrophobicContact CB-CG2 4.48Å; L117-V145 HydrophobicContact CD1-CG2 4.32Å; L117-V145 HydrophobicContact CG-CG2 4.47Å; L117-F146 WeakPolarHBondContact O-CA 3.39Å; L117-F146 PolarHBondContact O-N 3.45Å; L117-F146 VanDerWaalsContact O-O 3.12Å; L117-I188 CarbonylContact C-O 3.57Å; L117-I188 VanDerWaalsContact CA-O 3.3Å; L117-I188 WeakPolarHBondContact CA-O 3.44Å; L117-I188 HydrophobicContact CD2-CB 3.68Å; L117-I188 HydrophobicContact CD2-CD1 4.14Å; L117-I188 HydrophobicContact CD2-CG1 4.45Å; L117-I188 HydrophobicContact CD2-CG2 3.84Å; L117-Y190 HydrophobicContact CD1-CD2 4.24Å
118	L	98.9	Very high	94.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	99.1	156.9	171.9	54.3	0	0	0	107	F146 Y148 I169 A172 W173 L176 I187 I188 L189 Y190 L202	L118-F146 CarbonylContact C-O 3.58Å; L118-F146 WeakPolarHBondContact CA-O 3.39Å; L118-F146 HydrophobicContact CD1-CD1 3.52Å; L118-F146 HydrophobicContact CD1-CE1 4.07Å; L118-Y148 HydrophobicContact CD1-CD1 3.99Å; L118-Y148 HydrophobicContact CD1-CE1 3.91Å; L118-I169 HydrophobicContact CD2-CG1 4.25Å; L118-A172 HydrophobicContact CD1-CB 3.89Å; L118-W173 HydrophobicContact CD2-CB 4.19Å; L118-W173 HydrophobicContact CD2-CE3 4.06Å; L118-L176 HydrophobicContact CB-CD2 4.1Å; L118-I187 HydrophobicContact CB-CG2 3.96Å; L118-I188 PolarHBondContact N-O 3.44Å; L118-L189 HydrophobicContact CB-CD2 3.87Å; L118-L189 HydrophobicContact CD2-CD2 3.69Å; L118-L189 HydrophobicContact CG-CD2 4.07Å; L118-Y190 PolarHBondContact O-N 3.12Å; L118-L202 HydrophobicContact CD2-CD2 4.05Å
119	F	98.9	Very high	94.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.6	-171.4	-159.5	-73	0	0	0	111.1	L117 H121 M130 F133 Y134 L137 V145 F146 S147 Y190 Q192	L117-F119 HydrophobicContact CD1-CD2 4.39Å; F119-H121 HydrophobicContact CD1-CB 4.41Å; F119-H121 HydrophobicContact CE1-CB 4.4Å; F119-M130 HydrophobicContact CE1-CE 4.11Å; F119-M130 HydrophobicContact CZ-CE 4.47Å; F119-F133 AromaticContact CE2-CE1 3.86Å; F119-F133 HydrophobicContact CE2-CE1 3.86Å; F119-F133 AromaticContact CZ-CE1 3.72Å; F119-F133 HydrophobicContact CZ-CE1 3.72Å; F119-F133 HydrophobicContact CZ-CZ 4.49Å; F119-Y134 HydrophobicContact CB-CE1 4.29Å; F119-Y134 AromaticContact CD1-CE1 3.59Å; F119-Y134 HydrophobicContact CD1-CE1 3.59Å; F119-Y134 HydrophobicContact CD2-CE1 4.24Å; F119-Y134 AromaticContact CE1-CE1 3.9Å; F119-Y134 HydrophobicContact CE1-CE1 3.9Å; F119-Y134 HydrophobicContact CG-CD1 4.47Å; F119-Y134 AromaticContact CG-CE1 3.78Å; F119-Y134 HydrophobicContact CG-CE1 3.78Å; F119-Y134 HydrophobicContact CZ-CE1 4.36Å; F119-L137 HydrophobicContact CE2-CD2 4.04Å; F119-V145 HydrophobicContact CB-CG1 4.08Å; F119-F146 PolarHBondContact N-O 3.46Å; F119-S147 PolarHBondContact O-OG 2.84Å; F119-Y190 CarbonylContact C-O 3.52Å; F119-Y190 VanDerWaalsContact CA-O 3.31Å; F119-Y190 WeakPolarHBondContact CA-O 3.47Å; F119-Y190 AromaticContact CD2-CD1 3.51Å; F119-Y190 HydrophobicContact CD2-CD1 3.51Å; F119-Y190 HydrophobicContact CD2-CD2 4.23Å; F119-Y190 HydrophobicContact CD2-CE1 4.21Å; F119-Y190 AromaticContact CD2-CG 3.58Å; F119-Y190 HydrophobicContact CD2-CG 3.58Å; F119-Y190 HydrophobicContact CE1-CD1 4.21Å; F119-Y190 HydrophobicContact CE1-CE1 4.48Å; F119-Y190 AromaticContact CE2-CD1 3.13Å; F119-Y190 HydrophobicContact CE2-CD1 3.13Å; F119-Y190 HydrophobicContact CE2-CD2 4.04Å; F119-Y190 AromaticContact CE2-CE1 3.35Å; F119-Y190 HydrophobicContact CE2-CE1 3.35Å; F119-Y190 HydrophobicContact CE2-CE2 4.19Å; F119-Y190 AromaticContact CE2-CG 3.56Å; F119-Y190 HydrophobicContact CE2-CG 3.56Å; F119-Y190 AromaticContact CE2-CZ 3.91Å; F119-Y190 HydrophobicContact CG-CD1 4.2Å; F119-Y190 HydrophobicContact CG-CG 4.43Å; F119-Y190 AromaticContact CZ-CD1 3.52Å; F119-Y190 HydrophobicContact CZ-CD1 3.52Å; F119-Y190 AromaticContact CZ-CE1 3.52Å; F119-Y190 HydrophobicContact CZ-CE1 3.52Å; F119-Y190 HydrophobicContact CZ-CG 4.39Å; F119-Q192 HydrophobicContact CE1-CB 4.28Å; F119-Q192 HydrophobicContact CZ-CB 4.3Å
120	S	98.9	Very high	94.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	108.6	169.4	-59.8	0	0	0	0	108.9	Y148 Y150 Y190 Q192 G195 T199	S120-Y148 PolarHBondContact OG-OH 3.25Å; S120-Y150 VanDerWaalsContact C-OH 3.31Å; S120-Y190 PolarHBondContact N-O 3.33Å; S120-Q192 PolarHBondContact O-N 3.44Å; S120-G195 VanDerWaalsContact CB-O 3.23Å; S120-G195 WeakPolarHBondContact CB-O 3.46Å; S120-T199 PolarHBondContact OG-OG1 3.46Å
121	H	98.4	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.			trans	-71.6	167	-171.9	66.1	79.7	0	0	0	114.6	F119 V125 M130 Y148 D149 Y150 Y153	F119-H121 HydrophobicContact CD1-CB 4.41Å; F119-H121 HydrophobicContact CE1-CB 4.4Å; H121-V125 HydrophobicContact CB-CG2 4.08Å; H121-V125 PolarHBondContact CE1-O 3.18Å; H121-V125 VanDerWaalsContact CE1-O 3.27Å; H121-M130 HydrophobicContact CB-CG 4.32Å; H121-Y148 PolarHBondContact CD2-O 3.16Å; H121-Y148 PolarHBondContact NE2-O 2.86Å; H121-D149 IonicContact NE2-OD1 3.19Å; H121-Y150 AromaticContact CE1-CD2 3.51Å; H121-Y150 AromaticContact CE1-CE2 3.4Å; H121-Y150 WeakPolarHBondContact CE1-CE2 3.29Å; H121-Y150 PolarHBondContact N-OH 3.16Å; H121-Y150 AromaticContact ND1-CE2 3.64Å; H121-Y150 AromaticContact NE2-CD2 3.82Å; H121-Y150 AromaticContact NE2-CE2 3.78Å; H121-Y150 WeakPolarHBondContact O-CE2 3.49Å; H121-Y150 PolarHBondContact O-OH 2.97Å; H121-Y153 AromaticContact CE1-CD1 3.92Å
122	G	95.5	Very high	95	Very high	7 Å²	7	25.3 Å²	25.3	7%	0.072	15%	0.145	C	C	.	.			trans	-67.3	-179.3	175.8	0	0	0	0	0	113.9	V125	G122-V125 WeakPolarHBondContact O-CG2 3.48Å
123	N	93.3	Very high	95.5	Very high	45 Å²	45	21.6 Å²	21.6	24%	0.241	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	165	169.9	-164.3	11.5	0	0	0	110.3	A34 L36 V125 Y153 I194	A34-N123 PolarHBondContact O-ND2 3Å; L36-N123 PolarHBondContact N-OD1 3.49Å; N123-V125 PolarHBondContact O-N 3.45Å; N123-Y153 PolarHBondContact OD1-OH 3.32Å; N123-I194 HydrophobicContact CB-CG2 4.03Å
124	A	91.8	Very high	96	Very high	50 Å²	50	21 Å²	21	41%	0.413	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	18.7	172.3	0	0	0	0	0	117.1	L36	L36-A124 HydrophobicContact CB-CB 4.33Å; L36-A124 WeakPolarHBondContact O-CA 3.34Å; L36-A124 PolarHBondContact O-N 3.45Å
125	V	93.6	Very high	96.2	Very high	33 Å²	33	16.8 Å²	16.8	20%	0.2	10%	0.097	C	C	.	.			trans	-130.5	156.6	173.6	-61.6	0	0	0	0	110.5	H121 G122 N123 M130 Y153	H121-V125 HydrophobicContact CB-CG2 4.08Å; H121-V125 PolarHBondContact CE1-O 3.18Å; H121-V125 VanDerWaalsContact CE1-O 3.27Å; G122-V125 WeakPolarHBondContact O-CG2 3.48Å; N123-V125 PolarHBondContact O-N 3.45Å; V125-M130 HydrophobicContact CB-CG 4.06Å; V125-M130 HydrophobicContact CB-SD 4.13Å; V125-M130 HydrophobicContact CG1-SD 4.31Å; V125-M130 HydrophobicContact CG2-CG 3.85Å; V125-M130 HydrophobicContact CG2-SD 3.88Å; V125-Y153 WeakPolarHBondContact O-CD1 3.36Å
126	D	96.8	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.103	C	C	.	.			trans	-122.3	175	167.4	76.2	-2.5	0	0	0	111.7	P38 P40 T41 Y42 G128 Q129 M130 D149	P38-D126 HydrophobicContact CG-CB 4.17Å; P40-D126 WeakPolarHBondContact CA-OD2 3.37Å; T41-D126 PolarHBondContact N-OD2 3.48Å; T41-D126 PolarHBondContact OG1-OD1 3.24Å; T41-D126 PolarHBondContact OG1-OD2 2.9Å; Y42-D126 WeakPolarHBondContact CD1-OD2 3.44Å; Y42-D126 HydrophobicContact CE1-CB 4.29Å; D126-G128 PolarHBondContact O-N 3.5Å; D126-G128 PolarHBondContact OD1-N 2.94Å; D126-G128 VanDerWaalsContact OD1-N 3.13Å; D126-Q129 PolarHBondContact O-N 2.82Å; D126-Q129 PolarHBondContact OD1-N 2.83Å; D126-Q129 VanDerWaalsContact OD1-N 3.08Å; D126-M130 WeakPolarHBondContact O-CG 3.48Å; D126-M130 PolarHBondContact O-N 2.9Å; D126-M130 VanDerWaalsContact O-N 3.11Å; D126-D149 VanDerWaalsContact CA-OD1 3.3Å; D126-D149 WeakPolarHBondContact CA-OD1 3.28Å; D126-D149 WeakPolarHBondContact CB-OD1 3.29Å
127	L	96.9	Very high	96	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-29.5	-179.2	-58.6	-178	0	0	0	113.9	Y42 M105 M130 C131 Y134 S147 D149	Y42-L127 HydrophobicContact CE1-CB 3.79Å; Y42-L127 WeakPolarHBondContact OH-CD1 3.42Å; M105-L127 HydrophobicContact CB-CB 4.42Å; M105-L127 HydrophobicContact CB-CD1 3.63Å; M105-L127 HydrophobicContact CB-CG 4.42Å; M105-L127 HydrophobicContact CE-CB 3.77Å; M105-L127 WeakPolarHBondContact CE-O 3.32Å; M105-L127 HydrophobicContact SD-CB 4.31Å; L127-M130 PolarHBondContact O-N 2.88Å; L127-C131 WeakPolarHBondContact O-CB 3.32Å; L127-C131 PolarHBondContact O-N 2.77Å; L127-Y134 HydrophobicContact CD2-CE2 4.12Å; L127-S147 WeakPolarHBondContact CD2-OG 3.28Å; L127-D149 HydrophobicContact CG-CB 4.48Å; L127-D149 PolarHBondContact N-OD1 2.89Å
128	G	95.1	Very high	95.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-46.4	178.9	0	0	0	0	0	111.7	T41 Y42 D126 C131	T41-G128 WeakPolarHBondContact OG1-CA 3.28Å; Y42-G128 VanDerWaalsContact CD1-N 3.32Å; D126-G128 PolarHBondContact O-N 3.5Å; D126-G128 PolarHBondContact OD1-N 2.94Å; D126-G128 VanDerWaalsContact OD1-N 3.13Å; G128-C131 WeakPolarHBondContact O-CB 3.33Å; G128-C131 PolarHBondContact O-N 2.72Å
129	Q	93.9	Very high	95.7	Very high	66 Å²	66	20.1 Å²	20.1	31%	0.308	13%	0.125	S	C	.	.	H	α-helix	trans	-66.6	-37.9	175.7	-65.4	176.1	-68.1	0	0	112	T41 D126 C131	T41-Q129 HydrophobicContact CG2-CG 3.53Å; T41-Q129 PolarHBondContact OG1-N 2.88Å; D126-Q129 PolarHBondContact O-N 2.82Å; D126-Q129 PolarHBondContact OD1-N 2.83Å; D126-Q129 VanDerWaalsContact OD1-N 3.08Å; Q129-C131 VanDerWaalsContact C-N 3.32Å; Q129-C131 PolarHBondContact O-N 2.93Å
130	M	95.5	Very high	95.5	Very high	18 Å²	18	27.2 Å²	27.2	9%	0.089	15%	0.152	C	C	.	.	H	α-helix	trans	-79.6	-12.1	-177	-65.9	-63.4	-65	0	0	114.1	F119 H121 V125 D126 L127 S132 F133 Y134	F119-M130 HydrophobicContact CE1-CE 4.11Å; F119-M130 HydrophobicContact CZ-CE 4.47Å; H121-M130 HydrophobicContact CB-CG 4.32Å; V125-M130 HydrophobicContact CB-CG 4.06Å; V125-M130 HydrophobicContact CB-SD 4.13Å; V125-M130 HydrophobicContact CG1-SD 4.31Å; V125-M130 HydrophobicContact CG2-CG 3.85Å; V125-M130 HydrophobicContact CG2-SD 3.88Å; D126-M130 WeakPolarHBondContact O-CG 3.48Å; D126-M130 PolarHBondContact O-N 2.9Å; D126-M130 VanDerWaalsContact O-N 3.11Å; L127-M130 PolarHBondContact O-N 2.88Å; M130-S132 PolarHBondContact O-N 2.76Å; M130-F133 HydrophobicContact CE-CD1 3.59Å; M130-F133 HydrophobicContact CE-CE1 4.06Å; M130-F133 HydrophobicContact CE-CG 4.26Å; M130-F133 WeakPolarHBondContact O-CB 3.42Å; M130-F133 PolarHBondContact O-N 2.84Å; M130-F133 VanDerWaalsContact O-N 3.17Å; M130-Y134 HydrophobicContact CB-CD2 4.08Å; M130-Y134 HydrophobicContact CB-CE1 3.95Å; M130-Y134 HydrophobicContact CB-CE2 3.37Å; M130-Y134 WeakPolarHBondContact CB-OH 3.42Å; M130-Y134 HydrophobicContact CE-CE1 3.8Å; M130-Y134 HydrophobicContact CG-CE2 4.5Å; M130-Y134 VanDerWaalsContact O-CD2 3.3Å; M130-Y134 WeakPolarHBondContact O-CD2 3.33Å; M130-Y134 VanDerWaalsContact O-CG 3.27Å; M130-Y134 PolarHBondContact O-N 2.78Å
131	C	95.4	Very high	95.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.9	-45.7	-172.9	-171.2	0	0	0	0	113	W79 M105 L127 G128 Q129 F133 Y134 I135	W79-C131 HydrophobicContact CZ2-CB 4.03Å; M105-C131 HydrophobicContact CE-CB 4.07Å; M105-C131 HydrophobicContact SD-CB 4.16Å; L127-C131 WeakPolarHBondContact O-CB 3.32Å; L127-C131 PolarHBondContact O-N 2.77Å; G128-C131 WeakPolarHBondContact O-CB 3.33Å; G128-C131 PolarHBondContact O-N 2.72Å; Q129-C131 VanDerWaalsContact C-N 3.32Å; Q129-C131 PolarHBondContact O-N 2.93Å; C131-F133 VanDerWaalsContact C-N 3.33Å; C131-F133 PolarHBondContact O-N 2.78Å; C131-Y134 PolarHBondContact O-N 2.77Å; C131-I135 WeakPolarHBondContact O-CG1 3.31Å; C131-I135 PolarHBondContact O-N 2.83Å; C131-I135 VanDerWaalsContact O-N 3.09Å
132	S	94.1	Very high	95.3	Very high	46 Å²	46	31.5 Å²	31.5	32%	0.322	18%	0.175	S	C	.	.	H	α-helix	trans	-61.1	-43.5	179.1	69.4	0	0	0	0	111.8	M130 I135 G136	M130-S132 PolarHBondContact O-N 2.76Å; S132-I135 PolarHBondContact O-N 3.02Å; S132-G136 PolarHBondContact O-N 2.93Å
133	F	95.3	Very high	95.4	Very high	50 Å²	50	31.2 Å²	31.2	22%	0.219	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-44.1	177	173.6	-97.9	0	0	0	111.1	F119 M130 C131 I135 G136 L137 E291	F119-F133 AromaticContact CE2-CE1 3.86Å; F119-F133 HydrophobicContact CE2-CE1 3.86Å; F119-F133 AromaticContact CZ-CE1 3.72Å; F119-F133 HydrophobicContact CZ-CE1 3.72Å; F119-F133 HydrophobicContact CZ-CZ 4.49Å; M130-F133 HydrophobicContact CE-CD1 3.59Å; M130-F133 HydrophobicContact CE-CE1 4.06Å; M130-F133 HydrophobicContact CE-CG 4.26Å; M130-F133 WeakPolarHBondContact O-CB 3.42Å; M130-F133 PolarHBondContact O-N 2.84Å; M130-F133 VanDerWaalsContact O-N 3.17Å; C131-F133 VanDerWaalsContact C-N 3.33Å; C131-F133 PolarHBondContact O-N 2.78Å; F133-I135 PolarHBondContact O-N 3.49Å; F133-G136 PolarHBondContact O-N 3.05Å; F133-L137 HydrophobicContact CE1-CB 4.43Å; F133-L137 HydrophobicContact CE1-CD2 3.76Å; F133-L137 HydrophobicContact CZ-CB 4.42Å; F133-L137 HydrophobicContact CZ-CD2 3.84Å; F133-L137 WeakPolarHBondContact O-CB 3.3Å; F133-L137 PolarHBondContact O-N 3.06Å; F133-E291 HydrophobicContact CE2-CB 4.36Å; F133-E291 HydrophobicContact CE2-CG 3.92Å; F133-E291 HydrophobicContact CZ-CG 4.23Å
134	Y	97.5	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-43.4	178.4	-61.8	-31.9	0	0	0	113	M105 V107 C109 F119 L127 M130 C131 G138 V145 S147	M105-Y134 HydrophobicContact SD-CD2 3.99Å; M105-Y134 HydrophobicContact SD-CE2 4.34Å; V107-Y134 HydrophobicContact CG2-CD2 4.42Å; C109-Y134 PolarHBondContact SG-O 3.24Å; F119-Y134 HydrophobicContact CB-CE1 4.29Å; F119-Y134 AromaticContact CD1-CE1 3.59Å; F119-Y134 HydrophobicContact CD1-CE1 3.59Å; F119-Y134 HydrophobicContact CD2-CE1 4.24Å; F119-Y134 AromaticContact CE1-CE1 3.9Å; F119-Y134 HydrophobicContact CE1-CE1 3.9Å; F119-Y134 HydrophobicContact CG-CD1 4.47Å; F119-Y134 AromaticContact CG-CE1 3.78Å; F119-Y134 HydrophobicContact CG-CE1 3.78Å; F119-Y134 HydrophobicContact CZ-CE1 4.36Å; L127-Y134 HydrophobicContact CD2-CE2 4.12Å; M130-Y134 HydrophobicContact CB-CD2 4.08Å; M130-Y134 HydrophobicContact CB-CE1 3.95Å; M130-Y134 HydrophobicContact CB-CE2 3.37Å; M130-Y134 WeakPolarHBondContact CB-OH 3.42Å; M130-Y134 HydrophobicContact CE-CE1 3.8Å; M130-Y134 HydrophobicContact CG-CE2 4.5Å; M130-Y134 VanDerWaalsContact O-CD2 3.3Å; M130-Y134 WeakPolarHBondContact O-CD2 3.33Å; M130-Y134 VanDerWaalsContact O-CG 3.27Å; M130-Y134 PolarHBondContact O-N 2.78Å; C131-Y134 PolarHBondContact O-N 2.77Å; Y134-G138 PolarHBondContact O-N 3.12Å; Y134-V145 HydrophobicContact CD1-CG1 3.71Å; Y134-V145 HydrophobicContact CD2-CG1 4.45Å; Y134-V145 HydrophobicContact CE1-CG1 4.35Å; Y134-V145 HydrophobicContact CG-CG1 3.77Å; Y134-S147 PolarHBondContact OH-OG 3.49Å
135	I	95.2	Very high	96	Very high	19 Å²	19	27.5 Å²	27.5	10%	0.097	15%	0.145	C	C	.	.	H	α-helix	trans	-60.5	-51.1	175.2	-68.5	163.1	0	0	0	109.8	W79 E85 V89 V107 C131 S132 F133 S139	W79-I135 HydrophobicContact CH2-CD1 3.47Å; W79-I135 VanDerWaalsContact CH2-CD1 3.47Å; W79-I135 HydrophobicContact CZ2-CD1 4.2Å; W79-I135 HydrophobicContact CZ3-CD1 4.28Å; E85-I135 HydrophobicContact CB-CD1 4.01Å; E85-I135 HydrophobicContact CG-CD1 4.36Å; E85-I135 HydrophobicContact CG-CG2 4.31Å; V89-I135 HydrophobicContact CG2-CD1 4.19Å; V107-I135 HydrophobicContact CG1-CB 4.45Å; V107-I135 HydrophobicContact CG1-CG1 3.44Å; V107-I135 VanDerWaalsContact CG1-CG1 3.44Å; C131-I135 WeakPolarHBondContact O-CG1 3.31Å; C131-I135 PolarHBondContact O-N 2.83Å; C131-I135 VanDerWaalsContact O-N 3.09Å; S132-I135 PolarHBondContact O-N 3.02Å; F133-I135 PolarHBondContact O-N 3.49Å; I135-S139 VanDerWaalsContact O-CB 3.28Å; I135-S139 WeakPolarHBondContact O-CB 3.4Å; I135-S139 PolarHBondContact O-N 3.04Å; I135-S139 VanDerWaalsContact O-N 3.09Å; I135-S139 PolarHBondContact O-OG 3.15Å
136	G	94.9	Very high	96.2	Very high	16 Å²	16	25.9 Å²	25.9	17%	0.165	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-41	-177.6	0	0	0	0	0	113.3	S132 F133 R140	S132-G136 PolarHBondContact O-N 2.93Å; F133-G136 PolarHBondContact O-N 3.05Å; G136-R140 VanDerWaalsContact CA-NH1 3.3Å; G136-R140 WeakPolarHBondContact O-CD 3.38Å; G136-R140 WeakPolarHBondContact O-CG 3.48Å; G136-R140 PolarHBondContact O-N 3.15Å; G136-R140 PolarHBondContact O-NH1 2.91Å
137	L	96.6	Very high	96.3	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-61	177.3	177.7	62.3	0	0	0	109.6	L117 F119 F133 S139 R140 I141 Y296 L297 L300	L117-L137 HydrophobicContact CD1-CD2 4.14Å; F119-L137 HydrophobicContact CE2-CD2 4.04Å; F133-L137 HydrophobicContact CE1-CB 4.43Å; F133-L137 HydrophobicContact CE1-CD2 3.76Å; F133-L137 HydrophobicContact CZ-CB 4.42Å; F133-L137 HydrophobicContact CZ-CD2 3.84Å; F133-L137 WeakPolarHBondContact O-CB 3.3Å; F133-L137 PolarHBondContact O-N 3.06Å; L137-S139 VanDerWaalsContact C-N 3.25Å; L137-S139 PolarHBondContact O-N 3.33Å; L137-R140 PolarHBondContact O-N 2.76Å; L137-I141 HydrophobicContact CD1-CD1 4.05Å; L137-I141 HydrophobicContact CD1-CG1 4.47Å; L137-I141 HydrophobicContact CD1-CG2 4.26Å; L137-I141 HydrophobicContact CG-CD1 3.97Å; L137-I141 HydrophobicContact CG-CG1 4.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.36Å; L137-I141 PolarHBondContact O-N 3.31Å; L137-I141 VanDerWaalsContact O-N 3.08Å; L137-Y296 HydrophobicContact CD1-CE1 4.23Å; L137-L297 HydrophobicContact CD1-CD2 3.97Å; L137-L300 HydrophobicContact CD1-CD1 3.89Å
138	G	96.9	Very high	96.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.1	-40	-174	0	0	0	0	0	113	Y134 R140 I141 N142 C143	Y134-G138 PolarHBondContact O-N 3.12Å; G138-R140 VanDerWaalsContact C-N 3.34Å; G138-R140 PolarHBondContact O-N 3.14Å; G138-I141 PolarHBondContact O-N 2.97Å; G138-N142 WeakPolarHBondContact O-CA 3.4Å; G138-N142 PolarHBondContact O-N 3.48Å; G138-C143 CarbonylContact C-O 3.55Å; G138-C143 VanDerWaalsContact C-O 3.32Å; G138-C143 WeakPolarHBondContact CA-O 3.19Å; G138-C143 PolarHBondContact O-N 3.44Å
139	S	95.1	Very high	96.6	Very high	68 Å²	68	25.9 Å²	25.9	48%	0.476	14%	0.135	S	C	.	.	H	α-helix	trans	-64.8	-37.3	176.6	-56.3	0	0	0	0	112.5	I135 L137	I135-S139 VanDerWaalsContact O-CB 3.28Å; I135-S139 WeakPolarHBondContact O-CB 3.4Å; I135-S139 PolarHBondContact O-N 3.04Å; I135-S139 VanDerWaalsContact O-N 3.09Å; I135-S139 PolarHBondContact O-OG 3.15Å; L137-S139 VanDerWaalsContact C-N 3.25Å; L137-S139 PolarHBondContact O-N 3.33Å
140	R	95.9	Very high	96.8	Very high	148 Å²	148	22.9 Å²	22.9	56%	0.558	12%	0.121	S	C	*	.	H	α-helix	trans	-78.1	-27	-177.6	-71.7	176.9	-177	108	-8.4	113.2	G136 L137 G138 L297 K301	G136-R140 VanDerWaalsContact CA-NH1 3.3Å; G136-R140 WeakPolarHBondContact O-CD 3.38Å; G136-R140 WeakPolarHBondContact O-CG 3.48Å; G136-R140 PolarHBondContact O-N 3.15Å; G136-R140 PolarHBondContact O-NH1 2.91Å; L137-R140 PolarHBondContact O-N 2.76Å; G138-R140 VanDerWaalsContact C-N 3.34Å; G138-R140 PolarHBondContact O-N 3.14Å; R140-L297 HydrophobicContact CB-CD2 4.42Å; R140-K301 WeakPolarHBondContact O-CE 3.27Å
141	I	96.1	Very high	96.9	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	10.1	178.6	65.3	171.9	0	0	0	113.2	L117 L137 G138 C143 L297 L300 K301 I304	L117-I141 HydrophobicContact CD1-CD1 3.81Å; L117-I141 HydrophobicContact CD2-CD1 4.49Å; L117-I141 HydrophobicContact CG-CD1 4.43Å; L137-I141 HydrophobicContact CD1-CD1 4.05Å; L137-I141 HydrophobicContact CD1-CG1 4.47Å; L137-I141 HydrophobicContact CD1-CG2 4.26Å; L137-I141 HydrophobicContact CG-CD1 3.97Å; L137-I141 HydrophobicContact CG-CG1 4.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.36Å; L137-I141 PolarHBondContact O-N 3.31Å; L137-I141 VanDerWaalsContact O-N 3.08Å; G138-I141 PolarHBondContact O-N 2.97Å; I141-C143 VanDerWaalsContact C-N 3.33Å; I141-C143 HydrophobicContact CD1-CB 4.13Å; I141-C143 HydrophobicContact CG1-CB 4.03Å; I141-C143 PolarHBondContact O-N 3.09Å; I141-C143 PolarHBondContact O-SG 2.95Å; I141-C143 VanDerWaalsContact O-SG 3.38Å; I141-L297 HydrophobicContact CG2-CD2 4.48Å; I141-L300 HydrophobicContact CG2-CB 4.02Å; I141-K301 HydrophobicContact CG2-CG 4.19Å; I141-I304 HydrophobicContact CB-CD1 4.09Å; I141-I304 HydrophobicContact CD1-CD1 3.66Å; I141-I304 HydrophobicContact CG1-CD1 4.28Å
142	N	96.1	Very high	96.9	Very high	87 Å²	87	23.2 Å²	23.2	47%	0.465	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	44	179.6	-167.2	44.3	0	0	0	114.1	A110 G113 G138	A110-N142 WeakPolarHBondContact CB-OD1 3.32Å; G113-N142 WeakPolarHBondContact CA-O 3.18Å; G138-N142 WeakPolarHBondContact O-CA 3.4Å; G138-N142 PolarHBondContact O-N 3.48Å
143	C	97.6	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.			trans	-126.9	145.3	178.5	-66.2	0	0	0	0	110.8	C109 Y115 L117 G138 I141	C109-C143 WeakPolarHBondContact CB-O 3.32Å; Y115-C143 WeakPolarHBondContact O-CA 3.39Å; L117-C143 HydrophobicContact CD2-CB 4.27Å; L117-C143 HydrophobicContact CG-CB 4.1Å; G138-C143 CarbonylContact C-O 3.55Å; G138-C143 VanDerWaalsContact C-O 3.32Å; G138-C143 WeakPolarHBondContact CA-O 3.19Å; G138-C143 PolarHBondContact O-N 3.44Å; I141-C143 VanDerWaalsContact C-N 3.33Å; I141-C143 HydrophobicContact CD1-CB 4.13Å; I141-C143 HydrophobicContact CG1-CB 4.03Å; I141-C143 PolarHBondContact O-N 3.09Å; I141-C143 PolarHBondContact O-SG 2.95Å; I141-C143 VanDerWaalsContact O-SG 3.38Å
144	N	98.2	Very high	97.2	Very high	17 Å²	17	19.3 Å²	19.3	9%	0.091	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	157.8	163.6	-57.7	-63	0	0	0	109.6	F106 R108 C109 A110 Y115 T116 L117	F106-N144 HydrophobicContact CE2-CB 3.57Å; F106-N144 HydrophobicContact CZ-CB 4.12Å; R108-N144 WeakPolarHBondContact CA-OD1 3.42Å; C109-N144 PolarHBondContact N-OD1 2.8Å; A110-N144 PolarHBondContact N-OD1 2.93Å; A110-N144 PolarHBondContact O-ND2 3.45Å; A110-N144 VanDerWaalsContact O-ND2 3.1Å; A110-N144 PolarHBondContact O-OD1 3.29Å; Y115-N144 PolarHBondContact O-N 2.96Å; Y115-N144 VanDerWaalsContact O-N 3.13Å; T116-N144 CarbonylContact C-O 3.59Å; T116-N144 WeakPolarHBondContact CA-O 3.49Å; T116-N144 HydrophobicContact CG2-CB 4.1Å; L117-N144 PolarHBondContact N-O 3.27Å
145	V	98.7	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	116	-177.9	-175.6	0	0	0	0	110.4	F106 V107 L117 F119 Y134	F106-V145 WeakPolarHBondContact CD2-O 3.36Å; V107-V145 HydrophobicContact CB-CB 4.39Å; V107-V145 PolarHBondContact N-O 2.88Å; V107-V145 PolarHBondContact O-N 3.37Å; L117-V145 HydrophobicContact CB-CG1 4.48Å; L117-V145 HydrophobicContact CB-CG2 4.48Å; L117-V145 HydrophobicContact CD1-CG2 4.32Å; L117-V145 HydrophobicContact CG-CG2 4.47Å; F119-V145 HydrophobicContact CB-CG1 4.08Å; Y134-V145 HydrophobicContact CD1-CG1 3.71Å; Y134-V145 HydrophobicContact CD2-CG1 4.45Å; Y134-V145 HydrophobicContact CE1-CG1 4.35Å; Y134-V145 HydrophobicContact CG-CG1 3.77Å
146	F	98.8	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.5	169.6	-175	-79.7	0	0	0	109.1	F92 C104 M105 F106 T116 L117 L118 F119 A172 A175 L176 Y180	F92-F146 AromaticContact CE1-CE2 3.75Å; F92-F146 HydrophobicContact CE1-CE2 3.75Å; F92-F146 HydrophobicContact CE1-CZ 4.28Å; F92-F146 AromaticContact CZ-CE2 3.6Å; F92-F146 HydrophobicContact CZ-CE2 3.6Å; F92-F146 AromaticContact CZ-CZ 3.83Å; F92-F146 HydrophobicContact CZ-CZ 3.83Å; C104-F146 HydrophobicContact CB-CE2 4.36Å; C104-F146 HydrophobicContact CB-CZ 3.83Å; M105-F146 CarbonylContact O-C 3.5Å; M105-F146 WeakPolarHBondContact O-CA 3.27Å; F106-F146 HydrophobicContact CB-CD2 3.98Å; F106-F146 HydrophobicContact CD2-CB 4.22Å; F106-F146 HydrophobicContact CD2-CD2 4.41Å; F106-F146 HydrophobicContact CG-CD2 4.14Å; T116-F146 HydrophobicContact CG2-CB 4.14Å; L117-F146 WeakPolarHBondContact O-CA 3.39Å; L117-F146 PolarHBondContact O-N 3.45Å; L117-F146 VanDerWaalsContact O-O 3.12Å; L118-F146 CarbonylContact C-O 3.58Å; L118-F146 WeakPolarHBondContact CA-O 3.39Å; L118-F146 HydrophobicContact CD1-CD1 3.52Å; L118-F146 HydrophobicContact CD1-CE1 4.07Å; F119-F146 PolarHBondContact N-O 3.46Å; F146-A172 HydrophobicContact CE1-CB 3.82Å; F146-A175 HydrophobicContact CZ-CB 4.12Å; F146-L176 HydrophobicContact CB-CD1 3.88Å; F146-L176 HydrophobicContact CB-CD2 4.19Å; F146-L176 HydrophobicContact CD2-CD1 3.9Å; F146-L176 HydrophobicContact CG-CB 4.5Å; F146-L176 HydrophobicContact CG-CD1 3.93Å; F146-L176 HydrophobicContact CG-CD2 4.43Å; F146-Y180 HydrophobicContact CD2-CD2 4.38Å; F146-Y180 HydrophobicContact CD2-CE2 4.04Å; F146-Y180 HydrophobicContact CE2-CD2 4.35Å; F146-Y180 AromaticContact CE2-CE2 3.76Å; F146-Y180 HydrophobicContact CE2-CE2 3.76Å
147	S	98.8	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	166.9	178.3	-170.7	0	0	0	0	110.8	C104 M105 F119 L127 Y134	C104-S147 WeakPolarHBondContact CA-O 3.48Å; M105-S147 PolarHBondContact N-O 3.17Å; M105-S147 PolarHBondContact O-N 3.44Å; F119-S147 PolarHBondContact O-OG 2.84Å; L127-S147 WeakPolarHBondContact CD2-OG 3.28Å; Y134-S147 PolarHBondContact OH-OG 3.49Å
148	Y	98.8	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	146.4	-177.1	62.1	-79.5	0	0	0	110.6	L102 G103 L118 S120 H121 Y150 D168 I169 A172	L102-Y148 HydrophobicContact CD1-CD2 4.22Å; L102-Y148 HydrophobicContact CD2-CD2 3.98Å; L102-Y148 HydrophobicContact CD2-CG 4.2Å; L102-Y148 HydrophobicContact CG-CD2 4.43Å; G103-Y148 CarbonylContact O-C 3.57Å; G103-Y148 VanDerWaalsContact O-CA 3.24Å; G103-Y148 WeakPolarHBondContact O-CA 3.44Å; G103-Y148 WeakPolarHBondContact O-CB 3.22Å; L118-Y148 HydrophobicContact CD1-CD1 3.99Å; L118-Y148 HydrophobicContact CD1-CE1 3.91Å; S120-Y148 PolarHBondContact OG-OH 3.25Å; H121-Y148 PolarHBondContact CD2-O 3.16Å; H121-Y148 PolarHBondContact NE2-O 2.86Å; Y148-Y150 HydrophobicContact CD2-CD1 4.4Å; Y148-Y150 AromaticContact CE2-CD1 3.78Å; Y148-Y150 HydrophobicContact CE2-CD1 3.78Å; Y148-Y150 AromaticContact CE2-CE1 3.78Å; Y148-Y150 HydrophobicContact CE2-CE1 3.78Å; Y148-D168 HydrophobicContact CD2-CB 4.13Å; Y148-D168 HydrophobicContact CE2-CB 3.81Å; Y148-I169 HydrophobicContact CE1-CG1 4.1Å; Y148-I169 HydrophobicContact CE2-CB 4.46Å; Y148-I169 VanDerWaalsContact OH-CB 3.24Å; Y148-I169 WeakPolarHBondContact OH-CB 3.31Å; Y148-I169 VanDerWaalsContact OH-CG1 3.29Å; Y148-I169 WeakPolarHBondContact OH-CG1 3.46Å; Y148-A172 HydrophobicContact CD1-CB 3.36Å; Y148-A172 HydrophobicContact CD2-CB 4.33Å; Y148-A172 HydrophobicContact CE1-CB 3.76Å; Y148-A172 HydrophobicContact CG-CB 3.71Å
149	D	98.5	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-80.8	135.2	172.1	-84.1	-35.1	0	0	0	109.9	Y42 L102 G103 H121 D126 L127 G154 S156	Y42-D149 WeakPolarHBondContact CE1-OD2 3.37Å; Y42-D149 VanDerWaalsContact CZ-OD2 3.25Å; Y42-D149 PolarHBondContact OH-OD2 3.15Å; L102-D149 WeakPolarHBondContact CD1-O 3.38Å; G103-D149 PolarHBondContact O-N 2.75Å; H121-D149 IonicContact NE2-OD1 3.19Å; D126-D149 VanDerWaalsContact CA-OD1 3.3Å; D126-D149 WeakPolarHBondContact CA-OD1 3.28Å; D126-D149 WeakPolarHBondContact CB-OD1 3.29Å; L127-D149 HydrophobicContact CG-CB 4.48Å; L127-D149 PolarHBondContact N-OD1 2.89Å; D149-G154 WeakPolarHBondContact OD2-CA 3.48Å; D149-S156 WeakPolarHBondContact CB-OG 3.46Å; D149-S156 PolarHBondContact O-OG 2.81Å
150	Y	98.3	Very high	97.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-58.5	154.4	171.3	-51.5	-48.2	0	0	0	112.4	S120 H121 Y148 G152 Y153 S156 L165 I194 G195 P198	S120-Y150 VanDerWaalsContact C-OH 3.31Å; H121-Y150 AromaticContact CE1-CD2 3.51Å; H121-Y150 AromaticContact CE1-CE2 3.4Å; H121-Y150 WeakPolarHBondContact CE1-CE2 3.29Å; H121-Y150 PolarHBondContact N-OH 3.16Å; H121-Y150 AromaticContact ND1-CE2 3.64Å; H121-Y150 AromaticContact NE2-CD2 3.82Å; H121-Y150 AromaticContact NE2-CE2 3.78Å; H121-Y150 WeakPolarHBondContact O-CE2 3.49Å; H121-Y150 PolarHBondContact O-OH 2.97Å; Y148-Y150 HydrophobicContact CD2-CD1 4.4Å; Y148-Y150 AromaticContact CE2-CD1 3.78Å; Y148-Y150 HydrophobicContact CE2-CD1 3.78Å; Y148-Y150 AromaticContact CE2-CE1 3.78Å; Y148-Y150 HydrophobicContact CE2-CE1 3.78Å; Y150-G152 PolarHBondContact O-N 3.4Å; Y150-G152 VanDerWaalsContact O-N 3.07Å; Y150-Y153 HydrophobicContact CD2-CD1 4.36Å; Y150-Y153 HydrophobicContact CD2-CD2 4.34Å; Y150-Y153 HydrophobicContact CD2-CE1 4.33Å; Y150-Y153 HydrophobicContact CD2-CE2 4.34Å; Y150-Y153 HydrophobicContact CD2-CG 4.37Å; Y150-Y153 WeakPolarHBondContact O-CB 3.43Å; Y150-Y153 PolarHBondContact O-N 3.4Å; Y150-S156 VanDerWaalsContact O-CB 3.23Å; Y150-S156 WeakPolarHBondContact O-CB 3.44Å; Y150-L165 HydrophobicContact CD1-CD1 3.22Å; Y150-L165 HydrophobicContact CD2-CD1 4.2Å; Y150-L165 HydrophobicContact CE1-CD1 3.37Å; Y150-L165 HydrophobicContact CE2-CD1 4.32Å; Y150-L165 HydrophobicContact CG-CD1 3.66Å; Y150-I194 HydrophobicContact CE2-CG2 4.38Å; Y150-G195 WeakPolarHBondContact OH-CA 3.38Å; Y150-P198 HydrophobicContact CE1-CG 4.49Å
151	S	98.2	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	119	173.4	-75.4	0	0	0	0	111.1	N100 T157 K159 P160 D168	N100-S151 PolarHBondContact ND2-OG 3.44Å; S151-T157 WeakPolarHBondContact CA-O 3.49Å; S151-K159 CarbonylContact O-C 3.56Å; S151-P160 WeakPolarHBondContact O-CA 3.3Å; S151-P160 WeakPolarHBondContact O-CD 3.25Å; S151-D168 WeakPolarHBondContact CB-OD2 3.39Å; S151-D168 PolarHBondContact N-OD2 3.44Å; S151-D168 PolarHBondContact OG-OD1 2.78Å; S151-D168 PolarHBondContact OG-OD2 2.79Å
152	G	96.7	Very high	96.9	Very high	25 Å²	25	26 Å²	26	26%	0.258	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	7.3	-175.3	0	0	0	0	0	115.9	P37 Y150 S156 T157	P37-G152 VanDerWaalsContact CB-O 3.28Å; P37-G152 WeakPolarHBondContact CB-O 3.43Å; Y150-G152 PolarHBondContact O-N 3.4Å; Y150-G152 VanDerWaalsContact O-N 3.07Å; G152-S156 PolarHBondContact N-O 3.01Å; G152-T157 PolarHBondContact N-O 3.25Å
153	Y	97.4	Very high	96.9	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	16%	0.164	C	C	.	.	S	Bend	trans	-105.4	151.2	170	-76.6	-119.6	0	0	0	110.3	F35 L36 P37 H121 N123 V125 Y150 V155 S156 P160	F35-Y153 VanDerWaalsContact CA-OH 3.29Å; F35-Y153 WeakPolarHBondContact CA-OH 3.29Å; F35-Y153 HydrophobicContact CB-CE2 4.17Å; F35-Y153 WeakPolarHBondContact CB-OH 3.24Å; F35-Y153 HydrophobicContact CD1-CE2 4.16Å; L36-Y153 PolarHBondContact N-OH 2.7Å; P37-Y153 HydrophobicContact CB-CD1 3.97Å; P37-Y153 HydrophobicContact CB-CD2 3.73Å; P37-Y153 HydrophobicContact CB-CE1 4.05Å; P37-Y153 HydrophobicContact CB-CE2 3.79Å; P37-Y153 HydrophobicContact CB-CG 3.8Å; P37-Y153 HydrophobicContact CG-CD2 4.49Å; P37-Y153 HydrophobicContact CG-CE2 4.24Å; H121-Y153 AromaticContact CE1-CD1 3.92Å; N123-Y153 PolarHBondContact OD1-OH 3.32Å; V125-Y153 WeakPolarHBondContact O-CD1 3.36Å; Y150-Y153 HydrophobicContact CD2-CD1 4.36Å; Y150-Y153 HydrophobicContact CD2-CD2 4.34Å; Y150-Y153 HydrophobicContact CD2-CE1 4.33Å; Y150-Y153 HydrophobicContact CD2-CE2 4.34Å; Y150-Y153 HydrophobicContact CD2-CG 4.37Å; Y150-Y153 WeakPolarHBondContact O-CB 3.43Å; Y150-Y153 PolarHBondContact O-N 3.4Å; Y153-V155 PolarHBondContact O-N 2.93Å; Y153-V155 VanDerWaalsContact O-N 3.17Å; Y153-S156 WeakPolarHBondContact O-CA 3.48Å; Y153-S156 VanDerWaalsContact O-CB 3.26Å; Y153-S156 WeakPolarHBondContact O-CB 3.38Å; Y153-S156 PolarHBondContact O-N 3.5Å; Y153-P160 HydrophobicContact CD2-CG 4.14Å; Y153-P160 HydrophobicContact CE2-CB 4.12Å; Y153-P160 HydrophobicContact CE2-CG 3.74Å
154	G	96.2	Very high	96.9	Very high	13 Å²	13	29.5 Å²	29.5	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	-120.8	177	0	0	0	0	0	112.6	P40 D149	P40-G154 VanDerWaalsContact CG-O 3.28Å; P40-G154 WeakPolarHBondContact CG-O 3.4Å; D149-G154 WeakPolarHBondContact OD2-CA 3.48Å
155	V	96.4	Very high	96.8	Very high	25 Å²	25	28.8 Å²	28.8	15%	0.152	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.9	-179.9	-56.3	0	0	0	0	114	Y42 V44 F93 Y153	Y42-V155 HydrophobicContact CD2-CG1 4.18Å; Y42-V155 HydrophobicContact CE1-CG1 4.34Å; Y42-V155 HydrophobicContact CE2-CG1 3.88Å; Y42-V155 HydrophobicContact CE2-CG2 3.86Å; Y42-V155 WeakPolarHBondContact O-CG1 3.33Å; Y42-V155 VanDerWaalsContact OH-CG2 3.31Å; Y42-V155 WeakPolarHBondContact OH-CG2 3.48Å; V44-V155 HydrophobicContact CG2-CG2 4.12Å; F93-V155 HydrophobicContact CE1-CB 4.12Å; F93-V155 HydrophobicContact CE1-CG2 3.64Å; F93-V155 HydrophobicContact CZ-CB 4.48Å; F93-V155 HydrophobicContact CZ-CG2 4.27Å; Y153-V155 PolarHBondContact O-N 2.93Å; Y153-V155 VanDerWaalsContact O-N 3.17Å
156	S	98.1	Very high	96.8	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.063	17%	0.17	C	C	.	.			trans	-73.4	135.3	179.5	-71.9	0	0	0	0	111.5	R101 L102 G103 D149 Y150 G152 Y153	R101-S156 CarbonylContact O-C 3.57Å; R101-S156 VanDerWaalsContact O-CA 3.28Å; R101-S156 WeakPolarHBondContact O-CA 3.44Å; L102-S156 WeakPolarHBondContact CA-OG 3.29Å; G103-S156 PolarHBondContact N-OG 3.48Å; D149-S156 WeakPolarHBondContact CB-OG 3.46Å; D149-S156 PolarHBondContact O-OG 2.81Å; Y150-S156 VanDerWaalsContact O-CB 3.23Å; Y150-S156 WeakPolarHBondContact O-CB 3.44Å; G152-S156 PolarHBondContact N-O 3.01Å; Y153-S156 WeakPolarHBondContact O-CA 3.48Å; Y153-S156 VanDerWaalsContact O-CB 3.26Å; Y153-S156 WeakPolarHBondContact O-CB 3.38Å; Y153-S156 PolarHBondContact O-N 3.5Å
157	T	98.1	Very high	96.8	Very high	46 Å²	46	30.8 Å²	30.8	28%	0.282	17%	0.174	S	C	.	.			trans	-81.3	176.2	176.7	67.2	0	0	0	0	111.6	R101 S151 G152	R101-T157 HydrophobicContact CB-CG2 4Å; R101-T157 PolarHBondContact N-OG1 3.49Å; R101-T157 PolarHBondContact O-N 2.88Å; S151-T157 WeakPolarHBondContact CA-O 3.49Å; G152-T157 PolarHBondContact N-O 3.25Å
158	G	95.9	Very high	96.8	Very high	42 Å²	42	30.9 Å²	30.9	43%	0.433	17%	0.174	S	C	.	.	S	Bend	trans	91.6	-149.1	175.4	0	0	0	0	0	111.9	N100	N100-G158 WeakPolarHBondContact OD1-CA 3.5Å
159	K	94.8	Very high	96.8	Very high	162 Å²	162	30.9 Å²	30.9	70%	0.704	17%	0.174	S	C	*	.			trans	-143.1	149.5	-178	-64.2	-177	-179	177.8	0	110.8	S151 S161 N164	S151-K159 CarbonylContact O-C 3.56Å; K159-S161 PolarHBondContact O-N 2.73Å; K159-N164 PolarHBondContact O-ND2 2.94Å
160	P	92.7	Very high	96.9	Very high	33 Å²	33	33.1 Å²	33.1	21%	0.214	19%	0.186	C	C	.	.			trans	-65.6	131.4	175.9	-21.6	33.9	0	0	0	111.3	F35 P37 S151 Y153	F35-P160 HydrophobicContact CB-CB 3.41Å; F35-P160 VanDerWaalsContact CB-CB 3.41Å; F35-P160 HydrophobicContact CB-CG 3.95Å; F35-P160 HydrophobicContact CD1-CB 3.93Å; F35-P160 HydrophobicContact CD2-CB 3.45Å; F35-P160 VanDerWaalsContact CD2-CB 3.45Å; F35-P160 HydrophobicContact CE2-CB 4.13Å; F35-P160 HydrophobicContact CG-CB 3.33Å; F35-P160 HydrophobicContact CG-CG 4.36Å; P37-P160 HydrophobicContact CG-CG 4.32Å; S151-P160 WeakPolarHBondContact O-CA 3.3Å; S151-P160 WeakPolarHBondContact O-CD 3.25Å; Y153-P160 HydrophobicContact CD2-CG 4.14Å; Y153-P160 HydrophobicContact CE2-CB 4.12Å; Y153-P160 HydrophobicContact CE2-CG 3.74Å
161	S	93.5	Very high	96.9	Very high	34 Å²	34	33.5 Å²	33.5	24%	0.238	19%	0.19	C	C	.	.			trans	-165.2	155.9	170.5	66.9	0	0	0	0	109.4	K159 K163 N164 L165	K159-S161 PolarHBondContact O-N 2.73Å; S161-K163 VanDerWaalsContact C-N 3.27Å; S161-K163 PolarHBondContact O-N 3.19Å; S161-N164 PolarHBondContact O-N 3.24Å; S161-N164 PolarHBondContact OG-N 3.06Å; S161-N164 PolarHBondContact OG-ND2 3.42Å; S161-L165 WeakPolarHBondContact O-CB 3.34Å; S161-L165 PolarHBondContact O-N 3.31Å
162	E	93.5	Very high	96.9	Very high	51 Å²	51	33.5 Å²	33.5	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-53.8	-42.3	176.4	-179.2	169.6	-170.2	0	0	113.3	N164 L165 Y166 F237	E162-N164 VanDerWaalsContact C-N 3.32Å; E162-N164 PolarHBondContact O-N 3.2Å; E162-L165 WeakPolarHBondContact O-CB 3.49Å; E162-L165 PolarHBondContact O-N 2.95Å; E162-Y166 HydrophobicContact CG-CD2 4.09Å; E162-Y166 HydrophobicContact CG-CE2 3.33Å; E162-Y166 WeakPolarHBondContact O-CD2 3.37Å; E162-Y166 PolarHBondContact O-N 3.43Å; E162-Y166 VanDerWaalsContact O-N 3.13Å; E162-Y166 WeakPolarHBondContact OE1-CE2 3.23Å; E162-Y166 PolarHBondContact OE1-OH 3.45Å; E162-F237 HydrophobicContact CB-CD1 3.85Å; E162-F237 HydrophobicContact CB-CE1 3.49Å; E162-F237 VanDerWaalsContact CB-CE1 3.49Å; E162-F237 HydrophobicContact CB-CZ 4.46Å; E162-F237 HydrophobicContact CG-CD1 3.63Å; E162-F237 HydrophobicContact CG-CE1 3.81Å; E162-F237 WeakPolarHBondContact OE1-CA 3.32Å; E162-F237 PolarHBondContact OE1-N 2.9Å; E162-F237 VanDerWaalsContact OE1-N 3.12Å; E162-F237 PolarHBondContact OE2-N 3.29Å
163	K	95.9	Very high	97	Very high	145 Å²	145	32.4 Å²	32.4	63%	0.63	18%	0.178	S	C	*	.	H	α-helix	trans	-66.8	-33.7	179	-64.2	-177	-180	-179.8	0	112.9	R98 S161 A167	R98-K163 VanDerWaalsContact CD-O 3.32Å; R98-K163 WeakPolarHBondContact CD-O 3.06Å; S161-K163 VanDerWaalsContact C-N 3.27Å; S161-K163 PolarHBondContact O-N 3.19Å; K163-A167 PolarHBondContact O-N 3.19Å
164	N	97.7	Very high	97.1	Very high	14 Å²	14	36 Å²	36	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-73.3	-41.8	173.7	-74.3	-20.6	0	0	0	110.1	R98 N100 K159 S161 E162 Y166 A167 D168	R98-N164 WeakPolarHBondContact CD-OD1 3.42Å; R98-N164 PolarHBondContact NE-OD1 2.73Å; N100-N164 PolarHBondContact ND2-OD1 2.9Å; K159-N164 PolarHBondContact O-ND2 2.94Å; S161-N164 PolarHBondContact O-N 3.24Å; S161-N164 PolarHBondContact OG-N 3.06Å; S161-N164 PolarHBondContact OG-ND2 3.42Å; E162-N164 VanDerWaalsContact C-N 3.32Å; E162-N164 PolarHBondContact O-N 3.2Å; N164-Y166 VanDerWaalsContact C-N 3.27Å; N164-Y166 PolarHBondContact O-N 3.09Å; N164-A167 CarbonylContact O-C 3.1Å; N164-A167 WeakPolarHBondContact O-CA 3.49Å; N164-A167 PolarHBondContact O-N 3.12Å; N164-D168 WeakPolarHBondContact O-CB 3.48Å; N164-D168 PolarHBondContact O-N 2.84Å; N164-D168 VanDerWaalsContact O-OD2 3.08Å
165	L	97.1	Very high	97.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-52.5	-43.6	177.9	-166.6	63.8	0	0	0	112.5	F35 Y150 S161 E162 I169 V197 P198 F237	F35-L165 HydrophobicContact CE1-CD1 4.43Å; F35-L165 HydrophobicContact CE1-CD2 4.27Å; F35-L165 HydrophobicContact CZ-CD2 4.19Å; Y150-L165 HydrophobicContact CD1-CD1 3.22Å; Y150-L165 HydrophobicContact CD2-CD1 4.2Å; Y150-L165 HydrophobicContact CE1-CD1 3.37Å; Y150-L165 HydrophobicContact CE2-CD1 4.32Å; Y150-L165 HydrophobicContact CG-CD1 3.66Å; S161-L165 WeakPolarHBondContact O-CB 3.34Å; S161-L165 PolarHBondContact O-N 3.31Å; E162-L165 WeakPolarHBondContact O-CB 3.49Å; E162-L165 PolarHBondContact O-N 2.95Å; L165-I169 PolarHBondContact O-N 2.9Å; L165-V197 HydrophobicContact CD2-CB 4.13Å; L165-V197 HydrophobicContact CD2-CG1 4.01Å; L165-P198 HydrophobicContact CD1-CG 4.03Å; L165-P198 HydrophobicContact CD2-CG 4.29Å; L165-P198 HydrophobicContact CG-CB 4.03Å; L165-P198 HydrophobicContact CG-CG 3.84Å; L165-F237 HydrophobicContact CD2-CD1 4.44Å; L165-F237 HydrophobicContact CD2-CE1 4.07Å
166	Y	98.5	Very high	97.2	Very high	34 Å²	34	34.5 Å²	34.5	13%	0.133	18%	0.184	C	C	.	.	H	α-helix	trans	-69.1	-41.1	173.6	-58.2	-37.8	0	0	0	113.2	E162 N164 D168 I169 D170 V197 D201 K242	E162-Y166 HydrophobicContact CG-CD2 4.09Å; E162-Y166 HydrophobicContact CG-CE2 3.33Å; E162-Y166 WeakPolarHBondContact O-CD2 3.37Å; E162-Y166 PolarHBondContact O-N 3.43Å; E162-Y166 VanDerWaalsContact O-N 3.13Å; E162-Y166 WeakPolarHBondContact OE1-CE2 3.23Å; E162-Y166 PolarHBondContact OE1-OH 3.45Å; N164-Y166 VanDerWaalsContact C-N 3.27Å; N164-Y166 PolarHBondContact O-N 3.09Å; Y166-D168 VanDerWaalsContact C-N 3.28Å; Y166-D168 PolarHBondContact O-N 2.94Å; Y166-I169 WeakPolarHBondContact O-CG2 3.47Å; Y166-D170 WeakPolarHBondContact O-CB 3.24Å; Y166-D170 PolarHBondContact O-N 2.86Å; Y166-D170 VanDerWaalsContact O-N 3.09Å; Y166-V197 HydrophobicContact CE1-CG1 3.83Å; Y166-D201 HydrophobicContact CD1-CB 3.57Å; Y166-D201 HydrophobicContact CE1-CB 3.45Å; Y166-D201 VanDerWaalsContact CE1-CB 3.45Å; Y166-K242 PolarHBondContact OH-NZ 3.41Å
167	A	98.8	Very high	97.2	Very high	9 Å²	9	38.4 Å²	38.4	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-29.1	176.8	0	0	0	0	0	113	R98 K163 N164 A171	R98-A167 HydrophobicContact CB-CB 4.4Å; R98-A167 HydrophobicContact CG-CB 3.82Å; K163-A167 PolarHBondContact O-N 3.19Å; N164-A167 CarbonylContact O-C 3.1Å; N164-A167 WeakPolarHBondContact O-CA 3.49Å; N164-A167 PolarHBondContact O-N 3.12Å; A167-A171 WeakPolarHBondContact O-CB 3.21Å; A167-A171 PolarHBondContact O-N 2.85Å; A167-A171 VanDerWaalsContact O-N 3.12Å
168	D	98.8	Very high	97.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-69.9	-50	178.7	-63.1	-25.3	0	0	0	109.6	T96 L102 Y148 S151 N164 Y166 D170 A171 A172	T96-D168 WeakPolarHBondContact CG2-OD1 3.48Å; L102-D168 HydrophobicContact CD1-CB 3.72Å; L102-D168 HydrophobicContact CD2-CB 4.46Å; L102-D168 WeakPolarHBondContact CD2-O 3.27Å; Y148-D168 HydrophobicContact CD2-CB 4.13Å; Y148-D168 HydrophobicContact CE2-CB 3.81Å; S151-D168 WeakPolarHBondContact CB-OD2 3.39Å; S151-D168 PolarHBondContact N-OD2 3.44Å; S151-D168 PolarHBondContact OG-OD1 2.78Å; S151-D168 PolarHBondContact OG-OD2 2.79Å; N164-D168 WeakPolarHBondContact O-CB 3.48Å; N164-D168 PolarHBondContact O-N 2.84Å; N164-D168 VanDerWaalsContact O-OD2 3.08Å; Y166-D168 VanDerWaalsContact C-N 3.28Å; Y166-D168 PolarHBondContact O-N 2.94Å; D168-D170 VanDerWaalsContact C-N 3.33Å; D168-D170 PolarHBondContact O-N 2.96Å; D168-A171 PolarHBondContact O-N 3.5Å; D168-A172 PolarHBondContact O-N 2.86Å
169	I	98.9	Very high	97.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-34.6	177.1	-158.3	176.4	0	0	0	112.4	L118 Y148 L165 Y166 A171 A172 W173 P198 L202	L118-I169 HydrophobicContact CD2-CG1 4.25Å; Y148-I169 HydrophobicContact CE1-CG1 4.1Å; Y148-I169 HydrophobicContact CE2-CB 4.46Å; Y148-I169 VanDerWaalsContact OH-CB 3.24Å; Y148-I169 WeakPolarHBondContact OH-CB 3.31Å; Y148-I169 VanDerWaalsContact OH-CG1 3.29Å; Y148-I169 WeakPolarHBondContact OH-CG1 3.46Å; L165-I169 PolarHBondContact O-N 2.9Å; Y166-I169 WeakPolarHBondContact O-CG2 3.47Å; I169-A171 VanDerWaalsContact C-N 3.31Å; I169-A171 PolarHBondContact O-N 2.81Å; I169-A172 PolarHBondContact O-N 2.77Å; I169-W173 VanDerWaalsContact O-CB 3.28Å; I169-W173 WeakPolarHBondContact O-CB 3.29Å; I169-W173 PolarHBondContact O-N 2.87Å; I169-P198 HydrophobicContact CB-CB 3.8Å; I169-P198 HydrophobicContact CD1-CB 3.9Å; I169-P198 WeakPolarHBondContact CD1-O 3.31Å; I169-P198 HydrophobicContact CG1-CB 4.39Å; I169-P198 HydrophobicContact CG2-CB 3.68Å; I169-L202 HydrophobicContact CD1-CB 3.97Å; I169-L202 HydrophobicContact CD1-CD2 3.86Å; I169-L202 HydrophobicContact CG1-CD2 3.97Å; I169-L202 HydrophobicContact CG2-CB 4.25Å
170	D	98.8	Very high	97.2	Very high	48 Å²	48	39.5 Å²	39.5	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-60.6	-43.2	173.7	-80.5	-24.6	0	0	0	110.7	Y166 D168 W173 Q174 R205	Y166-D170 WeakPolarHBondContact O-CB 3.24Å; Y166-D170 PolarHBondContact O-N 2.86Å; Y166-D170 VanDerWaalsContact O-N 3.09Å; D168-D170 VanDerWaalsContact C-N 3.33Å; D168-D170 PolarHBondContact O-N 2.96Å; D170-W173 PolarHBondContact O-N 2.97Å; D170-Q174 VanDerWaalsContact O-CG 3.28Å; D170-Q174 WeakPolarHBondContact O-CG 3.36Å; D170-Q174 PolarHBondContact O-N 3.38Å; D170-R205 IonicContact OD1-CZ 3.25Å; D170-R205 VanDerWaalsContact OD1-CZ 3.28Å; D170-R205 IonicContact OD1-NH1 3.38Å; D170-R205 PolarHBondContact OD1-NH1 3.04Å; D170-R205 IonicContact OD1-NH2 3.27Å; D170-R205 PolarHBondContact OD1-NH2 2.55Å; D170-R205 IonicContact OD2-NH1 2.68Å; D170-R205 IonicContact OD2-NH2 3.39Å
171	A	98.8	Very high	97.3	Very high	9 Å²	9	40.8 Å²	40.8	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-38.4	177.4	0	0	0	0	0	112.4	T96 L102 A167 D168 I169 Q174 A175	T96-A171 HydrophobicContact CG2-CB 3.97Å; L102-A171 HydrophobicContact CD2-CB 4.09Å; A167-A171 WeakPolarHBondContact O-CB 3.21Å; A167-A171 PolarHBondContact O-N 2.85Å; A167-A171 VanDerWaalsContact O-N 3.12Å; D168-A171 PolarHBondContact O-N 3.5Å; I169-A171 VanDerWaalsContact C-N 3.31Å; I169-A171 PolarHBondContact O-N 2.81Å; A171-Q174 PolarHBondContact O-N 3.17Å; A171-A175 WeakPolarHBondContact O-CB 3.5Å; A171-A175 PolarHBondContact O-N 2.92Å
172	A	98.8	Very high	97.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-47.1	174.3	0	0	0	0	0	112.1	L118 F146 Y148 D168 I169 Q174 A175 L176	L118-A172 HydrophobicContact CD1-CB 3.89Å; F146-A172 HydrophobicContact CE1-CB 3.82Å; Y148-A172 HydrophobicContact CD1-CB 3.36Å; Y148-A172 HydrophobicContact CD2-CB 4.33Å; Y148-A172 HydrophobicContact CE1-CB 3.76Å; Y148-A172 HydrophobicContact CG-CB 3.71Å; D168-A172 PolarHBondContact O-N 2.86Å; I169-A172 PolarHBondContact O-N 2.77Å; A172-Q174 PolarHBondContact O-N 3.26Å; A172-A175 PolarHBondContact O-N 2.98Å; A172-L176 WeakPolarHBondContact O-CB 3.35Å; A172-L176 PolarHBondContact O-N 2.84Å
173	W	98.8	Very high	97.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-57	-46.7	174.3	173.8	-108	0	0	0	112	L118 I169 D170 L176 R177 P184 I187 L189 L202 Y206 C208	L118-W173 HydrophobicContact CD2-CB 4.19Å; L118-W173 HydrophobicContact CD2-CE3 4.06Å; I169-W173 VanDerWaalsContact O-CB 3.28Å; I169-W173 WeakPolarHBondContact O-CB 3.29Å; I169-W173 PolarHBondContact O-N 2.87Å; D170-W173 PolarHBondContact O-N 2.97Å; W173-L176 PolarHBondContact O-N 2.87Å; W173-R177 WeakPolarHBondContact O-CG 3.35Å; W173-R177 PolarHBondContact O-N 3.42Å; W173-R177 VanDerWaalsContact O-N 3.14Å; W173-P184 HydrophobicContact CH2-CB 3.81Å; W173-P184 HydrophobicContact CH2-CG 4.16Å; W173-P184 HydrophobicContact CZ2-CB 4.1Å; W173-P184 HydrophobicContact CZ2-CG 4.01Å; W173-I187 HydrophobicContact CE3-CD1 3.98Å; W173-I187 HydrophobicContact CE3-CG2 4.33Å; W173-I187 HydrophobicContact CH2-CD1 4.04Å; W173-I187 HydrophobicContact CZ3-CB 3.98Å; W173-I187 HydrophobicContact CZ3-CD1 3.56Å; W173-I187 HydrophobicContact CZ3-CG1 4.36Å; W173-I187 HydrophobicContact CZ3-CG2 3.76Å; W173-L189 HydrophobicContact CE3-CD2 4.15Å; W173-L189 HydrophobicContact CZ3-CD2 4.03Å; W173-L202 HydrophobicContact CB-CD1 4.2Å; W173-L202 HydrophobicContact CB-CD2 3.91Å; W173-L202 HydrophobicContact CD2-CD2 3.97Å; W173-L202 HydrophobicContact CE3-CD2 3.8Å; W173-L202 HydrophobicContact CG-CD1 4.13Å; W173-L202 HydrophobicContact CG-CD2 4.06Å; W173-Y206 HydrophobicContact CZ2-CG 4.35Å; W173-C208 HydrophobicContact CH2-CB 4.32Å
174	Q	98.6	Very high	97.8	Very high	77 Å²	77	34 Å²	34	36%	0.36	18%	0.184	S	C	.	.	H	α-helix	trans	-66.4	-41.3	177.1	-66.7	-57.6	-22.5	0	0	112	D170 A171 A172 L176 R177 T178	D170-Q174 VanDerWaalsContact O-CG 3.28Å; D170-Q174 WeakPolarHBondContact O-CG 3.36Å; D170-Q174 PolarHBondContact O-N 3.38Å; A171-Q174 PolarHBondContact O-N 3.17Å; A172-Q174 PolarHBondContact O-N 3.26Å; Q174-L176 VanDerWaalsContact C-N 3.35Å; Q174-L176 PolarHBondContact O-N 2.75Å; Q174-R177 PolarHBondContact O-N 3.16Å; Q174-T178 WeakPolarHBondContact O-CB 3.3Å; Q174-T178 WeakPolarHBondContact O-CG2 3.49Å; Q174-T178 PolarHBondContact O-N 3.17Å; Q174-T178 PolarHBondContact O-OG1 3.17Å
175	A	98.1	Very high	97.7	Very high	7 Å²	7	38.5 Å²	38.5	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-46.4	176.5	0	0	0	0	0	111	F92 F146 A171 A172 R177 T178 R179	F92-A175 HydrophobicContact CE2-CB 4.15Å; F92-A175 HydrophobicContact CZ-CB 4.11Å; F146-A175 HydrophobicContact CZ-CB 4.12Å; A171-A175 WeakPolarHBondContact O-CB 3.5Å; A171-A175 PolarHBondContact O-N 2.92Å; A172-A175 PolarHBondContact O-N 2.98Å; A175-R177 VanDerWaalsContact C-N 3.32Å; A175-R177 PolarHBondContact O-N 2.91Å; A175-T178 PolarHBondContact O-N 3.07Å; A175-R179 WeakPolarHBondContact O-CA 3.41Å; A175-R179 WeakPolarHBondContact O-CB 3.4Å; A175-R179 PolarHBondContact O-N 3.32Å
176	L	97.1	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-42.9	179.5	-170.9	55.4	0	0	0	112.2	T116 L118 F146 A172 W173 Q174 Y180 V182 I187	T116-L176 HydrophobicContact CG2-CD1 3.95Å; T116-L176 HydrophobicContact CG2-CD2 4.22Å; L118-L176 HydrophobicContact CB-CD2 4.1Å; F146-L176 HydrophobicContact CB-CD1 3.88Å; F146-L176 HydrophobicContact CB-CD2 4.19Å; F146-L176 HydrophobicContact CD2-CD1 3.9Å; F146-L176 HydrophobicContact CG-CB 4.5Å; F146-L176 HydrophobicContact CG-CD1 3.93Å; F146-L176 HydrophobicContact CG-CD2 4.43Å; A172-L176 WeakPolarHBondContact O-CB 3.35Å; A172-L176 PolarHBondContact O-N 2.84Å; W173-L176 PolarHBondContact O-N 2.87Å; Q174-L176 VanDerWaalsContact C-N 3.35Å; Q174-L176 PolarHBondContact O-N 2.75Å; L176-Y180 HydrophobicContact CD1-CD2 4.16Å; L176-Y180 WeakPolarHBondContact O-CB 3.28Å; L176-Y180 PolarHBondContact O-N 3.02Å; L176-V182 HydrophobicContact CD1-CB 4.3Å; L176-V182 HydrophobicContact CD1-CG2 3.8Å; L176-V182 HydrophobicContact CG-CB 4.14Å; L176-V182 HydrophobicContact CG-CG2 4.2Å; L176-V182 PolarHBondContact O-N 3.2Å; L176-I187 HydrophobicContact CD2-CD1 3.84Å; L176-I187 HydrophobicContact CD2-CG1 3.9Å; L176-I187 HydrophobicContact CD2-CG2 3.98Å; L176-I187 HydrophobicContact CG-CD1 4.11Å; L176-I187 HydrophobicContact CG-CG1 4.46Å
177	R	97.8	Very high	97.8	Very high	91 Å²	91	38.5 Å²	38.5	34%	0.343	21%	0.207	S	C	.	.	H	α-helix	trans	-75.3	-39.8	-179.4	-68.8	178.8	63	-142.2	1.9	114	W173 Q174 A175 G181 V182 I187	W173-R177 WeakPolarHBondContact O-CG 3.35Å; W173-R177 PolarHBondContact O-N 3.42Å; W173-R177 VanDerWaalsContact O-N 3.14Å; Q174-R177 PolarHBondContact O-N 3.16Å; A175-R177 VanDerWaalsContact C-N 3.32Å; A175-R177 PolarHBondContact O-N 2.91Å; R177-G181 WeakPolarHBondContact O-CA 3.48Å; R177-G181 PolarHBondContact O-N 3Å; R177-V182 WeakPolarHBondContact CG-O 3.38Å; R177-I187 HydrophobicContact CG-CD1 3.93Å
178	T	96.9	Very high	97.8	Very high	107 Å²	107	38 Å²	38	66%	0.656	20%	0.204	S	C	*	.	H	α-helix	trans	-93	-40.5	-171.7	60.3	0	0	0	0	113.1	Q174 A175	Q174-T178 WeakPolarHBondContact O-CB 3.3Å; Q174-T178 WeakPolarHBondContact O-CG2 3.49Å; Q174-T178 PolarHBondContact O-N 3.17Å; Q174-T178 PolarHBondContact O-OG1 3.17Å; A175-T178 PolarHBondContact O-N 3.07Å
179	R	95.9	Very high	97.8	Very high	123 Å²	123	38 Å²	38	46%	0.464	20%	0.204	S	C	.	.	H	α-helix	trans	-77.2	-41.2	179	-176.6	178.7	176	81.5	0.7	111.7	E90 A175	E90-R179 IonicContact OE1-CZ 3.69Å; E90-R179 IonicContact OE1-NE 2.88Å; E90-R179 PolarHBondContact OE1-NE 3.46Å; E90-R179 IonicContact OE1-NH2 3.55Å; E90-R179 PolarHBondContact OE1-NH2 3.5Å; A175-R179 WeakPolarHBondContact O-CA 3.41Å; A175-R179 WeakPolarHBondContact O-CB 3.4Å; A175-R179 PolarHBondContact O-N 3.32Å
180	Y	95.4	Very high	97.8	Very high	43 Å²	43	38 Å²	38	17%	0.169	20%	0.204	C	C	.	.	S	Bend	trans	-108.1	-3.1	-174.4	-56	-67.3	0	0	0	114	E90 F92 F106 R108 F146 L176 V182	E90-Y180 PolarHBondContact OE1-OH 3.13Å; E90-Y180 VanDerWaalsContact OE1-OH 3.06Å; E90-Y180 PolarHBondContact OE2-OH 2.84Å; F92-Y180 WeakPolarHBondContact CD1-OH 3.2Å; F92-Y180 AromaticContact CE1-CE2 3.9Å; F92-Y180 HydrophobicContact CE1-CE2 3.9Å; F92-Y180 AromaticContact CE1-CZ 3.92Å; F92-Y180 WeakPolarHBondContact CE1-OH 3.42Å; F92-Y180 AromaticContact CZ-CE2 3.97Å; F92-Y180 HydrophobicContact CZ-CE2 3.97Å; F106-Y180 HydrophobicContact CB-CE2 4.32Å; F106-Y180 AromaticContact CD1-CD1 3.59Å; F106-Y180 HydrophobicContact CD1-CD1 3.59Å; F106-Y180 AromaticContact CD1-CD2 3.76Å; F106-Y180 HydrophobicContact CD1-CD2 3.76Å; F106-Y180 AromaticContact CD1-CE1 3.45Å; F106-Y180 HydrophobicContact CD1-CE1 3.45Å; F106-Y180 VanDerWaalsContact CD1-CE1 3.45Å; F106-Y180 AromaticContact CD1-CE2 3.63Å; F106-Y180 HydrophobicContact CD1-CE2 3.63Å; F106-Y180 AromaticContact CD1-CG 3.73Å; F106-Y180 HydrophobicContact CD1-CG 3.73Å; F106-Y180 AromaticContact CD1-CZ 3.43Å; F106-Y180 VanDerWaalsContact CD1-CZ 3.43Å; F106-Y180 AromaticContact CE1-CD1 3.57Å; F106-Y180 HydrophobicContact CE1-CD1 3.57Å; F106-Y180 AromaticContact CE1-CD2 3.9Å; F106-Y180 HydrophobicContact CE1-CD2 3.9Å; F106-Y180 AromaticContact CE1-CE1 3.95Å; F106-Y180 HydrophobicContact CE1-CE1 3.95Å; F106-Y180 HydrophobicContact CE1-CE2 4.25Å; F106-Y180 AromaticContact CE1-CG 3.53Å; F106-Y180 HydrophobicContact CE1-CG 3.53Å; F106-Y180 HydrophobicContact CG-CE2 4.31Å; R108-Y180 VanDerWaalsContact NH2-CE1 3.32Å; F146-Y180 HydrophobicContact CD2-CD2 4.38Å; F146-Y180 HydrophobicContact CD2-CE2 4.04Å; F146-Y180 HydrophobicContact CE2-CD2 4.35Å; F146-Y180 AromaticContact CE2-CE2 3.76Å; F146-Y180 HydrophobicContact CE2-CE2 3.76Å; L176-Y180 HydrophobicContact CD1-CD2 4.16Å; L176-Y180 WeakPolarHBondContact O-CB 3.28Å; L176-Y180 PolarHBondContact O-N 3.02Å; Y180-V182 PolarHBondContact O-N 3.16Å
181	G	96.5	Very high	97.8	Very high	59 Å²	59	35.8 Å²	35.8	61%	0.608	19%	0.191	S	C	*	.			trans	66	17	176.1	0	0	0	0	0	114.1	R177 S183	R177-G181 WeakPolarHBondContact O-CA 3.48Å; R177-G181 PolarHBondContact O-N 3Å; G181-S183 PolarHBondContact O-N 2.95Å
182	V	97.1	Very high	97.8	Very high	21 Å²	21	36.5 Å²	36.5	13%	0.127	19%	0.194	C	C	.	.			trans	-74	120.8	-178.8	-169.4	0	0	0	0	108.6	L176 R177 Y180 N186 I187	L176-V182 HydrophobicContact CD1-CB 4.3Å; L176-V182 HydrophobicContact CD1-CG2 3.8Å; L176-V182 HydrophobicContact CG-CB 4.14Å; L176-V182 HydrophobicContact CG-CG2 4.2Å; L176-V182 PolarHBondContact O-N 3.2Å; R177-V182 WeakPolarHBondContact CG-O 3.38Å; Y180-V182 PolarHBondContact O-N 3.16Å; V182-N186 HydrophobicContact CG1-CB 4.11Å; V182-I187 HydrophobicContact CB-CD1 4.38Å; V182-I187 HydrophobicContact CB-CG1 4.23Å; V182-I187 HydrophobicContact CG1-CD1 4.23Å; V182-I187 HydrophobicContact CG1-CG1 3.57Å
183	S	97.2	Very high	97.7	Very high	33 Å²	33	37.2 Å²	37.2	23%	0.231	20%	0.198	C	C	.	.			trans	-77	148.8	178.9	60.4	0	0	0	0	111.6	G181 E185 N186 I187	G181-S183 PolarHBondContact O-N 2.95Å; S183-E185 WeakPolarHBondContact CB-OE1 3.34Å; S183-E185 VanDerWaalsContact CB-OE2 3.29Å; S183-E185 WeakPolarHBondContact CB-OE2 3.43Å; S183-E185 PolarHBondContact O-N 3.3Å; S183-E185 VanDerWaalsContact O-N 3.15Å; S183-E185 PolarHBondContact OG-OE1 3.03Å; S183-E185 PolarHBondContact OG-OE2 2.97Å; S183-N186 WeakPolarHBondContact O-CA 3.19Å; S183-N186 PolarHBondContact O-N 2.64Å; S183-N186 PolarHBondContact OG-ND2 2.99Å; S183-I187 PolarHBondContact O-N 2.95Å
184	P	97.8	Very high	97.6	Very high	34 Å²	34	37.6 Å²	37.6	22%	0.221	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-50.6	-38.6	-176.7	-30.9	38.1	0	0	0	115	W173 N186 I187 C208 A209	W173-P184 HydrophobicContact CH2-CB 3.81Å; W173-P184 HydrophobicContact CH2-CG 4.16Å; W173-P184 HydrophobicContact CZ2-CB 4.1Å; W173-P184 HydrophobicContact CZ2-CG 4.01Å; P184-N186 PolarHBondContact O-N 3.16Å; P184-N186 VanDerWaalsContact O-N 3.15Å; P184-I187 PolarHBondContact O-N 2.7Å; P184-C208 CarbonylContact O-C 3.59Å; P184-C208 WeakPolarHBondContact O-CA 3.4Å; P184-A209 PolarHBondContact O-N 2.86Å; P184-A209 VanDerWaalsContact O-N 3.1Å
185	E	97.2	Very high	97.6	Very high	109 Å²	109	34 Å²	34	51%	0.509	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-68.5	-6.1	177.9	69.5	-81.7	-174.8	0	0	114.4	S183 A209	S183-E185 WeakPolarHBondContact CB-OE1 3.34Å; S183-E185 VanDerWaalsContact CB-OE2 3.29Å; S183-E185 WeakPolarHBondContact CB-OE2 3.43Å; S183-E185 PolarHBondContact O-N 3.3Å; S183-E185 VanDerWaalsContact O-N 3.15Å; S183-E185 PolarHBondContact OG-OE1 3.03Å; S183-E185 PolarHBondContact OG-OE2 2.97Å; E185-A209 VanDerWaalsContact O-CB 3.27Å; E185-A209 WeakPolarHBondContact O-CB 3.45Å
186	N	97.6	Very high	97.6	Very high	35 Å²	35	33.6 Å²	33.6	19%	0.187	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-114.3	7.9	172.6	-64.6	-48.6	0	0	0	112.4	R114 Y115 T116 V182 S183 P184	R114-N186 WeakPolarHBondContact CG-OD1 3.28Å; R114-N186 PolarHBondContact NE-OD1 3.4Å; Y115-N186 WeakPolarHBondContact CA-O 3.49Å; T116-N186 PolarHBondContact N-O 2.89Å; V182-N186 HydrophobicContact CG1-CB 4.11Å; S183-N186 WeakPolarHBondContact O-CA 3.19Å; S183-N186 PolarHBondContact O-N 2.64Å; S183-N186 PolarHBondContact OG-ND2 2.99Å; P184-N186 PolarHBondContact O-N 3.16Å; P184-N186 VanDerWaalsContact O-N 3.15Å
187	I	98.7	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125	176.8	-59.3	169.9	0	0	0	109.5	T116 L118 W173 L176 R177 V182 S183 P184 L189 C208 A209	T116-I187 WeakPolarHBondContact O-CA 3.34Å; L118-I187 HydrophobicContact CB-CG2 3.96Å; W173-I187 HydrophobicContact CE3-CD1 3.98Å; W173-I187 HydrophobicContact CE3-CG2 4.33Å; W173-I187 HydrophobicContact CH2-CD1 4.04Å; W173-I187 HydrophobicContact CZ3-CB 3.98Å; W173-I187 HydrophobicContact CZ3-CD1 3.56Å; W173-I187 HydrophobicContact CZ3-CG1 4.36Å; W173-I187 HydrophobicContact CZ3-CG2 3.76Å; L176-I187 HydrophobicContact CD2-CD1 3.84Å; L176-I187 HydrophobicContact CD2-CG1 3.9Å; L176-I187 HydrophobicContact CD2-CG2 3.98Å; L176-I187 HydrophobicContact CG-CD1 4.11Å; L176-I187 HydrophobicContact CG-CG1 4.46Å; R177-I187 HydrophobicContact CG-CD1 3.93Å; V182-I187 HydrophobicContact CB-CD1 4.38Å; V182-I187 HydrophobicContact CB-CG1 4.23Å; V182-I187 HydrophobicContact CG1-CD1 4.23Å; V182-I187 HydrophobicContact CG1-CG1 3.57Å; S183-I187 PolarHBondContact O-N 2.95Å; P184-I187 PolarHBondContact O-N 2.7Å; I187-L189 HydrophobicContact CG2-CD2 3.96Å; I187-C208 WeakPolarHBondContact O-CB 3.27Å; I187-A209 WeakPolarHBondContact O-CB 3.37Å; I187-A209 PolarHBondContact O-N 2.87Å
188	I	98.8	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.7	168.2	-61.6	172.9	0	0	0	107.3	Y115 T116 L117 L118 A209 A210 I212 I304 L308	Y115-I188 HydrophobicContact CD1-CD1 4.23Å; Y115-I188 HydrophobicContact CD1-CG1 4.24Å; Y115-I188 HydrophobicContact CD2-CD1 4.26Å; Y115-I188 HydrophobicContact CG-CD1 3.84Å; Y115-I188 HydrophobicContact CG-CG1 4.29Å; T116-I188 PolarHBondContact O-N 3.34Å; L117-I188 CarbonylContact C-O 3.57Å; L117-I188 VanDerWaalsContact CA-O 3.3Å; L117-I188 WeakPolarHBondContact CA-O 3.44Å; L117-I188 HydrophobicContact CD2-CB 3.68Å; L117-I188 HydrophobicContact CD2-CD1 4.14Å; L117-I188 HydrophobicContact CD2-CG1 4.45Å; L117-I188 HydrophobicContact CD2-CG2 3.84Å; L118-I188 PolarHBondContact N-O 3.44Å; I188-A209 HydrophobicContact CG1-CB 4.03Å; I188-A210 WeakPolarHBondContact CA-O 3.44Å; I188-A210 HydrophobicContact CG1-CB 4.17Å; I188-A210 HydrophobicContact CG2-CB 4.17Å; I188-I212 HydrophobicContact CG2-CD1 3.72Å; I188-I212 HydrophobicContact CG2-CG1 4.05Å; I188-I304 HydrophobicContact CD1-CD1 4.31Å; I188-I304 HydrophobicContact CD1-CG1 3.94Å; I188-I304 HydrophobicContact CD1-CG2 4.32Å; I188-L308 HydrophobicContact CD1-CD1 3.68Å; I188-L308 HydrophobicContact CG1-CD1 4.15Å
189	L	98.9	Very high	97.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.6	174	-55.4	-180	0	0	0	108.5	L118 W173 I187 T199 L202 A203 C208 A210 V211 I212	L118-L189 HydrophobicContact CB-CD2 3.87Å; L118-L189 HydrophobicContact CD2-CD2 3.69Å; L118-L189 HydrophobicContact CG-CD2 4.07Å; W173-L189 HydrophobicContact CE3-CD2 4.15Å; W173-L189 HydrophobicContact CZ3-CD2 4.03Å; I187-L189 HydrophobicContact CG2-CD2 3.96Å; L189-T199 HydrophobicContact CB-CG2 3.92Å; L189-L202 HydrophobicContact CD1-CB 4.4Å; L189-L202 HydrophobicContact CD1-CD2 3.96Å; L189-L202 HydrophobicContact CD1-CG 4.31Å; L189-L202 HydrophobicContact CD2-CD2 3.79Å; L189-A203 HydrophobicContact CD1-CB 3.83Å; L189-C208 HydrophobicContact CD1-CB 4.49Å; L189-C208 HydrophobicContact CG-CB 4.31Å; L189-A210 PolarHBondContact N-O 2.78Å; L189-V211 HydrophobicContact CB-CG2 4.44Å; L189-V211 HydrophobicContact CD1-CG2 4.5Å; L189-V211 CarbonylContact O-C 3.58Å; L189-V211 VanDerWaalsContact O-CA 3.31Å; L189-V211 WeakPolarHBondContact O-CA 3.26Å; L189-I212 PolarHBondContact O-N 2.99Å
190	Y	98.9	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.1	178.6	-168.4	-60.6	0	0	0	108.9	L117 L118 F119 S120 Q192 I212 H214 Y296 L300	L117-Y190 HydrophobicContact CD1-CD2 4.24Å; L118-Y190 PolarHBondContact O-N 3.12Å; F119-Y190 CarbonylContact C-O 3.52Å; F119-Y190 VanDerWaalsContact CA-O 3.31Å; F119-Y190 WeakPolarHBondContact CA-O 3.47Å; F119-Y190 AromaticContact CD2-CD1 3.51Å; F119-Y190 HydrophobicContact CD2-CD1 3.51Å; F119-Y190 HydrophobicContact CD2-CD2 4.23Å; F119-Y190 HydrophobicContact CD2-CE1 4.21Å; F119-Y190 AromaticContact CD2-CG 3.58Å; F119-Y190 HydrophobicContact CD2-CG 3.58Å; F119-Y190 HydrophobicContact CE1-CD1 4.21Å; F119-Y190 HydrophobicContact CE1-CE1 4.48Å; F119-Y190 AromaticContact CE2-CD1 3.13Å; F119-Y190 HydrophobicContact CE2-CD1 3.13Å; F119-Y190 HydrophobicContact CE2-CD2 4.04Å; F119-Y190 AromaticContact CE2-CE1 3.35Å; F119-Y190 HydrophobicContact CE2-CE1 3.35Å; F119-Y190 HydrophobicContact CE2-CE2 4.19Å; F119-Y190 AromaticContact CE2-CG 3.56Å; F119-Y190 HydrophobicContact CE2-CG 3.56Å; F119-Y190 AromaticContact CE2-CZ 3.91Å; F119-Y190 HydrophobicContact CG-CD1 4.2Å; F119-Y190 HydrophobicContact CG-CG 4.43Å; F119-Y190 AromaticContact CZ-CD1 3.52Å; F119-Y190 HydrophobicContact CZ-CD1 3.52Å; F119-Y190 AromaticContact CZ-CE1 3.52Å; F119-Y190 HydrophobicContact CZ-CE1 3.52Å; F119-Y190 HydrophobicContact CZ-CG 4.39Å; S120-Y190 PolarHBondContact N-O 3.33Å; Y190-Q192 HydrophobicContact CE1-CB 4.33Å; Y190-I212 WeakPolarHBondContact CA-O 3.49Å; Y190-I212 HydrophobicContact CD2-CB 3.68Å; Y190-I212 HydrophobicContact CD2-CD1 3.66Å; Y190-I212 HydrophobicContact CD2-CG1 4.27Å; Y190-I212 HydrophobicContact CD2-CG2 3.69Å; Y190-I212 HydrophobicContact CE2-CB 4.01Å; Y190-I212 HydrophobicContact CE2-CD1 4.07Å; Y190-I212 HydrophobicContact CE2-CG2 3.45Å; Y190-I212 VanDerWaalsContact CE2-CG2 3.45Å; Y190-I212 HydrophobicContact CG-CB 4.14Å; Y190-I212 HydrophobicContact CG-CG2 4.33Å; Y190-H214 HydrophobicContact CE1-CB 3.76Å; Y190-H214 WeakPolarHBondContact OH-CB 3.31Å; Y190-H214 PolarHBondContact OH-ND1 3.3Å; Y190-Y296 WeakPolarHBondContact OH-CE2 3.13Å; Y190-Y296 PolarHBondContact OH-OH 2.88Å; Y190-L300 HydrophobicContact CE2-CD2 4.24Å
191	G	98.8	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.7	172.9	0	0	0	0	0	111.5	T196 T199 I212 H214	G191-T196 WeakPolarHBondContact O-CG2 3.2Å; G191-T199 WeakPolarHBondContact CA-OG1 2.96Å; G191-T199 PolarHBondContact N-OG1 3.48Å; G191-I212 PolarHBondContact N-O 3.34Å; G191-H214 WeakPolarHBondContact O-CB 3.35Å; G191-H214 PolarHBondContact O-N 3.3Å
192	Q	98.6	Very high	98.2	Very high	25 Å²	25	14.4 Å²	14.4	12%	0.117	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.9	171.5	-178.2	174.7	18.5	0	0	111.1	F119 S120 Y190 I194 G195 H214 E291	F119-Q192 HydrophobicContact CE1-CB 4.28Å; F119-Q192 HydrophobicContact CZ-CB 4.3Å; S120-Q192 PolarHBondContact O-N 3.44Å; Y190-Q192 HydrophobicContact CE1-CB 4.33Å; Q192-I194 PolarHBondContact O-N 3.44Å; Q192-G195 WeakPolarHBondContact O-CA 3.23Å; Q192-G195 PolarHBondContact O-N 3.42Å; Q192-H214 CarbonylContact C-O 3.51Å; Q192-H214 WeakPolarHBondContact CA-O 3.4Å; Q192-H214 HydrophobicContact CB-CB 4.44Å; Q192-E291 PolarHBondContact NE2-OE1 3.4Å
193	S	97.2	Very high	98.3	Very high	14 Å²	14	13.5 Å²	13.5	10%	0.098	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	51.6	-120.8	178.4	-174.7	0	0	0	0	110.6	G195 T196 H214 S215 L217 H287	S193-G195 PolarHBondContact O-N 2.73Å; S193-G195 VanDerWaalsContact O-N 3.12Å; S193-T196 WeakPolarHBondContact O-CB 3.39Å; S193-T196 WeakPolarHBondContact O-CG2 3.35Å; S193-T196 PolarHBondContact O-N 2.93Å; S193-T196 PolarHBondContact O-OG1 3.21Å; S193-H214 PolarHBondContact N-O 3.05Å; S193-S215 WeakPolarHBondContact CA-O 3.42Å; S193-L217 WeakPolarHBondContact O-CD2 3.41Å; S193-H287 VanDerWaalsContact CB-NE2 3.28Å; S193-H287 WeakPolarHBondContact CB-NE2 3.15Å; S193-H287 PolarHBondContact OG-CE1 3.4Å; S193-H287 PolarHBondContact OG-NE2 3.24Å
194	I	96.5	Very high	98.4	Very high	11 Å²	11	13.1 Å²	13.1	6%	0.056	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-55.5	-28	174.7	-162.1	165.9	0	0	0	113.8	F35 N123 Y150 Q192 T196 V197 P198	F35-I194 HydrophobicContact CD1-CD1 3.72Å; F35-I194 HydrophobicContact CE1-CD1 3.45Å; F35-I194 VanDerWaalsContact CE1-CD1 3.45Å; F35-I194 HydrophobicContact CE1-CG1 4.37Å; F35-I194 HydrophobicContact CZ-CD1 4.13Å; N123-I194 HydrophobicContact CB-CG2 4.03Å; Y150-I194 HydrophobicContact CE2-CG2 4.38Å; Q192-I194 PolarHBondContact O-N 3.44Å; I194-T196 PolarHBondContact O-N 3.31Å; I194-V197 VanDerWaalsContact O-CB 3.3Å; I194-V197 WeakPolarHBondContact O-CB 3.39Å; I194-V197 WeakPolarHBondContact O-CG2 3.4Å; I194-V197 PolarHBondContact O-N 3.13Å; I194-V197 VanDerWaalsContact O-N 3.08Å; I194-P198 WeakPolarHBondContact O-CD 3.18Å
195	G	98.4	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-64.9	-16.5	175.1	0	0	0	0	0	114.3	S120 Y150 Q192 S193 V197 P198 T199	S120-G195 VanDerWaalsContact CB-O 3.23Å; S120-G195 WeakPolarHBondContact CB-O 3.46Å; Y150-G195 WeakPolarHBondContact OH-CA 3.38Å; Q192-G195 WeakPolarHBondContact O-CA 3.23Å; Q192-G195 PolarHBondContact O-N 3.42Å; S193-G195 PolarHBondContact O-N 2.73Å; S193-G195 VanDerWaalsContact O-N 3.12Å; G195-V197 PolarHBondContact O-N 2.65Å; G195-P198 VanDerWaalsContact O-CD 3.28Å; G195-P198 WeakPolarHBondContact O-CD 3.33Å; G195-P198 WeakPolarHBondContact O-CG 3.44Å; G195-T199 WeakPolarHBondContact O-CB 3.39Å; G195-T199 PolarHBondContact O-N 3.19Å; G195-T199 PolarHBondContact O-OG1 3.27Å
196	T	98.8	Very high	98.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66.6	-24.9	171.3	62.9	0	0	0	0	112.6	G191 S193 I194 T199 V200 L213 P216 L217	G191-T196 WeakPolarHBondContact O-CG2 3.2Å; S193-T196 WeakPolarHBondContact O-CB 3.39Å; S193-T196 WeakPolarHBondContact O-CG2 3.35Å; S193-T196 PolarHBondContact O-N 2.93Å; S193-T196 PolarHBondContact O-OG1 3.21Å; I194-T196 PolarHBondContact O-N 3.31Å; T196-T199 WeakPolarHBondContact O-CB 3.44Å; T196-T199 PolarHBondContact O-N 2.93Å; T196-V200 WeakPolarHBondContact O-CB 3.48Å; T196-V200 VanDerWaalsContact O-CG2 3.27Å; T196-V200 WeakPolarHBondContact O-CG2 3.28Å; T196-V200 PolarHBondContact O-N 3.1Å; T196-L213 HydrophobicContact CG2-CB 4.31Å; T196-L213 HydrophobicContact CG2-CD2 4.18Å; T196-P216 HydrophobicContact CG2-CB 3.87Å; T196-P216 WeakPolarHBondContact OG1-CA 3.2Å; T196-L217 WeakPolarHBondContact OG1-CD2 3.28Å
197	V	98.5	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-58.3	179.9	176.5	0	0	0	0	112.6	L165 Y166 I194 G195 T199 D201 L217 F237	L165-V197 HydrophobicContact CD2-CB 4.13Å; L165-V197 HydrophobicContact CD2-CG1 4.01Å; Y166-V197 HydrophobicContact CE1-CG1 3.83Å; I194-V197 VanDerWaalsContact O-CB 3.3Å; I194-V197 WeakPolarHBondContact O-CB 3.39Å; I194-V197 WeakPolarHBondContact O-CG2 3.4Å; I194-V197 PolarHBondContact O-N 3.13Å; I194-V197 VanDerWaalsContact O-N 3.08Å; G195-V197 PolarHBondContact O-N 2.65Å; V197-T199 VanDerWaalsContact C-N 3.26Å; V197-T199 PolarHBondContact O-N 3.31Å; V197-D201 PolarHBondContact O-N 3.08Å; V197-D201 VanDerWaalsContact O-N 3.12Å; V197-L217 HydrophobicContact CG2-CD1 4.24Å; V197-L217 HydrophobicContact CG2-CD2 3.49Å; V197-L217 VanDerWaalsContact CG2-CD2 3.49Å; V197-L217 HydrophobicContact CG2-CG 4.02Å; V197-F237 HydrophobicContact CB-CB 4.33Å; V197-F237 HydrophobicContact CG1-CB 3.65Å; V197-F237 HydrophobicContact CG1-CD1 3.6Å; V197-F237 HydrophobicContact CG1-CG 3.93Å; V197-F237 HydrophobicContact CG2-CB 3.7Å; V197-F237 HydrophobicContact CG2-CD1 4.44Å; V197-F237 HydrophobicContact CG2-CG 4.08Å
198	P	98.8	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.4	-32.6	176.8	26.4	-34.4	0	0	0	111.6	Y150 L165 I169 I194 G195 D201 L202	Y150-P198 HydrophobicContact CE1-CG 4.49Å; L165-P198 HydrophobicContact CD1-CG 4.03Å; L165-P198 HydrophobicContact CD2-CG 4.29Å; L165-P198 HydrophobicContact CG-CB 4.03Å; L165-P198 HydrophobicContact CG-CG 3.84Å; I169-P198 HydrophobicContact CB-CB 3.8Å; I169-P198 HydrophobicContact CD1-CB 3.9Å; I169-P198 WeakPolarHBondContact CD1-O 3.31Å; I169-P198 HydrophobicContact CG1-CB 4.39Å; I169-P198 HydrophobicContact CG2-CB 3.68Å; I194-P198 WeakPolarHBondContact O-CD 3.18Å; G195-P198 VanDerWaalsContact O-CD 3.28Å; G195-P198 WeakPolarHBondContact O-CD 3.33Å; G195-P198 WeakPolarHBondContact O-CG 3.44Å; P198-D201 PolarHBondContact O-N 2.65Å; P198-L202 WeakPolarHBondContact O-CB 3.49Å; P198-L202 PolarHBondContact O-N 2.78Å
199	T	98.9	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.1	-52.4	176.9	-66.1	0	0	0	0	111.5	S120 L189 G191 G195 T196 V197 L202 A203 V211 L213	S120-T199 PolarHBondContact OG-OG1 3.46Å; L189-T199 HydrophobicContact CB-CG2 3.92Å; G191-T199 WeakPolarHBondContact CA-OG1 2.96Å; G191-T199 PolarHBondContact N-OG1 3.48Å; G195-T199 WeakPolarHBondContact O-CB 3.39Å; G195-T199 PolarHBondContact O-N 3.19Å; G195-T199 PolarHBondContact O-OG1 3.27Å; T196-T199 WeakPolarHBondContact O-CB 3.44Å; T196-T199 PolarHBondContact O-N 2.93Å; V197-T199 VanDerWaalsContact C-N 3.26Å; V197-T199 PolarHBondContact O-N 3.31Å; T199-L202 PolarHBondContact O-N 2.92Å; T199-A203 VanDerWaalsContact O-CB 3.25Å; T199-A203 WeakPolarHBondContact O-CB 3.46Å; T199-A203 PolarHBondContact O-N 2.9Å; T199-V211 HydrophobicContact CG2-CG1 3.67Å; T199-L213 HydrophobicContact CG2-CD2 3.78Å
200	V	98.9	Very high	98.3	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-66	-38.9	178.2	172.9	0	0	0	0	111	T196 A203 S204 L213 K242 I243 M269	T196-V200 WeakPolarHBondContact O-CB 3.48Å; T196-V200 VanDerWaalsContact O-CG2 3.27Å; T196-V200 WeakPolarHBondContact O-CG2 3.28Å; T196-V200 PolarHBondContact O-N 3.1Å; V200-A203 PolarHBondContact O-N 2.93Å; V200-S204 VanDerWaalsContact O-CB 3.29Å; V200-S204 WeakPolarHBondContact O-CB 3.46Å; V200-S204 PolarHBondContact O-N 2.89Å; V200-S204 PolarHBondContact O-OG 3.37Å; V200-L213 HydrophobicContact CG2-CD1 3.85Å; V200-L213 HydrophobicContact CG2-CD2 3.67Å; V200-L213 HydrophobicContact CG2-CG 4.44Å; V200-K242 HydrophobicContact CG1-CB 3.84Å; V200-I243 HydrophobicContact CG1-CB 4.35Å; V200-I243 HydrophobicContact CG1-CD1 4.29Å; V200-I243 HydrophobicContact CG2-CD1 4.2Å; V200-M269 HydrophobicContact CG1-CE 4.49Å; V200-M269 HydrophobicContact CG2-CE 3.92Å
201	D	98.8	Very high	98.3	Very high	19 Å²	19	21.1 Å²	21.1	10%	0.102	10%	0.099	C	C	.	.	H	α-helix	trans	-59.6	-48.3	175.9	-178.7	86.9	0	0	0	112.3	Y166 V197 P198 S204 R205 K242	Y166-D201 HydrophobicContact CD1-CB 3.57Å; Y166-D201 HydrophobicContact CE1-CB 3.45Å; Y166-D201 VanDerWaalsContact CE1-CB 3.45Å; V197-D201 PolarHBondContact O-N 3.08Å; V197-D201 VanDerWaalsContact O-N 3.12Å; P198-D201 PolarHBondContact O-N 2.65Å; D201-S204 PolarHBondContact O-N 2.8Å; D201-S204 PolarHBondContact O-OG 3.22Å; D201-R205 PolarHBondContact O-NE 2.96Å; D201-R205 IonicContact OD2-CZ 3.39Å; D201-R205 IonicContact OD2-NE 3.28Å; D201-R205 PolarHBondContact OD2-NE 3.18Å; D201-R205 IonicContact OD2-NH2 2.78Å; D201-R205 PolarHBondContact OD2-NH2 3.21Å; D201-K242 HydrophobicContact CB-CD 4.28Å; D201-K242 IonicContact OD1-NZ 3.68Å; D201-K242 PolarHBondContact OD1-NZ 3.23Å
202	L	98.8	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.3	-47	178.7	-173.1	73.9	0	0	0	111.2	L118 I169 W173 L189 P198 T199 S204 R205 Y206	L118-L202 HydrophobicContact CD2-CD2 4.05Å; I169-L202 HydrophobicContact CD1-CB 3.97Å; I169-L202 HydrophobicContact CD1-CD2 3.86Å; I169-L202 HydrophobicContact CG1-CD2 3.97Å; I169-L202 HydrophobicContact CG2-CB 4.25Å; W173-L202 HydrophobicContact CB-CD1 4.2Å; W173-L202 HydrophobicContact CB-CD2 3.91Å; W173-L202 HydrophobicContact CD2-CD2 3.97Å; W173-L202 HydrophobicContact CE3-CD2 3.8Å; W173-L202 HydrophobicContact CG-CD1 4.13Å; W173-L202 HydrophobicContact CG-CD2 4.06Å; L189-L202 HydrophobicContact CD1-CB 4.4Å; L189-L202 HydrophobicContact CD1-CD2 3.96Å; L189-L202 HydrophobicContact CD1-CG 4.31Å; L189-L202 HydrophobicContact CD2-CD2 3.79Å; P198-L202 WeakPolarHBondContact O-CB 3.49Å; P198-L202 PolarHBondContact O-N 2.78Å; T199-L202 PolarHBondContact O-N 2.92Å; L202-S204 PolarHBondContact O-N 2.8Å; L202-R205 PolarHBondContact O-N 3.12Å; L202-Y206 HydrophobicContact CD1-CD2 3.63Å; L202-Y206 HydrophobicContact CD1-CE2 3.84Å; L202-Y206 HydrophobicContact CG-CD2 4.2Å; L202-Y206 PolarHBondContact O-N 3.27Å
203	A	98.8	Very high	98.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-25.1	179.4	0	0	0	0	0	113.4	L189 T199 V200 R205 V211 V246	L189-A203 HydrophobicContact CD1-CB 3.83Å; T199-A203 VanDerWaalsContact O-CB 3.25Å; T199-A203 WeakPolarHBondContact O-CB 3.46Å; T199-A203 PolarHBondContact O-N 2.9Å; V200-A203 PolarHBondContact O-N 2.93Å; A203-R205 PolarHBondContact O-N 2.8Å; A203-V211 HydrophobicContact CB-CG2 3.66Å; A203-V246 HydrophobicContact CB-CG1 3.93Å; A203-V246 HydrophobicContact CB-CG2 3.86Å
204	S	98.6	Very high	98.4	Very high	25 Å²	25	19.2 Å²	19.2	18%	0.175	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.6	175	76.8	0	0	0	0	113.6	V200 D201 L202	V200-S204 VanDerWaalsContact O-CB 3.29Å; V200-S204 WeakPolarHBondContact O-CB 3.46Å; V200-S204 PolarHBondContact O-N 2.89Å; V200-S204 PolarHBondContact O-OG 3.37Å; D201-S204 PolarHBondContact O-N 2.8Å; D201-S204 PolarHBondContact O-OG 3.22Å; L202-S204 PolarHBondContact O-N 2.8Å
205	R	98.3	Very high	98.5	Very high	101 Å²	101	18.8 Å²	18.8	38%	0.381	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-26.5	-177.2	-64.8	-178.3	-73.2	128.2	-2.7	113.2	D170 D201 L202 A203	D170-R205 IonicContact OD1-CZ 3.25Å; D170-R205 VanDerWaalsContact OD1-CZ 3.28Å; D170-R205 IonicContact OD1-NH1 3.38Å; D170-R205 PolarHBondContact OD1-NH1 3.04Å; D170-R205 IonicContact OD1-NH2 3.27Å; D170-R205 PolarHBondContact OD1-NH2 2.55Å; D170-R205 IonicContact OD2-NH1 2.68Å; D170-R205 IonicContact OD2-NH2 3.39Å; D201-R205 PolarHBondContact O-NE 2.96Å; D201-R205 IonicContact OD2-CZ 3.39Å; D201-R205 IonicContact OD2-NE 3.28Å; D201-R205 PolarHBondContact OD2-NE 3.18Å; D201-R205 IonicContact OD2-NH2 2.78Å; D201-R205 PolarHBondContact OD2-NH2 3.21Å; L202-R205 PolarHBondContact O-N 3.12Å; A203-R205 PolarHBondContact O-N 2.8Å
206	Y	97.8	Very high	98.6	Very high	90 Å²	90	18.8 Å²	18.8	35%	0.353	9%	0.086	S	C	.	.	S	Bend	trans	-133.6	139.8	-176.8	-58.7	-77.2	0	0	0	111.3	W173 L202	W173-Y206 HydrophobicContact CZ2-CG 4.35Å; L202-Y206 HydrophobicContact CD1-CD2 3.63Å; L202-Y206 HydrophobicContact CD1-CE2 3.84Å; L202-Y206 HydrophobicContact CG-CD2 4.2Å; L202-Y206 PolarHBondContact O-N 3.27Å
207	E	97.3	Very high	98.4	Very high	137 Å²	137	19.3 Å²	19.3	64%	0.64	9%	0.089	S	C	*	.			trans	-76.5	144.1	166.9	-168.2	173.4	-178.1	0	0	110.2
208	C	98	Very high	98.4	Very high	7 Å²	7	20.1 Å²	20.1	5%	0.047	9%	0.093	C	C	.	.			trans	-144.7	173.5	-179.8	61.7	0	0	0	0	109.1	W173 P184 I187 L189 A210 S248	W173-C208 HydrophobicContact CH2-CB 4.32Å; P184-C208 CarbonylContact O-C 3.59Å; P184-C208 WeakPolarHBondContact O-CA 3.4Å; I187-C208 WeakPolarHBondContact O-CB 3.27Å; L189-C208 HydrophobicContact CD1-CB 4.49Å; L189-C208 HydrophobicContact CG-CB 4.31Å; C208-A210 VanDerWaalsContact C-N 3.28Å; C208-A210 PolarHBondContact O-N 2.99Å; C208-A210 PolarHBondContact SG-O 2.86Å; C208-S248 PolarHBondContact N-OG 3.13Å; C208-S248 PolarHBondContact O-OG 3.27Å; C208-S248 PolarHBondContact SG-OG 2.81Å
209	A	98.1	Very high	98.3	Very high	11 Å²	11	20.1 Å²	20.1	9%	0.091	9%	0.093	C	C	.	.	S	Bend	trans	-55.8	-46.1	179.2	0	0	0	0	0	111.8	Y115 P184 E185 I187 I188	Y115-A209 HydrophobicContact CD1-CB 3.93Å; Y115-A209 HydrophobicContact CE1-CB 3.8Å; P184-A209 PolarHBondContact O-N 2.86Å; P184-A209 VanDerWaalsContact O-N 3.1Å; E185-A209 VanDerWaalsContact O-CB 3.27Å; E185-A209 WeakPolarHBondContact O-CB 3.45Å; I187-A209 WeakPolarHBondContact O-CB 3.37Å; I187-A209 PolarHBondContact O-N 2.87Å; I188-A209 HydrophobicContact CG1-CB 4.03Å
210	A	98.7	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	170	179.6	0	0	0	0	0	111.9	I188 L189 C208 P249 F303 L308	I188-A210 WeakPolarHBondContact CA-O 3.44Å; I188-A210 HydrophobicContact CG1-CB 4.17Å; I188-A210 HydrophobicContact CG2-CB 4.17Å; L189-A210 PolarHBondContact N-O 2.78Å; C208-A210 VanDerWaalsContact C-N 3.28Å; C208-A210 PolarHBondContact O-N 2.99Å; C208-A210 PolarHBondContact SG-O 2.86Å; A210-P249 CarbonylContact C-O 3.32Å; A210-P249 WeakPolarHBondContact CA-O 3.2Å; A210-F303 HydrophobicContact CB-CE1 3.72Å; A210-F303 HydrophobicContact CB-CZ 3.65Å; A210-L308 HydrophobicContact CB-CD1 3.97Å; A210-L308 HydrophobicContact CB-CD2 3.61Å; A210-L308 HydrophobicContact CB-CG 4.45Å
211	V	98.9	Very high	97.5	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.4	169.9	-175	0	0	0	0	109.3	L189 T199 A203 L213 V246 P249 V250 L251	L189-V211 HydrophobicContact CB-CG2 4.44Å; L189-V211 HydrophobicContact CD1-CG2 4.5Å; L189-V211 CarbonylContact O-C 3.58Å; L189-V211 VanDerWaalsContact O-CA 3.31Å; L189-V211 WeakPolarHBondContact O-CA 3.26Å; T199-V211 HydrophobicContact CG2-CG1 3.67Å; A203-V211 HydrophobicContact CB-CG2 3.66Å; V211-L213 HydrophobicContact CG1-CD2 3.63Å; V211-L213 HydrophobicContact CG1-CG 4Å; V211-V246 HydrophobicContact CG2-CG1 4.02Å; V211-P249 PolarHBondContact N-O 3.36Å; V211-V250 HydrophobicContact CB-CB 4.48Å; V211-V250 HydrophobicContact CB-CG1 4.24Å; V211-V250 HydrophobicContact CB-CG2 4.07Å; V211-V250 HydrophobicContact CG1-CG1 4.37Å; V211-V250 HydrophobicContact CG2-CG2 4.44Å; V211-V250 CarbonylContact O-C 3.5Å; V211-V250 WeakPolarHBondContact O-CA 3.46Å; V211-L251 PolarHBondContact O-N 3.14Å
212	I	98.9	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.2	170.8	-59	164.2	0	0	0	107.7	I188 L189 Y190 G191 L251 I253 L300 F303	I188-I212 HydrophobicContact CG2-CD1 3.72Å; I188-I212 HydrophobicContact CG2-CG1 4.05Å; L189-I212 PolarHBondContact O-N 2.99Å; Y190-I212 WeakPolarHBondContact CA-O 3.49Å; Y190-I212 HydrophobicContact CD2-CB 3.68Å; Y190-I212 HydrophobicContact CD2-CD1 3.66Å; Y190-I212 HydrophobicContact CD2-CG1 4.27Å; Y190-I212 HydrophobicContact CD2-CG2 3.69Å; Y190-I212 HydrophobicContact CE2-CB 4.01Å; Y190-I212 HydrophobicContact CE2-CD1 4.07Å; Y190-I212 HydrophobicContact CE2-CG2 3.45Å; Y190-I212 VanDerWaalsContact CE2-CG2 3.45Å; Y190-I212 HydrophobicContact CG-CB 4.14Å; Y190-I212 HydrophobicContact CG-CG2 4.33Å; G191-I212 PolarHBondContact N-O 3.34Å; I212-L251 WeakPolarHBondContact CA-O 3.23Å; I212-L251 HydrophobicContact CG1-CB 4.37Å; I212-I253 HydrophobicContact CG2-CD1 3.92Å; I212-I253 HydrophobicContact CG2-CG1 4.47Å; I212-L300 HydrophobicContact CD1-CD2 3.75Å; I212-L300 HydrophobicContact CG2-CD2 4.23Å; I212-F303 HydrophobicContact CD1-CD1 4.2Å; I212-F303 HydrophobicContact CD1-CE1 4.31Å; I212-F303 HydrophobicContact CG1-CD1 4Å; I212-F303 HydrophobicContact CG1-CE1 3.73Å
213	L	98.9	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	106.5	177.4	-59.7	-174.5	0	0	0	108.8	T196 T199 V200 V211 P216 I243 V250 L251 V252 I253 M269	T196-L213 HydrophobicContact CG2-CB 4.31Å; T196-L213 HydrophobicContact CG2-CD2 4.18Å; T199-L213 HydrophobicContact CG2-CD2 3.78Å; V200-L213 HydrophobicContact CG2-CD1 3.85Å; V200-L213 HydrophobicContact CG2-CD2 3.67Å; V200-L213 HydrophobicContact CG2-CG 4.44Å; V211-L213 HydrophobicContact CG1-CD2 3.63Å; V211-L213 HydrophobicContact CG1-CG 4Å; L213-P216 HydrophobicContact CB-CB 4.06Å; L213-P216 HydrophobicContact CB-CG 4.05Å; L213-P216 HydrophobicContact CD1-CB 4.41Å; L213-I243 HydrophobicContact CD1-CD1 3.88Å; L213-V250 HydrophobicContact CD1-CG1 3.93Å; L213-V250 HydrophobicContact CG-CG1 4.01Å; L213-L251 PolarHBondContact N-O 2.87Å; L213-V252 WeakPolarHBondContact O-CA 3.33Å; L213-I253 PolarHBondContact O-N 3.09Å; L213-M269 HydrophobicContact CD1-CE 4.18Å
214	H	98.8	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.6	178.9	-175	-168.9	0	0	0	110.1	Y190 G191 Q192 S193 I290 E291	Y190-H214 HydrophobicContact CE1-CB 3.76Å; Y190-H214 WeakPolarHBondContact OH-CB 3.31Å; Y190-H214 PolarHBondContact OH-ND1 3.3Å; G191-H214 WeakPolarHBondContact O-CB 3.35Å; G191-H214 PolarHBondContact O-N 3.3Å; Q192-H214 CarbonylContact C-O 3.51Å; Q192-H214 WeakPolarHBondContact CA-O 3.4Å; Q192-H214 HydrophobicContact CB-CB 4.44Å; S193-H214 PolarHBondContact N-O 3.05Å; H214-I290 WeakPolarHBondContact NE2-CB 3.23Å; H214-I290 WeakPolarHBondContact NE2-CD1 3.19Å; H214-I290 VanDerWaalsContact NE2-CG2 3.28Å; H214-I290 WeakPolarHBondContact NE2-CG2 3.5Å; H214-E291 VanDerWaalsContact CE1-CD 3.44Å; H214-E291 IonicContact CE1-OE1 3.7Å; H214-E291 PolarHBondContact CE1-OE1 3.11Å; H214-E291 IonicContact CE1-OE2 2.81Å; H214-E291 IonicContact ND1-OE1 2.73Å
215	S	98.6	Very high	95.9	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.159	C	C	.	.	S	Bend	trans	47.7	57.5	-172.4	-61.1	0	0	0	0	113	S193 I253 D258 I290	S193-S215 WeakPolarHBondContact CA-O 3.42Å; S215-I253 PolarHBondContact N-O 3.07Å; S215-D258 PolarHBondContact OG-OD2 3.23Å; S215-I290 WeakPolarHBondContact OG-CD1 3.42Å
216	P	98.5	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.			trans	-68.5	151.5	-175.5	29.6	-35.6	0	0	0	112.7	T196 L213 V252 I261 H265 M269	T196-P216 HydrophobicContact CG2-CB 3.87Å; T196-P216 WeakPolarHBondContact OG1-CA 3.2Å; L213-P216 HydrophobicContact CB-CB 4.06Å; L213-P216 HydrophobicContact CB-CG 4.05Å; L213-P216 HydrophobicContact CD1-CB 4.41Å; P216-V252 HydrophobicContact CG-CG1 3.89Å; P216-I261 WeakPolarHBondContact O-CG2 3.46Å; P216-H265 WeakPolarHBondContact O-CB 3.38Å; P216-M269 HydrophobicContact CB-CG 4.21Å; P216-M269 HydrophobicContact CG-CB 4.16Å; P216-M269 HydrophobicContact CG-CG 4.2Å
217	L	96.2	Very high	95	Very high	11 Å²	11	32 Å²	32	6%	0.058	18%	0.183	C	C	.	.			trans	-103.5	140.2	168.9	66.4	168.9	0	0	0	112.5	S193 T196 V197 V223 S239 I261 H265	S193-L217 WeakPolarHBondContact O-CD2 3.41Å; T196-L217 WeakPolarHBondContact OG1-CD2 3.28Å; V197-L217 HydrophobicContact CG2-CD1 4.24Å; V197-L217 HydrophobicContact CG2-CD2 3.49Å; V197-L217 VanDerWaalsContact CG2-CD2 3.49Å; V197-L217 HydrophobicContact CG2-CG 4.02Å; L217-V223 HydrophobicContact CB-CG2 3.79Å; L217-V223 HydrophobicContact CD1-CG2 3.97Å; L217-S239 WeakPolarHBondContact O-CB 3.2Å; L217-I261 HydrophobicContact CB-CD1 4.3Å; L217-I261 HydrophobicContact CB-CG2 4.14Å; L217-H265 WeakPolarHBondContact CA-ND1 3.3Å
218	M	97.4	Very high	94.6	Very high	17 Å²	17	26.7 Å²	26.7	8%	0.084	16%	0.16	C	C	.	.	S	Bend	trans	-66.8	-50.4	172.9	-64.1	-169.6	-94.3	0	0	112.2	R222 S239 I240 H265 A268 M269	M218-R222 HydrophobicContact CB-CB 4.29Å; M218-R222 HydrophobicContact CE-CB 4.34Å; M218-S239 PolarHBondContact O-N 2.73Å; M218-I240 HydrophobicContact CB-CB 3.91Å; M218-I240 HydrophobicContact CB-CD1 4.36Å; M218-I240 HydrophobicContact CB-CG1 4.3Å; M218-I240 HydrophobicContact CB-CG2 4.35Å; M218-I240 HydrophobicContact CG-CB 4.43Å; M218-I240 HydrophobicContact CG-CD1 3.94Å; M218-I240 HydrophobicContact CG-CG1 4.33Å; M218-I240 WeakPolarHBondContact O-CB 3.26Å; M218-I240 PolarHBondContact O-N 2.71Å; M218-I240 HydrophobicContact SD-CD1 4.21Å; M218-I240 HydrophobicContact SD-CG1 4.44Å; M218-H265 HydrophobicContact CE-CB 4.33Å; M218-H265 WeakPolarHBondContact CE-CD2 3.35Å; M218-H265 HydrophobicContact CG-CB 4.11Å; M218-H265 PolarHBondContact N-ND1 3.15Å; M218-H265 VanDerWaalsContact N-ND1 3.14Å; M218-A268 HydrophobicContact CE-CB 4.4Å; M218-A268 HydrophobicContact CG-CB 4.18Å; M218-A268 HydrophobicContact SD-CB 3.46Å; M218-A268 WeakPolarHBondContact SD-CB 3.44Å; M218-M269 HydrophobicContact CG-CG 4.4Å
219	S	96.4	Very high	94.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.			trans	-167.6	164.5	174.9	70.1	0	0	0	0	111.1	R222 V223 D235 F237	S219-R222 PolarHBondContact O-N 3.25Å; S219-R222 PolarHBondContact OG-N 2.76Å; S219-R222 PolarHBondContact OG-NH1 3.18Å; S219-V223 WeakPolarHBondContact O-CG2 3.3Å; S219-V223 PolarHBondContact O-N 2.74Å; S219-V223 VanDerWaalsContact O-N 3.15Å; S219-D235 VanDerWaalsContact CB-OD1 3.32Å; S219-D235 WeakPolarHBondContact CB-OD1 3.43Å; S219-D235 WeakPolarHBondContact CB-OD2 3.34Å; S219-D235 VanDerWaalsContact OG-CG 3.28Å; S219-D235 PolarHBondContact OG-OD1 3.18Å; S219-D235 PolarHBondContact OG-OD2 3.21Å; S219-F237 WeakPolarHBondContact CA-O 3.42Å
220	G	90.9	Very high	93.9	Very high	20 Å²	20	43.5 Å²	43.5	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-40.4	179.7	0	0	0	0	0	113.1	R222 V223 A224 D235 A236	G220-R222 VanDerWaalsContact C-N 3.31Å; G220-R222 PolarHBondContact O-N 3.34Å; G220-V223 PolarHBondContact O-N 3.48Å; G220-A224 PolarHBondContact O-N 3.08Å; G220-A224 VanDerWaalsContact O-N 3.13Å; G220-D235 PolarHBondContact N-OD1 3Å; G220-A236 PolarHBondContact N-O 2.53Å
221	L	90.8	Very high	93.6	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.105	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-33.9	175.7	-71.6	176.6	0	0	0	112.4	V223 A224 F225 T228 Y232 F234 D235	L221-V223 VanDerWaalsContact C-N 3.35Å; L221-A224 PolarHBondContact O-N 3.28Å; L221-F225 HydrophobicContact CD2-CD2 4.19Å; L221-F225 HydrophobicContact CD2-CE2 4.3Å; L221-F225 CarbonylContact O-C 3.57Å; L221-F225 WeakPolarHBondContact O-CA 3.19Å; L221-F225 WeakPolarHBondContact O-CB 3.39Å; L221-F225 PolarHBondContact O-N 2.65Å; L221-T228 HydrophobicContact CB-CG2 4.24Å; L221-Y232 HydrophobicContact CD1-CD2 3.89Å; L221-F234 HydrophobicContact CD1-CD2 3.87Å; L221-F234 HydrophobicContact CD1-CE2 3.54Å; L221-F234 HydrophobicContact CD1-CZ 4.47Å; L221-F234 HydrophobicContact CD2-CE2 4.26Å; L221-D235 VanDerWaalsContact CB-OD1 3.27Å; L221-D235 WeakPolarHBondContact CB-OD1 3.21Å; L221-D235 HydrophobicContact CD1-CB 3.62Å; L221-D235 HydrophobicContact CG-CB 4.08Å; L221-D235 VanDerWaalsContact CG-OD1 3.3Å; L221-D235 WeakPolarHBondContact CG-OD1 3.45Å; L221-D235 PolarHBondContact N-OD1 3.15Å
222	R	94.4	Very high	93	Very high	9 Å²	9	50 Å²	50	3%	0.034	25%	0.254	C	S	.	.	H	α-helix	trans	-70.7	-32.2	177.9	-74.9	175	179.7	93.2	-8.2	112.5	M218 S219 G220 F225 P226 T228 R229 K230 T231 D235 H265	M218-R222 HydrophobicContact CB-CB 4.29Å; M218-R222 HydrophobicContact CE-CB 4.34Å; S219-R222 PolarHBondContact O-N 3.25Å; S219-R222 PolarHBondContact OG-N 2.76Å; S219-R222 PolarHBondContact OG-NH1 3.18Å; G220-R222 VanDerWaalsContact C-N 3.31Å; G220-R222 PolarHBondContact O-N 3.34Å; R222-F225 CarbonylContact O-C 3.59Å; R222-P226 WeakPolarHBondContact O-CA 3.35Å; R222-T228 HydrophobicContact CG-CG2 4.1Å; R222-T228 WeakPolarHBondContact CG-O 3.47Å; R222-T228 PolarHBondContact NE-O 3.48Å; R222-R229 PolarHBondContact NH2-O 3.29Å; R222-R229 VanDerWaalsContact NH2-O 3.15Å; R222-K230 VanDerWaalsContact NH2-C 3.27Å; R222-T231 PolarHBondContact NH1-OG1 3.03Å; R222-T231 PolarHBondContact NH2-OG1 3.33Å; R222-D235 IonicContact NH1-OD2 3.17Å; R222-D235 PolarHBondContact NH1-OD2 3.26Å; R222-H265 PolarHBondContact O-NE2 3.26Å
223	V	90.7	Very high	92.3	Very high	52 Å²	52	56.2 Å²	56.2	32%	0.315	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-48.5	170.9	176	0	0	0	0	110.4	L217 S219 G220 L221 I261 H265	L217-V223 HydrophobicContact CB-CG2 3.79Å; L217-V223 HydrophobicContact CD1-CG2 3.97Å; S219-V223 WeakPolarHBondContact O-CG2 3.3Å; S219-V223 PolarHBondContact O-N 2.74Å; S219-V223 VanDerWaalsContact O-N 3.15Å; G220-V223 PolarHBondContact O-N 3.48Å; L221-V223 VanDerWaalsContact C-N 3.35Å; V223-I261 HydrophobicContact CB-CD1 4.38Å; V223-I261 HydrophobicContact CG1-CD1 3.8Å; V223-I261 HydrophobicContact CG2-CD1 3.56Å; V223-H265 VanDerWaalsContact CG2-CE1 3.47Å; V223-H265 WeakPolarHBondContact CG2-CE1 3.49Å; V223-H265 PolarHBondContact N-CE1 3.43Å
224	A	87.5	Confident	91.6	Very high	65 Å²	65	58.9 Å²	58.9	54%	0.537	31%	0.308	S	S	.	.	H	α-helix	trans	-73.8	-29.6	-177.7	0	0	0	0	0	113.6	G220 L221	G220-A224 PolarHBondContact O-N 3.08Å; G220-A224 VanDerWaalsContact O-N 3.13Å; L221-A224 PolarHBondContact O-N 3.28Å
225	F	89	Confident	91.1	Very high	109 Å²	109	59.3 Å²	59.3	48%	0.478	31%	0.311	S	S	.	.			trans	-140.6	86.2	-174.6	-53.5	-74.6	0	0	0	109.6	L221 R222 D227 T228	L221-F225 HydrophobicContact CD2-CD2 4.19Å; L221-F225 HydrophobicContact CD2-CE2 4.3Å; L221-F225 CarbonylContact O-C 3.57Å; L221-F225 WeakPolarHBondContact O-CA 3.19Å; L221-F225 WeakPolarHBondContact O-CB 3.39Å; L221-F225 PolarHBondContact O-N 2.65Å; R222-F225 CarbonylContact O-C 3.59Å; F225-D227 PolarHBondContact O-N 2.8Å; F225-D227 VanDerWaalsContact O-N 3.08Å; F225-T228 WeakPolarHBondContact CB-OG1 3.46Å; F225-T228 WeakPolarHBondContact O-CB 3.46Å; F225-T228 PolarHBondContact O-N 2.78Å; F225-T228 PolarHBondContact O-OG1 3.35Å
226	P	87.9	Confident	90.7	Very high	90 Å²	90	60.5 Å²	60.5	58%	0.584	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.9	-173.1	-30.2	37	0	0	0	115	R222 T228	R222-P226 WeakPolarHBondContact O-CA 3.35Å; P226-T228 PolarHBondContact O-N 3.31Å; P226-T228 VanDerWaalsContact O-N 3.1Å
227	D	89.1	Confident	90.4	Very high	123 Å²	123	61 Å²	61	66%	0.658	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.3	177.5	-68.4	-46.6	0	0	0	114.5	F225 R229	F225-D227 PolarHBondContact O-N 2.8Å; F225-D227 VanDerWaalsContact O-N 3.08Å; D227-R229 WeakPolarHBondContact O-CG 3.36Å; D227-R229 PolarHBondContact O-N 3.34Å
228	T	89.5	Confident	90.4	Very high	24 Å²	24	61.6 Å²	61.6	15%	0.147	33%	0.327	C	S	.	.			trans	-68.9	102.8	-178.2	-62.4	0	0	0	0	111.9	L221 R222 F225 P226 K230 Y232	L221-T228 HydrophobicContact CB-CG2 4.24Å; R222-T228 HydrophobicContact CG-CG2 4.1Å; R222-T228 WeakPolarHBondContact CG-O 3.47Å; R222-T228 PolarHBondContact NE-O 3.48Å; F225-T228 WeakPolarHBondContact CB-OG1 3.46Å; F225-T228 WeakPolarHBondContact O-CB 3.46Å; F225-T228 PolarHBondContact O-N 2.78Å; F225-T228 PolarHBondContact O-OG1 3.35Å; P226-T228 PolarHBondContact O-N 3.31Å; P226-T228 VanDerWaalsContact O-N 3.1Å; T228-K230 VanDerWaalsContact CG2-O 3.29Å; T228-K230 WeakPolarHBondContact CG2-O 3.49Å; T228-Y232 HydrophobicContact CG2-CD2 4.45Å; T228-Y232 HydrophobicContact CG2-CE2 4.13Å
229	R	89.9	Confident	90.4	Very high	221 Å²	221	60.8 Å²	60.8	83%	0.834	32%	0.323	S	S	*	.			trans	-86.1	-25.5	-178.2	-57	-169.3	-177.9	-158.9	-2.1	114.7	R222 D227	R222-R229 PolarHBondContact NH2-O 3.29Å; R222-R229 VanDerWaalsContact NH2-O 3.15Å; D227-R229 WeakPolarHBondContact O-CG 3.36Å; D227-R229 PolarHBondContact O-N 3.34Å
230	K	90.6	Very high	90.4	Very high	150 Å²	150	61 Å²	61	65%	0.652	32%	0.324	S	S	*	.	S	Bend	trans	-113.6	147.8	-175.2	-63.1	-177.7	-178.4	178.8	0	110.9	R222 T228 Y232	R222-K230 VanDerWaalsContact NH2-C 3.27Å; T228-K230 VanDerWaalsContact CG2-O 3.29Å; T228-K230 WeakPolarHBondContact CG2-O 3.49Å; K230-Y232 HydrophobicContact CB-CE2 4.43Å; K230-Y232 WeakPolarHBondContact O-CD2 3.48Å
231	T	91.8	Very high	90.7	Very high	46 Å²	46	63.5 Å²	63.5	28%	0.282	33%	0.333	S	S	.	.			trans	-84	128.6	169.2	-50.1	0	0	0	0	109.2	R222 D235 P238 D241	R222-T231 PolarHBondContact NH1-OG1 3.03Å; R222-T231 PolarHBondContact NH2-OG1 3.33Å; T231-D235 HydrophobicContact CG2-CB 3.97Å; T231-P238 HydrophobicContact CG2-CB 3.68Å; T231-D241 VanDerWaalsContact CB-OD2 3.26Å; T231-D241 WeakPolarHBondContact CB-OD2 3.42Å; T231-D241 WeakPolarHBondContact CG2-OD2 3.35Å; T231-D241 PolarHBondContact OG1-OD1 3.12Å; T231-D241 PolarHBondContact OG1-OD2 3.24Å
232	Y	86.7	Confident	91.1	Very high	91 Å²	91	64 Å²	64	36%	0.357	33%	0.334	S	S	.	.			trans	-103.6	159.4	178.1	-63	-81.6	0	0	0	110.7	L221 T228 K230 F234 D235	L221-Y232 HydrophobicContact CD1-CD2 3.89Å; T228-Y232 HydrophobicContact CG2-CD2 4.45Å; T228-Y232 HydrophobicContact CG2-CE2 4.13Å; K230-Y232 HydrophobicContact CB-CE2 4.43Å; K230-Y232 WeakPolarHBondContact O-CD2 3.48Å; Y232-F234 HydrophobicContact CD1-CE1 4.42Å; Y232-F234 HydrophobicContact CD1-CZ 4.34Å; Y232-F234 HydrophobicContact CD2-CZ 4.35Å; Y232-F234 HydrophobicContact CG-CE1 4.19Å; Y232-F234 HydrophobicContact CG-CE2 4.46Å; Y232-F234 AromaticContact CG-CZ 3.89Å; Y232-F234 HydrophobicContact CG-CZ 3.89Å; Y232-F234 PolarHBondContact O-N 3.46Å; Y232-F234 VanDerWaalsContact O-N 3.12Å; Y232-D235 WeakPolarHBondContact O-CB 3.46Å; Y232-D235 PolarHBondContact O-N 3.33Å
233	C	85.4	Confident	91.3	Very high	131 Å²	131	63.7 Å²	63.7	89%	0.885	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.3	-178.5	61.1	0	0	0	0	114.4
234	F	84.5	Confident	91.6	Very high	56 Å²	56	64.7 Å²	64.7	25%	0.246	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	5.7	175.2	56.8	-97.6	0	0	0	112.7	F20 L221 Y232 A236	F20-F234 HydrophobicContact CB-CB 4.49Å; F20-F234 HydrophobicContact CB-CD2 4.27Å; F20-F234 HydrophobicContact CB-CG 4.2Å; F20-F234 HydrophobicContact CD1-CD2 4.31Å; F20-F234 HydrophobicContact CG-CD2 4.3Å; L221-F234 HydrophobicContact CD1-CD2 3.87Å; L221-F234 HydrophobicContact CD1-CE2 3.54Å; L221-F234 HydrophobicContact CD1-CZ 4.47Å; L221-F234 HydrophobicContact CD2-CE2 4.26Å; Y232-F234 HydrophobicContact CD1-CE1 4.42Å; Y232-F234 HydrophobicContact CD1-CZ 4.34Å; Y232-F234 HydrophobicContact CD2-CZ 4.35Å; Y232-F234 HydrophobicContact CG-CE1 4.19Å; Y232-F234 HydrophobicContact CG-CE2 4.46Å; Y232-F234 AromaticContact CG-CZ 3.89Å; Y232-F234 HydrophobicContact CG-CZ 3.89Å; Y232-F234 PolarHBondContact O-N 3.46Å; Y232-F234 VanDerWaalsContact O-N 3.12Å; F234-A236 PolarHBondContact O-N 3.01Å
235	D	87.8	Confident	92.1	Very high	10 Å²	10	67.7 Å²	67.7	5%	0.053	34%	0.343	C	S	.	.			trans	-70.2	123.3	174.5	-161.7	-4.1	0	0	0	109.5	S219 G220 L221 R222 T231 Y232	S219-D235 VanDerWaalsContact CB-OD1 3.32Å; S219-D235 WeakPolarHBondContact CB-OD1 3.43Å; S219-D235 WeakPolarHBondContact CB-OD2 3.34Å; S219-D235 VanDerWaalsContact OG-CG 3.28Å; S219-D235 PolarHBondContact OG-OD1 3.18Å; S219-D235 PolarHBondContact OG-OD2 3.21Å; G220-D235 PolarHBondContact N-OD1 3Å; L221-D235 VanDerWaalsContact CB-OD1 3.27Å; L221-D235 WeakPolarHBondContact CB-OD1 3.21Å; L221-D235 HydrophobicContact CD1-CB 3.62Å; L221-D235 HydrophobicContact CG-CB 4.08Å; L221-D235 VanDerWaalsContact CG-OD1 3.3Å; L221-D235 WeakPolarHBondContact CG-OD1 3.45Å; L221-D235 PolarHBondContact N-OD1 3.15Å; R222-D235 IonicContact NH1-OD2 3.17Å; R222-D235 PolarHBondContact NH1-OD2 3.26Å; T231-D235 HydrophobicContact CG2-CB 3.97Å; Y232-D235 WeakPolarHBondContact O-CB 3.46Å; Y232-D235 PolarHBondContact O-N 3.33Å
236	A	90.1	Very high	92.6	Very high	25 Å²	25	62.5 Å²	62.5	21%	0.207	32%	0.321	C	S	.	.	S	Bend	trans	-79.6	144.2	177.4	0	0	0	0	0	109.5	G220 F234	G220-A236 PolarHBondContact N-O 2.53Å; F234-A236 PolarHBondContact O-N 3.01Å
237	F	92.4	Very high	93.1	Very high	11 Å²	11	61.9 Å²	61.9	5%	0.048	32%	0.315	C	S	.	.			trans	56.6	50	170.3	-41.7	-55.7	0	0	0	115	A34 F35 E162 L165 V197 S219 S239	A34-F237 HydrophobicContact CB-CE2 4.05Å; A34-F237 HydrophobicContact CB-CZ 4.48Å; F35-F237 HydrophobicContact CE1-CZ 4.47Å; F35-F237 HydrophobicContact CE2-CE1 4.33Å; F35-F237 AromaticContact CE2-CZ 3.71Å; F35-F237 HydrophobicContact CE2-CZ 3.71Å; F35-F237 AromaticContact CZ-CE1 3.87Å; F35-F237 HydrophobicContact CZ-CE1 3.87Å; F35-F237 AromaticContact CZ-CZ 3.53Å; F35-F237 HydrophobicContact CZ-CZ 3.53Å; E162-F237 HydrophobicContact CB-CD1 3.85Å; E162-F237 HydrophobicContact CB-CE1 3.49Å; E162-F237 VanDerWaalsContact CB-CE1 3.49Å; E162-F237 HydrophobicContact CB-CZ 4.46Å; E162-F237 HydrophobicContact CG-CD1 3.63Å; E162-F237 HydrophobicContact CG-CE1 3.81Å; E162-F237 WeakPolarHBondContact OE1-CA 3.32Å; E162-F237 PolarHBondContact OE1-N 2.9Å; E162-F237 VanDerWaalsContact OE1-N 3.12Å; E162-F237 PolarHBondContact OE2-N 3.29Å; L165-F237 HydrophobicContact CD2-CD1 4.44Å; L165-F237 HydrophobicContact CD2-CE1 4.07Å; V197-F237 HydrophobicContact CB-CB 4.33Å; V197-F237 HydrophobicContact CG1-CB 3.65Å; V197-F237 HydrophobicContact CG1-CD1 3.6Å; V197-F237 HydrophobicContact CG1-CG 3.93Å; V197-F237 HydrophobicContact CG2-CB 3.7Å; V197-F237 HydrophobicContact CG2-CD1 4.44Å; V197-F237 HydrophobicContact CG2-CG 4.08Å; S219-F237 WeakPolarHBondContact CA-O 3.42Å; F237-S239 PolarHBondContact O-N 2.94Å; F237-S239 PolarHBondContact O-OG 3.03Å
238	P	94.9	Very high	93.5	Very high	24 Å²	24	56 Å²	56	16%	0.156	28%	0.284	C	S	.	.			trans	-73	65.2	-176.6	33.2	-37.6	0	0	0	112.7	T231 I240 D241	T231-P238 HydrophobicContact CG2-CB 3.68Å; P238-I240 PolarHBondContact O-N 2.88Å; P238-D241 PolarHBondContact O-N 3.46Å; P238-D241 VanDerWaalsContact O-N 3.15Å
239	S	97.7	Very high	93.9	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-58.4	-34	178.7	-58.7	0	0	0	0	111.9	L217 M218 F237 D241 K242 I243	L217-S239 WeakPolarHBondContact O-CB 3.2Å; M218-S239 PolarHBondContact O-N 2.73Å; F237-S239 PolarHBondContact O-N 2.94Å; F237-S239 PolarHBondContact O-OG 3.03Å; S239-D241 PolarHBondContact O-N 2.58Å; S239-K242 PolarHBondContact O-N 2.86Å; S239-I243 PolarHBondContact O-N 3.05Å
240	I	97.4	Very high	94.3	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62.6	-24.7	179.2	-161.3	67.4	0	0	0	113.4	M218 P238 K242 I243 A268 M269 R272	M218-I240 HydrophobicContact CB-CB 3.91Å; M218-I240 HydrophobicContact CB-CD1 4.36Å; M218-I240 HydrophobicContact CB-CG1 4.3Å; M218-I240 HydrophobicContact CB-CG2 4.35Å; M218-I240 HydrophobicContact CG-CB 4.43Å; M218-I240 HydrophobicContact CG-CD1 3.94Å; M218-I240 HydrophobicContact CG-CG1 4.33Å; M218-I240 WeakPolarHBondContact O-CB 3.26Å; M218-I240 PolarHBondContact O-N 2.71Å; M218-I240 HydrophobicContact SD-CD1 4.21Å; M218-I240 HydrophobicContact SD-CG1 4.44Å; P238-I240 PolarHBondContact O-N 2.88Å; I240-K242 VanDerWaalsContact C-N 3.33Å; I240-I243 HydrophobicContact CD1-CG2 4.45Å; I240-A268 HydrophobicContact CD1-CB 4.24Å; I240-M269 HydrophobicContact CB-SD 4.23Å; I240-M269 HydrophobicContact CD1-CG 4.3Å; I240-M269 HydrophobicContact CD1-SD 3.54Å; I240-M269 VanDerWaalsContact CD1-SD 3.54Å; I240-M269 HydrophobicContact CG1-SD 4.48Å; I240-R272 HydrophobicContact CD1-CG 4.36Å; I240-R272 VanDerWaalsContact CG1-CZ 3.49Å
241	D	96.9	Very high	94.7	Very high	73 Å²	73	38.3 Å²	38.3	39%	0.39	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-85.9	-10.5	176.5	-66.3	-6.1	0	0	0	112.2	T231 P238 S239	T231-D241 VanDerWaalsContact CB-OD2 3.26Å; T231-D241 WeakPolarHBondContact CB-OD2 3.42Å; T231-D241 WeakPolarHBondContact CG2-OD2 3.35Å; T231-D241 PolarHBondContact OG1-OD1 3.12Å; T231-D241 PolarHBondContact OG1-OD2 3.24Å; P238-D241 PolarHBondContact O-N 3.46Å; P238-D241 VanDerWaalsContact O-N 3.15Å; S239-D241 PolarHBondContact O-N 2.58Å
242	K	98.3	Very high	95.1	Very high	32 Å²	32	36.1 Å²	36.1	14%	0.139	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-29.4	-176.9	-60.4	-178.9	-171	-179.3	0	112.8	Y166 V200 D201 S239 I240 S244 K245	Y166-K242 PolarHBondContact OH-NZ 3.41Å; V200-K242 HydrophobicContact CG1-CB 3.84Å; D201-K242 HydrophobicContact CB-CD 4.28Å; D201-K242 IonicContact OD1-NZ 3.68Å; D201-K242 PolarHBondContact OD1-NZ 3.23Å; S239-K242 PolarHBondContact O-N 2.86Å; I240-K242 VanDerWaalsContact C-N 3.33Å; K242-S244 PolarHBondContact O-N 3.26Å; K242-S244 VanDerWaalsContact O-N 3.16Å; K242-K245 WeakPolarHBondContact O-CB 3.17Å; K242-K245 PolarHBondContact O-N 3.25Å
243	I	98.6	Very high	95.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-58.4	-31.7	-173	-168	58.9	0	0	0	113.8	V200 L213 S239 I240 K245 V246 M269 R272 C273	V200-I243 HydrophobicContact CG1-CB 4.35Å; V200-I243 HydrophobicContact CG1-CD1 4.29Å; V200-I243 HydrophobicContact CG2-CD1 4.2Å; L213-I243 HydrophobicContact CD1-CD1 3.88Å; S239-I243 PolarHBondContact O-N 3.05Å; I240-I243 HydrophobicContact CD1-CG2 4.45Å; I243-K245 PolarHBondContact O-N 3.31Å; I243-K245 VanDerWaalsContact O-N 3.16Å; I243-V246 HydrophobicContact CD1-CG2 4.06Å; I243-V246 WeakPolarHBondContact O-CB 3.32Å; I243-V246 PolarHBondContact O-N 2.72Å; I243-V246 VanDerWaalsContact O-N 3.15Å; I243-M269 HydrophobicContact CB-CE 3.76Å; I243-M269 HydrophobicContact CB-SD 4.26Å; I243-M269 HydrophobicContact CD1-CE 3.94Å; I243-M269 HydrophobicContact CG1-CE 3.83Å; I243-M269 HydrophobicContact CG2-CE 4.36Å; I243-M269 HydrophobicContact CG2-SD 4.2Å; I243-R272 HydrophobicContact CG2-CB 3.77Å; I243-C273 HydrophobicContact CD1-CB 4.27Å; I243-C273 HydrophobicContact CG1-CB 3.83Å
244	S	97.9	Very high	96.3	Very high	73 Å²	73	25.6 Å²	25.6	51%	0.51	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-67.7	-12.9	177.9	59.1	0	0	0	0	114.2	K242	K242-S244 PolarHBondContact O-N 3.26Å; K242-S244 VanDerWaalsContact O-N 3.16Å
245	K	98.5	Very high	97	Very high	128 Å²	128	22.9 Å²	22.9	56%	0.557	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-94.7	-8	177.7	-56.3	175.9	-174	172.8	0	112.8	K242 I243 T247	K242-K245 WeakPolarHBondContact O-CB 3.17Å; K242-K245 PolarHBondContact O-N 3.25Å; I243-K245 PolarHBondContact O-N 3.31Å; I243-K245 VanDerWaalsContact O-N 3.16Å; K245-T247 PolarHBondContact O-N 3.37Å
246	V	98.6	Very high	97.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	14%	0.137	C	C	.	.			trans	-74.2	118.7	179.5	180	0	0	0	0	109.1	A203 V211 I243 V250	A203-V246 HydrophobicContact CB-CG1 3.93Å; A203-V246 HydrophobicContact CB-CG2 3.86Å; V211-V246 HydrophobicContact CG2-CG1 4.02Å; I243-V246 HydrophobicContact CD1-CG2 4.06Å; I243-V246 WeakPolarHBondContact O-CB 3.32Å; I243-V246 PolarHBondContact O-N 2.72Å; I243-V246 VanDerWaalsContact O-N 3.15Å; V246-V250 HydrophobicContact CB-CG2 4.41Å; V246-V250 HydrophobicContact CG1-CG2 3.59Å
247	T	97.6	Very high	97.8	Very high	77 Å²	77	28.6 Å²	28.6	47%	0.472	15%	0.153	S	C	.	.			trans	-98.6	-17.2	-177.3	55	0	0	0	0	113.7	K245 R275	K245-T247 PolarHBondContact O-N 3.37Å; T247-R275 WeakPolarHBondContact O-CG 3.48Å
248	S	98.2	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-71.4	155.4	173.9	-47.3	0	0	0	0	111.4	C208 V250 R275	C208-S248 PolarHBondContact N-OG 3.13Å; C208-S248 PolarHBondContact O-OG 3.27Å; C208-S248 PolarHBondContact SG-OG 2.81Å; S248-V250 WeakPolarHBondContact O-CG2 3.47Å; S248-V250 PolarHBondContact O-N 3.08Å; S248-R275 WeakPolarHBondContact O-CB 3.18Å
249	P	98.4	Very high	97.9	Very high	23 Å²	23	35.8 Å²	35.8	15%	0.149	19%	0.185	C	C	.	.			trans	-56.1	134.2	168.8	-22.6	33.4	0	0	0	111.6	A210 V211 R275 V277 F303 L308	A210-P249 CarbonylContact C-O 3.32Å; A210-P249 WeakPolarHBondContact CA-O 3.2Å; V211-P249 PolarHBondContact N-O 3.36Å; P249-R275 WeakPolarHBondContact CA-O 3.28Å; P249-V277 HydrophobicContact CB-CG1 4.13Å; P249-F303 HydrophobicContact CB-CE2 4.28Å; P249-F303 HydrophobicContact CB-CZ 4.26Å; P249-L308 HydrophobicContact CB-CD2 4.44Å; P249-L308 HydrophobicContact CG-CD2 4.49Å
250	V	98.9	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.9	-177.3	-172.6	0	0	0	0	111.2	V211 L213 V246 S248 V252 C273 R275 A276 V277	V211-V250 HydrophobicContact CB-CB 4.48Å; V211-V250 HydrophobicContact CB-CG1 4.24Å; V211-V250 HydrophobicContact CB-CG2 4.07Å; V211-V250 HydrophobicContact CG1-CG1 4.37Å; V211-V250 HydrophobicContact CG2-CG2 4.44Å; V211-V250 CarbonylContact O-C 3.5Å; V211-V250 WeakPolarHBondContact O-CA 3.46Å; L213-V250 HydrophobicContact CD1-CG1 3.93Å; L213-V250 HydrophobicContact CG-CG1 4.01Å; V246-V250 HydrophobicContact CB-CG2 4.41Å; V246-V250 HydrophobicContact CG1-CG2 3.59Å; S248-V250 WeakPolarHBondContact O-CG2 3.47Å; S248-V250 PolarHBondContact O-N 3.08Å; V250-V252 HydrophobicContact CG1-CG2 4.32Å; V250-C273 VanDerWaalsContact CB-SG 3.55Å; V250-C273 WeakPolarHBondContact CG2-SG 3.38Å; V250-R275 PolarHBondContact N-O 3.38Å; V250-A276 WeakPolarHBondContact O-CA 3.47Å; V250-V277 WeakPolarHBondContact O-CG2 3.17Å; V250-V277 PolarHBondContact O-N 3.02Å
251	L	98.9	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.9	167.7	172.8	60.3	0	0	0	109.2	V211 I212 L213 I253 V277 E278 R299 L300 F303	V211-L251 PolarHBondContact O-N 3.14Å; I212-L251 WeakPolarHBondContact CA-O 3.23Å; I212-L251 HydrophobicContact CG1-CB 4.37Å; L213-L251 PolarHBondContact N-O 2.87Å; L251-I253 HydrophobicContact CD1-CG1 4.43Å; L251-I253 HydrophobicContact CD2-CD1 4.05Å; L251-I253 HydrophobicContact CD2-CG1 4.14Å; L251-I253 HydrophobicContact CG-CD1 4.38Å; L251-I253 HydrophobicContact CG-CG1 3.96Å; L251-V277 HydrophobicContact CB-CG2 3.91Å; L251-V277 HydrophobicContact CD1-CG2 4.22Å; L251-E278 VanDerWaalsContact CD1-O 3.27Å; L251-E278 WeakPolarHBondContact CD1-O 3.32Å; L251-R299 HydrophobicContact CD1-CG 4.07Å; L251-R299 HydrophobicContact CD2-CG 3.97Å; L251-L300 HydrophobicContact CD2-CD2 4.1Å; L251-F303 HydrophobicContact CB-CD1 3.82Å; L251-F303 HydrophobicContact CB-CD2 4.43Å; L251-F303 HydrophobicContact CB-CE1 3.64Å; L251-F303 HydrophobicContact CB-CE2 4.3Å; L251-F303 HydrophobicContact CB-CG 4.21Å; L251-F303 HydrophobicContact CB-CZ 3.88Å; L251-F303 HydrophobicContact CD2-CB 3.98Å; L251-F303 HydrophobicContact CD2-CD1 3.74Å; L251-F303 HydrophobicContact CD2-CE1 4.4Å; L251-F303 HydrophobicContact CD2-CG 3.94Å; L251-F303 HydrophobicContact CG-CD1 4.44Å
252	V	98.9	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.4	169.9	-171.5	0	0	0	0	109.1	L213 P216 V250 Y270 P279 L280 W281	L213-V252 WeakPolarHBondContact O-CA 3.33Å; P216-V252 HydrophobicContact CG-CG1 3.89Å; V250-V252 HydrophobicContact CG1-CG2 4.32Å; V252-Y270 HydrophobicContact CG2-CD2 4.41Å; V252-P279 CarbonylContact O-C 3.55Å; V252-P279 WeakPolarHBondContact O-CA 3.3Å; V252-L280 PolarHBondContact O-N 2.62Å; V252-W281 HydrophobicContact CB-CH2 3.98Å; V252-W281 HydrophobicContact CB-CZ3 4.18Å; V252-W281 HydrophobicContact CG1-CH2 3.77Å; V252-W281 HydrophobicContact CG1-CZ3 3.71Å
253	I	98.9	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.3	176.3	-53.3	177.5	0	0	0	107.7	I212 L213 S215 L251 L280 I290 Y296 L300	I212-I253 HydrophobicContact CG2-CD1 3.92Å; I212-I253 HydrophobicContact CG2-CG1 4.47Å; L213-I253 PolarHBondContact O-N 3.09Å; S215-I253 PolarHBondContact N-O 3.07Å; L251-I253 HydrophobicContact CD1-CG1 4.43Å; L251-I253 HydrophobicContact CD2-CD1 4.05Å; L251-I253 HydrophobicContact CD2-CG1 4.14Å; L251-I253 HydrophobicContact CG-CD1 4.38Å; L251-I253 HydrophobicContact CG-CG1 3.96Å; I253-L280 CarbonylContact C-O 3.49Å; I253-L280 VanDerWaalsContact CA-O 3.31Å; I253-L280 WeakPolarHBondContact CA-O 3.27Å; I253-L280 HydrophobicContact CG1-CB 4.22Å; I253-L280 HydrophobicContact CG2-CB 4.28Å; I253-L280 HydrophobicContact CG2-CD2 3.91Å; I253-L280 HydrophobicContact CG2-CG 4.24Å; I253-I290 HydrophobicContact CG2-CG2 3.85Å; I253-Y296 HydrophobicContact CD1-CD2 4.12Å; I253-Y296 HydrophobicContact CD1-CE2 3.98Å; I253-Y296 HydrophobicContact CG2-CD2 4.37Å; I253-L300 HydrophobicContact CD1-CD2 3.87Å; I253-L300 HydrophobicContact CD1-CG 4.32Å
254	H	98.9	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	141.6	-180	-143.6	121.5	0	0	0	111.2	D258 I261 F263 G266 L280 W281 V282	H254-D258 IonicContact CD2-OD2 2.9Å; H254-D258 IonicContact NE2-OD2 3.82Å; H254-D258 PolarHBondContact NE2-OD2 3.43Å; H254-I261 PolarHBondContact CE1-O 2.84Å; H254-I261 PolarHBondContact NE2-O 2.97Å; H254-F263 HydrophobicContact CB-CD2 4.17Å; H254-F263 HydrophobicContact CB-CE2 4.41Å; H254-G266 WeakPolarHBondContact ND1-CA 3.34Å; H254-G266 PolarHBondContact ND1-N 2.95Å; H254-L280 PolarHBondContact N-O 2.87Å; H254-W281 HydrophobicContact CB-CE3 3.8Å; H254-W281 HydrophobicContact CB-CZ3 3.72Å; H254-W281 CarbonylContact O-C 3.29Å; H254-W281 WeakPolarHBondContact O-CA 3.47Å; H254-V282 PolarHBondContact O-N 3.12Å
255	G	98.6	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.9	171.3	0	0	0	0	0	111.7	E257 V282 A285 I290	G255-E257 VanDerWaalsContact C-N 3.28Å; G255-E257 PolarHBondContact O-N 2.78Å; G255-V282 WeakPolarHBondContact CA-O 3.35Å; G255-A285 CarbonylContact C-O 3.6Å; G255-A285 VanDerWaalsContact C-O 3.29Å; G255-A285 WeakPolarHBondContact CA-O 3.38Å; G255-I290 VanDerWaalsContact N-CD1 3.31Å
256	T	98.4	Very high	97.5	Very high	35 Å²	35	33.9 Å²	33.9	22%	0.215	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-17	-179	61.7	0	0	0	0	113.2	F263 W281 V282 E283 G284 A285	T256-F263 HydrophobicContact CG2-CD2 4.46Å; T256-F263 HydrophobicContact CG2-CE2 4.31Å; T256-W281 HydrophobicContact CG2-CB 4.32Å; T256-V282 PolarHBondContact N-O 3.18Å; T256-E283 WeakPolarHBondContact OG1-CA 3.49Å; T256-E283 PolarHBondContact OG1-OE1 2.98Å; T256-G284 PolarHBondContact OG1-N 3.48Å; T256-A285 PolarHBondContact N-O 2.87Å
257	E	97.8	Very high	97.5	Very high	119 Å²	119	36.7 Å²	36.7	56%	0.556	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	32.3	178.2	-60.1	-171.7	-176.3	0	0	111.6	G255 E259 A285 G286	G255-E257 VanDerWaalsContact C-N 3.28Å; G255-E257 PolarHBondContact O-N 2.78Å; E257-E259 PolarHBondContact O-N 2.79Å; E257-A285 CarbonylContact C-O 3.42Å; E257-A285 WeakPolarHBondContact CA-O 3.36Å; E257-A285 PolarHBondContact N-O 3.44Å; E257-G286 WeakPolarHBondContact O-CA 3.33Å
258	D	97.3	Very high	97.5	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.032	18%	0.179	C	C	.	.			trans	-71.5	98.7	178.9	-169.4	-24.7	0	0	0	112.2	S215 H254 V260 I261 D262 H287	S215-D258 PolarHBondContact OG-OD2 3.23Å; H254-D258 IonicContact CD2-OD2 2.9Å; H254-D258 IonicContact NE2-OD2 3.82Å; H254-D258 PolarHBondContact NE2-OD2 3.43Å; D258-V260 VanDerWaalsContact C-N 3.3Å; D258-V260 PolarHBondContact O-N 3.17Å; D258-V260 PolarHBondContact OD1-N 2.83Å; D258-I261 VanDerWaalsContact CB-O 3.32Å; D258-I261 WeakPolarHBondContact CB-O 3.02Å; D258-I261 CarbonylContact O-C 3.47Å; D258-I261 PolarHBondContact OD1-N 3.17Å; D258-D262 WeakPolarHBondContact O-CA 3.44Å; D258-H287 VanDerWaalsContact CG-ND1 3.27Å; D258-H287 VanDerWaalsContact OD1-CB 3.23Å; D258-H287 WeakPolarHBondContact OD1-CB 3.5Å; D258-H287 IonicContact OD1-CG 3.46Å; D258-H287 IonicContact OD1-ND1 3.45Å; D258-H287 PolarHBondContact OD1-ND1 3.34Å; D258-H287 IonicContact OD2-CE1 2.74Å; D258-H287 IonicContact OD2-CG 3.04Å; D258-H287 IonicContact OD2-ND1 3.64Å; D258-H287 PolarHBondContact OD2-ND1 3.05Å
259	E	91	Very high	97.5	Very high	181 Å²	181	33.7 Å²	33.7	85%	0.846	18%	0.179	S	C	*	.	S	Bend	trans	-78.4	-6.2	179.3	-65.9	-69.5	174.4	0	0	114.5	E257	E257-E259 PolarHBondContact O-N 2.79Å
260	V	91.9	Very high	97.6	Very high	79 Å²	79	35.8 Å²	35.8	48%	0.479	18%	0.184	S	C	.	.	S	Bend	trans	-99.4	-48.4	-179.6	-178.5	0	0	0	0	110.1	D258 H287	D258-V260 VanDerWaalsContact C-N 3.3Å; D258-V260 PolarHBondContact O-N 3.17Å; D258-V260 PolarHBondContact OD1-N 2.83Å; V260-H287 HydrophobicContact CB-CB 3.81Å; V260-H287 HydrophobicContact CG2-CB 3.64Å
261	I	94.6	Very high	97.5	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.051	22%	0.215	C	C	.	.	S	Bend	trans	-126.5	96.4	176.1	-53.1	-63.7	0	0	0	106.5	P216 L217 V223 H254 D258 F263 H265 H287	P216-I261 WeakPolarHBondContact O-CG2 3.46Å; L217-I261 HydrophobicContact CB-CD1 4.3Å; L217-I261 HydrophobicContact CB-CG2 4.14Å; V223-I261 HydrophobicContact CB-CD1 4.38Å; V223-I261 HydrophobicContact CG1-CD1 3.8Å; V223-I261 HydrophobicContact CG2-CD1 3.56Å; H254-I261 PolarHBondContact CE1-O 2.84Å; H254-I261 PolarHBondContact NE2-O 2.97Å; D258-I261 VanDerWaalsContact CB-O 3.32Å; D258-I261 WeakPolarHBondContact CB-O 3.02Å; D258-I261 CarbonylContact O-C 3.47Å; D258-I261 PolarHBondContact OD1-N 3.17Å; I261-F263 PolarHBondContact O-N 3.48Å; I261-H265 HydrophobicContact CG2-CB 3.75Å; I261-H287 VanDerWaalsContact CG1-CE1 3.41Å; I261-H287 WeakPolarHBondContact CG1-CE1 3.49Å
262	D	97.2	Very high	97.5	Very high	81 Å²	81	48 Å²	48	43%	0.433	24%	0.236	S	C	.	.			trans	-46.8	140.5	-176.5	177.1	-95	0	0	0	112.5	D258 S264 H265	D258-D262 WeakPolarHBondContact O-CA 3.44Å; D262-S264 PolarHBondContact O-N 2.74Å; D262-S264 WeakPolarHBondContact OD1-CA 3.33Å; D262-S264 WeakPolarHBondContact OD1-CB 3.2Å; D262-S264 PolarHBondContact OD1-N 2.96Å; D262-S264 PolarHBondContact OD1-OG 3.04Å; D262-H265 WeakPolarHBondContact O-CB 3.45Å; D262-H265 PolarHBondContact O-N 3.49Å
263	F	98.1	Very high	97.5	Very high	50 Å²	50	48.5 Å²	48.5	22%	0.219	24%	0.239	C	C	.	.	H	α-helix	trans	-50.6	-29.9	-177.8	174.7	-108.2	0	0	0	113.7	H254 T256 I261 H265 G266 L267 W281	H254-F263 HydrophobicContact CB-CD2 4.17Å; H254-F263 HydrophobicContact CB-CE2 4.41Å; T256-F263 HydrophobicContact CG2-CD2 4.46Å; T256-F263 HydrophobicContact CG2-CE2 4.31Å; I261-F263 PolarHBondContact O-N 3.48Å; F263-H265 PolarHBondContact O-N 3.03Å; F263-H265 VanDerWaalsContact O-N 3.09Å; F263-G266 PolarHBondContact O-N 3.46Å; F263-G266 VanDerWaalsContact O-N 3.08Å; F263-L267 HydrophobicContact CE1-CB 4.43Å; F263-L267 PolarHBondContact O-N 3.05Å; F263-L267 VanDerWaalsContact O-N 3.1Å; F263-W281 HydrophobicContact CE2-CB 4.13Å; F263-W281 AromaticContact CE2-CD2 3.66Å; F263-W281 HydrophobicContact CE2-CD2 3.66Å; F263-W281 AromaticContact CE2-CE3 3.62Å; F263-W281 HydrophobicContact CE2-CE3 3.62Å; F263-W281 AromaticContact CE2-CG 3.9Å; F263-W281 HydrophobicContact CE2-CG 3.9Å; F263-W281 HydrophobicContact CE2-CZ3 4.25Å; F263-W281 HydrophobicContact CZ-CB 4.42Å; F263-W281 AromaticContact CZ-CD2 3.91Å; F263-W281 HydrophobicContact CZ-CD2 3.91Å; F263-W281 HydrophobicContact CZ-CE3 4.29Å; F263-W281 AromaticContact CZ-CG 3.96Å; F263-W281 HydrophobicContact CZ-CG 3.96Å
264	S	98.1	Very high	97.4	Very high	47 Å²	47	52.6 Å²	52.6	33%	0.329	27%	0.266	S	S	.	.	H	α-helix	trans	-57.6	-24.7	175.6	68.1	0	0	0	0	113.5	D262 A268	D262-S264 PolarHBondContact O-N 2.74Å; D262-S264 WeakPolarHBondContact OD1-CA 3.33Å; D262-S264 WeakPolarHBondContact OD1-CB 3.2Å; D262-S264 PolarHBondContact OD1-N 2.96Å; D262-S264 PolarHBondContact OD1-OG 3.04Å; S264-A268 WeakPolarHBondContact O-CB 3.32Å; S264-A268 PolarHBondContact O-N 3.5Å
265	H	98.4	Very high	97.3	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-47.9	174.9	-74	-132.7	0	0	0	111.7	P216 L217 M218 R222 V223 I261 D262 F263 A268 M269	P216-H265 WeakPolarHBondContact O-CB 3.38Å; L217-H265 WeakPolarHBondContact CA-ND1 3.3Å; M218-H265 HydrophobicContact CE-CB 4.33Å; M218-H265 WeakPolarHBondContact CE-CD2 3.35Å; M218-H265 HydrophobicContact CG-CB 4.11Å; M218-H265 PolarHBondContact N-ND1 3.15Å; M218-H265 VanDerWaalsContact N-ND1 3.14Å; R222-H265 PolarHBondContact O-NE2 3.26Å; V223-H265 VanDerWaalsContact CG2-CE1 3.47Å; V223-H265 WeakPolarHBondContact CG2-CE1 3.49Å; V223-H265 PolarHBondContact N-CE1 3.43Å; I261-H265 HydrophobicContact CG2-CB 3.75Å; D262-H265 WeakPolarHBondContact O-CB 3.45Å; D262-H265 PolarHBondContact O-N 3.49Å; F263-H265 PolarHBondContact O-N 3.03Å; F263-H265 VanDerWaalsContact O-N 3.09Å; H265-A268 PolarHBondContact O-N 3.21Å; H265-M269 WeakPolarHBondContact O-CB 3.41Å; H265-M269 WeakPolarHBondContact O-CG 3.28Å; H265-M269 PolarHBondContact O-N 3.48Å
266	G	98.4	Very high	97.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-48.3	174.7	0	0	0	0	0	111.5	H254 F263 A268 M269 Y270	H254-G266 WeakPolarHBondContact ND1-CA 3.34Å; H254-G266 PolarHBondContact ND1-N 2.95Å; F263-G266 PolarHBondContact O-N 3.46Å; F263-G266 VanDerWaalsContact O-N 3.08Å; G266-A268 PolarHBondContact O-N 2.89Å; G266-M269 PolarHBondContact O-N 3.45Å; G266-Y270 WeakPolarHBondContact O-CB 3.48Å; G266-Y270 PolarHBondContact O-N 2.79Å
267	L	98.6	Very high	97.2	Very high	60 Å²	60	60.6 Å²	60.6	31%	0.314	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-48.5	178.8	-176.2	61.6	0	0	0	112	F263 M269 Y270 E271	F263-L267 HydrophobicContact CE1-CB 4.43Å; F263-L267 PolarHBondContact O-N 3.05Å; F263-L267 VanDerWaalsContact O-N 3.1Å; L267-M269 PolarHBondContact O-N 3.24Å; L267-Y270 WeakPolarHBondContact O-CB 3.35Å; L267-Y270 PolarHBondContact O-N 2.65Å; L267-E271 HydrophobicContact CD1-CG 4.28Å; L267-E271 HydrophobicContact CG-CG 4.48Å; L267-E271 WeakPolarHBondContact O-CG 3.29Å; L267-E271 PolarHBondContact O-N 3.48Å
268	A	98.4	Very high	97.3	Very high	15 Å²	15	61.3 Å²	61.3	12%	0.124	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-35.7	-179.5	0	0	0	0	0	113	M218 I240 S264 H265 G266 R272	M218-A268 HydrophobicContact CE-CB 4.4Å; M218-A268 HydrophobicContact CG-CB 4.18Å; M218-A268 HydrophobicContact SD-CB 3.46Å; M218-A268 WeakPolarHBondContact SD-CB 3.44Å; I240-A268 HydrophobicContact CD1-CB 4.24Å; S264-A268 WeakPolarHBondContact O-CB 3.32Å; S264-A268 PolarHBondContact O-N 3.5Å; H265-A268 PolarHBondContact O-N 3.21Å; G266-A268 PolarHBondContact O-N 2.89Å; A268-R272 WeakPolarHBondContact O-CB 3.44Å; A268-R272 WeakPolarHBondContact O-CG 3.33Å; A268-R272 PolarHBondContact O-N 3.46Å; A268-R272 VanDerWaalsContact O-N 3.16Å
269	M	98.6	Very high	97.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-40.8	174.9	-70.4	-66.9	-70.8	0	0	111.1	V200 L213 P216 M218 I240 I243 H265 G266 L267 C273	V200-M269 HydrophobicContact CG1-CE 4.49Å; V200-M269 HydrophobicContact CG2-CE 3.92Å; L213-M269 HydrophobicContact CD1-CE 4.18Å; P216-M269 HydrophobicContact CB-CG 4.21Å; P216-M269 HydrophobicContact CG-CB 4.16Å; P216-M269 HydrophobicContact CG-CG 4.2Å; M218-M269 HydrophobicContact CG-CG 4.4Å; I240-M269 HydrophobicContact CB-SD 4.23Å; I240-M269 HydrophobicContact CD1-CG 4.3Å; I240-M269 HydrophobicContact CD1-SD 3.54Å; I240-M269 VanDerWaalsContact CD1-SD 3.54Å; I240-M269 HydrophobicContact CG1-SD 4.48Å; I243-M269 HydrophobicContact CB-CE 3.76Å; I243-M269 HydrophobicContact CB-SD 4.26Å; I243-M269 HydrophobicContact CD1-CE 3.94Å; I243-M269 HydrophobicContact CG1-CE 3.83Å; I243-M269 HydrophobicContact CG2-CE 4.36Å; I243-M269 HydrophobicContact CG2-SD 4.2Å; H265-M269 WeakPolarHBondContact O-CB 3.41Å; H265-M269 WeakPolarHBondContact O-CG 3.28Å; H265-M269 PolarHBondContact O-N 3.48Å; G266-M269 PolarHBondContact O-N 3.45Å; L267-M269 PolarHBondContact O-N 3.24Å; M269-C273 VanDerWaalsContact O-CB 3.3Å; M269-C273 WeakPolarHBondContact O-CB 3.28Å; M269-C273 PolarHBondContact O-N 3.15Å
270	Y	98.8	Very high	97.7	Very high	66 Å²	66	53.9 Å²	53.9	26%	0.259	27%	0.272	S	S	.	.	H	α-helix	trans	-61.2	-53.7	173.6	172.2	-102.7	0	0	0	111.7	V252 G266 L267 R272 C273 A276 V277 P279 W281	V252-Y270 HydrophobicContact CG2-CD2 4.41Å; G266-Y270 WeakPolarHBondContact O-CB 3.48Å; G266-Y270 PolarHBondContact O-N 2.79Å; L267-Y270 WeakPolarHBondContact O-CB 3.35Å; L267-Y270 PolarHBondContact O-N 2.65Å; Y270-R272 VanDerWaalsContact C-N 3.27Å; Y270-R272 PolarHBondContact O-N 3.26Å; Y270-C273 PolarHBondContact O-N 2.54Å; Y270-A276 HydrophobicContact CD2-CB 3.51Å; Y270-A276 HydrophobicContact CE2-CB 3.43Å; Y270-A276 VanDerWaalsContact CE2-CB 3.43Å; Y270-A276 HydrophobicContact CG-CB 4.46Å; Y270-V277 WeakPolarHBondContact CE2-O 3.41Å; Y270-P279 HydrophobicContact CD2-CB 3.93Å; Y270-P279 HydrophobicContact CD2-CG 4.02Å; Y270-P279 HydrophobicContact CE1-CG 4.3Å; Y270-P279 HydrophobicContact CE2-CB 4.06Å; Y270-P279 HydrophobicContact CE2-CG 3.76Å; Y270-P279 HydrophobicContact CG-CB 4.47Å; Y270-P279 HydrophobicContact CG-CG 4.44Å; Y270-W281 HydrophobicContact CD1-CZ2 4.18Å; Y270-W281 HydrophobicContact CG-CH2 4.26Å; Y270-W281 HydrophobicContact CG-CZ2 4.02Å
271	E	98.4	Very high	98	Very high	140 Å²	140	53.5 Å²	53.5	65%	0.654	26%	0.262	S	S	*	.	H	α-helix	trans	-61.7	-31.2	-177.5	-72.8	179.4	160.4	0	0	113.6	L267	L267-E271 HydrophobicContact CD1-CG 4.28Å; L267-E271 HydrophobicContact CG-CG 4.48Å; L267-E271 WeakPolarHBondContact O-CG 3.29Å; L267-E271 PolarHBondContact O-N 3.48Å
272	R	98.1	Very high	98.2	Very high	118 Å²	118	53 Å²	53	45%	0.445	26%	0.26	S	S	.	.	H	α-helix	trans	-88.7	-8.1	178.1	-66.7	-169	-162.9	-170.4	2.1	113.8	I240 I243 A268 Y270 P274	I240-R272 HydrophobicContact CD1-CG 4.36Å; I240-R272 VanDerWaalsContact CG1-CZ 3.49Å; I243-R272 HydrophobicContact CG2-CB 3.77Å; A268-R272 WeakPolarHBondContact O-CB 3.44Å; A268-R272 WeakPolarHBondContact O-CG 3.33Å; A268-R272 PolarHBondContact O-N 3.46Å; A268-R272 VanDerWaalsContact O-N 3.16Å; Y270-R272 VanDerWaalsContact C-N 3.27Å; Y270-R272 PolarHBondContact O-N 3.26Å; R272-P274 WeakPolarHBondContact O-CD 3.23Å
273	C	98.1	Very high	98.2	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.061	27%	0.27	C	S	.	.			trans	-85.5	117	-179.7	-177.3	0	0	0	0	110.3	I243 V250 M269 Y270 R275 A276	I243-C273 HydrophobicContact CD1-CB 4.27Å; I243-C273 HydrophobicContact CG1-CB 3.83Å; V250-C273 VanDerWaalsContact CB-SG 3.55Å; V250-C273 WeakPolarHBondContact CG2-SG 3.38Å; M269-C273 VanDerWaalsContact O-CB 3.3Å; M269-C273 WeakPolarHBondContact O-CB 3.28Å; M269-C273 PolarHBondContact O-N 3.15Å; Y270-C273 PolarHBondContact O-N 2.54Å; C273-R275 PolarHBondContact O-N 3.36Å; C273-A276 HydrophobicContact CB-CB 4.05Å; C273-A276 PolarHBondContact O-N 2.87Å
274	P	96.8	Very high	98.2	Very high	86 Å²	86	54.5 Å²	54.5	56%	0.558	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.4	-175	28.8	-36.4	0	0	0	113.4	R272	R272-P274 WeakPolarHBondContact O-CD 3.23Å
275	R	97.1	Very high	98.2	Very high	141 Å²	141	52.3 Å²	52.3	53%	0.532	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	28.3	-175.5	-65.1	-65.8	-59.8	-123.6	-2.6	111.5	T247 S248 P249 V250 C273 V277	T247-R275 WeakPolarHBondContact O-CG 3.48Å; S248-R275 WeakPolarHBondContact O-CB 3.18Å; P249-R275 WeakPolarHBondContact CA-O 3.28Å; V250-R275 PolarHBondContact N-O 3.38Å; C273-R275 PolarHBondContact O-N 3.36Å; R275-V277 PolarHBondContact O-N 2.83Å
276	A	97.9	Very high	98	Very high	32 Å²	32	52.9 Å²	52.9	26%	0.264	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-61.4	133.1	173	0	0	0	0	0	110.4	V250 Y270 C273	V250-A276 WeakPolarHBondContact O-CA 3.47Å; Y270-A276 HydrophobicContact CD2-CB 3.51Å; Y270-A276 HydrophobicContact CE2-CB 3.43Å; Y270-A276 VanDerWaalsContact CE2-CB 3.43Å; Y270-A276 HydrophobicContact CG-CB 4.46Å; C273-A276 HydrophobicContact CB-CB 4.05Å; C273-A276 PolarHBondContact O-N 2.87Å
277	V	98.3	Very high	97.9	Very high	30 Å²	30	53.8 Å²	53.8	18%	0.182	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-94.4	173.4	165.3	-59.5	0	0	0	0	109.6	P249 V250 L251 Y270 R275 P279 F303	P249-V277 HydrophobicContact CB-CG1 4.13Å; V250-V277 WeakPolarHBondContact O-CG2 3.17Å; V250-V277 PolarHBondContact O-N 3.02Å; L251-V277 HydrophobicContact CB-CG2 3.91Å; L251-V277 HydrophobicContact CD1-CG2 4.22Å; Y270-V277 WeakPolarHBondContact CE2-O 3.41Å; R275-V277 PolarHBondContact O-N 2.83Å; V277-P279 VanDerWaalsContact O-N 3.07Å; V277-F303 HydrophobicContact CB-CE2 4.26Å; V277-F303 HydrophobicContact CG1-CE2 3.93Å; V277-F303 HydrophobicContact CG2-CD2 3.78Å; V277-F303 HydrophobicContact CG2-CE2 3.45Å; V277-F303 VanDerWaalsContact CG2-CE2 3.45Å; V277-F303 HydrophobicContact CG2-CZ 4.16Å
278	E	98.3	Very high	97.6	Very high	134 Å²	134	57 Å²	57	63%	0.626	28%	0.284	S	S	*	.	S	Bend	trans	-48.8	118.7	178.9	-172.2	61.6	-157.1	0	0	110.9	L251 R299	L251-E278 VanDerWaalsContact CD1-O 3.27Å; L251-E278 WeakPolarHBondContact CD1-O 3.32Å; E278-R299 VanDerWaalsContact O-CZ 3.22Å; E278-R299 PolarHBondContact O-NE 3.06Å; E278-R299 PolarHBondContact O-NH2 3.45Å
279	P	98.7	Very high	97.4	Very high	13 Å²	13	58.6 Å²	58.6	8%	0.084	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-74.5	172	-174.9	31.7	-34	0	0	0	111	V252 Y270 V277 W281	V252-P279 CarbonylContact O-C 3.55Å; V252-P279 WeakPolarHBondContact O-CA 3.3Å; Y270-P279 HydrophobicContact CD2-CB 3.93Å; Y270-P279 HydrophobicContact CD2-CG 4.02Å; Y270-P279 HydrophobicContact CE1-CG 4.3Å; Y270-P279 HydrophobicContact CE2-CB 4.06Å; Y270-P279 HydrophobicContact CE2-CG 3.76Å; Y270-P279 HydrophobicContact CG-CB 4.47Å; Y270-P279 HydrophobicContact CG-CG 4.44Å; V277-P279 VanDerWaalsContact O-N 3.07Å; P279-W281 HydrophobicContact CB-CD2 4.05Å; P279-W281 HydrophobicContact CB-CE3 4.25Å; P279-W281 HydrophobicContact CB-CH2 3.56Å; P279-W281 HydrophobicContact CB-CZ2 3.27Å; P279-W281 HydrophobicContact CB-CZ3 4.03Å; P279-W281 HydrophobicContact CG-CD2 4.25Å; P279-W281 HydrophobicContact CG-CH2 4.19Å; P279-W281 HydrophobicContact CG-CZ2 3.38Å
280	L	98.8	Very high	97.3	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.094	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	106.2	166.3	175.3	65.8	0	0	0	109.8	V252 I253 H254 V282 Q295 R299	V252-L280 PolarHBondContact O-N 2.62Å; I253-L280 CarbonylContact C-O 3.49Å; I253-L280 VanDerWaalsContact CA-O 3.31Å; I253-L280 WeakPolarHBondContact CA-O 3.27Å; I253-L280 HydrophobicContact CG1-CB 4.22Å; I253-L280 HydrophobicContact CG2-CB 4.28Å; I253-L280 HydrophobicContact CG2-CD2 3.91Å; I253-L280 HydrophobicContact CG2-CG 4.24Å; H254-L280 PolarHBondContact N-O 2.87Å; L280-V282 HydrophobicContact CD1-CG2 4.25Å; L280-V282 HydrophobicContact CD2-CG2 3.91Å; L280-V282 HydrophobicContact CG-CG2 3.73Å; L280-Q295 HydrophobicContact CD1-CB 4.23Å; L280-Q295 HydrophobicContact CD1-CG 4.1Å; L280-Q295 HydrophobicContact CD2-CG 4.49Å; L280-R299 HydrophobicContact CB-CB 4.27Å; L280-R299 HydrophobicContact CB-CG 3.86Å; L280-R299 HydrophobicContact CD1-CB 4.4Å; L280-R299 HydrophobicContact CD2-CB 3.75Å; L280-R299 HydrophobicContact CD2-CG 4.23Å; L280-R299 HydrophobicContact CG-CB 4.37Å; L280-R299 HydrophobicContact CG-CG 4.49Å
281	W	98.8	Very high	97.2	Very high	71 Å²	71	57.5 Å²	57.5	27%	0.269	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.5	167.7	-46.7	137.7	0	0	0	108.4	V252 H254 T256 F263 Y270 P279 Q295	V252-W281 HydrophobicContact CB-CH2 3.98Å; V252-W281 HydrophobicContact CB-CZ3 4.18Å; V252-W281 HydrophobicContact CG1-CH2 3.77Å; V252-W281 HydrophobicContact CG1-CZ3 3.71Å; H254-W281 HydrophobicContact CB-CE3 3.8Å; H254-W281 HydrophobicContact CB-CZ3 3.72Å; H254-W281 CarbonylContact O-C 3.29Å; H254-W281 WeakPolarHBondContact O-CA 3.47Å; T256-W281 HydrophobicContact CG2-CB 4.32Å; F263-W281 HydrophobicContact CE2-CB 4.13Å; F263-W281 AromaticContact CE2-CD2 3.66Å; F263-W281 HydrophobicContact CE2-CD2 3.66Å; F263-W281 AromaticContact CE2-CE3 3.62Å; F263-W281 HydrophobicContact CE2-CE3 3.62Å; F263-W281 AromaticContact CE2-CG 3.9Å; F263-W281 HydrophobicContact CE2-CG 3.9Å; F263-W281 HydrophobicContact CE2-CZ3 4.25Å; F263-W281 HydrophobicContact CZ-CB 4.42Å; F263-W281 AromaticContact CZ-CD2 3.91Å; F263-W281 HydrophobicContact CZ-CD2 3.91Å; F263-W281 HydrophobicContact CZ-CE3 4.29Å; F263-W281 AromaticContact CZ-CG 3.96Å; F263-W281 HydrophobicContact CZ-CG 3.96Å; Y270-W281 HydrophobicContact CD1-CZ2 4.18Å; Y270-W281 HydrophobicContact CG-CH2 4.26Å; Y270-W281 HydrophobicContact CG-CZ2 4.02Å; P279-W281 HydrophobicContact CB-CD2 4.05Å; P279-W281 HydrophobicContact CB-CE3 4.25Å; P279-W281 HydrophobicContact CB-CH2 3.56Å; P279-W281 HydrophobicContact CB-CZ2 3.27Å; P279-W281 HydrophobicContact CB-CZ3 4.03Å; P279-W281 HydrophobicContact CG-CD2 4.25Å; P279-W281 HydrophobicContact CG-CH2 4.19Å; P279-W281 HydrophobicContact CG-CZ2 3.38Å; W281-Q295 PolarHBondContact O-NE2 2.96Å
282	V	98.4	Very high	97.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	100.2	-178.1	-170.3	0	0	0	0	109.5	H254 G255 T256 L280 G284 A285 I290 Y293 Q295	H254-V282 PolarHBondContact O-N 3.12Å; G255-V282 WeakPolarHBondContact CA-O 3.35Å; T256-V282 PolarHBondContact N-O 3.18Å; L280-V282 HydrophobicContact CD1-CG2 4.25Å; L280-V282 HydrophobicContact CD2-CG2 3.91Å; L280-V282 HydrophobicContact CG-CG2 3.73Å; V282-G284 PolarHBondContact O-N 3.41Å; V282-A285 HydrophobicContact CB-CB 3.71Å; V282-A285 HydrophobicContact CG1-CB 3.42Å; V282-A285 VanDerWaalsContact CG1-CB 3.42Å; V282-A285 PolarHBondContact O-N 2.79Å; V282-I290 HydrophobicContact CG2-CG2 3.99Å; V282-Y293 HydrophobicContact CG1-CD1 3.77Å; V282-Y293 HydrophobicContact CG1-CD2 3.85Å; V282-Y293 HydrophobicContact CG1-CE1 4.27Å; V282-Y293 HydrophobicContact CG1-CE2 4.36Å; V282-Y293 HydrophobicContact CG1-CG 3.55Å; V282-Q295 VanDerWaalsContact CA-NE2 3.34Å; V282-Q295 HydrophobicContact CG1-CG 4.19Å; V282-Q295 HydrophobicContact CG2-CG 4.25Å
283	E	98.3	Very high	97.1	Very high	139 Å²	139	55.9 Å²	55.9	65%	0.65	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	125.3	-178	-164.8	62.3	-114.4	0	0	111.2	T256 A285	T256-E283 WeakPolarHBondContact OG1-CA 3.49Å; T256-E283 PolarHBondContact OG1-OE1 2.98Å; E283-A285 PolarHBondContact O-N 2.95Å
284	G	97.5	Very high	97	Very high	24 Å²	24	58.7 Å²	58.7	25%	0.247	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-3	-179.9	0	0	0	0	0	115.4	T256 V282 Y293	T256-G284 PolarHBondContact OG1-N 3.48Å; V282-G284 PolarHBondContact O-N 3.41Å; G284-Y293 PolarHBondContact O-OH 3.05Å
285	A	98.1	Very high	97.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.			trans	-81	142.2	174.3	0	0	0	0	0	111.5	G255 T256 E257 V282 E283 D289 I290 Y293	G255-A285 CarbonylContact C-O 3.6Å; G255-A285 VanDerWaalsContact C-O 3.29Å; G255-A285 WeakPolarHBondContact CA-O 3.38Å; T256-A285 PolarHBondContact N-O 2.87Å; E257-A285 CarbonylContact C-O 3.42Å; E257-A285 WeakPolarHBondContact CA-O 3.36Å; E257-A285 PolarHBondContact N-O 3.44Å; V282-A285 HydrophobicContact CB-CB 3.71Å; V282-A285 HydrophobicContact CG1-CB 3.42Å; V282-A285 VanDerWaalsContact CG1-CB 3.42Å; V282-A285 PolarHBondContact O-N 2.79Å; E283-A285 PolarHBondContact O-N 2.95Å; A285-D289 WeakPolarHBondContact CA-OD1 3.39Å; A285-D289 WeakPolarHBondContact CB-OD1 3.43Å; A285-I290 HydrophobicContact CB-CG1 3.79Å; A285-Y293 HydrophobicContact CB-CD2 3.95Å; A285-Y293 HydrophobicContact CB-CE2 3.46Å; A285-Y293 VanDerWaalsContact CB-CE2 3.46Å
286	G	94.9	Very high	97.1	Very high	15 Å²	15	51.3 Å²	51.3	16%	0.155	28%	0.275	C	S	.	.			trans	-92.9	-160.6	168.9	0	0	0	0	0	112.9	E257 N288 D289 I290	E257-G286 WeakPolarHBondContact O-CA 3.33Å; G286-N288 PolarHBondContact O-N 3.1Å; G286-D289 WeakPolarHBondContact CA-OD1 3.39Å; G286-D289 PolarHBondContact N-OD1 3.08Å; G286-I290 WeakPolarHBondContact O-CG1 3.29Å
287	H	95	Very high	97.1	Very high	18 Å²	18	51.9 Å²	51.9	8%	0.083	27%	0.273	C	S	.	.	S	Bend	trans	-70.4	-31.6	-174.4	-161.2	66.4	0	0	0	114.8	S193 D258 V260 I261	S193-H287 VanDerWaalsContact CB-NE2 3.28Å; S193-H287 WeakPolarHBondContact CB-NE2 3.15Å; S193-H287 PolarHBondContact OG-CE1 3.4Å; S193-H287 PolarHBondContact OG-NE2 3.24Å; D258-H287 VanDerWaalsContact CG-ND1 3.27Å; D258-H287 VanDerWaalsContact OD1-CB 3.23Å; D258-H287 WeakPolarHBondContact OD1-CB 3.5Å; D258-H287 IonicContact OD1-CG 3.46Å; D258-H287 IonicContact OD1-ND1 3.45Å; D258-H287 PolarHBondContact OD1-ND1 3.34Å; D258-H287 IonicContact OD2-CE1 2.74Å; D258-H287 IonicContact OD2-CG 3.04Å; D258-H287 IonicContact OD2-ND1 3.64Å; D258-H287 PolarHBondContact OD2-ND1 3.05Å; V260-H287 HydrophobicContact CB-CB 3.81Å; V260-H287 HydrophobicContact CG2-CB 3.64Å; I261-H287 VanDerWaalsContact CG1-CE1 3.41Å; I261-H287 WeakPolarHBondContact CG1-CE1 3.49Å
288	N	92.1	Very high	97.1	Very high	128 Å²	128	56.5 Å²	56.5	68%	0.684	29%	0.293	S	S	*	.	S	Bend	trans	-120.1	9	-163.9	-60.8	-53.9	0	0	0	113.5	G286	G286-N288 PolarHBondContact O-N 3.1Å
289	D	94.9	Very high	97.1	Very high	48 Å²	48	51.3 Å²	51.3	26%	0.257	27%	0.267	S	S	.	.			trans	-125.9	-1.3	-175.6	68.3	-7.7	0	0	0	113.7	A285 G286 E291 L292 Y293	A285-D289 WeakPolarHBondContact CA-OD1 3.39Å; A285-D289 WeakPolarHBondContact CB-OD1 3.43Å; G286-D289 WeakPolarHBondContact CA-OD1 3.39Å; G286-D289 PolarHBondContact N-OD1 3.08Å; D289-E291 PolarHBondContact O-N 2.76Å; D289-L292 HydrophobicContact CB-CD1 4Å; D289-L292 HydrophobicContact CB-CG 4.42Å; D289-L292 WeakPolarHBondContact O-CB 3.34Å; D289-L292 WeakPolarHBondContact O-CG 3.46Å; D289-L292 PolarHBondContact O-N 3.13Å; D289-Y293 HydrophobicContact CB-CE2 4.47Å; D289-Y293 WeakPolarHBondContact O-CD2 3.21Å; D289-Y293 WeakPolarHBondContact O-CE2 3.2Å
290	I	97.1	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-51.8	-41.7	179.2	-72.6	162.9	0	0	0	111.5	H214 S215 I253 G255 V282 A285 G286 L292 Y293 Y296	H214-I290 WeakPolarHBondContact NE2-CB 3.23Å; H214-I290 WeakPolarHBondContact NE2-CD1 3.19Å; H214-I290 VanDerWaalsContact NE2-CG2 3.28Å; H214-I290 WeakPolarHBondContact NE2-CG2 3.5Å; S215-I290 WeakPolarHBondContact OG-CD1 3.42Å; I253-I290 HydrophobicContact CG2-CG2 3.85Å; G255-I290 VanDerWaalsContact N-CD1 3.31Å; V282-I290 HydrophobicContact CG2-CG2 3.99Å; A285-I290 HydrophobicContact CB-CG1 3.79Å; G286-I290 WeakPolarHBondContact O-CG1 3.29Å; I290-L292 PolarHBondContact O-N 3.39Å; I290-L292 VanDerWaalsContact O-N 3.16Å; I290-Y293 PolarHBondContact O-N 3.08Å; I290-Y293 VanDerWaalsContact O-N 3.07Å; I290-Y296 HydrophobicContact CG2-CD2 3.94Å; I290-Y296 HydrophobicContact CG2-CG 4.38Å
291	E	96.1	Very high	97	Very high	44 Å²	44	54.3 Å²	54.3	21%	0.206	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-67.9	-13.6	-178.6	-57.5	95.7	151.1	0	0	113.8	F133 Q192 H214 D289 Y293 Y296	F133-E291 HydrophobicContact CE2-CB 4.36Å; F133-E291 HydrophobicContact CE2-CG 3.92Å; F133-E291 HydrophobicContact CZ-CG 4.23Å; Q192-E291 PolarHBondContact NE2-OE1 3.4Å; H214-E291 VanDerWaalsContact CE1-CD 3.44Å; H214-E291 IonicContact CE1-OE1 3.7Å; H214-E291 PolarHBondContact CE1-OE1 3.11Å; H214-E291 IonicContact CE1-OE2 2.81Å; H214-E291 IonicContact ND1-OE1 2.73Å; D289-E291 PolarHBondContact O-N 2.76Å; E291-Y293 VanDerWaalsContact C-N 3.33Å; E291-Y296 HydrophobicContact CB-CD1 4.02Å; E291-Y296 HydrophobicContact CB-CE1 3.96Å; E291-Y296 HydrophobicContact CG-CD1 4.07Å; E291-Y296 HydrophobicContact CG-CE1 3.63Å; E291-Y296 HydrophobicContact CG-CE2 4.29Å
292	L	95.8	Very high	97	Very high	149 Å²	149	55.2 Å²	55.2	78%	0.78	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-79.2	-18.1	174.7	-52.3	-176.8	0	0	0	112.2	D289 I290	D289-L292 HydrophobicContact CB-CD1 4Å; D289-L292 HydrophobicContact CB-CG 4.42Å; D289-L292 WeakPolarHBondContact O-CB 3.34Å; D289-L292 WeakPolarHBondContact O-CG 3.46Å; D289-L292 PolarHBondContact O-N 3.13Å; I290-L292 PolarHBondContact O-N 3.39Å; I290-L292 VanDerWaalsContact O-N 3.16Å
293	Y	97.9	Very high	97	Very high	75 Å²	75	55.2 Å²	55.2	29%	0.294	29%	0.286	S	S	.	.	S	Bend	trans	-85.7	131.4	179.7	-65.6	-104.5	0	0	0	110.7	V282 G284 A285 D289 I290 E291 Q295 Y296	V282-Y293 HydrophobicContact CG1-CD1 3.77Å; V282-Y293 HydrophobicContact CG1-CD2 3.85Å; V282-Y293 HydrophobicContact CG1-CE1 4.27Å; V282-Y293 HydrophobicContact CG1-CE2 4.36Å; V282-Y293 HydrophobicContact CG1-CG 3.55Å; G284-Y293 PolarHBondContact O-OH 3.05Å; A285-Y293 HydrophobicContact CB-CD2 3.95Å; A285-Y293 HydrophobicContact CB-CE2 3.46Å; A285-Y293 VanDerWaalsContact CB-CE2 3.46Å; D289-Y293 HydrophobicContact CB-CE2 4.47Å; D289-Y293 WeakPolarHBondContact O-CD2 3.21Å; D289-Y293 WeakPolarHBondContact O-CE2 3.2Å; I290-Y293 PolarHBondContact O-N 3.08Å; I290-Y293 VanDerWaalsContact O-N 3.07Å; E291-Y293 VanDerWaalsContact C-N 3.33Å; Y293-Q295 PolarHBondContact O-N 3.31Å; Y293-Q295 VanDerWaalsContact O-N 3.15Å; Y293-Y296 VanDerWaalsContact O-CB 3.28Å; Y293-Y296 WeakPolarHBondContact O-CB 3.46Å; Y293-Y296 PolarHBondContact O-N 3Å
294	A	96.8	Very high	96.9	Very high	68 Å²	68	48.9 Å²	48.9	56%	0.562	26%	0.256	S	S	*	.	H	α-helix	trans	-56.7	-35.9	-177.4	0	0	0	0	0	113.3	Y296 L297 E298	A294-Y296 PolarHBondContact O-N 3.1Å; A294-Y296 VanDerWaalsContact O-N 3.14Å; A294-L297 PolarHBondContact O-N 2.88Å; A294-L297 VanDerWaalsContact O-N 3.15Å; A294-E298 WeakPolarHBondContact O-CG 3.38Å; A294-E298 PolarHBondContact O-N 3.19Å; A294-E298 VanDerWaalsContact O-N 3.15Å
295	Q	97.7	Very high	96.6	Very high	68 Å²	68	49.8 Å²	49.8	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-57.9	-26.5	178.7	63.9	-169.4	68.4	0	0	113.9	L280 W281 V282 Y293 E298 R299	L280-Q295 HydrophobicContact CD1-CB 4.23Å; L280-Q295 HydrophobicContact CD1-CG 4.1Å; L280-Q295 HydrophobicContact CD2-CG 4.49Å; W281-Q295 PolarHBondContact O-NE2 2.96Å; V282-Q295 VanDerWaalsContact CA-NE2 3.34Å; V282-Q295 HydrophobicContact CG1-CG 4.19Å; V282-Q295 HydrophobicContact CG2-CG 4.25Å; Y293-Q295 PolarHBondContact O-N 3.31Å; Y293-Q295 VanDerWaalsContact O-N 3.15Å; Q295-E298 PolarHBondContact O-N 3.47Å; Q295-R299 WeakPolarHBondContact O-CB 3.37Å; Q295-R299 PolarHBondContact O-N 3.38Å
296	Y	98.4	Very high	96.3	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-54.1	174.6	169.6	-109.6	0	0	0	111.2	L137 Y190 I253 I290 E291 Y293 A294 L300	L137-Y296 HydrophobicContact CD1-CE1 4.23Å; Y190-Y296 WeakPolarHBondContact OH-CE2 3.13Å; Y190-Y296 PolarHBondContact OH-OH 2.88Å; I253-Y296 HydrophobicContact CD1-CD2 4.12Å; I253-Y296 HydrophobicContact CD1-CE2 3.98Å; I253-Y296 HydrophobicContact CG2-CD2 4.37Å; I290-Y296 HydrophobicContact CG2-CD2 3.94Å; I290-Y296 HydrophobicContact CG2-CG 4.38Å; E291-Y296 HydrophobicContact CB-CD1 4.02Å; E291-Y296 HydrophobicContact CB-CE1 3.96Å; E291-Y296 HydrophobicContact CG-CD1 4.07Å; E291-Y296 HydrophobicContact CG-CE1 3.63Å; E291-Y296 HydrophobicContact CG-CE2 4.29Å; Y293-Y296 VanDerWaalsContact O-CB 3.28Å; Y293-Y296 WeakPolarHBondContact O-CB 3.46Å; Y293-Y296 PolarHBondContact O-N 3Å; A294-Y296 PolarHBondContact O-N 3.1Å; A294-Y296 VanDerWaalsContact O-N 3.14Å; Y296-L300 HydrophobicContact CD1-CD1 4.32Å; Y296-L300 HydrophobicContact CD2-CD1 4.15Å; Y296-L300 HydrophobicContact CE1-CD1 3.79Å; Y296-L300 HydrophobicContact CE2-CD1 3.59Å; Y296-L300 HydrophobicContact CE2-CG 4.27Å; Y296-L300 HydrophobicContact CG-CD1 4.49Å; Y296-L300 VanDerWaalsContact O-CG 3.32Å; Y296-L300 WeakPolarHBondContact O-CG 3.46Å; Y296-L300 PolarHBondContact O-N 3.47Å; Y296-L300 VanDerWaalsContact O-N 3.14Å
297	L	98	Very high	96.3	Very high	44 Å²	44	58.6 Å²	58.6	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-69.1	-36	179.4	-74	178.2	0	0	0	112.3	L137 R140 I141 A294 K301	L137-L297 HydrophobicContact CD1-CD2 3.97Å; R140-L297 HydrophobicContact CB-CD2 4.42Å; I141-L297 HydrophobicContact CG2-CD2 4.48Å; A294-L297 PolarHBondContact O-N 2.88Å; A294-L297 VanDerWaalsContact O-N 3.15Å; L297-K301 WeakPolarHBondContact O-CB 3.41Å; L297-K301 VanDerWaalsContact O-CG 3.29Å; L297-K301 WeakPolarHBondContact O-CG 3.35Å; L297-K301 PolarHBondContact O-N 3.38Å
298	E	98.2	Very high	96.1	Very high	128 Å²	128	58 Å²	58	60%	0.598	29%	0.293	S	S	*	.	H	α-helix	trans	-63.5	-48.1	178.1	-69.3	172.5	179.1	0	0	111.5	A294 Q295 L300 K301 Q302	A294-E298 WeakPolarHBondContact O-CG 3.38Å; A294-E298 PolarHBondContact O-N 3.19Å; A294-E298 VanDerWaalsContact O-N 3.15Å; Q295-E298 PolarHBondContact O-N 3.47Å; E298-L300 PolarHBondContact O-N 3.41Å; E298-K301 PolarHBondContact O-N 3.05Å; E298-Q302 WeakPolarHBondContact O-CB 3.43Å; E298-Q302 PolarHBondContact O-N 3.11Å
299	R	98.4	Very high	95	Very high	24 Å²	24	56 Å²	56	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-44.9	177.3	-179.4	75.4	-167.9	90.8	-7.6	111.6	L251 E278 L280 Q295 K301 Q302 F303 E307	L251-R299 HydrophobicContact CD1-CG 4.07Å; L251-R299 HydrophobicContact CD2-CG 3.97Å; E278-R299 VanDerWaalsContact O-CZ 3.22Å; E278-R299 PolarHBondContact O-NE 3.06Å; E278-R299 PolarHBondContact O-NH2 3.45Å; L280-R299 HydrophobicContact CB-CB 4.27Å; L280-R299 HydrophobicContact CB-CG 3.86Å; L280-R299 HydrophobicContact CD1-CB 4.4Å; L280-R299 HydrophobicContact CD2-CB 3.75Å; L280-R299 HydrophobicContact CD2-CG 4.23Å; L280-R299 HydrophobicContact CG-CB 4.37Å; L280-R299 HydrophobicContact CG-CG 4.49Å; Q295-R299 WeakPolarHBondContact O-CB 3.37Å; Q295-R299 PolarHBondContact O-N 3.38Å; R299-K301 VanDerWaalsContact C-N 3.35Å; R299-K301 PolarHBondContact O-N 3.01Å; R299-Q302 WeakPolarHBondContact O-CB 3.35Å; R299-Q302 PolarHBondContact O-N 3.09Å; R299-F303 WeakPolarHBondContact O-CB 3.08Å; R299-F303 PolarHBondContact O-N 3.24Å; R299-E307 IonicContact CZ-OE1 3.82Å; R299-E307 IonicContact CZ-OE2 3.63Å; R299-E307 IonicContact NH1-OE1 2.64Å; R299-E307 PolarHBondContact NH1-OE1 3.39Å; R299-E307 IonicContact NH1-OE2 3.68Å; R299-E307 IonicContact NH2-OE1 3.61Å; R299-E307 PolarHBondContact NH2-OE1 3.1Å; R299-E307 IonicContact NH2-OE2 2.7Å; R299-E307 PolarHBondContact NH2-OE2 3.34Å
300	L	98.4	Very high	93.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-44.7	179.7	-75.1	178.5	0	0	0	111.6	L137 I141 Y190 I212 L251 I253 Y296 E298 Q302 F303 I304	L137-L300 HydrophobicContact CD1-CD1 3.89Å; I141-L300 HydrophobicContact CG2-CB 4.02Å; Y190-L300 HydrophobicContact CE2-CD2 4.24Å; I212-L300 HydrophobicContact CD1-CD2 3.75Å; I212-L300 HydrophobicContact CG2-CD2 4.23Å; L251-L300 HydrophobicContact CD2-CD2 4.1Å; I253-L300 HydrophobicContact CD1-CD2 3.87Å; I253-L300 HydrophobicContact CD1-CG 4.32Å; Y296-L300 HydrophobicContact CD1-CD1 4.32Å; Y296-L300 HydrophobicContact CD2-CD1 4.15Å; Y296-L300 HydrophobicContact CE1-CD1 3.79Å; Y296-L300 HydrophobicContact CE2-CD1 3.59Å; Y296-L300 HydrophobicContact CE2-CG 4.27Å; Y296-L300 HydrophobicContact CG-CD1 4.49Å; Y296-L300 VanDerWaalsContact O-CG 3.32Å; Y296-L300 WeakPolarHBondContact O-CG 3.46Å; Y296-L300 PolarHBondContact O-N 3.47Å; Y296-L300 VanDerWaalsContact O-N 3.14Å; E298-L300 PolarHBondContact O-N 3.41Å; L300-Q302 VanDerWaalsContact C-N 3.34Å; L300-Q302 PolarHBondContact O-N 3.08Å; L300-F303 PolarHBondContact O-N 2.9Å; L300-I304 WeakPolarHBondContact O-CB 3.3Å; L300-I304 VanDerWaalsContact O-CG1 3.28Å; L300-I304 WeakPolarHBondContact O-CG1 3.44Å; L300-I304 PolarHBondContact O-N 3.26Å
301	K	97.2	Very high	91.2	Very high	94 Å²	94	64.7 Å²	64.7	41%	0.409	34%	0.341	S	S	.	.	H	α-helix	trans	-59.9	-45.9	175	-76.5	173.2	174.7	177.3	0	111.6	R140 I141 L297 E298 R299 S305	R140-K301 WeakPolarHBondContact O-CE 3.27Å; I141-K301 HydrophobicContact CG2-CG 4.19Å; L297-K301 WeakPolarHBondContact O-CB 3.41Å; L297-K301 VanDerWaalsContact O-CG 3.29Å; L297-K301 WeakPolarHBondContact O-CG 3.35Å; L297-K301 PolarHBondContact O-N 3.38Å; E298-K301 PolarHBondContact O-N 3.05Å; R299-K301 VanDerWaalsContact C-N 3.35Å; R299-K301 PolarHBondContact O-N 3.01Å; K301-S305 WeakPolarHBondContact O-CA 3.34Å; K301-S305 WeakPolarHBondContact O-CB 3.01Å; K301-S305 PolarHBondContact O-N 3.23Å; K301-S305 PolarHBondContact O-OG 2.98Å
302	Q	97.6	Very high	90.9	Very high	91 Å²	91	65.7 Å²	65.7	43%	0.425	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-47.8	178	179.3	61.5	29.3	0	0	111.3	E298 R299 L300 H306 E307	E298-Q302 WeakPolarHBondContact O-CB 3.43Å; E298-Q302 PolarHBondContact O-N 3.11Å; R299-Q302 WeakPolarHBondContact O-CB 3.35Å; R299-Q302 PolarHBondContact O-N 3.09Å; L300-Q302 VanDerWaalsContact C-N 3.34Å; L300-Q302 PolarHBondContact O-N 3.08Å; Q302-H306 WeakPolarHBondContact O-CB 3.32Å; Q302-H306 PolarHBondContact O-N 2.78Å; Q302-H306 PolarHBondContact OE1-CD2 2.84Å; Q302-H306 VanDerWaalsContact OE1-CD2 3.25Å; Q302-E307 WeakPolarHBondContact CG-OE1 3.2Å; Q302-E307 PolarHBondContact O-N 3.35Å
303	F	97.9	Very high	90.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.325	C	S	.	.	I	π-helix	trans	-59.4	-54.2	179.3	-175.6	-135.2	0	0	0	111.3	A210 I212 P249 L251 V277 R299 L300 E307 L308	A210-F303 HydrophobicContact CB-CE1 3.72Å; A210-F303 HydrophobicContact CB-CZ 3.65Å; I212-F303 HydrophobicContact CD1-CD1 4.2Å; I212-F303 HydrophobicContact CD1-CE1 4.31Å; I212-F303 HydrophobicContact CG1-CD1 4Å; I212-F303 HydrophobicContact CG1-CE1 3.73Å; P249-F303 HydrophobicContact CB-CE2 4.28Å; P249-F303 HydrophobicContact CB-CZ 4.26Å; L251-F303 HydrophobicContact CB-CD1 3.82Å; L251-F303 HydrophobicContact CB-CD2 4.43Å; L251-F303 HydrophobicContact CB-CE1 3.64Å; L251-F303 HydrophobicContact CB-CE2 4.3Å; L251-F303 HydrophobicContact CB-CG 4.21Å; L251-F303 HydrophobicContact CB-CZ 3.88Å; L251-F303 HydrophobicContact CD2-CB 3.98Å; L251-F303 HydrophobicContact CD2-CD1 3.74Å; L251-F303 HydrophobicContact CD2-CE1 4.4Å; L251-F303 HydrophobicContact CD2-CG 3.94Å; L251-F303 HydrophobicContact CG-CD1 4.44Å; V277-F303 HydrophobicContact CB-CE2 4.26Å; V277-F303 HydrophobicContact CG1-CE2 3.93Å; V277-F303 HydrophobicContact CG2-CD2 3.78Å; V277-F303 HydrophobicContact CG2-CE2 3.45Å; V277-F303 VanDerWaalsContact CG2-CE2 3.45Å; V277-F303 HydrophobicContact CG2-CZ 4.16Å; R299-F303 WeakPolarHBondContact O-CB 3.08Å; R299-F303 PolarHBondContact O-N 3.24Å; L300-F303 PolarHBondContact O-N 2.9Å; F303-E307 HydrophobicContact CD2-CB 4.02Å; F303-E307 WeakPolarHBondContact CD2-OE2 3.41Å; F303-E307 WeakPolarHBondContact O-CB 3.28Å; F303-E307 PolarHBondContact O-N 3.42Å; F303-E307 VanDerWaalsContact O-N 3.15Å; F303-L308 HydrophobicContact CD2-CD2 4.4Å; F303-L308 HydrophobicContact CE1-CD2 4.48Å; F303-L308 HydrophobicContact CE2-CD2 3.87Å; F303-L308 HydrophobicContact CZ-CD2 3.94Å; F303-L308 PolarHBondContact O-N 3.25Å
304	I	96.2	Very high	90.3	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	33%	0.326	C	S	.	.	I	π-helix	trans	-71.3	-40.8	-172.3	-64.9	169.7	0	0	0	111.4	Y115 I141 I188 L300 S311	Y115-I304 HydrophobicContact CD2-CG2 3.79Å; Y115-I304 HydrophobicContact CE2-CG2 4.28Å; I141-I304 HydrophobicContact CB-CD1 4.09Å; I141-I304 HydrophobicContact CD1-CD1 3.66Å; I141-I304 HydrophobicContact CG1-CD1 4.28Å; I188-I304 HydrophobicContact CD1-CD1 4.31Å; I188-I304 HydrophobicContact CD1-CG1 3.94Å; I188-I304 HydrophobicContact CD1-CG2 4.32Å; L300-I304 WeakPolarHBondContact O-CB 3.3Å; L300-I304 VanDerWaalsContact O-CG1 3.28Å; L300-I304 WeakPolarHBondContact O-CG1 3.44Å; L300-I304 PolarHBondContact O-N 3.26Å; I304-S311 WeakPolarHBondContact O-CB 3.46Å; I304-S311 PolarHBondContact O-OG 3.26Å
305	S	92.3	Very high	89.9	Confident	43 Å²	43	60.1 Å²	60.1	30%	0.301	31%	0.313	S	S	.	.	I	π-helix	trans	-93	-13.3	-170.2	-42.3	0	0	0	0	113.9	K301 S311	K301-S305 WeakPolarHBondContact O-CA 3.34Å; K301-S305 WeakPolarHBondContact O-CB 3.01Å; K301-S305 PolarHBondContact O-N 3.23Å; K301-S305 PolarHBondContact O-OG 2.98Å; S305-S311 WeakPolarHBondContact O-CB 3.48Å
306	H	91.6	Very high	89.4	Confident	132 Å²	132	59.6 Å²	59.6	61%	0.611	31%	0.312	S	S	*	.	I	π-helix	trans	-136.2	-23.7	-174.2	-59.6	-54.5	0	0	0	114.9	Q302	Q302-H306 WeakPolarHBondContact O-CB 3.32Å; Q302-H306 PolarHBondContact O-N 2.78Å; Q302-H306 PolarHBondContact OE1-CD2 2.84Å; Q302-H306 VanDerWaalsContact OE1-CD2 3.25Å
307	E	93.8	Very high	88.8	Confident	68 Å²	68	63.4 Å²	63.4	32%	0.318	33%	0.332	S	S	.	.	I	π-helix	trans	-101.1	-20.3	-177.2	-65.5	170	-140.7	0	0	113.3	R299 Q302 F303	R299-E307 IonicContact CZ-OE1 3.82Å; R299-E307 IonicContact CZ-OE2 3.63Å; R299-E307 IonicContact NH1-OE1 2.64Å; R299-E307 PolarHBondContact NH1-OE1 3.39Å; R299-E307 IonicContact NH1-OE2 3.68Å; R299-E307 IonicContact NH2-OE1 3.61Å; R299-E307 PolarHBondContact NH2-OE1 3.1Å; R299-E307 IonicContact NH2-OE2 2.7Å; R299-E307 PolarHBondContact NH2-OE2 3.34Å; Q302-E307 WeakPolarHBondContact CG-OE1 3.2Å; Q302-E307 PolarHBondContact O-N 3.35Å; F303-E307 HydrophobicContact CD2-CB 4.02Å; F303-E307 WeakPolarHBondContact CD2-OE2 3.41Å; F303-E307 WeakPolarHBondContact O-CB 3.28Å; F303-E307 PolarHBondContact O-N 3.42Å; F303-E307 VanDerWaalsContact O-N 3.15Å
308	L	91.9	Very high	88.2	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.026	34%	0.34	C	S	.	.	S	Bend	trans	-79	144.6	176.2	-58.9	-172.8	0	0	0	111.8	Y115 I188 A210 P249 F303 N310 S311	Y115-L308 HydrophobicContact CD2-CD1 4.48Å; Y115-L308 HydrophobicContact CE1-CD1 4.22Å; Y115-L308 HydrophobicContact CE2-CB 4.42Å; Y115-L308 HydrophobicContact CE2-CD1 4.04Å; Y115-L308 WeakPolarHBondContact OH-CB 3.36Å; I188-L308 HydrophobicContact CD1-CD1 3.68Å; I188-L308 HydrophobicContact CG1-CD1 4.15Å; A210-L308 HydrophobicContact CB-CD1 3.97Å; A210-L308 HydrophobicContact CB-CD2 3.61Å; A210-L308 HydrophobicContact CB-CG 4.45Å; P249-L308 HydrophobicContact CB-CD2 4.44Å; P249-L308 HydrophobicContact CG-CD2 4.49Å; F303-L308 HydrophobicContact CD2-CD2 4.4Å; F303-L308 HydrophobicContact CE1-CD2 4.48Å; F303-L308 HydrophobicContact CE2-CD2 3.87Å; F303-L308 HydrophobicContact CZ-CD2 3.94Å; F303-L308 PolarHBondContact O-N 3.25Å; L308-N310 PolarHBondContact O-N 2.96Å; L308-N310 VanDerWaalsContact O-N 3.1Å; L308-S311 PolarHBondContact O-N 2.71Å; L308-S311 PolarHBondContact O-OG 3.4Å; L308-S311 VanDerWaalsContact O-OG 3.12Å
309	P	69.6	Low	87.4	Confident	85 Å²	85	59.9 Å²	59.9	55%	0.552	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	118.2	-176.7	-20.1	30.8	0	0	0	111.6
310	N	59.7	Low	86.5	Confident	135 Å²	135	62.9 Å²	62.9	72%	0.722	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	36	-179.6	-43.1	-67.9	0	0	0	115.1	R114 L308	R114-N310 PolarHBondContact NH1-O 2.82Å; L308-N310 PolarHBondContact O-N 2.96Å; L308-N310 VanDerWaalsContact O-N 3.1Å
311	S	51.4	Low	85.4	Confident	96 Å²	96	68.6 Å²	68.6	67%	0.671	37%	0.37	S	S	*	.			trans	-77.6	0	162.9	-56.2	0	0	0	0	113.2	I304 S305 L308	I304-S311 WeakPolarHBondContact O-CB 3.46Å; I304-S311 PolarHBondContact O-OG 3.26Å; S305-S311 WeakPolarHBondContact O-CB 3.48Å; L308-S311 PolarHBondContact O-N 2.71Å; L308-S311 PolarHBondContact O-OG 3.4Å; L308-S311 VanDerWaalsContact O-OG 3.12Å

Retrieved 311 of 311 residues in 99.2 ms (Link to these results)

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