G4VGX4_SCHMA Loading...

Putative arginine/serine-rich splicing factor

AlphaFold DB , UniProt , Accession G4VGX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 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	32.2	Very low	47.5	Very low	245 Å²	245	133.5 Å²	133.5	100%	1.207	72%	0.719	S	S	*	*				0	100	0	-76	170.1	174.5	0	0	107.8
2	N	32.7	Very low	49.5	Very low	165 Å²	165	126.8 Å²	126.8	88%	0.882	68%	0.678	S	S	*	*			trans	-162.2	90	159.3	-119.3	3.1	0	0	0	105.5	S4	N2-S4 PolarHBondContact O-N 3.17Å; N2-S4 VanDerWaalsContact O-N 3.15Å
3	T	36.2	Very low	51.9	Low	142 Å²	142	118.8 Å²	118.8	87%	0.871	64%	0.637	S	S	*	*			trans	-70.1	94	168.3	27.6	0	0	0	0	107.6	E5	T3-E5 VanDerWaalsContact C-N 3.31Å; T3-E5 PolarHBondContact O-N 3.15Å; T3-E5 VanDerWaalsContact O-N 3.17Å
4	S	39.1	Very low	54	Low	94 Å²	94	112.1 Å²	112.1	66%	0.657	60%	0.603	S	S	*	*			trans	-78.6	87.2	162.7	56.7	0	0	0	0	108	N2 Q6	N2-S4 PolarHBondContact O-N 3.17Å; N2-S4 VanDerWaalsContact O-N 3.15Å; S4-Q6 PolarHBondContact O-N 3.04Å
5	E	41.4	Very low	55.9	Low	172 Å²	172	113.7 Å²	113.7	80%	0.804	63%	0.626	S	S	*	*			trans	-63.6	88.4	153	-77.8	-179.2	159.1	0	0	106.7	T3 T7	T3-E5 VanDerWaalsContact C-N 3.31Å; T3-E5 PolarHBondContact O-N 3.15Å; T3-E5 VanDerWaalsContact O-N 3.17Å; E5-T7 PolarHBondContact O-N 3.22Å
6	Q	42.7	Very low	57.7	Low	150 Å²	150	112.6 Å²	112.6	70%	0.701	62%	0.619	S	S	*	*			trans	-67.5	86.4	161.6	-80.2	-175.8	-14.7	0	0	106.7	S4 V8	S4-Q6 PolarHBondContact O-N 3.04Å; Q6-V8 PolarHBondContact O-N 3.46Å; Q6-V8 VanDerWaalsContact O-N 3.16Å
7	T	45.2	Very low	59.1	Low	122 Å²	122	108.1 Å²	108.1	75%	0.748	60%	0.604	S	S	*	*			trans	-60.7	110.8	160.5	39	0	0	0	0	106.7	E5 D9	E5-T7 PolarHBondContact O-N 3.22Å; T7-D9 PolarHBondContact O-N 3.05Å
8	V	51.9	Low	60.5	Low	60 Å²	60	107.8 Å²	107.8	36%	0.364	60%	0.595	S	S	.	*			trans	-61.2	125.6	173.2	-172.7	0	0	0	0	106.5	Q6 R10	Q6-V8 PolarHBondContact O-N 3.46Å; Q6-V8 VanDerWaalsContact O-N 3.16Å; V8-R10 HydrophobicContact CG1-CB 4.4Å; V8-R10 CarbonylContact O-C 3.53Å; V8-R10 PolarHBondContact O-N 2.83Å
9	D	61.8	Low	61.8	Low	178 Å²	178	102.4 Å²	102.4	95%	0.952	57%	0.565	S	S	*	*	S	Bend	trans	-54.1	-6	179.3	-80.5	-36.5	0	0	0	114.6	T7	T7-D9 PolarHBondContact O-N 3.05Å
10	R	66.8	Low	62.9	Low	69 Å²	69	100.4 Å²	100.4	26%	0.26	55%	0.549	S	S	.	.	S	Bend	trans	-109.5	126.9	176	-173.7	-174.8	-80	-168.1	-6.4	109.7	V8 W20 N23 N126	V8-R10 HydrophobicContact CG1-CB 4.4Å; V8-R10 CarbonylContact O-C 3.53Å; V8-R10 PolarHBondContact O-N 2.83Å; R10-W20 HydrophobicContact CG-CD2 3.75Å; R10-W20 HydrophobicContact CG-CE3 4.15Å; R10-W20 HydrophobicContact CG-CG 4.1Å; R10-W20 HydrophobicContact CG-CH2 4.5Å; R10-W20 HydrophobicContact CG-CZ2 4.11Å; R10-N23 PolarHBondContact NH2-ND2 2.89Å; R10-N23 VanDerWaalsContact NH2-ND2 3.12Å; R10-N126 PolarHBondContact NH1-O 3.39Å
11	P	72.3	Confident	63.5	Low	71 Å²	71	97.9 Å²	97.9	46%	0.461	54%	0.537	S	S	.	.			trans	-62	170.9	173.2	22.2	-26.6	0	0	0	111.3	V13 W20	P11-V13 WeakPolarHBondContact CB-O 3.47Å; P11-V13 WeakPolarHBondContact CG-O 3.44Å; P11-W20 VanDerWaalsContact C-CD1 3.47Å; P11-W20 VanDerWaalsContact C-NE1 3.35Å; P11-W20 HydrophobicContact CG-CZ2 3.84Å; P11-W20 PolarHBondContact O-NE1 3.48Å
12	F	72	Confident	65.5	Low	53 Å²	53	87 Å²	87	23%	0.232	49%	0.487	C	S	.	.	S	Bend	trans	-88.9	-20.1	179.1	52.9	-90	0	0	0	113.9	W20 N113 Y198	F12-W20 PolarHBondContact O-N 3.26Å; F12-N113 VanDerWaalsContact CA-OD1 3.22Å; F12-N113 WeakPolarHBondContact CA-OD1 3.3Å; F12-N113 HydrophobicContact CB-CB 4.18Å; F12-N113 VanDerWaalsContact CB-N 3.34Å; F12-N113 WeakPolarHBondContact CB-OD1 3.5Å; F12-Y198 AromaticContact CE2-CD1 3.73Å; F12-Y198 HydrophobicContact CE2-CD1 3.73Å; F12-Y198 HydrophobicContact CE2-CG 4.14Å
13	V	79.9	Confident	67.1	Low	24 Å²	24	85 Å²	85	15%	0.145	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-120.7	151	165.1	-71.8	0	0	0	0	110.4	P11 K18 W20 V111 Y198	P11-V13 WeakPolarHBondContact CB-O 3.47Å; P11-V13 WeakPolarHBondContact CG-O 3.44Å; V13-K18 CarbonylContact C-O 3.55Å; V13-K18 WeakPolarHBondContact CA-O 3.22Å; V13-K18 WeakPolarHBondContact CB-O 3.49Å; V13-W20 VanDerWaalsContact C-CD1 3.43Å; V13-W20 PolarHBondContact O-NE1 2.86Å; V13-V111 HydrophobicContact CG1-CG1 4.31Å; V13-Y198 HydrophobicContact CG1-CD1 4.42Å; V13-Y198 HydrophobicContact CG1-CE1 4.22Å
14	T	82	Confident	68.6	Low	25 Å²	25	82.8 Å²	82.8	15%	0.153	46%	0.462	C	S	.	.			trans	-63.6	170.2	164.6	53.9	0	0	0	0	110.3	D16 G17 K18 W20	T14-D16 WeakPolarHBondContact CB-OD1 3.37Å; T14-D16 PolarHBondContact O-N 3.4Å; T14-D16 VanDerWaalsContact O-N 3.14Å; T14-D16 PolarHBondContact OG1-OD1 2.94Å; T14-G17 PolarHBondContact O-N 2.93Å; T14-K18 PolarHBondContact N-O 3.22Å; T14-K18 WeakPolarHBondContact OG1-CB 3.03Å; T14-K18 PolarHBondContact OG1-N 3.39Å; T14-K18 VanDerWaalsContact OG1-N 3.14Å; T14-K18 PolarHBondContact OG1-O 3.28Å; T14-W20 HydrophobicContact CG2-CD2 3.91Å; T14-W20 HydrophobicContact CG2-CE3 4.08Å; T14-W20 HydrophobicContact CG2-CG 4.46Å; T14-W20 HydrophobicContact CG2-CH2 4.23Å; T14-W20 HydrophobicContact CG2-CZ2 4.09Å; T14-W20 HydrophobicContact CG2-CZ3 4.21Å
15	S	83.1	Confident	70.2	Confident	135 Å²	135	85.3 Å²	85.3	94%	0.944	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.5	178.5	49.6	0	0	0	0	114.1
16	D	84	Confident	71.9	Confident	97 Å²	97	77.7 Å²	77.7	52%	0.519	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	7.9	174.1	65.4	-36.8	0	0	0	113.8	T14 K18	T14-D16 WeakPolarHBondContact CB-OD1 3.37Å; T14-D16 PolarHBondContact O-N 3.4Å; T14-D16 VanDerWaalsContact O-N 3.14Å; T14-D16 PolarHBondContact OG1-OD1 2.94Å; D16-K18 WeakPolarHBondContact OD2-CD 3.28Å; D16-K18 VanDerWaalsContact OD2-CE 3.28Å; D16-K18 WeakPolarHBondContact OD2-CE 3.26Å; D16-K18 IonicContact OD2-NZ 3.35Å; D16-K18 PolarHBondContact OD2-NZ 3.14Å
17	G	82.3	Confident	73.9	Confident	35 Å²	35	72.6 Å²	72.6	36%	0.361	41%	0.406	S	S	.	.	S	Bend	trans	82.7	11.3	173.8	0	0	0	0	0	115.3	T14	T14-G17 PolarHBondContact O-N 2.93Å
18	K	83.8	Confident	75.9	Confident	104 Å²	104	66.9 Å²	66.9	45%	0.452	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-84.8	148.3	176.1	-65.3	-176.9	-178.7	130.7	0	111.5	V13 T14 D16 W20	V13-K18 CarbonylContact C-O 3.55Å; V13-K18 WeakPolarHBondContact CA-O 3.22Å; V13-K18 WeakPolarHBondContact CB-O 3.49Å; T14-K18 PolarHBondContact N-O 3.22Å; T14-K18 WeakPolarHBondContact OG1-CB 3.03Å; T14-K18 PolarHBondContact OG1-N 3.39Å; T14-K18 VanDerWaalsContact OG1-N 3.14Å; T14-K18 PolarHBondContact OG1-O 3.28Å; D16-K18 WeakPolarHBondContact OD2-CD 3.28Å; D16-K18 VanDerWaalsContact OD2-CE 3.28Å; D16-K18 WeakPolarHBondContact OD2-CE 3.26Å; D16-K18 IonicContact OD2-NZ 3.35Å; D16-K18 PolarHBondContact OD2-NZ 3.14Å; K18-W20 PolarHBondContact O-N 2.69Å
19	I	84.8	Confident	77.6	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.021	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-58.7	134.4	174	-65.4	164.6	0	0	0	109.3	V111 G128 V130 H160 C178 D179	I19-V111 HydrophobicContact CG1-CG1 4.02Å; I19-G128 VanDerWaalsContact CG2-C 3.41Å; I19-G128 VanDerWaalsContact CG2-O 3.27Å; I19-G128 WeakPolarHBondContact CG2-O 3.31Å; I19-V130 HydrophobicContact CD1-CG2 3.65Å; I19-H160 WeakPolarHBondContact CB-NE2 3.41Å; I19-C178 HydrophobicContact CD1-CB 4.19Å; I19-D179 WeakPolarHBondContact CG1-OD1 3.27Å; I19-D179 PolarHBondContact N-OD1 2.84Å
20	W	83.7	Confident	78.9	Confident	63 Å²	63	68.6 Å²	68.6	24%	0.239	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-61.5	133	178.3	-85.2	92.4	0	0	0	112.1	R10 P11 F12 V13 T14 K18 Y127	R10-W20 HydrophobicContact CG-CD2 3.75Å; R10-W20 HydrophobicContact CG-CE3 4.15Å; R10-W20 HydrophobicContact CG-CG 4.1Å; R10-W20 HydrophobicContact CG-CH2 4.5Å; R10-W20 HydrophobicContact CG-CZ2 4.11Å; P11-W20 VanDerWaalsContact C-CD1 3.47Å; P11-W20 VanDerWaalsContact C-NE1 3.35Å; P11-W20 HydrophobicContact CG-CZ2 3.84Å; P11-W20 PolarHBondContact O-NE1 3.48Å; F12-W20 PolarHBondContact O-N 3.26Å; V13-W20 VanDerWaalsContact C-CD1 3.43Å; V13-W20 PolarHBondContact O-NE1 2.86Å; T14-W20 HydrophobicContact CG2-CD2 3.91Å; T14-W20 HydrophobicContact CG2-CE3 4.08Å; T14-W20 HydrophobicContact CG2-CG 4.46Å; T14-W20 HydrophobicContact CG2-CH2 4.23Å; T14-W20 HydrophobicContact CG2-CZ2 4.09Å; T14-W20 HydrophobicContact CG2-CZ3 4.21Å; K18-W20 PolarHBondContact O-N 2.69Å; W20-Y127 WeakPolarHBondContact O-CA 3.34Å; W20-Y127 WeakPolarHBondContact O-CB 3.33Å
21	P	76.9	Confident	80.1	Confident	48 Å²	48	65.5 Å²	65.5	31%	0.312	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-71.6	151.3	178.1	29.6	-37.1	0	0	0	112.5	Y165	P21-Y165 HydrophobicContact CB-CD1 4.06Å; P21-Y165 HydrophobicContact CB-CE1 3.46Å; P21-Y165 VanDerWaalsContact CB-CE1 3.46Å
22	A	72.2	Confident	81.1	Confident	17 Å²	17	64 Å²	64	14%	0.14	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-71.9	134	166.9	0	0	0	0	0	110.6	V24 Y127 Y165	A22-V24 PolarHBondContact O-N 3.1Å; A22-V24 VanDerWaalsContact O-N 3.09Å; A22-Y127 HydrophobicContact CB-CD1 3.95Å; A22-Y127 HydrophobicContact CB-CG 4.47Å; A22-Y165 HydrophobicContact CB-CD2 4.03Å; A22-Y165 HydrophobicContact CB-CE1 4.29Å; A22-Y165 HydrophobicContact CB-CE2 3.63Å; A22-Y165 HydrophobicContact CB-CG 4.47Å; A22-Y165 VanDerWaalsContact N-CE1 3.29Å; A22-Y165 VanDerWaalsContact N-CZ 3.28Å; A22-Y165 PolarHBondContact N-OH 2.94Å
23	N	67	Low	82.1	Confident	123 Å²	123	61.5 Å²	61.5	66%	0.658	33%	0.325	S	S	*	.			trans	-85.7	47.8	177.2	-76.8	3.3	0	0	0	112.1	R10	R10-N23 PolarHBondContact NH2-ND2 2.89Å; R10-N23 VanDerWaalsContact NH2-ND2 3.12Å
24	V	67.5	Low	82.8	Confident	95 Å²	95	62.8 Å²	62.8	58%	0.576	33%	0.33	S	S	*	.			trans	-123.2	129.8	-174.4	-174.9	0	0	0	0	110.7	A22 V26	A22-V24 PolarHBondContact O-N 3.1Å; A22-V24 VanDerWaalsContact O-N 3.09Å; V24-V26 PolarHBondContact O-N 3.47Å
25	F	72.2	Confident	83.3	Confident	147 Å²	147	68 Å²	68	65%	0.645	35%	0.351	S	S	*	.			trans	-68.6	119.8	170.6	175.3	-101.6	0	0	0	110.1	P27 L167	F25-P27 HydrophobicContact CE1-CB 4.33Å; F25-L167 HydrophobicContact CD2-CD1 3.84Å; F25-L167 HydrophobicContact CD2-CG 4.31Å; F25-L167 HydrophobicContact CE2-CD1 3.92Å; F25-L167 HydrophobicContact CE2-CG 4.38Å
26	V	78.7	Confident	83.9	Confident	12 Å²	12	62.6 Å²	62.6	7%	0.073	31%	0.31	C	S	.	.			trans	-112.2	112.8	179.7	-176	0	0	0	0	110.4	V24 C28 Y31 P162 S166	V24-V26 PolarHBondContact O-N 3.47Å; V26-C28 PolarHBondContact O-N 3.49Å; V26-Y31 HydrophobicContact CG1-CD2 4.43Å; V26-Y31 HydrophobicContact CG1-CE2 3.57Å; V26-P162 HydrophobicContact CB-CB 4.37Å; V26-P162 WeakPolarHBondContact CB-O 3.19Å; V26-P162 HydrophobicContact CG1-CB 3.58Å; V26-P162 HydrophobicContact CG2-CB 3.95Å; V26-P162 WeakPolarHBondContact CG2-O 3.21Å; V26-S166 PolarHBondContact O-OG 3.34Å
27	P	83.4	Confident	84.4	Confident	43 Å²	43	60.4 Å²	60.4	28%	0.279	30%	0.3	S	S	.	.			trans	-72.8	90.9	169.9	29.8	-32.5	0	0	0	109.4	F25 K29 R30	F25-P27 HydrophobicContact CE1-CB 4.33Å; P27-K29 PolarHBondContact O-N 2.83Å; P27-R30 PolarHBondContact O-N 2.78Å
28	C	88.1	Confident	85.1	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.014	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-61.6	-29.6	-174.4	67.5	0	0	0	0	112.4	V26 R30 Y31 I34 C163 S166 L170	V26-C28 PolarHBondContact O-N 3.49Å; C28-R30 PolarHBondContact O-N 3.38Å; C28-Y31 PolarHBondContact O-N 3.09Å; C28-I34 HydrophobicContact CB-CG2 4.19Å; C28-C163 HydrophobicContact CB-CB 4.49Å; C28-S166 WeakPolarHBondContact CB-OG 3.43Å; C28-S166 PolarHBondContact SG-OG 3Å; C28-L170 HydrophobicContact CB-CD1 4.28Å
29	K	87.5	Confident	85.7	Confident	160 Å²	160	63.4 Å²	63.4	70%	0.696	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-52.6	-21.4	-179.1	-65.9	-176.1	-175.8	174.9	0	114.8	P27 D168	P27-K29 PolarHBondContact O-N 2.83Å; K29-D168 WeakPolarHBondContact CE-OD2 3.41Å
30	R	88.3	Confident	86.2	Confident	113 Å²	113	67.3 Å²	67.3	43%	0.426	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-83.8	-19.5	177.6	-65.7	-173.8	174.2	168.4	-1.1	113.8	P27 C28 K223 D224	P27-R30 PolarHBondContact O-N 2.78Å; C28-R30 PolarHBondContact O-N 3.38Å; R30-K223 HydrophobicContact CB-CD 4.25Å; R30-K223 HydrophobicContact CB-CG 3.69Å; R30-K223 CarbonylContact O-C 3.53Å; R30-K223 VanDerWaalsContact O-CA 3.25Å; R30-K223 WeakPolarHBondContact O-CA 3.41Å; R30-K223 WeakPolarHBondContact O-CG 3.36Å; R30-D224 PolarHBondContact O-N 3.16Å
31	Y	92.4	Very high	86.8	Confident	5 Å²	5	64.3 Å²	64.3	2%	0.02	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-84	131.5	-178.3	-66.9	-99.2	0	0	0	109.8	V26 C28 C33 I34 H161 P162 F221 K223	V26-Y31 HydrophobicContact CG1-CD2 4.43Å; V26-Y31 HydrophobicContact CG1-CE2 3.57Å; C28-Y31 PolarHBondContact O-N 3.09Å; Y31-C33 VanDerWaalsContact C-N 3.27Å; Y31-C33 PolarHBondContact O-N 2.79Å; Y31-I34 WeakPolarHBondContact O-CG1 3.32Å; Y31-H161 AromaticContact CD1-CE1 3.6Å; Y31-H161 AromaticContact CD1-NE2 3.83Å; Y31-P162 HydrophobicContact CE1-CB 4.17Å; Y31-P162 HydrophobicContact CE1-CG 4.2Å; Y31-P162 HydrophobicContact CE2-CB 4.36Å; Y31-F221 HydrophobicContact CD1-CB 4.16Å; Y31-F221 HydrophobicContact CD1-CD1 4.28Å; Y31-F221 HydrophobicContact CE1-CB 3.82Å; Y31-F221 AromaticContact CE1-CD1 3.77Å; Y31-F221 HydrophobicContact CE1-CD1 3.77Å; Y31-F221 AromaticContact CE1-CG 3.87Å; Y31-F221 HydrophobicContact CE1-CG 3.87Å; Y31-K223 HydrophobicContact CE1-CD 4.4Å; Y31-K223 HydrophobicContact CE2-CD 4.32Å; Y31-K223 PolarHBondContact OH-NZ 2.8Å
32	Y	93.6	Very high	87.8	Confident	40 Å²	40	63.4 Å²	63.4	16%	0.157	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-70.5	-25.5	-179.2	-80.8	-99.4	0	0	0	112.7	I34 K35 I92 C222 D224 S229	Y32-I34 PolarHBondContact O-N 2.89Å; Y32-I34 VanDerWaalsContact O-N 3.16Å; Y32-K35 HydrophobicContact CD1-CD 4.23Å; Y32-K35 VanDerWaalsContact CE1-NZ 3.29Å; Y32-K35 WeakPolarHBondContact O-CB 3.44Å; Y32-K35 PolarHBondContact O-N 3.32Å; Y32-K35 VanDerWaalsContact O-N 3.11Å; Y32-I92 HydrophobicContact CD1-CG1 3.92Å; Y32-I92 HydrophobicContact CD2-CD1 4.22Å; Y32-I92 HydrophobicContact CD2-CG1 3.83Å; Y32-I92 HydrophobicContact CE1-CG1 4.06Å; Y32-I92 HydrophobicContact CE2-CD1 4.12Å; Y32-I92 HydrophobicContact CE2-CG1 3.96Å; Y32-I92 HydrophobicContact CG-CG1 3.8Å; Y32-C222 WeakPolarHBondContact CD2-O 3.45Å; Y32-C222 PolarHBondContact N-O 3.38Å; Y32-D224 HydrophobicContact CE2-CB 4.03Å; Y32-S229 VanDerWaalsContact OH-CB 3.25Å; Y32-S229 WeakPolarHBondContact OH-CB 3.25Å
33	C	93.8	Very high	88.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-61.3	-22.9	179.7	64.2	0	0	0	0	114.1	Y31 K35 Y36 V62 E74 F91 H161 Y176	Y31-C33 VanDerWaalsContact C-N 3.27Å; Y31-C33 PolarHBondContact O-N 2.79Å; C33-K35 PolarHBondContact O-N 2.79Å; C33-Y36 PolarHBondContact O-N 3.29Å; C33-V62 HydrophobicContact CB-CG1 4.35Å; C33-E74 WeakPolarHBondContact CB-OE2 3.18Å; C33-E74 PolarHBondContact SG-OE2 3.01Å; C33-F91 HydrophobicContact CB-CD1 3.79Å; C33-F91 HydrophobicContact CB-CD2 3.91Å; C33-F91 HydrophobicContact CB-CE1 3.67Å; C33-F91 HydrophobicContact CB-CE2 3.8Å; C33-F91 HydrophobicContact CB-CG 3.9Å; C33-F91 HydrophobicContact CB-CZ 3.69Å; C33-H161 VanDerWaalsContact SG-CE1 3.53Å; C33-Y176 HydrophobicContact CB-CE1 4.4Å; C33-Y176 PolarHBondContact O-OH 2.06Å
34	I	93.3	Very high	90.3	Very high	50 Å²	50	62.7 Å²	62.7	26%	0.256	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-69.7	-15.8	177.7	78.3	175.8	0	0	0	113.2	C28 Y31 Y32 Y36 L170 Y176	C28-I34 HydrophobicContact CB-CG2 4.19Å; Y31-I34 WeakPolarHBondContact O-CG1 3.32Å; Y32-I34 PolarHBondContact O-N 2.89Å; Y32-I34 VanDerWaalsContact O-N 3.16Å; I34-Y36 PolarHBondContact O-N 2.9Å; I34-L170 HydrophobicContact CB-CD2 4.46Å; I34-L170 HydrophobicContact CG2-CD2 4.41Å; I34-Y176 WeakPolarHBondContact CA-OH 3.45Å
35	K	93.2	Very high	91.7	Very high	135 Å²	135	58.2 Å²	58.2	59%	0.587	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-76.6	-7.7	179	-62.6	177.4	178.5	173.8	0	112.4	Y32 C33	Y32-K35 HydrophobicContact CD1-CD 4.23Å; Y32-K35 VanDerWaalsContact CE1-NZ 3.29Å; Y32-K35 WeakPolarHBondContact O-CB 3.44Å; Y32-K35 PolarHBondContact O-N 3.32Å; Y32-K35 VanDerWaalsContact O-N 3.11Å; C33-K35 PolarHBondContact O-N 2.79Å
36	Y	94.3	Very high	92.7	Very high	22 Å²	22	54 Å²	54	9%	0.086	26%	0.264	C	S	.	.	S	Bend	trans	-109.7	127.8	-178.6	-63.9	-104.6	0	0	0	108.5	C33 I34 K44 F89 F91 E94	C33-Y36 PolarHBondContact O-N 3.29Å; I34-Y36 PolarHBondContact O-N 2.9Å; Y36-K44 HydrophobicContact CD1-CD 4.11Å; Y36-K44 HydrophobicContact CE1-CD 3.63Å; Y36-F89 HydrophobicContact CE1-CE1 4.37Å; Y36-F91 AromaticContact CD2-CD1 3.64Å; Y36-F91 HydrophobicContact CD2-CD1 3.64Å; Y36-F91 HydrophobicContact CD2-CE1 4.27Å; Y36-F91 HydrophobicContact CE2-CB 4.15Å; Y36-F91 AromaticContact CE2-CD1 3.66Å; Y36-F91 HydrophobicContact CE2-CD1 3.66Å; Y36-F91 HydrophobicContact CE2-CG 4.41Å; Y36-F91 HydrophobicContact CG-CD1 4.26Å; Y36-F91 PolarHBondContact OH-O 3.16Å; Y36-F91 VanDerWaalsContact OH-O 3.11Å; Y36-E94 WeakPolarHBondContact OH-CG 3.47Å; Y36-E94 PolarHBondContact OH-OE1 3.23Å
37	T	95.2	Very high	93.5	Very high	50 Å²	50	60.7 Å²	60.7	31%	0.307	29%	0.294	S	S	.	.			trans	-70.6	160.3	161.3	67.6	0	0	0	0	109.4	E39 M40 L41 D172	T37-E39 PolarHBondContact O-N 3.21Å; T37-M40 HydrophobicContact CG2-SD 4.18Å; T37-M40 PolarHBondContact O-N 2.99Å; T37-M40 VanDerWaalsContact OG1-CG 3.25Å; T37-M40 WeakPolarHBondContact OG1-CG 3.47Å; T37-M40 PolarHBondContact OG1-N 2.8Å; T37-M40 VanDerWaalsContact OG1-N 3.11Å; T37-L41 PolarHBondContact O-N 3.2Å; T37-D172 WeakPolarHBondContact CA-OD2 3.39Å; T37-D172 WeakPolarHBondContact CB-OD2 3.18Å
38	K	96.5	Very high	94	Very high	41 Å²	41	63 Å²	63	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-41.3	175.5	-173.7	169.7	178.4	172.1	0	111.2	L41 V42 D59 L60 D172 M175	K38-L41 PolarHBondContact O-N 3.25Å; K38-V42 HydrophobicContact CG-CG2 4.45Å; K38-V42 WeakPolarHBondContact O-CB 3.5Å; K38-V42 VanDerWaalsContact O-CG2 3.26Å; K38-V42 WeakPolarHBondContact O-CG2 3.25Å; K38-V42 PolarHBondContact O-N 2.94Å; K38-D59 WeakPolarHBondContact CE-OD1 3.47Å; K38-D59 IonicContact NZ-OD1 3.9Å; K38-D59 PolarHBondContact NZ-OD1 2.87Å; K38-D59 IonicContact NZ-OD2 3.67Å; K38-D59 PolarHBondContact NZ-OD2 3.12Å; K38-L60 WeakPolarHBondContact CE-O 3.44Å; K38-L60 PolarHBondContact NZ-O 2.9Å; K38-D172 HydrophobicContact CB-CB 4.1Å; K38-D172 PolarHBondContact N-OD2 3.15Å; K38-D172 VanDerWaalsContact N-OD2 3.12Å; K38-M175 HydrophobicContact CB-SD 4.05Å; K38-M175 HydrophobicContact CD-CB 4.34Å; K38-M175 HydrophobicContact CG-CG 4.45Å; K38-M175 HydrophobicContact CG-SD 4.22Å
39	E	96.4	Very high	94.2	Very high	161 Å²	161	63.3 Å²	63.3	75%	0.752	30%	0.302	S	S	*	.	H	α-helix	trans	-60.5	-47.7	176.1	-175	180	-174.6	0	0	112.7	T37 L41 V42 S43	T37-E39 PolarHBondContact O-N 3.21Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 2.86Å; E39-V42 PolarHBondContact O-N 2.87Å; E39-S43 PolarHBondContact O-N 3Å
40	M	96.2	Very high	94.5	Very high	86 Å²	86	57.4 Å²	57.4	42%	0.424	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-43.3	177.2	-74.4	171.2	65.5	0	0	111.7	T37 S43 K44	T37-M40 HydrophobicContact CG2-SD 4.18Å; T37-M40 PolarHBondContact O-N 2.99Å; T37-M40 VanDerWaalsContact OG1-CG 3.25Å; T37-M40 WeakPolarHBondContact OG1-CG 3.47Å; T37-M40 PolarHBondContact OG1-N 2.8Å; T37-M40 VanDerWaalsContact OG1-N 3.11Å; M40-S43 PolarHBondContact O-N 3.33Å; M40-K44 WeakPolarHBondContact O-CG 3.27Å; M40-K44 PolarHBondContact O-N 3.45Å; M40-K44 VanDerWaalsContact O-N 3.09Å
41	L	96.4	Very high	94.7	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.1	-42.3	179.8	-173.5	57.8	0	0	0	111.5	T37 K38 E39 S43 K44 I45 L60 V62 F89 F91 M175	T37-L41 PolarHBondContact O-N 3.2Å; K38-L41 PolarHBondContact O-N 3.25Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 2.86Å; L41-S43 VanDerWaalsContact C-N 3.34Å; L41-S43 PolarHBondContact O-N 3.49Å; L41-K44 PolarHBondContact O-N 2.74Å; L41-I45 HydrophobicContact CD1-CD1 4.47Å; L41-I45 HydrophobicContact CD1-CG1 3.97Å; L41-I45 HydrophobicContact CG-CG1 4.26Å; L41-I45 WeakPolarHBondContact O-CB 3.38Å; L41-I45 VanDerWaalsContact O-CG1 3.3Å; L41-I45 WeakPolarHBondContact O-CG1 3.3Å; L41-I45 PolarHBondContact O-N 3.13Å; L41-L60 HydrophobicContact CD2-CD2 3.49Å; L41-L60 VanDerWaalsContact CD2-CD2 3.49Å; L41-L60 HydrophobicContact CG-CD2 3.84Å; L41-V62 HydrophobicContact CD2-CG2 3.39Å; L41-F89 HydrophobicContact CD1-CD1 4.09Å; L41-F89 HydrophobicContact CD1-CE1 4.01Å; L41-F89 HydrophobicContact CD1-CZ 4.42Å; L41-F91 HydrophobicContact CD1-CE1 3.91Å; L41-F91 HydrophobicContact CD1-CZ 4.47Å; L41-F91 HydrophobicContact CD2-CE1 4.02Å; L41-F91 HydrophobicContact CD2-CZ 4.2Å; L41-M175 HydrophobicContact CD2-CE 4.49Å; L41-M175 HydrophobicContact CD2-SD 3.76Å
42	V	96.9	Very high	94.7	Very high	30 Å²	30	63.9 Å²	63.9	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-46	174.7	168.7	0	0	0	0	110.8	K38 E39 K44 I45 T46 F57 L60	K38-V42 HydrophobicContact CG-CG2 4.45Å; K38-V42 WeakPolarHBondContact O-CB 3.5Å; K38-V42 VanDerWaalsContact O-CG2 3.26Å; K38-V42 WeakPolarHBondContact O-CG2 3.25Å; K38-V42 PolarHBondContact O-N 2.94Å; E39-V42 PolarHBondContact O-N 2.87Å; V42-K44 PolarHBondContact O-N 3.45Å; V42-I45 PolarHBondContact O-N 2.77Å; V42-T46 WeakPolarHBondContact O-CB 3.18Å; V42-T46 PolarHBondContact O-N 2.48Å; V42-T46 PolarHBondContact O-OG1 3.14Å; V42-F57 HydrophobicContact CB-CZ 4.35Å; V42-F57 HydrophobicContact CG1-CD1 4.38Å; V42-F57 HydrophobicContact CG1-CE1 3.84Å; V42-F57 HydrophobicContact CG1-CE2 4.3Å; V42-F57 HydrophobicContact CG1-CZ 3.8Å; V42-F57 HydrophobicContact CG2-CE1 4.16Å; V42-F57 HydrophobicContact CG2-CE2 4.33Å; V42-F57 HydrophobicContact CG2-CZ 3.57Å; V42-L60 HydrophobicContact CG2-CB 4.05Å
43	S	96.7	Very high	94.6	Very high	75 Å²	75	67.9 Å²	67.9	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-57.1	-49.4	176.1	-172.2	0	0	0	0	111.6	E39 M40 L41 T46 E47	E39-S43 PolarHBondContact O-N 3Å; M40-S43 PolarHBondContact O-N 3.33Å; L41-S43 VanDerWaalsContact C-N 3.34Å; L41-S43 PolarHBondContact O-N 3.49Å; S43-T46 PolarHBondContact O-N 3.19Å; S43-E47 WeakPolarHBondContact O-CB 3.28Å; S43-E47 PolarHBondContact O-N 2.83Å
44	K	96	Very high	94.7	Very high	49 Å²	49	68.1 Å²	68.1	21%	0.213	35%	0.347	C	S	.	.	H	α-helix	trans	-64.6	-42.7	-179	-74.7	179.7	-178.9	-73.2	0	112.9	Y36 M40 L41 V42 E47 K48 F89 E94	Y36-K44 HydrophobicContact CD1-CD 4.11Å; Y36-K44 HydrophobicContact CE1-CD 3.63Å; M40-K44 WeakPolarHBondContact O-CG 3.27Å; M40-K44 PolarHBondContact O-N 3.45Å; M40-K44 VanDerWaalsContact O-N 3.09Å; L41-K44 PolarHBondContact O-N 2.74Å; V42-K44 PolarHBondContact O-N 3.45Å; K44-E47 PolarHBondContact O-N 2.86Å; K44-K48 VanDerWaalsContact O-CB 3.3Å; K44-K48 WeakPolarHBondContact O-CB 3.12Å; K44-K48 WeakPolarHBondContact O-CG 3.49Å; K44-K48 PolarHBondContact O-N 3.14Å; K44-F89 HydrophobicContact CD-CZ 4.4Å; K44-E94 WeakPolarHBondContact CE-OE1 3.21Å; K44-E94 IonicContact NZ-OE1 2.77Å; K44-E94 PolarHBondContact NZ-OE1 3.32Å; K44-E94 IonicContact NZ-OE2 3.06Å; K44-E94 PolarHBondContact NZ-OE2 3.5Å
45	I	95.6	Very high	94.7	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-70.3	-37.2	-179.9	-67.5	-62.8	0	0	0	111.3	L41 V42 C49 L50 L60 T76 C78 I87 F89	L41-I45 HydrophobicContact CD1-CD1 4.47Å; L41-I45 HydrophobicContact CD1-CG1 3.97Å; L41-I45 HydrophobicContact CG-CG1 4.26Å; L41-I45 WeakPolarHBondContact O-CB 3.38Å; L41-I45 VanDerWaalsContact O-CG1 3.3Å; L41-I45 WeakPolarHBondContact O-CG1 3.3Å; L41-I45 PolarHBondContact O-N 3.13Å; V42-I45 PolarHBondContact O-N 2.77Å; I45-C49 HydrophobicContact CG2-CB 4.36Å; I45-C49 WeakPolarHBondContact O-CA 3.38Å; I45-C49 WeakPolarHBondContact O-CB 3.41Å; I45-C49 PolarHBondContact O-N 3.45Å; I45-L50 PolarHBondContact O-N 3.47Å; I45-L60 HydrophobicContact CB-CD1 3.92Å; I45-L60 HydrophobicContact CG1-CD1 3.86Å; I45-L60 HydrophobicContact CG2-CD1 3.87Å; I45-T76 HydrophobicContact CG1-CG2 4.44Å; I45-C78 HydrophobicContact CG2-CB 4.43Å; I45-I87 HydrophobicContact CD1-CD1 4.2Å; I45-I87 HydrophobicContact CD1-CG2 4.12Å; I45-I87 HydrophobicContact CG2-CD1 3.52Å; I45-F89 HydrophobicContact CD1-CB 4.31Å; I45-F89 HydrophobicContact CD1-CD2 3.54Å; I45-F89 HydrophobicContact CD1-CE2 4.1Å; I45-F89 HydrophobicContact CD1-CG 4.06Å
46	T	95.1	Very high	94.8	Very high	57 Å²	57	65.7 Å²	65.7	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-63.6	-43.7	175.6	-59.2	0	0	0	0	110.8	V42 S43 L50	V42-T46 WeakPolarHBondContact O-CB 3.18Å; V42-T46 PolarHBondContact O-N 2.48Å; V42-T46 PolarHBondContact O-OG1 3.14Å; S43-T46 PolarHBondContact O-N 3.19Å; T46-L50 HydrophobicContact CG2-CD2 4.14Å; T46-L50 WeakPolarHBondContact O-CB 3.1Å
47	E	94.1	Very high	95	Very high	153 Å²	153	67.9 Å²	67.9	72%	0.715	36%	0.356	S	S	*	.	H	α-helix	trans	-69.3	-48.5	178.2	-174.9	-172	169.5	0	0	112.7	S43 K44	S43-E47 WeakPolarHBondContact O-CB 3.28Å; S43-E47 PolarHBondContact O-N 2.83Å; K44-E47 PolarHBondContact O-N 2.86Å
48	K	93.6	Very high	95	Very high	93 Å²	93	69.1 Å²	69.1	40%	0.404	36%	0.36	S	S	.	.	H	α-helix	trans	-86.7	-31.8	-169.9	-70.7	-177.4	165.1	-178.8	0	114.2	K44 E94	K44-K48 VanDerWaalsContact O-CB 3.3Å; K44-K48 WeakPolarHBondContact O-CB 3.12Å; K44-K48 WeakPolarHBondContact O-CG 3.49Å; K44-K48 PolarHBondContact O-N 3.14Å; K48-E94 PolarHBondContact NZ-O 2.92Å; K48-E94 IonicContact NZ-OE2 3.15Å; K48-E94 PolarHBondContact NZ-OE2 2.92Å; K48-E94 VanDerWaalsContact NZ-OE2 3.15Å
49	C	92.3	Very high	95.1	Very high	7 Å²	7	69.2 Å²	69.2	5%	0.047	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-29.6	-164.1	-36.8	0	0	0	0	113.4	I45 I87 C96 R100	I45-C49 HydrophobicContact CG2-CB 4.36Å; I45-C49 WeakPolarHBondContact O-CA 3.38Å; I45-C49 WeakPolarHBondContact O-CB 3.41Å; I45-C49 PolarHBondContact O-N 3.45Å; C49-I87 HydrophobicContact CB-CD1 4.36Å; C49-C96 WeakPolarHBondContact CB-SG 3.31Å; C49-C96 WeakPolarHBondContact SG-CB 3.44Å; C49-C96 CovalentContact SG-SG 2.06Å; C49-C96 PolarHBondContact SG-SG 2.64Å; C49-R100 PolarHBondContact O-NH2 2.71Å
50	L	93.5	Very high	95.2	Very high	36 Å²	36	61.5 Å²	61.5	19%	0.188	33%	0.326	C	S	.	.			trans	-80.5	131.7	-179.3	-164.8	70	0	0	0	111.3	I45 T46 D54 F57 T80 M85	I45-L50 PolarHBondContact O-N 3.47Å; T46-L50 HydrophobicContact CG2-CD2 4.14Å; T46-L50 WeakPolarHBondContact O-CB 3.1Å; L50-D54 HydrophobicContact CD1-CB 3.52Å; L50-D54 HydrophobicContact CG-CB 4.27Å; L50-F57 HydrophobicContact CD2-CB 4.4Å; L50-T80 HydrophobicContact CD1-CG2 3.7Å; L50-M85 HydrophobicContact CD1-SD 3.78Å
51	K	93.5	Very high	95.3	Very high	125 Å²	125	57.5 Å²	57.5	54%	0.543	31%	0.306	S	S	.	.			trans	-104.6	155.8	176.9	-63.8	175.8	-177.2	-176.3	0	110.4	D53 D54	K51-D53 PolarHBondContact O-N 3.41Å; K51-D53 VanDerWaalsContact O-N 3.09Å; K51-D54 WeakPolarHBondContact CB-OD2 3.27Å; K51-D54 PolarHBondContact N-OD2 2.82Å; K51-D54 WeakPolarHBondContact O-CB 3.24Å; K51-D54 PolarHBondContact O-N 3.02Å
52	P	91.4	Very high	95.3	Very high	130 Å²	130	57.5 Å²	57.5	84%	0.844	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-52.8	-33.9	176.7	-28	35.6	0	0	0	114.2	D54	P52-D54 VanDerWaalsContact C-N 3.34Å; P52-D54 PolarHBondContact O-N 3.5Å
53	D	93.5	Very high	95.3	Very high	124 Å²	124	56 Å²	56	66%	0.663	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-79.4	-13.6	-178.9	-64.7	-30.5	0	0	0	114.3	K51 G55 K82	K51-D53 PolarHBondContact O-N 3.41Å; K51-D53 VanDerWaalsContact O-N 3.09Å; D53-G55 PolarHBondContact O-N 3.45Å; D53-G55 VanDerWaalsContact O-N 3.16Å; D53-K82 PolarHBondContact O-NZ 3.46Å
54	D	94.4	Very high	95.3	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-70.1	-9.8	-177.9	-68.8	-27.9	0	0	0	112.4	L50 K51 P52 T80 Y83 R100	L50-D54 HydrophobicContact CD1-CB 3.52Å; L50-D54 HydrophobicContact CG-CB 4.27Å; K51-D54 WeakPolarHBondContact CB-OD2 3.27Å; K51-D54 PolarHBondContact N-OD2 2.82Å; K51-D54 WeakPolarHBondContact O-CB 3.24Å; K51-D54 PolarHBondContact O-N 3.02Å; P52-D54 VanDerWaalsContact C-N 3.34Å; P52-D54 PolarHBondContact O-N 3.5Å; D54-T80 VanDerWaalsContact O-CB 3.27Å; D54-T80 WeakPolarHBondContact O-CB 3.32Å; D54-T80 PolarHBondContact O-OG1 3.45Å; D54-Y83 HydrophobicContact CB-CD2 4.31Å; D54-Y83 WeakPolarHBondContact O-CD2 3.39Å; D54-R100 VanDerWaalsContact CG-NE 3.29Å; D54-R100 VanDerWaalsContact OD1-CD 3.31Å; D54-R100 WeakPolarHBondContact OD1-CD 3.19Å; D54-R100 IonicContact OD1-CZ 2.72Å; D54-R100 IonicContact OD1-NE 4Å; D54-R100 PolarHBondContact OD1-NE 3.35Å; D54-R100 IonicContact OD1-NH2 2.95Å; D54-R100 IonicContact OD2-CZ 2.78Å; D54-R100 IonicContact OD2-NE 2.68Å; D54-R100 PolarHBondContact OD2-NE 2.83Å; D54-R100 IonicContact OD2-NH2 3.02Å; D54-R100 PolarHBondContact OD2-NH2 3.02Å
55	G	93.9	Very high	95.2	Very high	17 Å²	17	51.9 Å²	51.9	18%	0.175	27%	0.269	C	S	.	.			trans	84.6	-170.4	177.9	0	0	0	0	0	113.3	D53 D81	D53-G55 PolarHBondContact O-N 3.45Å; D53-G55 VanDerWaalsContact O-N 3.16Å; G55-D81 WeakPolarHBondContact CA-OD1 3.44Å
56	N	95.6	Very high	95	Very high	117 Å²	117	52 Å²	52	63%	0.626	27%	0.269	S	S	*	.			trans	-76	130.9	-174.7	-61.1	-62.6	0	0	0	110.7	I58 T80 D81	N56-I58 PolarHBondContact O-N 3.42Å; N56-T80 CarbonylContact O-C 3.47Å; N56-T80 WeakPolarHBondContact O-CA 3.38Å; N56-T80 VanDerWaalsContact O-CB 3.32Å; N56-T80 WeakPolarHBondContact O-CB 3.23Å; N56-D81 WeakPolarHBondContact CB-OD2 3.49Å; N56-D81 VanDerWaalsContact N-CG 3.3Å; N56-D81 PolarHBondContact N-OD1 2.94Å; N56-D81 PolarHBondContact N-OD2 3.34Å; N56-D81 PolarHBondContact ND2-OD2 3.36Å; N56-D81 PolarHBondContact O-N 3.18Å
57	F	97.1	Very high	94.7	Very high	69 Å²	69	50.2 Å²	50.2	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	132.3	171.3	176.5	-96.4	0	0	0	110.5	V42 L50 D59 L60	V42-F57 HydrophobicContact CB-CZ 4.35Å; V42-F57 HydrophobicContact CG1-CD1 4.38Å; V42-F57 HydrophobicContact CG1-CE1 3.84Å; V42-F57 HydrophobicContact CG1-CE2 4.3Å; V42-F57 HydrophobicContact CG1-CZ 3.8Å; V42-F57 HydrophobicContact CG2-CE1 4.16Å; V42-F57 HydrophobicContact CG2-CE2 4.33Å; V42-F57 HydrophobicContact CG2-CZ 3.57Å; L50-F57 HydrophobicContact CD2-CB 4.4Å; F57-D59 VanDerWaalsContact CZ-C 3.41Å; F57-D59 VanDerWaalsContact CZ-CA 3.43Å; F57-L60 HydrophobicContact CE2-CB 3.93Å; F57-L60 HydrophobicContact CZ-CB 3.85Å
58	I	97.2	Very high	94	Very high	76 Å²	76	44.1 Å²	44.1	39%	0.39	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-62.6	175.8	-63.4	-179.7	0	0	0	109.7	N56 L79 D81	N56-I58 PolarHBondContact O-N 3.42Å; I58-L79 WeakPolarHBondContact CA-O 3.31Å; I58-L79 HydrophobicContact CB-CB 4.48Å; I58-L79 HydrophobicContact CB-CD2 4.39Å; I58-L79 HydrophobicContact CB-CG 4.19Å; I58-L79 WeakPolarHBondContact CB-O 3.25Å; I58-L79 HydrophobicContact CD1-CD2 4.47Å; I58-L79 HydrophobicContact CD1-CG 4.24Å; I58-L79 HydrophobicContact CG2-CD2 4.11Å; I58-L79 HydrophobicContact CG2-CG 4.46Å; I58-L79 PolarHBondContact N-O 3.39Å; I58-D81 HydrophobicContact CD1-CB 4.28Å
59	D	97.6	Very high	93.4	Very high	42 Å²	42	41.3 Å²	41.3	23%	0.225	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	172.3	-179.7	-158.6	7	0	0	0	112.1	K38 F57 W61 L79	K38-D59 WeakPolarHBondContact CE-OD1 3.47Å; K38-D59 IonicContact NZ-OD1 3.9Å; K38-D59 PolarHBondContact NZ-OD1 2.87Å; K38-D59 IonicContact NZ-OD2 3.67Å; K38-D59 PolarHBondContact NZ-OD2 3.12Å; F57-D59 VanDerWaalsContact CZ-C 3.41Å; F57-D59 VanDerWaalsContact CZ-CA 3.43Å; D59-W61 HydrophobicContact CB-CH2 3.51Å; D59-W61 HydrophobicContact CB-CZ2 3.72Å; D59-W61 HydrophobicContact CB-CZ3 4.14Å; D59-W61 WeakPolarHBondContact OD2-CZ2 3.37Å; D59-L79 PolarHBondContact N-O 3.01Å; D59-L79 PolarHBondContact O-N 3.48Å
60	L	98	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143	-175.3	-174.5	146.8	0	0	0	112.9	K38 L41 V42 I45 F57 T76 V77 C78	K38-L60 WeakPolarHBondContact CE-O 3.44Å; K38-L60 PolarHBondContact NZ-O 2.9Å; L41-L60 HydrophobicContact CD2-CD2 3.49Å; L41-L60 VanDerWaalsContact CD2-CD2 3.49Å; L41-L60 HydrophobicContact CG-CD2 3.84Å; V42-L60 HydrophobicContact CG2-CB 4.05Å; I45-L60 HydrophobicContact CB-CD1 3.92Å; I45-L60 HydrophobicContact CG1-CD1 3.86Å; I45-L60 HydrophobicContact CG2-CD1 3.87Å; F57-L60 HydrophobicContact CE2-CB 3.93Å; F57-L60 HydrophobicContact CZ-CB 3.85Å; L60-T76 HydrophobicContact CD1-CG2 3.68Å; L60-T76 HydrophobicContact CD2-CG2 3.73Å; L60-T76 HydrophobicContact CG-CG2 3.71Å; L60-V77 CarbonylContact C-O 3.58Å; L60-V77 WeakPolarHBondContact CA-O 3.18Å; L60-C78 HydrophobicContact CD1-CB 4.09Å
61	W	98.3	Very high	92.9	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.2	176.2	-56	-92.3	0	0	0	111.6	D59 L63 T76 V77 L79 M175 A181 A184	D59-W61 HydrophobicContact CB-CH2 3.51Å; D59-W61 HydrophobicContact CB-CZ2 3.72Å; D59-W61 HydrophobicContact CB-CZ3 4.14Å; D59-W61 WeakPolarHBondContact OD2-CZ2 3.37Å; W61-L63 HydrophobicContact CB-CD1 4.23Å; W61-L63 HydrophobicContact CB-CD2 4.11Å; W61-L63 HydrophobicContact CB-CG 3.89Å; W61-T76 CarbonylContact O-C 3.6Å; W61-T76 WeakPolarHBondContact O-CA 3.34Å; W61-V77 HydrophobicContact CE3-CG1 4.48Å; W61-V77 PolarHBondContact N-O 3.04Å; W61-V77 PolarHBondContact O-N 3.41Å; W61-L79 HydrophobicContact CH2-CB 4.44Å; W61-L79 HydrophobicContact CH2-CD2 4.33Å; W61-L79 HydrophobicContact CZ3-CB 3.92Å; W61-L79 HydrophobicContact CZ3-CD2 4.48Å; W61-M175 CarbonylContact C-O 3.59Å; W61-M175 VanDerWaalsContact CA-O 3.25Å; W61-M175 WeakPolarHBondContact CA-O 3.23Å; W61-M175 WeakPolarHBondContact CB-O 3.3Å; W61-A181 HydrophobicContact CB-CB 4.3Å; W61-A181 HydrophobicContact CD2-CB 3.52Å; W61-A181 VanDerWaalsContact CE2-CA 3.46Å; W61-A181 HydrophobicContact CE3-CB 3.82Å; W61-A181 HydrophobicContact CG-CB 3.73Å; W61-A181 HydrophobicContact CZ2-CB 4.43Å; W61-A181 HydrophobicContact CZ3-CB 4.38Å; W61-A184 HydrophobicContact CH2-CB 3.39Å; W61-A184 HydrophobicContact CZ2-CB 3.68Å
62	V	97.7	Very high	92.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.4	168.5	-178.3	0	0	0	0	107	C33 L41 E74 T75 F91 H161 M175 Y176	C33-V62 HydrophobicContact CB-CG1 4.35Å; L41-V62 HydrophobicContact CD2-CG2 3.39Å; V62-E74 HydrophobicContact CG1-CG 3.94Å; V62-T75 CarbonylContact C-O 3.57Å; V62-T75 WeakPolarHBondContact CA-O 3.29Å; V62-F91 HydrophobicContact CG1-CE2 4.14Å; V62-F91 HydrophobicContact CG1-CZ 3.97Å; V62-F91 HydrophobicContact CG2-CE1 4.48Å; V62-F91 HydrophobicContact CG2-CZ 3.77Å; V62-H161 WeakPolarHBondContact O-CB 3.21Å; V62-M175 HydrophobicContact CB-CG 4.44Å; V62-M175 HydrophobicContact CG2-CE 4.05Å; V62-M175 HydrophobicContact CG2-CG 4.06Å; V62-M175 HydrophobicContact CG2-SD 3.98Å; V62-M175 PolarHBondContact N-O 3.06Å; V62-Y176 HydrophobicContact CB-CD1 3.97Å; V62-Y176 HydrophobicContact CB-CE1 3.96Å; V62-Y176 HydrophobicContact CG1-CD1 4.38Å; V62-Y176 HydrophobicContact CG1-CE1 4.26Å; V62-Y176 WeakPolarHBondContact O-CA 3.22Å
63	L	97.2	Very high	92.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	175.9	-171.5	-61.1	-178.3	0	0	0	110.6	W61 T75 V77 L158 C178 A181	W61-L63 HydrophobicContact CB-CD1 4.23Å; W61-L63 HydrophobicContact CB-CD2 4.11Å; W61-L63 HydrophobicContact CB-CG 3.89Å; L63-T75 HydrophobicContact CB-CG2 4.39Å; L63-T75 PolarHBondContact N-O 3.14Å; L63-T75 PolarHBondContact O-N 3.03Å; L63-V77 HydrophobicContact CD1-CB 4.46Å; L63-V77 HydrophobicContact CD1-CG2 4.03Å; L63-L158 HydrophobicContact CB-CD2 4.27Å; L63-L158 HydrophobicContact CD1-CB 4.48Å; L63-L158 HydrophobicContact CD1-CD1 4.19Å; L63-L158 HydrophobicContact CD1-CD2 4.42Å; L63-C178 HydrophobicContact CD2-CB 4.06Å; L63-A181 HydrophobicContact CD1-CB 3.79Å
64	T	95.2	Very high	92.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.3	167.2	-60	0	0	0	0	109.4	E72 I73 L158 H159 P162 F221	T64-E72 HydrophobicContact CG2-CB 3.68Å; T64-E72 HydrophobicContact CG2-CG 3.9Å; T64-I73 WeakPolarHBondContact CA-O 3.38Å; T64-L158 CarbonylContact O-C 3.6Å; T64-L158 VanDerWaalsContact O-CA 3.3Å; T64-L158 WeakPolarHBondContact O-CA 3.32Å; T64-H159 WeakPolarHBondContact CB-CE1 3.43Å; T64-H159 WeakPolarHBondContact CB-NE2 3.26Å; T64-H159 WeakPolarHBondContact CG2-CE1 3.27Å; T64-H159 WeakPolarHBondContact CG2-NE2 3.4Å; T64-H159 PolarHBondContact N-O 3.28Å; T64-H159 PolarHBondContact O-N 3.2Å; T64-P162 WeakPolarHBondContact OG1-CD 3.22Å; T64-F221 HydrophobicContact CG2-CE1 4.22Å; T64-F221 HydrophobicContact CG2-CZ 3.65Å; T64-F221 VanDerWaalsContact OG1-CE1 3.29Å; T64-F221 WeakPolarHBondContact OG1-CE1 3.24Å; T64-F221 WeakPolarHBondContact OG1-CZ 3.37Å
65	R	94.6	Very high	92.9	Very high	36 Å²	36	25.3 Å²	25.3	14%	0.136	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132	168.4	178.2	177.4	69.2	-177.4	-0.9	109.6	E72 I73 T75 I156 I157 L158	R65-E72 WeakPolarHBondContact O-CA 3.4Å; R65-I73 PolarHBondContact N-O 3.01Å; R65-I73 PolarHBondContact O-N 2.88Å; R65-T75 HydrophobicContact CB-CG2 3.68Å; R65-I156 HydrophobicContact CB-CD1 4.48Å; R65-I156 HydrophobicContact CG-CD1 4.01Å; R65-I156 HydrophobicContact CG-CG1 3.74Å; R65-I157 CarbonylContact C-O 3.58Å; R65-I157 VanDerWaalsContact CA-O 3.26Å; R65-I157 WeakPolarHBondContact CA-O 3.47Å; R65-L158 HydrophobicContact CB-CD2 4.3Å
66	I	91.9	Very high	93.1	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.5	163.6	-59.4	172.2	0	0	0	107.1	D70 H71 E72 L114 I157 L203	I66-D70 WeakPolarHBondContact CG2-OD1 3.41Å; I66-H71 WeakPolarHBondContact CA-O 3.26Å; I66-E72 HydrophobicContact CG1-CG 4.01Å; I66-L114 HydrophobicContact CD1-CD1 3.51Å; I66-L114 HydrophobicContact CD1-CD2 4.09Å; I66-L114 HydrophobicContact CD1-CG 4.42Å; I66-I157 HydrophobicContact CB-CB 4.09Å; I66-I157 HydrophobicContact CB-CG2 4.03Å; I66-I157 HydrophobicContact CD1-CG2 4.11Å; I66-I157 HydrophobicContact CG1-CG2 4.43Å; I66-I157 PolarHBondContact N-O 3.32Å; I66-L203 HydrophobicContact CG2-CD2 4Å
67	N	87.2	Confident	93.2	Very high	21 Å²	21	19 Å²	19	11%	0.112	9%	0.089	C	C	.	.			trans	-78.3	177.6	176.7	80.3	-5.3	0	0	0	111.1	W69 D70 H71 I73 P148	N67-W69 PolarHBondContact O-N 2.73Å; N67-W69 VanDerWaalsContact O-N 3.14Å; N67-W69 WeakPolarHBondContact OD1-CA 3Å; N67-W69 WeakPolarHBondContact OD1-CB 2.83Å; N67-W69 PolarHBondContact OD1-N 2.9Å; N67-D70 PolarHBondContact O-N 2.88Å; N67-D70 PolarHBondContact OD1-N 2.82Å; N67-H71 PolarHBondContact N-O 3.43Å; N67-H71 WeakPolarHBondContact OD1-CB 3.37Å; N67-H71 PolarHBondContact OD1-N 2.92Å; N67-I73 HydrophobicContact CB-CD1 4.35Å; N67-P148 PolarHBondContact ND2-O 3.39Å
68	H	80.3	Confident	93.2	Very high	25 Å²	25	15.7 Å²	15.7	12%	0.116	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-2.2	-179.2	67.5	-81.1	0	0	0	114.5	D144 R145 N147 S150 V153	H68-D144 PolarHBondContact NE2-O 3.09Å; H68-D144 VanDerWaalsContact NE2-O 3.15Å; H68-R145 PolarHBondContact CD2-O 3.19Å; H68-R145 PolarHBondContact NE2-O 2.78Å; H68-N147 PolarHBondContact CE1-O 2.81Å; H68-N147 PolarHBondContact NE2-O 2.8Å; H68-N147 VanDerWaalsContact NE2-O 3.09Å; H68-S150 PolarHBondContact CE1-O 2.9Å; H68-V153 HydrophobicContact CB-CG2 3.9Å
69	W	80.7	Confident	93.3	Very high	33 Å²	33	12.1 Å²	12.1	13%	0.125	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	8.5	169	-82	49.7	0	0	0	112.3	N67 H71 R145 W146 P148 I207 T211	N67-W69 PolarHBondContact O-N 2.73Å; N67-W69 VanDerWaalsContact O-N 3.14Å; N67-W69 WeakPolarHBondContact OD1-CA 3Å; N67-W69 WeakPolarHBondContact OD1-CB 2.83Å; N67-W69 PolarHBondContact OD1-N 2.9Å; W69-H71 PolarHBondContact O-N 2.86Å; W69-R145 PolarHBondContact NE1-O 2.79Å; W69-W146 HydrophobicContact CZ2-CE3 4.46Å; W69-W146 VanDerWaalsContact CZ2-O 3.24Å; W69-W146 WeakPolarHBondContact CZ2-O 3.47Å; W69-P148 HydrophobicContact CD2-CB 3.75Å; W69-P148 HydrophobicContact CE3-CB 4.07Å; W69-P148 HydrophobicContact CG-CB 4.02Å; W69-P148 HydrophobicContact CZ2-CB 4.46Å; W69-P148 HydrophobicContact CZ2-CG 4.43Å; W69-I207 HydrophobicContact CH2-CD1 3.99Å; W69-I207 HydrophobicContact CZ3-CD1 3.94Å; W69-T211 PolarHBondContact O-OG1 3.25Å
70	D	86.6	Confident	93.3	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.046	C	C	.	.			trans	63.7	22.8	-176.5	-159.3	10.8	0	0	0	114.2	I66 N67 L122 R125 T211 N215	I66-D70 WeakPolarHBondContact CG2-OD1 3.41Å; N67-D70 PolarHBondContact O-N 2.88Å; N67-D70 PolarHBondContact OD1-N 2.82Å; D70-L122 HydrophobicContact CB-CD1 4.34Å; D70-L122 VanDerWaalsContact OD2-CD1 3.25Å; D70-L122 WeakPolarHBondContact OD2-CD1 3.19Å; D70-R125 PolarHBondContact O-NH2 3.2Å; D70-R125 IonicContact OD1-CZ 3.74Å; D70-R125 IonicContact OD1-NH1 3.72Å; D70-R125 PolarHBondContact OD1-NH1 3.32Å; D70-R125 IonicContact OD1-NH2 3.04Å; D70-R125 PolarHBondContact OD1-NH2 2.81Å; D70-R125 IonicContact OD2-CZ 3.31Å; D70-R125 IonicContact OD2-NH1 2.98Å; D70-R125 PolarHBondContact OD2-NH1 3.36Å; D70-R125 IonicContact OD2-NH2 3.72Å; D70-T211 HydrophobicContact CB-CG2 4.01Å; D70-T211 VanDerWaalsContact O-CG2 3.26Å; D70-T211 WeakPolarHBondContact O-CG2 3.41Å; D70-N215 PolarHBondContact O-ND2 3.35Å
71	H	88.5	Confident	93.2	Very high	20 Å²	20	12.3 Å²	12.3	9%	0.093	6%	0.058	C	C	.	.			trans	-80.8	132.3	171.3	-66	154	0	0	0	111.2	I66 N67 W69 I73 Y214 N215	I66-H71 WeakPolarHBondContact CA-O 3.26Å; N67-H71 PolarHBondContact N-O 3.43Å; N67-H71 WeakPolarHBondContact OD1-CB 3.37Å; N67-H71 PolarHBondContact OD1-N 2.92Å; W69-H71 PolarHBondContact O-N 2.86Å; H71-I73 HydrophobicContact CB-CD1 4.32Å; H71-I73 HydrophobicContact CB-CG1 4.24Å; H71-Y214 HydrophobicContact CB-CD1 3.73Å; H71-Y214 HydrophobicContact CB-CE1 3.63Å; H71-Y214 HydrophobicContact CB-CG 4.49Å; H71-Y214 AromaticContact CD2-CD1 3.63Å; H71-Y214 AromaticContact CD2-CG 3.61Å; H71-Y214 AromaticContact CG-CD1 3.7Å; H71-Y214 AromaticContact CG-CE1 3.92Å; H71-Y214 AromaticContact CG-CG 3.97Å; H71-Y214 AromaticContact NE2-CG 3.9Å; H71-N215 WeakPolarHBondContact CA-OD1 3.25Å
72	E	91.2	Very high	93.1	Very high	27 Å²	27	17 Å²	17	13%	0.126	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.9	172.9	-76	172.4	-144.4	0	0	110.6	T64 R65 I66 R125 Y127 H159 N215 F221	T64-E72 HydrophobicContact CG2-CB 3.68Å; T64-E72 HydrophobicContact CG2-CG 3.9Å; R65-E72 WeakPolarHBondContact O-CA 3.4Å; I66-E72 HydrophobicContact CG1-CG 4.01Å; E72-R125 IonicContact OE1-CZ 2.77Å; E72-R125 IonicContact OE1-NE 2.73Å; E72-R125 PolarHBondContact OE1-NE 3.4Å; E72-R125 IonicContact OE1-NH2 3.44Å; E72-R125 PolarHBondContact OE1-NH2 3.03Å; E72-Y127 PolarHBondContact OE1-OH 3.48Å; E72-H159 IonicContact OE2-CE1 2.71Å; E72-H159 IonicContact OE2-NE2 2.83Å; E72-N215 PolarHBondContact N-OD1 2.9Å; E72-F221 HydrophobicContact CB-CE2 4.12Å; E72-F221 HydrophobicContact CB-CZ 4.32Å
73	I	92.4	Very high	93.1	Very high	30 Å²	30	19.4 Å²	19.4	15%	0.154	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.1	-172.8	-52.7	175.1	0	0	0	109.3	T64 R65 N67 H71 T75 Y214 G220	T64-I73 WeakPolarHBondContact CA-O 3.38Å; R65-I73 PolarHBondContact N-O 3.01Å; R65-I73 PolarHBondContact O-N 2.88Å; N67-I73 HydrophobicContact CB-CD1 4.35Å; H71-I73 HydrophobicContact CB-CD1 4.32Å; H71-I73 HydrophobicContact CB-CG1 4.24Å; I73-T75 PolarHBondContact O-N 3.28Å; I73-Y214 HydrophobicContact CG1-CE1 4.26Å; I73-G220 CarbonylContact C-O 3.47Å; I73-G220 WeakPolarHBondContact CA-O 3.4Å; I73-G220 WeakPolarHBondContact CG2-O 3.3Å
74	E	94.7	Very high	93.1	Very high	11 Å²	11	19.4 Å²	19.4	5%	0.051	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	127.9	171.7	-169	170.3	48.9	0	0	109.9	C33 V62 F91 H161 G220 F221 C222	C33-E74 WeakPolarHBondContact CB-OE2 3.18Å; C33-E74 PolarHBondContact SG-OE2 3.01Å; V62-E74 HydrophobicContact CG1-CG 3.94Å; E74-F91 HydrophobicContact CG-CD2 4.49Å; E74-F91 HydrophobicContact CG-CE2 4Å; E74-F91 VanDerWaalsContact OE1-CD2 3.26Å; E74-F91 WeakPolarHBondContact OE1-CD2 3.25Å; E74-H161 IonicContact OE2-CD2 3.87Å; E74-H161 IonicContact OE2-CE1 2.76Å; E74-H161 IonicContact OE2-NE2 3.98Å; E74-H161 PolarHBondContact OE2-NE2 2.84Å; E74-G220 PolarHBondContact N-O 2.81Å; E74-F221 HydrophobicContact CB-CB 4.46Å; E74-F221 HydrophobicContact CB-CD1 3.7Å; E74-F221 HydrophobicContact CB-CE1 4.31Å; E74-F221 HydrophobicContact CB-CG 4.3Å; E74-F221 HydrophobicContact CG-CD1 4.31Å; E74-C222 WeakPolarHBondContact OE1-CB 3.45Å; E74-C222 PolarHBondContact OE1-N 2.72Å
75	T	95.9	Very high	93.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.9	177.8	-165.7	0	0	0	0	110.3	V62 L63 R65 I73 V77 I87 L158	V62-T75 CarbonylContact C-O 3.57Å; V62-T75 WeakPolarHBondContact CA-O 3.29Å; L63-T75 HydrophobicContact CB-CG2 4.39Å; L63-T75 PolarHBondContact N-O 3.14Å; L63-T75 PolarHBondContact O-N 3.03Å; R65-T75 HydrophobicContact CB-CG2 3.68Å; I73-T75 PolarHBondContact O-N 3.28Å; T75-V77 HydrophobicContact CG2-CG2 4.14Å; T75-I87 PolarHBondContact OG1-O 3.18Å; T75-I87 VanDerWaalsContact OG1-O 3.11Å; T75-L158 HydrophobicContact CG2-CD2 3.72Å
76	T	97.3	Very high	93.2	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.9	169	-62.7	0	0	0	0	108.6	I45 L60 W61 I87	I45-T76 HydrophobicContact CG1-CG2 4.44Å; L60-T76 HydrophobicContact CD1-CG2 3.68Å; L60-T76 HydrophobicContact CD2-CG2 3.73Å; L60-T76 HydrophobicContact CG-CG2 3.71Å; W61-T76 CarbonylContact O-C 3.6Å; W61-T76 WeakPolarHBondContact O-CA 3.34Å; T76-I87 PolarHBondContact N-O 3.34Å; T76-I87 WeakPolarHBondContact O-CA 3.39Å; T76-I87 WeakPolarHBondContact O-CB 3.39Å; T76-I87 PolarHBondContact O-N 3.22Å
77	V	97.7	Very high	93.4	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.1	175.3	179.7	0	0	0	0	107.8	L60 W61 L63 T75 L84 M85 L158 I185	L60-V77 CarbonylContact C-O 3.58Å; L60-V77 WeakPolarHBondContact CA-O 3.18Å; W61-V77 HydrophobicContact CE3-CG1 4.48Å; W61-V77 PolarHBondContact N-O 3.04Å; W61-V77 PolarHBondContact O-N 3.41Å; L63-V77 HydrophobicContact CD1-CB 4.46Å; L63-V77 HydrophobicContact CD1-CG2 4.03Å; T75-V77 HydrophobicContact CG2-CG2 4.14Å; V77-L84 HydrophobicContact CG1-CD1 3.56Å; V77-M85 WeakPolarHBondContact CA-O 3.27Å; V77-L158 HydrophobicContact CG2-CD1 3.95Å; V77-L158 HydrophobicContact CG2-CD2 3.98Å; V77-I185 HydrophobicContact CG1-CD1 4.38Å
78	C	97.9	Very high	93.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.9	176.1	174.4	0	0	0	0	108.8	I45 L60 M85 I87	I45-C78 HydrophobicContact CG2-CB 4.43Å; L60-C78 HydrophobicContact CD1-CB 4.09Å; C78-M85 HydrophobicContact CB-CB 4.07Å; C78-M85 PolarHBondContact N-O 3.16Å; C78-M85 WeakPolarHBondContact O-CB 3.48Å; C78-M85 PolarHBondContact O-N 3.31Å; C78-I87 HydrophobicContact CB-CD1 3.84Å
79	L	98.2	Very high	94.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.1	179.2	-179.2	64.1	0	0	0	109.5	I58 D59 W61 L84 L103 A184 I185	I58-L79 WeakPolarHBondContact CA-O 3.31Å; I58-L79 HydrophobicContact CB-CB 4.48Å; I58-L79 HydrophobicContact CB-CD2 4.39Å; I58-L79 HydrophobicContact CB-CG 4.19Å; I58-L79 WeakPolarHBondContact CB-O 3.25Å; I58-L79 HydrophobicContact CD1-CD2 4.47Å; I58-L79 HydrophobicContact CD1-CG 4.24Å; I58-L79 HydrophobicContact CG2-CD2 4.11Å; I58-L79 HydrophobicContact CG2-CG 4.46Å; I58-L79 PolarHBondContact N-O 3.39Å; D59-L79 PolarHBondContact N-O 3.01Å; D59-L79 PolarHBondContact O-N 3.48Å; W61-L79 HydrophobicContact CH2-CB 4.44Å; W61-L79 HydrophobicContact CH2-CD2 4.33Å; W61-L79 HydrophobicContact CZ3-CB 3.92Å; W61-L79 HydrophobicContact CZ3-CD2 4.48Å; L79-L84 HydrophobicContact CD1-CD1 4.33Å; L79-L103 HydrophobicContact CD1-CD1 4.37Å; L79-L103 HydrophobicContact CD1-CD2 3.95Å; L79-A184 HydrophobicContact CD2-CB 4.04Å; L79-I185 HydrophobicContact CD1-CG1 4.34Å; L79-I185 HydrophobicContact CD2-CG1 4.15Å
80	T	97.7	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	174.2	168.4	78.6	0	0	0	0	109.9	L50 D54 N56 K82 Y83 M85 L103	L50-T80 HydrophobicContact CD1-CG2 3.7Å; D54-T80 VanDerWaalsContact O-CB 3.27Å; D54-T80 WeakPolarHBondContact O-CB 3.32Å; D54-T80 PolarHBondContact O-OG1 3.45Å; N56-T80 CarbonylContact O-C 3.47Å; N56-T80 WeakPolarHBondContact O-CA 3.38Å; N56-T80 VanDerWaalsContact O-CB 3.32Å; N56-T80 WeakPolarHBondContact O-CB 3.23Å; T80-K82 PolarHBondContact O-N 2.98Å; T80-K82 PolarHBondContact OG1-N 3.38Å; T80-Y83 PolarHBondContact N-O 2.95Å; T80-Y83 PolarHBondContact OG1-N 3.38Å; T80-Y83 PolarHBondContact OG1-O 2.97Å; T80-M85 HydrophobicContact CG2-SD 4.26Å; T80-L103 WeakPolarHBondContact O-CD1 3.46Å
81	D	95.9	Very high	95.3	Very high	47 Å²	47	18.4 Å²	18.4	25%	0.251	9%	0.09	S	C	.	.	S	Bend	trans	-67	-14.9	174.7	63.6	3.2	0	0	0	114.3	G55 N56 I58 K191	G55-D81 WeakPolarHBondContact CA-OD1 3.44Å; N56-D81 WeakPolarHBondContact CB-OD2 3.49Å; N56-D81 VanDerWaalsContact N-CG 3.3Å; N56-D81 PolarHBondContact N-OD1 2.94Å; N56-D81 PolarHBondContact N-OD2 3.34Å; N56-D81 PolarHBondContact ND2-OD2 3.36Å; N56-D81 PolarHBondContact O-N 3.18Å; I58-D81 HydrophobicContact CD1-CB 4.28Å; D81-K191 PolarHBondContact O-NZ 3.37Å
82	K	96.8	Very high	95.5	Very high	98 Å²	98	20.4 Å²	20.4	43%	0.426	10%	0.101	S	C	.	.	S	Bend	trans	-115.6	-33.1	-180	-70.6	175.4	-175.4	175.9	0	114.4	D53 T80 L103	D53-K82 PolarHBondContact O-NZ 3.46Å; T80-K82 PolarHBondContact O-N 2.98Å; T80-K82 PolarHBondContact OG1-N 3.38Å; K82-L103 WeakPolarHBondContact O-CG 3.24Å; K82-L103 PolarHBondContact O-N 3.06Å
83	Y	97.4	Very high	95.5	Very high	51 Å²	51	23 Å²	23	20%	0.2	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.1	-170.3	-64.9	-89.6	0	0	0	112.6	D54 T80 R100 V101 L102	D54-Y83 HydrophobicContact CB-CD2 4.31Å; D54-Y83 WeakPolarHBondContact O-CD2 3.39Å; T80-Y83 PolarHBondContact N-O 2.95Å; T80-Y83 PolarHBondContact OG1-N 3.38Å; T80-Y83 PolarHBondContact OG1-O 2.97Å; Y83-R100 HydrophobicContact CD1-CB 3.77Å; Y83-R100 HydrophobicContact CD1-CG 4.47Å; Y83-R100 HydrophobicContact CE1-CB 4.17Å; Y83-R100 HydrophobicContact CG-CB 4.46Å; Y83-V101 CarbonylContact C-O 3.5Å; Y83-V101 VanDerWaalsContact CA-O 3.29Å; Y83-V101 WeakPolarHBondContact CA-O 3.33Å; Y83-L102 HydrophobicContact CD1-CD2 3.99Å; Y83-L102 HydrophobicContact CD1-CG 4.01Å; Y83-L102 HydrophobicContact CE1-CB 4.41Å; Y83-L102 HydrophobicContact CE1-CD2 3.38Å; Y83-L102 HydrophobicContact CE1-CG 3.46Å; Y83-L102 VanDerWaalsContact CE1-CG 3.46Å; Y83-L102 HydrophobicContact CE2-CD2 4.23Å
84	L	97.5	Very high	95.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116	155.5	-179.3	65.8	0	0	0	107.6	V77 L79 V101 L103 I106 I132 I185	V77-L84 HydrophobicContact CG1-CD1 3.56Å; L79-L84 HydrophobicContact CD1-CD1 4.33Å; L84-V101 HydrophobicContact CB-CB 4.46Å; L84-V101 PolarHBondContact N-O 2.88Å; L84-V101 PolarHBondContact O-N 2.84Å; L84-L103 HydrophobicContact CB-CD2 3.95Å; L84-I106 HydrophobicContact CB-CD1 4.15Å; L84-I106 HydrophobicContact CD2-CD1 3.99Å; L84-I132 HydrophobicContact CD2-CD1 3.77Å; L84-I132 HydrophobicContact CD2-CG2 4.41Å; L84-I185 HydrophobicContact CD1-CD1 3.8Å; L84-I185 HydrophobicContact CD1-CG1 4.07Å
85	M	96.3	Very high	95.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.1	179.6	-57.9	-179.2	68.3	0	0	110.1	L50 V77 C78 T80 I87 K99 R100	L50-M85 HydrophobicContact CD1-SD 3.78Å; V77-M85 WeakPolarHBondContact CA-O 3.27Å; C78-M85 HydrophobicContact CB-CB 4.07Å; C78-M85 PolarHBondContact N-O 3.16Å; C78-M85 WeakPolarHBondContact O-CB 3.48Å; C78-M85 PolarHBondContact O-N 3.31Å; T80-M85 HydrophobicContact CG2-SD 4.26Å; M85-I87 HydrophobicContact CB-CD1 4.33Å; M85-I87 HydrophobicContact CB-CG1 4.16Å; M85-I87 HydrophobicContact CE-CD1 4.45Å; M85-K99 WeakPolarHBondContact CA-O 3.27Å; M85-R100 HydrophobicContact CE-CG 4.23Å; M85-R100 HydrophobicContact CG-CG 4.22Å
86	I	95.4	Very high	95.1	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	109.4	174.9	-56.3	159.1	0	0	0	106.4	S98 K99 V101 W134 I156	I86-S98 WeakPolarHBondContact O-CA 3.47Å; I86-K99 HydrophobicContact CB-CB 4.41Å; I86-K99 PolarHBondContact N-O 3.33Å; I86-K99 PolarHBondContact O-N 3.12Å; I86-V101 HydrophobicContact CD1-CG2 4.25Å; I86-W134 HydrophobicContact CD1-CH2 3.59Å; I86-W134 HydrophobicContact CD1-CZ2 4.35Å; I86-W134 HydrophobicContact CD1-CZ3 4.15Å; I86-I156 HydrophobicContact CB-CD1 4.36Å; I86-I156 HydrophobicContact CD1-CB 4.16Å; I86-I156 HydrophobicContact CD1-CD1 3.77Å; I86-I156 HydrophobicContact CD1-CG1 4.49Å; I86-I156 HydrophobicContact CD1-CG2 4.43Å; I86-I156 HydrophobicContact CG1-CD1 3.73Å; I86-I156 HydrophobicContact CG2-CD1 3.69Å
87	I	94.8	Very high	94.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126	-171	-51.6	177.8	0	0	0	109	I45 C49 T75 T76 C78 M85 F89 C96 T97	I45-I87 HydrophobicContact CD1-CD1 4.2Å; I45-I87 HydrophobicContact CD1-CG2 4.12Å; I45-I87 HydrophobicContact CG2-CD1 3.52Å; C49-I87 HydrophobicContact CB-CD1 4.36Å; T75-I87 PolarHBondContact OG1-O 3.18Å; T75-I87 VanDerWaalsContact OG1-O 3.11Å; T76-I87 PolarHBondContact N-O 3.34Å; T76-I87 WeakPolarHBondContact O-CA 3.39Å; T76-I87 WeakPolarHBondContact O-CB 3.39Å; T76-I87 PolarHBondContact O-N 3.22Å; C78-I87 HydrophobicContact CB-CD1 3.84Å; M85-I87 HydrophobicContact CB-CD1 4.33Å; M85-I87 HydrophobicContact CB-CG1 4.16Å; M85-I87 HydrophobicContact CE-CD1 4.45Å; I87-F89 HydrophobicContact CG2-CB 4.16Å; I87-F89 PolarHBondContact O-N 3.3Å; I87-C96 HydrophobicContact CG2-CB 4.1Å; I87-T97 CarbonylContact C-O 3.51Å; I87-T97 WeakPolarHBondContact CA-O 3.3Å; I87-T97 WeakPolarHBondContact CG2-O 3.1Å
88	S	93.2	Very high	94.6	Very high	34 Å²	34	35.7 Å²	35.7	24%	0.238	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	95.6	163.2	-52.7	0	0	0	0	106.7	C96 T97	S88-C96 WeakPolarHBondContact O-CA 3.19Å; S88-T97 WeakPolarHBondContact CB-OG1 3.26Å; S88-T97 PolarHBondContact N-O 3.3Å; S88-T97 PolarHBondContact O-N 2.92Å
89	F	94.8	Very high	94.3	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.3	177.5	-174.9	-97.9	0	0	0	108.9	Y36 L41 K44 I45 I87 F91 E94 D95 C96	Y36-F89 HydrophobicContact CE1-CE1 4.37Å; L41-F89 HydrophobicContact CD1-CD1 4.09Å; L41-F89 HydrophobicContact CD1-CE1 4.01Å; L41-F89 HydrophobicContact CD1-CZ 4.42Å; K44-F89 HydrophobicContact CD-CZ 4.4Å; I45-F89 HydrophobicContact CD1-CB 4.31Å; I45-F89 HydrophobicContact CD1-CD2 3.54Å; I45-F89 HydrophobicContact CD1-CE2 4.1Å; I45-F89 HydrophobicContact CD1-CG 4.06Å; I87-F89 HydrophobicContact CG2-CB 4.16Å; I87-F89 PolarHBondContact O-N 3.3Å; F89-F91 AromaticContact CD1-CD1 3.7Å; F89-F91 HydrophobicContact CD1-CD1 3.7Å; F89-F91 HydrophobicContact CD1-CD2 4.16Å; F89-F91 AromaticContact CD1-CE1 3.72Å; F89-F91 HydrophobicContact CD1-CE1 3.72Å; F89-F91 HydrophobicContact CD1-CE2 4.15Å; F89-F91 AromaticContact CD1-CG 3.94Å; F89-F91 HydrophobicContact CD1-CG 3.94Å; F89-F91 AromaticContact CD1-CZ 3.94Å; F89-F91 HydrophobicContact CD1-CZ 3.94Å; F89-F91 AromaticContact CE1-CD1 3.77Å; F89-F91 HydrophobicContact CE1-CD1 3.77Å; F89-F91 HydrophobicContact CE1-CE1 4.05Å; F89-F91 HydrophobicContact CE1-CG 4.24Å; F89-F91 PolarHBondContact O-N 3.42Å; F89-E94 HydrophobicContact CE2-CB 4.29Å; F89-E94 HydrophobicContact CZ-CB 3.84Å; F89-E94 HydrophobicContact CZ-CG 4.13Å; F89-D95 WeakPolarHBondContact CA-O 3.39Å; F89-C96 HydrophobicContact CD2-CB 3.85Å
90	N	93.5	Very high	94.1	Very high	47 Å²	47	40.6 Å²	40.6	25%	0.251	21%	0.211	S	C	.	.			trans	-85.4	109.2	176.5	179.4	-26.7	0	0	0	109.1	I92 N93 E94 D95	N90-I92 PolarHBondContact O-N 3.27Å; N90-I92 VanDerWaalsContact O-N 3.15Å; N90-I92 WeakPolarHBondContact OD1-CA 3.4Å; N90-I92 VanDerWaalsContact OD1-CB 3.3Å; N90-I92 WeakPolarHBondContact OD1-CB 3.26Å; N90-I92 PolarHBondContact OD1-N 2.94Å; N90-N93 WeakPolarHBondContact CB-OD1 3.39Å; N90-N93 PolarHBondContact ND2-OD1 3.46Å; N90-N93 VanDerWaalsContact ND2-OD1 3.09Å; N90-N93 PolarHBondContact OD1-N 3.25Å; N90-N93 PolarHBondContact OD1-OD1 2.63Å; N90-E94 WeakPolarHBondContact O-CA 3.37Å; N90-E94 PolarHBondContact O-N 2.87Å; N90-D95 PolarHBondContact N-O 3.25Å
91	F	94.4	Very high	94	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.4	-176.8	-69.9	-85	0	0	0	114.6	C33 Y36 L41 V62 E74 F89 C222	C33-F91 HydrophobicContact CB-CD1 3.79Å; C33-F91 HydrophobicContact CB-CD2 3.91Å; C33-F91 HydrophobicContact CB-CE1 3.67Å; C33-F91 HydrophobicContact CB-CE2 3.8Å; C33-F91 HydrophobicContact CB-CG 3.9Å; C33-F91 HydrophobicContact CB-CZ 3.69Å; Y36-F91 AromaticContact CD2-CD1 3.64Å; Y36-F91 HydrophobicContact CD2-CD1 3.64Å; Y36-F91 HydrophobicContact CD2-CE1 4.27Å; Y36-F91 HydrophobicContact CE2-CB 4.15Å; Y36-F91 AromaticContact CE2-CD1 3.66Å; Y36-F91 HydrophobicContact CE2-CD1 3.66Å; Y36-F91 HydrophobicContact CE2-CG 4.41Å; Y36-F91 HydrophobicContact CG-CD1 4.26Å; Y36-F91 PolarHBondContact OH-O 3.16Å; Y36-F91 VanDerWaalsContact OH-O 3.11Å; L41-F91 HydrophobicContact CD1-CE1 3.91Å; L41-F91 HydrophobicContact CD1-CZ 4.47Å; L41-F91 HydrophobicContact CD2-CE1 4.02Å; L41-F91 HydrophobicContact CD2-CZ 4.2Å; V62-F91 HydrophobicContact CG1-CE2 4.14Å; V62-F91 HydrophobicContact CG1-CZ 3.97Å; V62-F91 HydrophobicContact CG2-CE1 4.48Å; V62-F91 HydrophobicContact CG2-CZ 3.77Å; E74-F91 HydrophobicContact CG-CD2 4.49Å; E74-F91 HydrophobicContact CG-CE2 4Å; E74-F91 VanDerWaalsContact OE1-CD2 3.26Å; E74-F91 WeakPolarHBondContact OE1-CD2 3.25Å; F89-F91 AromaticContact CD1-CD1 3.7Å; F89-F91 HydrophobicContact CD1-CD1 3.7Å; F89-F91 HydrophobicContact CD1-CD2 4.16Å; F89-F91 AromaticContact CD1-CE1 3.72Å; F89-F91 HydrophobicContact CD1-CE1 3.72Å; F89-F91 HydrophobicContact CD1-CE2 4.15Å; F89-F91 AromaticContact CD1-CG 3.94Å; F89-F91 HydrophobicContact CD1-CG 3.94Å; F89-F91 AromaticContact CD1-CZ 3.94Å; F89-F91 HydrophobicContact CD1-CZ 3.94Å; F89-F91 AromaticContact CE1-CD1 3.77Å; F89-F91 HydrophobicContact CE1-CD1 3.77Å; F89-F91 HydrophobicContact CE1-CE1 4.05Å; F89-F91 HydrophobicContact CE1-CG 4.24Å; F89-F91 PolarHBondContact O-N 3.42Å; F91-C222 HydrophobicContact CB-CB 4.11Å; F91-C222 HydrophobicContact CD2-CB 4.41Å
92	I	91.5	Very high	94	Very high	61 Å²	61	41.6 Å²	41.6	31%	0.313	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-52.4	178.5	-58.1	164.8	0	0	0	110.8	Y32 N90 C222	Y32-I92 HydrophobicContact CD1-CG1 3.92Å; Y32-I92 HydrophobicContact CD2-CD1 4.22Å; Y32-I92 HydrophobicContact CD2-CG1 3.83Å; Y32-I92 HydrophobicContact CE1-CG1 4.06Å; Y32-I92 HydrophobicContact CE2-CD1 4.12Å; Y32-I92 HydrophobicContact CE2-CG1 3.96Å; Y32-I92 HydrophobicContact CG-CG1 3.8Å; N90-I92 PolarHBondContact O-N 3.27Å; N90-I92 VanDerWaalsContact O-N 3.15Å; N90-I92 WeakPolarHBondContact OD1-CA 3.4Å; N90-I92 VanDerWaalsContact OD1-CB 3.3Å; N90-I92 WeakPolarHBondContact OD1-CB 3.26Å; N90-I92 PolarHBondContact OD1-N 2.94Å; I92-C222 HydrophobicContact CD1-CB 4.4Å; I92-C222 HydrophobicContact CG1-CB 4.36Å
93	N	92	Very high	94	Very high	83 Å²	83	37 Å²	37	44%	0.444	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-4.6	-176.5	74.3	-2.8	0	0	0	113.9	N90 D95	N90-N93 WeakPolarHBondContact CB-OD1 3.39Å; N90-N93 PolarHBondContact ND2-OD1 3.46Å; N90-N93 VanDerWaalsContact ND2-OD1 3.09Å; N90-N93 PolarHBondContact OD1-N 3.25Å; N90-N93 PolarHBondContact OD1-OD1 2.63Å; N93-D95 VanDerWaalsContact C-N 3.3Å; N93-D95 PolarHBondContact ND2-OD2 2.88Å; N93-D95 PolarHBondContact O-N 2.7Å; N93-D95 WeakPolarHBondContact OD1-CB 3.37Å; N93-D95 PolarHBondContact OD1-N 2.98Å; N93-D95 PolarHBondContact OD1-OD2 2.8Å
94	E	92	Very high	94	Very high	46 Å²	46	39.6 Å²	39.6	22%	0.215	21%	0.21	C	C	.	.			trans	62.5	25.6	-179.8	-50.5	-172.9	172.1	0	0	115.9	Y36 K44 K48 F89 N90	Y36-E94 WeakPolarHBondContact OH-CG 3.47Å; Y36-E94 PolarHBondContact OH-OE1 3.23Å; K44-E94 WeakPolarHBondContact CE-OE1 3.21Å; K44-E94 IonicContact NZ-OE1 2.77Å; K44-E94 PolarHBondContact NZ-OE1 3.32Å; K44-E94 IonicContact NZ-OE2 3.06Å; K44-E94 PolarHBondContact NZ-OE2 3.5Å; K48-E94 PolarHBondContact NZ-O 2.92Å; K48-E94 IonicContact NZ-OE2 3.15Å; K48-E94 PolarHBondContact NZ-OE2 2.92Å; K48-E94 VanDerWaalsContact NZ-OE2 3.15Å; F89-E94 HydrophobicContact CE2-CB 4.29Å; F89-E94 HydrophobicContact CZ-CB 3.84Å; F89-E94 HydrophobicContact CZ-CG 4.13Å; N90-E94 WeakPolarHBondContact O-CA 3.37Å; N90-E94 PolarHBondContact O-N 2.87Å
95	D	91.4	Very high	93.9	Very high	102 Å²	102	41.8 Å²	41.8	55%	0.545	23%	0.225	S	C	.	.			trans	-73.7	142.9	169.1	-70.5	-28.5	0	0	0	110.7	F89 N90 N93	F89-D95 WeakPolarHBondContact CA-O 3.39Å; N90-D95 PolarHBondContact N-O 3.25Å; N93-D95 VanDerWaalsContact C-N 3.3Å; N93-D95 PolarHBondContact ND2-OD2 2.88Å; N93-D95 PolarHBondContact O-N 2.7Å; N93-D95 WeakPolarHBondContact OD1-CB 3.37Å; N93-D95 PolarHBondContact OD1-N 2.98Å; N93-D95 PolarHBondContact OD1-OD2 2.8Å
96	C	90.7	Very high	93.9	Very high	36 Å²	36	41.9 Å²	41.9	24%	0.243	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.7	176	88.8	0	0	0	0	112.7	C49 I87 S88 F89	C49-C96 WeakPolarHBondContact CB-SG 3.31Å; C49-C96 WeakPolarHBondContact SG-CB 3.44Å; C49-C96 CovalentContact SG-SG 2.06Å; C49-C96 PolarHBondContact SG-SG 2.64Å; I87-C96 HydrophobicContact CG2-CB 4.1Å; S88-C96 WeakPolarHBondContact O-CA 3.19Å; F89-C96 HydrophobicContact CD2-CB 3.85Å
97	T	92.5	Very high	93.8	Very high	85 Å²	85	48.3 Å²	48.3	52%	0.521	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.3	162.6	58	0	0	0	0	108.6	I87 S88	I87-T97 CarbonylContact C-O 3.51Å; I87-T97 WeakPolarHBondContact CA-O 3.3Å; I87-T97 WeakPolarHBondContact CG2-O 3.1Å; S88-T97 WeakPolarHBondContact CB-OG1 3.26Å; S88-T97 PolarHBondContact N-O 3.3Å; S88-T97 PolarHBondContact O-N 2.92Å
98	S	92.1	Very high	93.8	Very high	39 Å²	39	49.5 Å²	49.5	27%	0.273	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.2	-174.3	57.5	0	0	0	0	112.3	I86 R100	I86-S98 WeakPolarHBondContact O-CA 3.47Å; S98-R100 PolarHBondContact OG-NH1 2.73Å
99	K	92.7	Very high	93.9	Very high	42 Å²	42	48 Å²	48	18%	0.183	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.7	164	178.4	173.1	-180	171	0	108.5	M85 I86 W134 Q151	M85-K99 WeakPolarHBondContact CA-O 3.27Å; I86-K99 HydrophobicContact CB-CB 4.41Å; I86-K99 PolarHBondContact N-O 3.33Å; I86-K99 PolarHBondContact O-N 3.12Å; K99-W134 HydrophobicContact CD-CZ2 4.45Å; K99-Q151 HydrophobicContact CD-CB 4.42Å; K99-Q151 PolarHBondContact NZ-O 3.49Å
100	R	94.1	Very high	93.9	Very high	63 Å²	63	51.2 Å²	51.2	24%	0.238	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.2	177.1	-70.2	169.2	176.7	65.9	6.7	109.5	C49 D54 Y83 M85 S98	C49-R100 PolarHBondContact O-NH2 2.71Å; D54-R100 VanDerWaalsContact CG-NE 3.29Å; D54-R100 VanDerWaalsContact OD1-CD 3.31Å; D54-R100 WeakPolarHBondContact OD1-CD 3.19Å; D54-R100 IonicContact OD1-CZ 2.72Å; D54-R100 IonicContact OD1-NE 4Å; D54-R100 PolarHBondContact OD1-NE 3.35Å; D54-R100 IonicContact OD1-NH2 2.95Å; D54-R100 IonicContact OD2-CZ 2.78Å; D54-R100 IonicContact OD2-NE 2.68Å; D54-R100 PolarHBondContact OD2-NE 2.83Å; D54-R100 IonicContact OD2-NH2 3.02Å; D54-R100 PolarHBondContact OD2-NH2 3.02Å; Y83-R100 HydrophobicContact CD1-CB 3.77Å; Y83-R100 HydrophobicContact CD1-CG 4.47Å; Y83-R100 HydrophobicContact CE1-CB 4.17Å; Y83-R100 HydrophobicContact CG-CB 4.46Å; M85-R100 HydrophobicContact CE-CG 4.23Å; M85-R100 HydrophobicContact CG-CG 4.22Å; S98-R100 PolarHBondContact OG-NH1 2.73Å
101	V	95.2	Very high	94	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.9	173.3	-179.1	0	0	0	0	107.6	Y83 L84 I86 L103 I106 W134	Y83-V101 CarbonylContact C-O 3.5Å; Y83-V101 VanDerWaalsContact CA-O 3.29Å; Y83-V101 WeakPolarHBondContact CA-O 3.33Å; L84-V101 HydrophobicContact CB-CB 4.46Å; L84-V101 PolarHBondContact N-O 2.88Å; L84-V101 PolarHBondContact O-N 2.84Å; I86-V101 HydrophobicContact CD1-CG2 4.25Å; V101-L103 PolarHBondContact O-N 3.19Å; V101-I106 HydrophobicContact CG1-CD1 4.19Å; V101-I106 HydrophobicContact CG1-CG1 3.81Å; V101-W134 HydrophobicContact CB-CD2 4.28Å; V101-W134 HydrophobicContact CB-CE3 4.46Å; V101-W134 HydrophobicContact CG1-CB 3.65Å; V101-W134 HydrophobicContact CG1-CD2 3.52Å; V101-W134 HydrophobicContact CG1-CE3 3.82Å; V101-W134 HydrophobicContact CG1-CG 3.43Å; V101-W134 VanDerWaalsContact CG1-CG 3.43Å; V101-W134 HydrophobicContact CG2-CD2 3.73Å; V101-W134 HydrophobicContact CG2-CE3 3.98Å; V101-W134 HydrophobicContact CG2-CG 4.33Å; V101-W134 HydrophobicContact CG2-CH2 4.02Å; V101-W134 HydrophobicContact CG2-CZ2 3.8Å; V101-W134 HydrophobicContact CG2-CZ3 4.1Å
102	L	96.2	Very high	93.9	Very high	62 Å²	62	49.1 Å²	49.1	33%	0.325	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	129.3	173	-82.5	162.4	0	0	0	109.3	Y83 Q104 C105	Y83-L102 HydrophobicContact CD1-CD2 3.99Å; Y83-L102 HydrophobicContact CD1-CG 4.01Å; Y83-L102 HydrophobicContact CE1-CB 4.41Å; Y83-L102 HydrophobicContact CE1-CD2 3.38Å; Y83-L102 HydrophobicContact CE1-CG 3.46Å; Y83-L102 VanDerWaalsContact CE1-CG 3.46Å; Y83-L102 HydrophobicContact CE2-CD2 4.23Å; L102-Q104 HydrophobicContact CB-CG 4.04Å; L102-Q104 PolarHBondContact O-N 2.81Å; L102-C105 HydrophobicContact CB-CB 4.26Å; L102-C105 WeakPolarHBondContact O-CB 3.32Å; L102-C105 PolarHBondContact O-N 2.87Å
103	L	97.1	Very high	93.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-59.2	-35.2	-178.3	-69	178.1	0	0	0	112.2	L79 T80 K82 L84 V101 C105 I106 L189 Y192	L79-L103 HydrophobicContact CD1-CD1 4.37Å; L79-L103 HydrophobicContact CD1-CD2 3.95Å; T80-L103 WeakPolarHBondContact O-CD1 3.46Å; K82-L103 WeakPolarHBondContact O-CG 3.24Å; K82-L103 PolarHBondContact O-N 3.06Å; L84-L103 HydrophobicContact CB-CD2 3.95Å; V101-L103 PolarHBondContact O-N 3.19Å; L103-C105 PolarHBondContact O-N 3.32Å; L103-I106 HydrophobicContact CD2-CD1 4.03Å; L103-I106 PolarHBondContact O-N 3.19Å; L103-L189 HydrophobicContact CB-CD2 4.12Å; L103-L189 HydrophobicContact CD2-CD2 4.03Å; L103-L189 WeakPolarHBondContact O-CD2 3.3Å; L103-Y192 HydrophobicContact CB-CD2 4.25Å; L103-Y192 HydrophobicContact CB-CE2 3.54Å
104	Q	95.7	Very high	93.6	Very high	106 Å²	106	43.8 Å²	43.8	50%	0.495	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-64.2	-21	175.7	64.5	176.2	12.4	0	0	114.6	L102 K107 Y192	L102-Q104 HydrophobicContact CB-CG 4.04Å; L102-Q104 PolarHBondContact O-N 2.81Å; Q104-K107 PolarHBondContact O-NZ 2.94Å; Q104-Y192 HydrophobicContact CB-CD1 4.05Å; Q104-Y192 HydrophobicContact CB-CE1 3.72Å
105	C	95.3	Very high	93.4	Very high	47 Å²	47	43.6 Å²	43.6	32%	0.318	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-84.2	-21	178.6	-67.1	0	0	0	0	112	L102 L103 K107 W134	L102-C105 HydrophobicContact CB-CB 4.26Å; L102-C105 WeakPolarHBondContact O-CB 3.32Å; L102-C105 PolarHBondContact O-N 2.87Å; L103-C105 PolarHBondContact O-N 3.32Å; C105-K107 WeakPolarHBondContact O-CG 3.49Å; C105-K107 PolarHBondContact O-N 2.96Å; C105-W134 HydrophobicContact CB-CB 4.36Å; C105-W134 CarbonylContact O-C 3.48Å; C105-W134 VanDerWaalsContact O-CA 3.3Å; C105-W134 WeakPolarHBondContact O-CA 3.46Å
106	I	96.2	Very high	93	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.202	C	C	.	.			trans	-65.7	126	176.2	-64.7	169	0	0	0	108.4	L84 V101 L103 V109 I132 W134 L189 V194	L84-I106 HydrophobicContact CB-CD1 4.15Å; L84-I106 HydrophobicContact CD2-CD1 3.99Å; V101-I106 HydrophobicContact CG1-CD1 4.19Å; V101-I106 HydrophobicContact CG1-CG1 3.81Å; L103-I106 HydrophobicContact CD2-CD1 4.03Å; L103-I106 PolarHBondContact O-N 3.19Å; I106-V109 HydrophobicContact CG2-CG2 4.09Å; I106-I132 HydrophobicContact CB-CG2 4.42Å; I106-I132 HydrophobicContact CD1-CG2 3.91Å; I106-I132 HydrophobicContact CG1-CG2 4Å; I106-I132 HydrophobicContact CG2-CG2 3.55Å; I106-W134 HydrophobicContact CG1-CB 4.02Å; I106-L189 HydrophobicContact CB-CD1 4.4Å; I106-L189 HydrophobicContact CB-CD2 3.91Å; I106-L189 HydrophobicContact CD1-CD1 4.33Å; I106-L189 HydrophobicContact CD1-CD2 3.97Å; I106-L189 HydrophobicContact CG1-CD2 4.49Å; I106-L189 HydrophobicContact CG2-CD1 3.74Å; I106-L189 HydrophobicContact CG2-CD2 4.14Å; I106-V194 WeakPolarHBondContact O-CG2 3.4Å
107	K	93.7	Very high	92.6	Very high	143 Å²	143	39.4 Å²	39.4	62%	0.622	20%	0.199	S	C	*	.			trans	-109.2	-34.1	-177.5	-60.2	-51.3	-178.6	-168.5	0	112.6	Q104 C105 I133	Q104-K107 PolarHBondContact O-NZ 2.94Å; C105-K107 WeakPolarHBondContact O-CG 3.49Å; C105-K107 PolarHBondContact O-N 2.96Å; K107-I133 PolarHBondContact N-O 2.68Å
108	T	94.5	Very high	91.9	Very high	25 Å²	25	43.2 Å²	43.2	15%	0.153	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	136.1	-172.7	-51.1	0	0	0	0	110.1	R110 I132 I133 E197	T108-R110 HydrophobicContact CG2-CG 3.73Å; T108-I132 WeakPolarHBondContact O-CA 3.46Å; T108-I133 HydrophobicContact CG2-CD1 4.46Å; T108-I133 PolarHBondContact N-O 2.89Å; T108-I133 PolarHBondContact O-N 2.95Å; T108-E197 WeakPolarHBondContact CG2-OE2 3.48Å
109	V	96.4	Very high	91.1	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	118.5	169.8	177.6	0	0	0	0	107.1	I106 V130 Q131 I132 I182 L189 V194 V196 E197	I106-V109 HydrophobicContact CG2-CG2 4.09Å; V109-V130 HydrophobicContact CG1-CG1 4.3Å; V109-Q131 CarbonylContact C-O 3.55Å; V109-Q131 WeakPolarHBondContact CA-O 3.4Å; V109-I132 HydrophobicContact CG2-CG1 4.39Å; V109-I132 HydrophobicContact CG2-CG2 4.36Å; V109-I182 HydrophobicContact CG1-CD1 3.46Å; V109-I182 VanDerWaalsContact CG1-CD1 3.46Å; V109-I182 HydrophobicContact CG1-CG1 4.49Å; V109-L189 HydrophobicContact CG2-CD1 3.51Å; V109-V194 HydrophobicContact CG2-CG1 3.98Å; V109-V196 HydrophobicContact CG1-CG2 4.04Å; V109-E197 PolarHBondContact O-N 3.43Å
110	R	95	Very high	90.5	Very high	75 Å²	75	47.8 Å²	47.8	28%	0.283	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.1	177	-51.2	-168.9	176	126.6	-5.1	110.8	T108 V130 Q131 E197 I201	T108-R110 HydrophobicContact CG2-CG 3.73Å; R110-V130 CarbonylContact O-C 3.59Å; R110-V130 VanDerWaalsContact O-CA 3.27Å; R110-V130 WeakPolarHBondContact O-CA 3.35Å; R110-Q131 HydrophobicContact CB-CB 4.3Å; R110-Q131 PolarHBondContact N-O 3.2Å; R110-Q131 PolarHBondContact O-N 3.14Å; R110-E197 CarbonylContact C-O 3.57Å; R110-E197 WeakPolarHBondContact CA-O 3.42Å; R110-E197 HydrophobicContact CG-CB 4.26Å; R110-E197 IonicContact NE-OE2 3.22Å; R110-E197 PolarHBondContact NE-OE2 2.99Å; R110-I201 HydrophobicContact CB-CG1 4.35Å
111	V	94.7	Very high	89.7	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.9	170.5	178.7	0	0	0	0	107.8	V13 I19 G129 V130 I182 V196 E197 Y198 A199	V13-V111 HydrophobicContact CG1-CG1 4.31Å; I19-V111 HydrophobicContact CG1-CG1 4.02Å; V111-G129 WeakPolarHBondContact CA-O 3.22Å; V111-V130 HydrophobicContact CG2-CG1 4.41Å; V111-V130 HydrophobicContact CG2-CG2 4.19Å; V111-I182 HydrophobicContact CG2-CG1 4.07Å; V111-V196 HydrophobicContact CB-CG1 4.06Å; V111-V196 HydrophobicContact CG2-CG1 3.49Å; V111-V196 VanDerWaalsContact CG2-CG1 3.49Å; V111-E197 PolarHBondContact N-O 2.9Å; V111-Y198 HydrophobicContact CB-CD1 4.01Å; V111-Y198 HydrophobicContact CB-CE1 4.13Å; V111-Y198 HydrophobicContact CG1-CD1 4.29Å; V111-Y198 HydrophobicContact CG1-CE1 4.23Å; V111-Y198 CarbonylContact O-C 3.58Å; V111-Y198 VanDerWaalsContact O-CA 3.3Å; V111-Y198 WeakPolarHBondContact O-CA 3.3Å; V111-A199 PolarHBondContact O-N 3.46Å
112	G	91.8	Very high	89	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-170.6	179.9	0	0	0	0	0	115.1	G128 G129 A199	G112-G128 CarbonylContact O-C 3.55Å; G112-G128 VanDerWaalsContact O-CA 3.31Å; G112-G128 WeakPolarHBondContact O-CA 3.34Å; G112-G129 PolarHBondContact N-O 2.59Å; G112-G129 VanDerWaalsContact N-O 3.09Å; G112-G129 PolarHBondContact O-N 3.37Å; G112-A199 VanDerWaalsContact CA-O 3.31Å; G112-A199 WeakPolarHBondContact CA-O 3.2Å
113	N	89.4	Confident	88.1	Confident	25 Å²	25	49.5 Å²	49.5	13%	0.134	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.8	178.7	-75	-36.5	0	0	0	110.5	F12 I115 I201	F12-N113 VanDerWaalsContact CA-OD1 3.22Å; F12-N113 WeakPolarHBondContact CA-OD1 3.3Å; F12-N113 HydrophobicContact CB-CB 4.18Å; F12-N113 VanDerWaalsContact CB-N 3.34Å; F12-N113 WeakPolarHBondContact CB-OD1 3.5Å; N113-I115 HydrophobicContact CB-CD1 3.74Å; N113-I115 HydrophobicContact CB-CG1 4.35Å; N113-I115 PolarHBondContact O-N 2.71Å; N113-I201 PolarHBondContact O-N 3.09Å
114	L	89.8	Confident	87.2	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	105.5	172.8	-64.9	168.3	0	0	0	109.1	I66 R125 Y127 I157 I201 L203	I66-L114 HydrophobicContact CD1-CD1 3.51Å; I66-L114 HydrophobicContact CD1-CD2 4.09Å; I66-L114 HydrophobicContact CD1-CG 4.42Å; L114-R125 HydrophobicContact CB-CB 4.35Å; L114-Y127 HydrophobicContact CD1-CD2 3.74Å; L114-Y127 HydrophobicContact CD1-CE2 3.36Å; L114-I157 HydrophobicContact CD2-CG2 3.68Å; L114-I201 HydrophobicContact CD2-CB 4.11Å; L114-I201 HydrophobicContact CD2-CD1 4.41Å; L114-I201 HydrophobicContact CD2-CG2 3.96Å; L114-L203 HydrophobicContact CB-CD1 4.07Å; L114-L203 HydrophobicContact CD2-CD2 4.14Å
115	I	87.2	Confident	86.6	Confident	43 Å²	43	51.5 Å²	51.5	22%	0.221	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116	-175.1	-54.4	-56.2	0	0	0	109.4	N113 N200 I201 H202 L203	N113-I115 HydrophobicContact CB-CD1 3.74Å; N113-I115 HydrophobicContact CB-CG1 4.35Å; N113-I115 PolarHBondContact O-N 2.71Å; I115-N200 HydrophobicContact CG1-CB 3.79Å; I115-I201 PolarHBondContact N-O 3.02Å; I115-H202 WeakPolarHBondContact O-CA 3.49Å; I115-L203 PolarHBondContact O-N 3.12Å
116	Q	83.7	Confident	85.8	Confident	22 Å²	22	53.7 Å²	53.7	10%	0.103	28%	0.275	C	S	.	.			trans	-75	151.7	171.2	-73.7	163.8	-0	0	0	110.5	L122 P123 L203	Q116-L122 HydrophobicContact CG-CB 4.38Å; Q116-L122 VanDerWaalsContact NE2-CB 3.27Å; Q116-L122 VanDerWaalsContact OE1-CB 3.3Å; Q116-L122 PolarHBondContact OE1-O 3.15Å; Q116-P123 PolarHBondContact NE2-O 2.97Å; Q116-P123 PolarHBondContact OE1-O 2.84Å; Q116-L203 HydrophobicContact CG-CD1 4.23Å
117	P	80.7	Confident	85.3	Confident	27 Å²	27	54.9 Å²	54.9	18%	0.175	28%	0.279	C	S	.	.			trans	-58.5	144	172.4	-20.7	31.9	0	0	0	110.9	W119 S120 L203	P117-W119 HydrophobicContact CB-CD2 4.14Å; P117-W119 HydrophobicContact CB-CG 4.11Å; P117-W119 HydrophobicContact CB-CZ2 4.25Å; P117-W119 HydrophobicContact CG-CZ2 4.21Å; P117-W119 PolarHBondContact O-N 3.5Å; P117-S120 WeakPolarHBondContact O-CA 2.85Å; P117-S120 WeakPolarHBondContact O-CB 3.5Å; P117-S120 PolarHBondContact O-N 3.33Å; P117-L203 VanDerWaalsContact CD-O 3.24Å; P117-L203 WeakPolarHBondContact CD-O 3.18Å; P117-L203 WeakPolarHBondContact CG-O 3.32Å
118	N	78	Confident	85	Confident	165 Å²	165	48.1 Å²	48.1	88%	0.882	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.2	-179.1	-66.3	-13.9	0	0	0	114.1	S120	N118-S120 VanDerWaalsContact C-N 3.31Å
119	W	76.7	Confident	85	Confident	158 Å²	158	46.9 Å²	46.9	60%	0.598	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.6	177.8	60.7	-99.1	0	0	0	113	P117 S205	P117-W119 HydrophobicContact CB-CD2 4.14Å; P117-W119 HydrophobicContact CB-CG 4.11Å; P117-W119 HydrophobicContact CB-CZ2 4.25Å; P117-W119 HydrophobicContact CG-CZ2 4.21Å; P117-W119 PolarHBondContact O-N 3.5Å; W119-S205 WeakPolarHBondContact CH2-O 3.49Å; W119-S205 WeakPolarHBondContact CZ2-O 3.48Å
120	S	79.1	Confident	85	Confident	19 Å²	19	46.9 Å²	46.9	13%	0.133	24%	0.243	C	C	.	.			trans	-73.9	136.1	-179.7	-174.1	0	0	0	0	111.4	P117 N118 L122 N208	P117-S120 WeakPolarHBondContact O-CA 2.85Å; P117-S120 WeakPolarHBondContact O-CB 3.5Å; P117-S120 PolarHBondContact O-N 3.33Å; N118-S120 VanDerWaalsContact C-N 3.31Å; S120-L122 VanDerWaalsContact C-N 3.32Å; S120-L122 WeakPolarHBondContact OG-CB 3.48Å; S120-L122 PolarHBondContact OG-N 3.1Å; S120-N208 WeakPolarHBondContact CA-ND2 3.07Å; S120-N208 PolarHBondContact OG-OD1 2.97Å
121	A	77	Confident	85	Confident	73 Å²	73	43.7 Å²	43.7	60%	0.603	23%	0.231	S	C	*	.			trans	-92.2	6.5	171.8	0	0	0	0	0	112.6	N208	A121-N208 HydrophobicContact CB-CB 4.21Å; A121-N208 PolarHBondContact N-ND2 3.09Å
122	L	80.2	Confident	85.1	Confident	13 Å²	13	43.3 Å²	43.3	7%	0.068	23%	0.229	C	C	.	.	S	Bend	trans	-67.9	150	175.5	-73.6	161	0	0	0	109.7	D70 Q116 S120 S205 N208 T211 I212	D70-L122 HydrophobicContact CB-CD1 4.34Å; D70-L122 VanDerWaalsContact OD2-CD1 3.25Å; D70-L122 WeakPolarHBondContact OD2-CD1 3.19Å; Q116-L122 HydrophobicContact CG-CB 4.38Å; Q116-L122 VanDerWaalsContact NE2-CB 3.27Å; Q116-L122 VanDerWaalsContact OE1-CB 3.3Å; Q116-L122 PolarHBondContact OE1-O 3.15Å; S120-L122 VanDerWaalsContact C-N 3.32Å; S120-L122 WeakPolarHBondContact OG-CB 3.48Å; S120-L122 PolarHBondContact OG-N 3.1Å; L122-S205 WeakPolarHBondContact CD1-OG 3.47Å; L122-N208 HydrophobicContact CG-CB 4.19Å; L122-T211 HydrophobicContact CD1-CG2 3.9Å; L122-T211 HydrophobicContact CD2-CG2 3.69Å; L122-T211 HydrophobicContact CG-CG2 4.46Å; L122-I212 HydrophobicContact CD2-CB 4.38Å; L122-I212 HydrophobicContact CD2-CD1 4.48Å; L122-I212 HydrophobicContact CD2-CG1 3.44Å; L122-I212 VanDerWaalsContact CD2-CG1 3.44Å; L122-I212 HydrophobicContact CG-CG1 4.32Å
123	P	77.9	Confident	85.2	Confident	82 Å²	82	43.9 Å²	43.9	53%	0.532	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-68.2	139.4	174.1	28.1	-33.1	0	0	0	109.8	Q116 R125	Q116-P123 PolarHBondContact NE2-O 2.97Å; Q116-P123 PolarHBondContact OE1-O 2.84Å; P123-R125 PolarHBondContact O-N 3.15Å
124	Q	78.3	Confident	85.4	Confident	123 Å²	123	44.4 Å²	44.4	58%	0.575	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-57.6	138.3	173.2	-69.5	-175.3	-2	0	0	110.7
125	R	82.6	Confident	85.3	Confident	25 Å²	25	45.5 Å²	45.5	9%	0.094	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-88.8	118.8	177.3	-70.8	179.4	169.4	100.8	-5.4	109.5	D70 E72 L114 P123 Y127 N215	D70-R125 PolarHBondContact O-NH2 3.2Å; D70-R125 IonicContact OD1-CZ 3.74Å; D70-R125 IonicContact OD1-NH1 3.72Å; D70-R125 PolarHBondContact OD1-NH1 3.32Å; D70-R125 IonicContact OD1-NH2 3.04Å; D70-R125 PolarHBondContact OD1-NH2 2.81Å; D70-R125 IonicContact OD2-CZ 3.31Å; D70-R125 IonicContact OD2-NH1 2.98Å; D70-R125 PolarHBondContact OD2-NH1 3.36Å; D70-R125 IonicContact OD2-NH2 3.72Å; E72-R125 IonicContact OE1-CZ 2.77Å; E72-R125 IonicContact OE1-NE 2.73Å; E72-R125 PolarHBondContact OE1-NE 3.4Å; E72-R125 IonicContact OE1-NH2 3.44Å; E72-R125 PolarHBondContact OE1-NH2 3.03Å; L114-R125 HydrophobicContact CB-CB 4.35Å; P123-R125 PolarHBondContact O-N 3.15Å; R125-Y127 HydrophobicContact CB-CD1 4.2Å; R125-Y127 HydrophobicContact CB-CE1 3.91Å; R125-Y127 HydrophobicContact CB-CE2 4.23Å; R125-Y127 VanDerWaalsContact CD-CZ 3.44Å; R125-Y127 WeakPolarHBondContact CD-OH 3.25Å; R125-Y127 HydrophobicContact CG-CE1 3.92Å; R125-Y127 HydrophobicContact CG-CE2 4.34Å; R125-Y127 PolarHBondContact NE-OH 3.07Å; R125-Y127 PolarHBondContact O-N 3.38Å; R125-N215 PolarHBondContact NH2-ND2 3.25Å
126	N	78.4	Confident	84.9	Confident	93 Å²	93	49.5 Å²	49.5	50%	0.497	26%	0.263	S	S	.	.	S	Bend	trans	-87.7	32.5	179.6	-64.2	-30.7	0	0	0	112.8	R10	R10-N126 PolarHBondContact NH1-O 3.39Å
127	Y	86	Confident	84.6	Confident	25 Å²	25	51.1 Å²	51.1	10%	0.098	27%	0.271	C	S	.	.	S	Bend	trans	-143.2	152.3	-179.8	57.1	-101	0	0	0	109.8	W20 A22 E72 L114 R125 H159	W20-Y127 WeakPolarHBondContact O-CA 3.34Å; W20-Y127 WeakPolarHBondContact O-CB 3.33Å; A22-Y127 HydrophobicContact CB-CD1 3.95Å; A22-Y127 HydrophobicContact CB-CG 4.47Å; E72-Y127 PolarHBondContact OE1-OH 3.48Å; L114-Y127 HydrophobicContact CD1-CD2 3.74Å; L114-Y127 HydrophobicContact CD1-CE2 3.36Å; R125-Y127 HydrophobicContact CB-CD1 4.2Å; R125-Y127 HydrophobicContact CB-CE1 3.91Å; R125-Y127 HydrophobicContact CB-CE2 4.23Å; R125-Y127 VanDerWaalsContact CD-CZ 3.44Å; R125-Y127 WeakPolarHBondContact CD-OH 3.25Å; R125-Y127 HydrophobicContact CG-CE1 3.92Å; R125-Y127 HydrophobicContact CG-CE2 4.34Å; R125-Y127 PolarHBondContact NE-OH 3.07Å; R125-Y127 PolarHBondContact O-N 3.38Å; Y127-H159 HydrophobicContact CD2-CB 4.41Å; Y127-H159 HydrophobicContact CE2-CB 4.37Å; Y127-H159 AromaticContact CE2-CD2 3.86Å; Y127-H159 AromaticContact CE2-CE1 3.96Å; Y127-H159 AromaticContact CE2-CG 3.83Å; Y127-H159 AromaticContact CE2-ND1 3.94Å; Y127-H159 AromaticContact CE2-NE2 3.94Å
128	G	88.9	Confident	84.1	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	174.8	176	0	0	0	0	0	112.5	I19 G112	I19-G128 VanDerWaalsContact CG2-C 3.41Å; I19-G128 VanDerWaalsContact CG2-O 3.27Å; I19-G128 WeakPolarHBondContact CG2-O 3.31Å; G112-G128 CarbonylContact O-C 3.55Å; G112-G128 VanDerWaalsContact O-CA 3.31Å; G112-G128 WeakPolarHBondContact O-CA 3.34Å
129	G	93.8	Very high	83.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-179.7	174.5	0	0	0	0	0	112.4	V111 G112 L158 I201	V111-G129 WeakPolarHBondContact CA-O 3.22Å; G112-G129 PolarHBondContact N-O 2.59Å; G112-G129 VanDerWaalsContact N-O 3.09Å; G112-G129 PolarHBondContact O-N 3.37Å; G129-L158 CarbonylContact C-O 3.58Å; G129-L158 VanDerWaalsContact CA-O 3.3Å; G129-L158 WeakPolarHBondContact CA-O 3.44Å; G129-I201 VanDerWaalsContact O-CD1 3.25Å; G129-I201 WeakPolarHBondContact O-CD1 3.33Å
130	V	95.6	Very high	83.2	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.1	178	-175.5	0	0	0	0	108.5	I19 V109 R110 V111 I132 I157 L158 I182	I19-V130 HydrophobicContact CD1-CG2 3.65Å; V109-V130 HydrophobicContact CG1-CG1 4.3Å; R110-V130 CarbonylContact O-C 3.59Å; R110-V130 VanDerWaalsContact O-CA 3.27Å; R110-V130 WeakPolarHBondContact O-CA 3.35Å; V111-V130 HydrophobicContact CG2-CG1 4.41Å; V111-V130 HydrophobicContact CG2-CG2 4.19Å; V130-I132 HydrophobicContact CG1-CD1 4.5Å; V130-I132 HydrophobicContact CG1-CG1 4.05Å; V130-I157 CarbonylContact O-C 3.48Å; V130-I157 VanDerWaalsContact O-CA 3.23Å; V130-I157 WeakPolarHBondContact O-CA 3.14Å; V130-L158 HydrophobicContact CB-CB 4.46Å; V130-L158 PolarHBondContact N-O 3.1Å; V130-L158 PolarHBondContact O-N 3.11Å; V130-I182 HydrophobicContact CG1-CD1 3.45Å; V130-I182 VanDerWaalsContact CG1-CD1 3.45Å; V130-I182 HydrophobicContact CG1-CG1 3.99Å; V130-I182 HydrophobicContact CG2-CB 4.12Å; V130-I182 HydrophobicContact CG2-CD1 4.47Å; V130-I182 HydrophobicContact CG2-CG1 4.14Å
131	Q	95.7	Very high	82.5	Confident	7 Å²	7	56.8 Å²	56.8	3%	0.033	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.4	171.5	179	-178.8	73.9	0	0	109.3	V109 R110 I133 M155 I156 I157 I201	V109-Q131 CarbonylContact C-O 3.55Å; V109-Q131 WeakPolarHBondContact CA-O 3.4Å; R110-Q131 HydrophobicContact CB-CB 4.3Å; R110-Q131 PolarHBondContact N-O 3.2Å; R110-Q131 PolarHBondContact O-N 3.14Å; Q131-I133 HydrophobicContact CG-CD1 4.19Å; Q131-I133 HydrophobicContact CG-CG1 3.96Å; Q131-M155 HydrophobicContact CG-CE 4.01Å; Q131-M155 HydrophobicContact CG-CG 4.38Å; Q131-I156 CarbonylContact C-O 3.5Å; Q131-I156 WeakPolarHBondContact CA-O 3.44Å; Q131-I157 HydrophobicContact CB-CG1 4.22Å; Q131-I157 HydrophobicContact CG-CG1 4.11Å; Q131-I201 HydrophobicContact CB-CD1 3.78Å; Q131-I201 HydrophobicContact CB-CG1 3.88Å; Q131-I201 HydrophobicContact CB-CG2 3.97Å; Q131-I201 HydrophobicContact CG-CG2 4.45Å
132	I	96.2	Very high	81.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.2	175	-53.8	172.9	0	0	0	107.7	L84 I106 T108 V109 V130 W134 M155 I156 I185	L84-I132 HydrophobicContact CD2-CD1 3.77Å; L84-I132 HydrophobicContact CD2-CG2 4.41Å; I106-I132 HydrophobicContact CB-CG2 4.42Å; I106-I132 HydrophobicContact CD1-CG2 3.91Å; I106-I132 HydrophobicContact CG1-CG2 4Å; I106-I132 HydrophobicContact CG2-CG2 3.55Å; T108-I132 WeakPolarHBondContact O-CA 3.46Å; V109-I132 HydrophobicContact CG2-CG1 4.39Å; V109-I132 HydrophobicContact CG2-CG2 4.36Å; V130-I132 HydrophobicContact CG1-CD1 4.5Å; V130-I132 HydrophobicContact CG1-CG1 4.05Å; I132-W134 HydrophobicContact CG2-CE3 4.26Å; I132-M155 CarbonylContact O-C 3.51Å; I132-M155 VanDerWaalsContact O-CA 3.22Å; I132-M155 WeakPolarHBondContact O-CA 3.36Å; I132-I156 HydrophobicContact CB-CG2 3.91Å; I132-I156 HydrophobicContact CD1-CG2 4.35Å; I132-I156 HydrophobicContact CG1-CG2 4.37Å; I132-I156 PolarHBondContact N-O 3.43Å; I132-I156 PolarHBondContact O-N 3.36Å; I132-I185 HydrophobicContact CD1-CD1 4.11Å; I132-I185 HydrophobicContact CD1-CG2 4.2Å
133	I	94.5	Very high	81	Confident	12 Å²	12	66.2 Å²	66.2	6%	0.062	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.3	-176.3	-54.7	166.5	0	0	0	109	K107 T108 Q131 G135 L137 M155	K107-I133 PolarHBondContact N-O 2.68Å; T108-I133 HydrophobicContact CG2-CD1 4.46Å; T108-I133 PolarHBondContact N-O 2.89Å; T108-I133 PolarHBondContact O-N 2.95Å; Q131-I133 HydrophobicContact CG-CD1 4.19Å; Q131-I133 HydrophobicContact CG-CG1 3.96Å; I133-G135 VanDerWaalsContact CG2-O 3.25Å; I133-G135 WeakPolarHBondContact CG2-O 3.3Å; I133-L137 HydrophobicContact CD1-CD1 3.93Å; I133-L137 HydrophobicContact CG1-CD1 4.39Å; I133-L137 HydrophobicContact CG2-CD1 4.37Å; I133-L137 HydrophobicContact CG2-CD2 4.28Å; I133-L137 HydrophobicContact CG2-CG 4.15Å; I133-M155 HydrophobicContact CD1-CE 4.29Å; I133-M155 HydrophobicContact CG1-CB 4.37Å; I133-M155 HydrophobicContact CG1-CE 4.13Å
134	W	93.8	Very high	80.3	Confident	36 Å²	36	63.8 Å²	63.8	14%	0.136	30%	0.303	C	S	.	.			trans	-128	9.2	-179.3	58.7	80.3	0	0	0	114.2	I86 K99 V101 C105 I106 I132 P154 M155 I156	I86-W134 HydrophobicContact CD1-CH2 3.59Å; I86-W134 HydrophobicContact CD1-CZ2 4.35Å; I86-W134 HydrophobicContact CD1-CZ3 4.15Å; K99-W134 HydrophobicContact CD-CZ2 4.45Å; V101-W134 HydrophobicContact CB-CD2 4.28Å; V101-W134 HydrophobicContact CB-CE3 4.46Å; V101-W134 HydrophobicContact CG1-CB 3.65Å; V101-W134 HydrophobicContact CG1-CD2 3.52Å; V101-W134 HydrophobicContact CG1-CE3 3.82Å; V101-W134 HydrophobicContact CG1-CG 3.43Å; V101-W134 VanDerWaalsContact CG1-CG 3.43Å; V101-W134 HydrophobicContact CG2-CD2 3.73Å; V101-W134 HydrophobicContact CG2-CE3 3.98Å; V101-W134 HydrophobicContact CG2-CG 4.33Å; V101-W134 HydrophobicContact CG2-CH2 4.02Å; V101-W134 HydrophobicContact CG2-CZ2 3.8Å; V101-W134 HydrophobicContact CG2-CZ3 4.1Å; C105-W134 HydrophobicContact CB-CB 4.36Å; C105-W134 CarbonylContact O-C 3.48Å; C105-W134 VanDerWaalsContact O-CA 3.3Å; C105-W134 WeakPolarHBondContact O-CA 3.46Å; I106-W134 HydrophobicContact CG1-CB 4.02Å; I132-W134 HydrophobicContact CG2-CE3 4.26Å; W134-P154 PolarHBondContact N-O 3.35Å; W134-M155 WeakPolarHBondContact CH2-O 3.42Å; W134-I156 HydrophobicContact CH2-CB 3.95Å; W134-I156 HydrophobicContact CH2-CG2 4.22Å; W134-I156 HydrophobicContact CZ3-CB 4.01Å; W134-I156 HydrophobicContact CZ3-CG2 3.78Å
135	G	86.4	Confident	79.5	Confident	30 Å²	30	62.1 Å²	62.1	31%	0.309	29%	0.291	S	S	.	.	S	Bend	trans	-163.8	179.8	177.4	0	0	0	0	0	111.4	I133 L137	I133-G135 VanDerWaalsContact CG2-O 3.25Å; I133-G135 WeakPolarHBondContact CG2-O 3.3Å; G135-L137 PolarHBondContact O-N 3.09Å
136	E	80.4	Confident	78.4	Confident	127 Å²	127	66.1 Å²	66.1	59%	0.593	31%	0.306	S	S	*	.			trans	-79.8	112.8	-173.1	-60.1	-170.5	-167.2	0	0	110.8	E138 E139	E136-E138 VanDerWaalsContact C-N 3.28Å; E136-E138 PolarHBondContact O-N 2.87Å; E136-E139 HydrophobicContact CB-CB 4.19Å; E136-E139 HydrophobicContact CB-CG 3.85Å; E136-E139 PolarHBondContact O-N 3.46Å
137	L	76.9	Confident	77.8	Confident	55 Å²	55	64.8 Å²	64.8	29%	0.288	30%	0.299	S	S	.	.	S	Bend	trans	-68	-32	-179.5	-60	173.9	0	0	0	111.8	I133 G135 E139 T140 R145 V153 P154 M155	I133-L137 HydrophobicContact CD1-CD1 3.93Å; I133-L137 HydrophobicContact CG1-CD1 4.39Å; I133-L137 HydrophobicContact CG2-CD1 4.37Å; I133-L137 HydrophobicContact CG2-CD2 4.28Å; I133-L137 HydrophobicContact CG2-CG 4.15Å; G135-L137 PolarHBondContact O-N 3.09Å; L137-E139 VanDerWaalsContact C-N 3.34Å; L137-T140 WeakPolarHBondContact O-CB 3.29Å; L137-T140 PolarHBondContact O-N 3.25Å; L137-T140 PolarHBondContact O-OG1 3.3Å; L137-R145 PolarHBondContact O-NH2 2.76Å; L137-V153 HydrophobicContact CD2-CG1 4.31Å; L137-P154 HydrophobicContact CD2-CG 4.08Å; L137-M155 HydrophobicContact CD1-CE 3.31Å; L137-M155 HydrophobicContact CD2-CB 3.68Å; L137-M155 HydrophobicContact CD2-CE 3.64Å; L137-M155 HydrophobicContact CD2-SD 4.47Å; L137-M155 HydrophobicContact CG-CE 4.11Å
138	E	70.6	Confident	76.3	Confident	179 Å²	179	66 Å²	66	84%	0.836	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-36.1	-179.1	-63.9	-174.7	-176	0	0	111.9	E136 T140 R145	E136-E138 VanDerWaalsContact C-N 3.28Å; E136-E138 PolarHBondContact O-N 2.87Å; E138-T140 VanDerWaalsContact C-N 3.28Å; E138-T140 PolarHBondContact O-N 3.47Å; E138-R145 PolarHBondContact O-NH2 2.78Å
139	E	67.2	Low	75	Confident	146 Å²	146	72.7 Å²	72.7	68%	0.682	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.9	178.9	-59.3	-166.2	141.9	0	0	114	E136 L137 K141	E136-E139 HydrophobicContact CB-CB 4.19Å; E136-E139 HydrophobicContact CB-CG 3.85Å; E136-E139 PolarHBondContact O-N 3.46Å; L137-E139 VanDerWaalsContact C-N 3.34Å; E139-K141 PolarHBondContact O-N 2.98Å; E139-K141 VanDerWaalsContact O-N 3.13Å
140	T	67	Low	73.5	Confident	15 Å²	15	73.2 Å²	73.2	9%	0.092	35%	0.348	C	S	.	.	S	Bend	trans	-62.7	119.9	178.8	-55.6	0	0	0	0	109.7	L137 E138 W142 D144 R145 V153 P154	L137-T140 WeakPolarHBondContact O-CB 3.29Å; L137-T140 PolarHBondContact O-N 3.25Å; L137-T140 PolarHBondContact O-OG1 3.3Å; E138-T140 VanDerWaalsContact C-N 3.28Å; E138-T140 PolarHBondContact O-N 3.47Å; T140-W142 PolarHBondContact O-N 2.89Å; T140-D144 HydrophobicContact CG2-CB 4.14Å; T140-R145 HydrophobicContact CG2-CG 3.98Å; T140-R145 PolarHBondContact O-NE 2.85Å; T140-V153 HydrophobicContact CG2-CG2 4.11Å; T140-P154 VanDerWaalsContact OG1-CD 3.26Å; T140-P154 WeakPolarHBondContact OG1-CD 3.46Å
141	K	65.7	Low	72.2	Confident	149 Å²	149	76.5 Å²	76.5	65%	0.648	36%	0.363	S	S	*	.			trans	-56.7	142.5	-176.3	-63.5	175.5	-179.3	172	0	110.2	E139 I143 D144 R145	E139-K141 PolarHBondContact O-N 2.98Å; E139-K141 VanDerWaalsContact O-N 3.13Å; K141-I143 HydrophobicContact CB-CG2 4.23Å; K141-I143 PolarHBondContact O-N 3.5Å; K141-I143 VanDerWaalsContact O-N 3.16Å; K141-D144 PolarHBondContact O-N 2.97Å; K141-R145 PolarHBondContact O-N 2.89Å
142	W	63.6	Low	71.1	Confident	172 Å²	172	80.8 Å²	80.8	65%	0.652	39%	0.386	S	S	*	.	H	α-helix	trans	-52.6	-39.2	175.8	-178.9	94.3	0	0	0	111.7	T140 D144 R145 W146	T140-W142 PolarHBondContact O-N 2.89Å; W142-D144 VanDerWaalsContact C-N 3.29Å; W142-D144 PolarHBondContact O-N 2.8Å; W142-R145 WeakPolarHBondContact O-CB 3.38Å; W142-R145 PolarHBondContact O-N 2.8Å; W142-R145 VanDerWaalsContact O-N 3.14Å; W142-W146 AromaticContact CD1-CD1 3.81Å; W142-W146 AromaticContact CD1-NE1 3.72Å; W142-W146 AromaticContact CD2-CD1 3.41Å; W142-W146 VanDerWaalsContact CD2-CD1 3.41Å; W142-W146 HydrophobicContact CD2-CG 4.19Å; W142-W146 AromaticContact CD2-NE1 3.85Å; W142-W146 AromaticContact CE2-CD1 3.1Å; W142-W146 AromaticContact CE2-CE2 3.8Å; W142-W146 AromaticContact CE2-CG 3.88Å; W142-W146 AromaticContact CE2-NE1 3.05Å; W142-W146 AromaticContact CE3-CD1 3.96Å; W142-W146 HydrophobicContact CE3-CG 4.34Å; W142-W146 AromaticContact CG-CD1 3.86Å; W142-W146 HydrophobicContact CH2-CB 4.37Å; W142-W146 AromaticContact CH2-CD1 3.92Å; W142-W146 HydrophobicContact CH2-CD2 4.11Å; W142-W146 AromaticContact CH2-CG 3.87Å; W142-W146 HydrophobicContact CH2-CG 3.87Å; W142-W146 AromaticContact CZ2-CD1 3.4Å; W142-W146 AromaticContact CZ2-CD2 3.8Å; W142-W146 HydrophobicContact CZ2-CD2 3.8Å; W142-W146 AromaticContact CZ2-CE2 3.48Å; W142-W146 VanDerWaalsContact CZ2-CE2 3.48Å; W142-W146 AromaticContact CZ2-CG 3.72Å; W142-W146 HydrophobicContact CZ2-CG 3.72Å; W142-W146 HydrophobicContact CZ2-CZ2 4.15Å; W142-W146 AromaticContact CZ2-NE1 3.25Å; W142-W146 VanDerWaalsContact CZ2-NE1 3.25Å; W142-W146 HydrophobicContact CZ3-CB 4.31Å; W142-W146 HydrophobicContact CZ3-CG 4.18Å; W142-W146 AromaticContact NE1-CD1 3.39Å; W142-W146 AromaticContact NE1-CE2 3.96Å; W142-W146 AromaticContact NE1-NE1 2.99Å; W142-W146 VanDerWaalsContact O-CD1 3.25Å; W142-W146 PolarHBondContact O-N 2.71Å
143	I	60.7	Low	70.5	Confident	112 Å²	112	81.7 Å²	81.7	57%	0.574	39%	0.392	S	S	*	.	H	α-helix	trans	-64.1	-34.6	-179	-150.3	152.8	0	0	0	113	K141 W146 N147	K141-I143 HydrophobicContact CB-CG2 4.23Å; K141-I143 PolarHBondContact O-N 3.5Å; K141-I143 VanDerWaalsContact O-N 3.16Å; I143-W146 CarbonylContact O-C 3.59Å; I143-W146 PolarHBondContact O-N 3.06Å; I143-N147 WeakPolarHBondContact O-CB 3.47Å; I143-N147 PolarHBondContact O-N 2.77Å
144	D	64.2	Low	70.3	Confident	31 Å²	31	81.8 Å²	81.8	17%	0.166	39%	0.393	C	S	.	.	H	α-helix	trans	-72.7	-36	177.7	-61.6	-30.3	0	0	0	110.1	H68 T140 K141 W142 W146 N147 S150 D152	H68-D144 PolarHBondContact NE2-O 3.09Å; H68-D144 VanDerWaalsContact NE2-O 3.15Å; T140-D144 HydrophobicContact CG2-CB 4.14Å; K141-D144 PolarHBondContact O-N 2.97Å; W142-D144 VanDerWaalsContact C-N 3.29Å; W142-D144 PolarHBondContact O-N 2.8Å; D144-W146 VanDerWaalsContact C-N 3.26Å; D144-W146 PolarHBondContact O-N 3.05Å; D144-N147 PolarHBondContact O-N 2.8Å; D144-S150 WeakPolarHBondContact O-CB 3.38Å; D144-D152 HydrophobicContact CB-CB 4.11Å
145	R	62	Low	70.2	Confident	87 Å²	87	82 Å²	82	33%	0.328	40%	0.397	S	S	.	.	H	α-helix	trans	-66	-27.8	172.2	-61.8	-174.5	-176.8	163.8	5.9	112.9	H68 W69 L137 E138 T140 K141 W142	H68-R145 PolarHBondContact CD2-O 3.19Å; H68-R145 PolarHBondContact NE2-O 2.78Å; W69-R145 PolarHBondContact NE1-O 2.79Å; L137-R145 PolarHBondContact O-NH2 2.76Å; E138-R145 PolarHBondContact O-NH2 2.78Å; T140-R145 HydrophobicContact CG2-CG 3.98Å; T140-R145 PolarHBondContact O-NE 2.85Å; K141-R145 PolarHBondContact O-N 2.89Å; W142-R145 WeakPolarHBondContact O-CB 3.38Å; W142-R145 PolarHBondContact O-N 2.8Å; W142-R145 VanDerWaalsContact O-N 3.14Å
146	W	59.5	Low	70.6	Confident	109 Å²	109	80.8 Å²	80.8	41%	0.413	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.2	179.7	-81.4	83.9	0	0	0	114.3	W69 W142 I143 D144 P148	W69-W146 HydrophobicContact CZ2-CE3 4.46Å; W69-W146 VanDerWaalsContact CZ2-O 3.24Å; W69-W146 WeakPolarHBondContact CZ2-O 3.47Å; W142-W146 AromaticContact CD1-CD1 3.81Å; W142-W146 AromaticContact CD1-NE1 3.72Å; W142-W146 AromaticContact CD2-CD1 3.41Å; W142-W146 VanDerWaalsContact CD2-CD1 3.41Å; W142-W146 HydrophobicContact CD2-CG 4.19Å; W142-W146 AromaticContact CD2-NE1 3.85Å; W142-W146 AromaticContact CE2-CD1 3.1Å; W142-W146 AromaticContact CE2-CE2 3.8Å; W142-W146 AromaticContact CE2-CG 3.88Å; W142-W146 AromaticContact CE2-NE1 3.05Å; W142-W146 AromaticContact CE3-CD1 3.96Å; W142-W146 HydrophobicContact CE3-CG 4.34Å; W142-W146 AromaticContact CG-CD1 3.86Å; W142-W146 HydrophobicContact CH2-CB 4.37Å; W142-W146 AromaticContact CH2-CD1 3.92Å; W142-W146 HydrophobicContact CH2-CD2 4.11Å; W142-W146 AromaticContact CH2-CG 3.87Å; W142-W146 HydrophobicContact CH2-CG 3.87Å; W142-W146 AromaticContact CZ2-CD1 3.4Å; W142-W146 AromaticContact CZ2-CD2 3.8Å; W142-W146 HydrophobicContact CZ2-CD2 3.8Å; W142-W146 AromaticContact CZ2-CE2 3.48Å; W142-W146 VanDerWaalsContact CZ2-CE2 3.48Å; W142-W146 AromaticContact CZ2-CG 3.72Å; W142-W146 HydrophobicContact CZ2-CG 3.72Å; W142-W146 HydrophobicContact CZ2-CZ2 4.15Å; W142-W146 AromaticContact CZ2-NE1 3.25Å; W142-W146 VanDerWaalsContact CZ2-NE1 3.25Å; W142-W146 HydrophobicContact CZ3-CB 4.31Å; W142-W146 HydrophobicContact CZ3-CG 4.18Å; W142-W146 AromaticContact NE1-CD1 3.39Å; W142-W146 AromaticContact NE1-CE2 3.96Å; W142-W146 AromaticContact NE1-NE1 2.99Å; W142-W146 VanDerWaalsContact O-CD1 3.25Å; W142-W146 PolarHBondContact O-N 2.71Å; I143-W146 CarbonylContact O-C 3.59Å; I143-W146 PolarHBondContact O-N 3.06Å; D144-W146 VanDerWaalsContact C-N 3.26Å; D144-W146 PolarHBondContact O-N 3.05Å; W146-P148 WeakPolarHBondContact O-CD 3.47Å
147	N	64.8	Low	71.3	Confident	66 Å²	66	75.1 Å²	75.1	35%	0.353	36%	0.356	S	S	.	.			trans	-101.6	106.9	174.4	176.6	5.1	0	0	0	109.4	H68 I143 D144 I149 S150	H68-N147 PolarHBondContact CE1-O 2.81Å; H68-N147 PolarHBondContact NE2-O 2.8Å; H68-N147 VanDerWaalsContact NE2-O 3.09Å; I143-N147 WeakPolarHBondContact O-CB 3.47Å; I143-N147 PolarHBondContact O-N 2.77Å; D144-N147 PolarHBondContact O-N 2.8Å; N147-I149 PolarHBondContact O-N 2.88Å; N147-I149 WeakPolarHBondContact OD1-CB 3.44Å; N147-I149 PolarHBondContact OD1-N 2.86Å; N147-S150 WeakPolarHBondContact O-CB 3.35Å; N147-S150 PolarHBondContact O-N 3.11Å; N147-S150 PolarHBondContact OD1-N 2.97Å
148	P	55.7	Low	72.2	Confident	51 Å²	51	72.7 Å²	72.7	33%	0.331	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.1	-177.4	23.9	-33	0	0	0	113.9	N67 W69 W146	N67-P148 PolarHBondContact ND2-O 3.39Å; W69-P148 HydrophobicContact CD2-CB 3.75Å; W69-P148 HydrophobicContact CE3-CB 4.07Å; W69-P148 HydrophobicContact CG-CB 4.02Å; W69-P148 HydrophobicContact CZ2-CB 4.46Å; W69-P148 HydrophobicContact CZ2-CG 4.43Å; W146-P148 WeakPolarHBondContact O-CD 3.47Å
149	I	61.2	Low	73.3	Confident	141 Å²	141	64.5 Å²	64.5	72%	0.723	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-14.7	178.3	-54.6	168.9	0	0	0	111.2	N147 Q151	N147-I149 PolarHBondContact O-N 2.88Å; N147-I149 WeakPolarHBondContact OD1-CB 3.44Å; N147-I149 PolarHBondContact OD1-N 2.86Å; I149-Q151 PolarHBondContact O-N 2.92Å
150	S	62.3	Low	74.6	Confident	11 Å²	11	57.6 Å²	57.6	8%	0.077	27%	0.273	C	S	.	.			trans	-59.7	129.2	180	175.1	0	0	0	0	110.1	H68 D144 N147 D152	H68-S150 PolarHBondContact CE1-O 2.9Å; D144-S150 WeakPolarHBondContact O-CB 3.38Å; N147-S150 WeakPolarHBondContact O-CB 3.35Å; N147-S150 PolarHBondContact O-N 3.11Å; N147-S150 PolarHBondContact OD1-N 2.97Å; S150-D152 WeakPolarHBondContact OG-CB 3.42Å; S150-D152 PolarHBondContact OG-N 3.45Å; S150-D152 PolarHBondContact OG-OD2 2.89Å
151	Q	67.6	Low	75.9	Confident	70 Å²	70	56.9 Å²	56.9	33%	0.327	27%	0.269	S	S	.	.			trans	-100.8	10.9	172.5	-58.9	-170.9	-3.3	0	0	110.6	K99 I149	K99-Q151 HydrophobicContact CD-CB 4.42Å; K99-Q151 PolarHBondContact NZ-O 3.49Å; I149-Q151 PolarHBondContact O-N 2.92Å
152	D	72.9	Confident	77.2	Confident	97 Å²	97	50.4 Å²	50.4	52%	0.519	24%	0.242	S	C	.	.			trans	-82.8	-16.9	-168.8	-57.9	-56.6	0	0	0	113.1	D144 S150 P154	D144-D152 HydrophobicContact CB-CB 4.11Å; S150-D152 WeakPolarHBondContact OG-CB 3.42Å; S150-D152 PolarHBondContact OG-N 3.45Å; S150-D152 PolarHBondContact OG-OD2 2.89Å; D152-P154 WeakPolarHBondContact O-CD 3.31Å; D152-P154 VanDerWaalsContact O-N 3.16Å
153	V	84.1	Confident	78.6	Confident	19 Å²	19	42.2 Å²	42.2	12%	0.115	21%	0.211	C	C	.	.	S	Bend	trans	-56.2	121.3	170.8	-169	0	0	0	0	108.8	H68 L137 T140 M155	H68-V153 HydrophobicContact CB-CG2 3.9Å; L137-V153 HydrophobicContact CD2-CG1 4.31Å; T140-V153 HydrophobicContact CG2-CG2 4.11Å; V153-M155 HydrophobicContact CG1-CB 4.27Å; V153-M155 PolarHBondContact O-N 2.93Å
154	P	90	Very high	80.1	Confident	15 Å²	15	38.9 Å²	38.9	10%	0.097	19%	0.192	C	C	.	.	S	Bend	trans	-83.6	46.3	-172.1	34.9	-36.4	0	0	0	112	W134 L137 T140 D152	W134-P154 PolarHBondContact N-O 3.35Å; L137-P154 HydrophobicContact CD2-CG 4.08Å; T140-P154 VanDerWaalsContact OG1-CD 3.26Å; T140-P154 WeakPolarHBondContact OG1-CD 3.46Å; D152-P154 WeakPolarHBondContact O-CD 3.31Å; D152-P154 VanDerWaalsContact O-N 3.16Å
155	M	92.1	Very high	81.3	Confident	41 Å²	41	38.8 Å²	38.8	20%	0.202	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.1	-176.8	141.1	-166.4	-55.4	0	0	109.8	Q131 I132 I133 W134 L137 V153 I157	Q131-M155 HydrophobicContact CG-CE 4.01Å; Q131-M155 HydrophobicContact CG-CG 4.38Å; I132-M155 CarbonylContact O-C 3.51Å; I132-M155 VanDerWaalsContact O-CA 3.22Å; I132-M155 WeakPolarHBondContact O-CA 3.36Å; I133-M155 HydrophobicContact CD1-CE 4.29Å; I133-M155 HydrophobicContact CG1-CB 4.37Å; I133-M155 HydrophobicContact CG1-CE 4.13Å; W134-M155 WeakPolarHBondContact CH2-O 3.42Å; L137-M155 HydrophobicContact CD1-CE 3.31Å; L137-M155 HydrophobicContact CD2-CB 3.68Å; L137-M155 HydrophobicContact CD2-CE 3.64Å; L137-M155 HydrophobicContact CD2-SD 4.47Å; L137-M155 HydrophobicContact CG-CE 4.11Å; V153-M155 HydrophobicContact CG1-CB 4.27Å; V153-M155 PolarHBondContact O-N 2.93Å; M155-I157 HydrophobicContact CG-CG1 4.26Å; M155-I157 HydrophobicContact SD-CD1 4.1Å; M155-I157 HydrophobicContact SD-CG1 4.15Å
156	I	94	Very high	82.5	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.8	159.5	-167	171.8	0	0	0	109.7	R65 I86 Q131 I132 W134 L158	R65-I156 HydrophobicContact CB-CD1 4.48Å; R65-I156 HydrophobicContact CG-CD1 4.01Å; R65-I156 HydrophobicContact CG-CG1 3.74Å; I86-I156 HydrophobicContact CB-CD1 4.36Å; I86-I156 HydrophobicContact CD1-CB 4.16Å; I86-I156 HydrophobicContact CD1-CD1 3.77Å; I86-I156 HydrophobicContact CD1-CG1 4.49Å; I86-I156 HydrophobicContact CD1-CG2 4.43Å; I86-I156 HydrophobicContact CG1-CD1 3.73Å; I86-I156 HydrophobicContact CG2-CD1 3.69Å; Q131-I156 CarbonylContact C-O 3.5Å; Q131-I156 WeakPolarHBondContact CA-O 3.44Å; I132-I156 HydrophobicContact CB-CG2 3.91Å; I132-I156 HydrophobicContact CD1-CG2 4.35Å; I132-I156 HydrophobicContact CG1-CG2 4.37Å; I132-I156 PolarHBondContact N-O 3.43Å; I132-I156 PolarHBondContact O-N 3.36Å; W134-I156 HydrophobicContact CH2-CB 3.95Å; W134-I156 HydrophobicContact CH2-CG2 4.22Å; W134-I156 HydrophobicContact CZ3-CB 4.01Å; W134-I156 HydrophobicContact CZ3-CG2 3.78Å; I156-L158 HydrophobicContact CD1-CD1 4.29Å; I156-L158 HydrophobicContact CD1-CD2 3.55Å; I156-L158 HydrophobicContact CD1-CG 3.91Å; I156-L158 HydrophobicContact CG1-CD2 4Å; I156-L158 HydrophobicContact CG1-CG 4Å; I156-L158 HydrophobicContact CG2-CD1 4.34Å; I156-L158 HydrophobicContact CG2-CG 4.36Å
157	I	95.1	Very high	83.7	Confident	8 Å²	8	36.3 Å²	36.3	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128	167.2	-59.3	174.2	0	0	0	107.5	R65 I66 L114 V130 Q131 M155 I201 L203	R65-I157 CarbonylContact C-O 3.58Å; R65-I157 VanDerWaalsContact CA-O 3.26Å; R65-I157 WeakPolarHBondContact CA-O 3.47Å; I66-I157 HydrophobicContact CB-CB 4.09Å; I66-I157 HydrophobicContact CB-CG2 4.03Å; I66-I157 HydrophobicContact CD1-CG2 4.11Å; I66-I157 HydrophobicContact CG1-CG2 4.43Å; I66-I157 PolarHBondContact N-O 3.32Å; L114-I157 HydrophobicContact CD2-CG2 3.68Å; V130-I157 CarbonylContact O-C 3.48Å; V130-I157 VanDerWaalsContact O-CA 3.23Å; V130-I157 WeakPolarHBondContact O-CA 3.14Å; Q131-I157 HydrophobicContact CB-CG1 4.22Å; Q131-I157 HydrophobicContact CG-CG1 4.11Å; M155-I157 HydrophobicContact CG-CG1 4.26Å; M155-I157 HydrophobicContact SD-CD1 4.1Å; M155-I157 HydrophobicContact SD-CG1 4.15Å; I157-I201 HydrophobicContact CD1-CG2 3.72Å; I157-I201 HydrophobicContact CG1-CG2 4.19Å; I157-I201 HydrophobicContact CG2-CG2 4.39Å; I157-L203 HydrophobicContact CD1-CD2 3.52Å
158	L	95.7	Very high	84.7	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.1	-176.5	-66.6	170	0	0	0	110.6	L63 T64 R65 T75 V77 G129 V130 I156	L63-L158 HydrophobicContact CB-CD2 4.27Å; L63-L158 HydrophobicContact CD1-CB 4.48Å; L63-L158 HydrophobicContact CD1-CD1 4.19Å; L63-L158 HydrophobicContact CD1-CD2 4.42Å; T64-L158 CarbonylContact O-C 3.6Å; T64-L158 VanDerWaalsContact O-CA 3.3Å; T64-L158 WeakPolarHBondContact O-CA 3.32Å; R65-L158 HydrophobicContact CB-CD2 4.3Å; T75-L158 HydrophobicContact CG2-CD2 3.72Å; V77-L158 HydrophobicContact CG2-CD1 3.95Å; V77-L158 HydrophobicContact CG2-CD2 3.98Å; G129-L158 CarbonylContact C-O 3.58Å; G129-L158 VanDerWaalsContact CA-O 3.3Å; G129-L158 WeakPolarHBondContact CA-O 3.44Å; V130-L158 HydrophobicContact CB-CB 4.46Å; V130-L158 PolarHBondContact N-O 3.1Å; V130-L158 PolarHBondContact O-N 3.11Å; I156-L158 HydrophobicContact CD1-CD1 4.29Å; I156-L158 HydrophobicContact CD1-CD2 3.55Å; I156-L158 HydrophobicContact CD1-CG 3.91Å; I156-L158 HydrophobicContact CG1-CD2 4Å; I156-L158 HydrophobicContact CG1-CG 4Å; I156-L158 HydrophobicContact CG2-CD1 4.34Å; I156-L158 HydrophobicContact CG2-CG 4.36Å
159	H	94.9	Very high	86	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.028	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	176.8	162.8	63.8	88.7	0	0	0	110.1	T64 E72 Y127 H161	T64-H159 WeakPolarHBondContact CB-CE1 3.43Å; T64-H159 WeakPolarHBondContact CB-NE2 3.26Å; T64-H159 WeakPolarHBondContact CG2-CE1 3.27Å; T64-H159 WeakPolarHBondContact CG2-NE2 3.4Å; T64-H159 PolarHBondContact N-O 3.28Å; T64-H159 PolarHBondContact O-N 3.2Å; E72-H159 IonicContact OE2-CE1 2.71Å; E72-H159 IonicContact OE2-NE2 2.83Å; Y127-H159 HydrophobicContact CD2-CB 4.41Å; Y127-H159 HydrophobicContact CE2-CB 4.37Å; Y127-H159 AromaticContact CE2-CD2 3.86Å; Y127-H159 AromaticContact CE2-CE1 3.96Å; Y127-H159 AromaticContact CE2-CG 3.83Å; Y127-H159 AromaticContact CE2-ND1 3.94Å; Y127-H159 AromaticContact CE2-NE2 3.94Å; H159-H161 PolarHBondContact O-N 3.45Å
160	H	94.6	Very high	87.4	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.186	C	C	.	.			trans	-54.9	139.8	179.2	-55.6	-93.1	0	0	0	111.2	I19 F164 Y165 N177 C178 D179	I19-H160 WeakPolarHBondContact CB-NE2 3.41Å; H160-F164 HydrophobicContact CB-CB 4.03Å; H160-F164 HydrophobicContact CB-CD1 3.84Å; H160-F164 HydrophobicContact CB-CG 4.14Å; H160-F164 AromaticContact CE1-CE1 3.79Å; H160-F164 AromaticContact CG-CD1 3.7Å; H160-F164 AromaticContact ND1-CD1 3.4Å; H160-F164 WeakPolarHBondContact ND1-CD1 3.17Å; H160-F164 AromaticContact ND1-CE1 3.46Å; H160-F164 WeakPolarHBondContact ND1-CE1 3.26Å; H160-F164 AromaticContact ND1-CG 3.83Å; H160-F164 AromaticContact ND1-CZ 3.96Å; H160-Y165 HydrophobicContact CB-CE2 3.95Å; H160-Y165 WeakPolarHBondContact CB-OH 3.41Å; H160-Y165 PolarHBondContact CD2-OH 3.4Å; H160-Y165 VanDerWaalsContact CD2-OH 3.3Å; H160-N177 PolarHBondContact CE1-OD1 3.46Å; H160-N177 PolarHBondContact ND1-OD1 2.9Å; H160-C178 HydrophobicContact CB-CB 4.47Å; H160-C178 PolarHBondContact ND1-N 2.84Å; H160-C178 VanDerWaalsContact ND1-N 3.11Å; H160-D179 IonicContact CE1-OD2 3.77Å; H160-D179 PolarHBondContact CE1-OD2 3.34Å; H160-D179 VanDerWaalsContact CE1-OD2 3.31Å; H160-D179 IonicContact NE2-OD2 3.06Å
161	H	94.2	Very high	88.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.219	C	C	.	.			trans	-68.2	146.9	171.2	-176.6	-94.1	0	0	0	110.3	Y31 C33 V62 E74 H159 C163 F164 Y176 F221	Y31-H161 AromaticContact CD1-CE1 3.6Å; Y31-H161 AromaticContact CD1-NE2 3.83Å; C33-H161 VanDerWaalsContact SG-CE1 3.53Å; V62-H161 WeakPolarHBondContact O-CB 3.21Å; E74-H161 IonicContact OE2-CD2 3.87Å; E74-H161 IonicContact OE2-CE1 2.76Å; E74-H161 IonicContact OE2-NE2 3.98Å; E74-H161 PolarHBondContact OE2-NE2 2.84Å; H159-H161 PolarHBondContact O-N 3.45Å; H161-C163 PolarHBondContact CE1-SG 3.11Å; H161-C163 WeakPolarHBondContact ND1-CB 3.27Å; H161-C163 PolarHBondContact ND1-N 2.9Å; H161-C163 VanDerWaalsContact ND1-N 3.15Å; H161-C163 PolarHBondContact ND1-SG 3.26Å; H161-C163 PolarHBondContact O-N 3.05Å; H161-F164 WeakPolarHBondContact O-CB 3.26Å; H161-F164 PolarHBondContact O-N 3.31Å; H161-Y176 HydrophobicContact CB-CD1 3.95Å; H161-Y176 HydrophobicContact CB-CG 4.4Å; H161-Y176 AromaticContact CG-CD1 3.93Å; H161-Y176 PolarHBondContact N-O 2.84Å; H161-Y176 AromaticContact ND1-CD1 3.65Å; H161-F221 AromaticContact CD2-CD1 3.97Å; H161-F221 AromaticContact CD2-CE1 3.74Å; H161-F221 AromaticContact NE2-CD1 3.45Å; H161-F221 WeakPolarHBondContact NE2-CD1 3.5Å; H161-F221 AromaticContact NE2-CE1 3.67Å
162	P	91.9	Very high	89.6	Confident	14 Å²	14	38 Å²	38	9%	0.091	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-49.5	-35.8	178.7	-32.4	36.3	0	0	0	114.5	V26 Y31 T64 F164 Y165 F221	V26-P162 HydrophobicContact CB-CB 4.37Å; V26-P162 WeakPolarHBondContact CB-O 3.19Å; V26-P162 HydrophobicContact CG1-CB 3.58Å; V26-P162 HydrophobicContact CG2-CB 3.95Å; V26-P162 WeakPolarHBondContact CG2-O 3.21Å; Y31-P162 HydrophobicContact CE1-CB 4.17Å; Y31-P162 HydrophobicContact CE1-CG 4.2Å; Y31-P162 HydrophobicContact CE2-CB 4.36Å; T64-P162 WeakPolarHBondContact OG1-CD 3.22Å; P162-F164 PolarHBondContact O-N 3.06Å; P162-Y165 PolarHBondContact O-N 3.09Å; P162-F221 VanDerWaalsContact CD-CE1 3.47Å; P162-F221 HydrophobicContact CG-CD1 4.41Å; P162-F221 HydrophobicContact CG-CE1 3.73Å; P162-F221 HydrophobicContact CG-CZ 3.85Å
163	C	92.6	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.5	177.3	-65.4	0	0	0	0	114	C28 H161 Y165 S166 L170 Y176	C28-C163 HydrophobicContact CB-CB 4.49Å; H161-C163 PolarHBondContact CE1-SG 3.11Å; H161-C163 WeakPolarHBondContact ND1-CB 3.27Å; H161-C163 PolarHBondContact ND1-N 2.9Å; H161-C163 VanDerWaalsContact ND1-N 3.15Å; H161-C163 PolarHBondContact ND1-SG 3.26Å; H161-C163 PolarHBondContact O-N 3.05Å; C163-Y165 PolarHBondContact O-N 3.23Å; C163-S166 VanDerWaalsContact O-CB 3.26Å; C163-S166 WeakPolarHBondContact O-CB 2.78Å; C163-S166 PolarHBondContact O-N 3.33Å; C163-S166 VanDerWaalsContact O-N 3.11Å; C163-L170 HydrophobicContact CB-CD1 3.97Å; C163-Y176 HydrophobicContact CB-CD1 4Å; C163-Y176 HydrophobicContact CB-CD2 3.73Å; C163-Y176 HydrophobicContact CB-CE1 4.13Å; C163-Y176 HydrophobicContact CB-CE2 3.87Å; C163-Y176 HydrophobicContact CB-CG 3.8Å
164	F	92.4	Very high	91.1	Very high	41 Å²	41	40.7 Å²	40.7	18%	0.18	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61.3	-30.7	172.8	-177	-108.8	0	0	0	112.3	H160 H161 P162 S166 K173 Y176 N177	H160-F164 HydrophobicContact CB-CB 4.03Å; H160-F164 HydrophobicContact CB-CD1 3.84Å; H160-F164 HydrophobicContact CB-CG 4.14Å; H160-F164 AromaticContact CE1-CE1 3.79Å; H160-F164 AromaticContact CG-CD1 3.7Å; H160-F164 AromaticContact ND1-CD1 3.4Å; H160-F164 WeakPolarHBondContact ND1-CD1 3.17Å; H160-F164 AromaticContact ND1-CE1 3.46Å; H160-F164 WeakPolarHBondContact ND1-CE1 3.26Å; H160-F164 AromaticContact ND1-CG 3.83Å; H160-F164 AromaticContact ND1-CZ 3.96Å; H161-F164 WeakPolarHBondContact O-CB 3.26Å; H161-F164 PolarHBondContact O-N 3.31Å; P162-F164 PolarHBondContact O-N 3.06Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-K173 HydrophobicContact CD2-CG 4.39Å; F164-K173 WeakPolarHBondContact O-CE 3.44Å; F164-K173 PolarHBondContact O-NZ 2.83Å; F164-Y176 WeakPolarHBondContact CB-O 3.47Å; F164-N177 HydrophobicContact CD2-CB 3.76Å; F164-N177 HydrophobicContact CE2-CB 3.55Å; F164-N177 WeakPolarHBondContact CE2-ND2 3.48Å; F164-N177 HydrophobicContact CZ-CB 4.39Å
165	Y	89	Confident	91.4	Very high	30 Å²	30	40 Å²	40	12%	0.118	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-89.9	6	178.7	-52.3	-62.8	0	0	0	113.2	P21 A22 H160 P162 C163	P21-Y165 HydrophobicContact CB-CD1 4.06Å; P21-Y165 HydrophobicContact CB-CE1 3.46Å; P21-Y165 VanDerWaalsContact CB-CE1 3.46Å; A22-Y165 HydrophobicContact CB-CD2 4.03Å; A22-Y165 HydrophobicContact CB-CE1 4.29Å; A22-Y165 HydrophobicContact CB-CE2 3.63Å; A22-Y165 HydrophobicContact CB-CG 4.47Å; A22-Y165 VanDerWaalsContact N-CE1 3.29Å; A22-Y165 VanDerWaalsContact N-CZ 3.28Å; A22-Y165 PolarHBondContact N-OH 2.94Å; H160-Y165 HydrophobicContact CB-CE2 3.95Å; H160-Y165 WeakPolarHBondContact CB-OH 3.41Å; H160-Y165 PolarHBondContact CD2-OH 3.4Å; H160-Y165 VanDerWaalsContact CD2-OH 3.3Å; P162-Y165 PolarHBondContact O-N 3.09Å; C163-Y165 PolarHBondContact O-N 3.23Å
166	S	87.5	Confident	91.6	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	21%	0.212	C	C	.	.			trans	-67.5	138.4	178.8	-163.4	0	0	0	0	112	V26 C28 C163 F164 D168 K173	V26-S166 PolarHBondContact O-OG 3.34Å; C28-S166 WeakPolarHBondContact CB-OG 3.43Å; C28-S166 PolarHBondContact SG-OG 3Å; C163-S166 VanDerWaalsContact O-CB 3.26Å; C163-S166 WeakPolarHBondContact O-CB 2.78Å; C163-S166 PolarHBondContact O-N 3.33Å; C163-S166 VanDerWaalsContact O-N 3.11Å; F164-S166 VanDerWaalsContact C-N 3.3Å; S166-D168 PolarHBondContact OG-N 3.18Å; S166-K173 PolarHBondContact O-NZ 2.91Å
167	L	84.6	Confident	91.6	Very high	142 Å²	142	38.8 Å²	38.8	74%	0.743	22%	0.215	S	C	*	.	S	Bend	trans	-80.2	-21.4	170.4	-61.5	-178.4	0	0	0	112.1	F25	F25-L167 HydrophobicContact CD2-CD1 3.84Å; F25-L167 HydrophobicContact CD2-CG 4.31Å; F25-L167 HydrophobicContact CE2-CD1 3.92Å; F25-L167 HydrophobicContact CE2-CG 4.38Å
168	D	85.6	Confident	91.7	Very high	57 Å²	57	38.5 Å²	38.5	31%	0.305	21%	0.214	S	C	.	.	S	Bend	trans	-69.8	140.7	175.4	-70.9	-34.2	0	0	0	109.5	K29 S166 L170	K29-D168 WeakPolarHBondContact CE-OD2 3.41Å; S166-D168 PolarHBondContact OG-N 3.18Å; D168-L170 PolarHBondContact O-N 2.88Å
169	P	84.6	Confident	91.7	Very high	127 Å²	127	39.5 Å²	39.5	83%	0.825	22%	0.219	S	C	*	.			trans	-66.9	121	176	27.5	-32.9	0	0	0	109.8
170	L	89	Confident	91.7	Very high	36 Å²	36	42.5 Å²	42.5	19%	0.188	24%	0.235	C	C	.	.			trans	-113.6	129.2	174.1	-63.4	177.3	0	0	0	108.3	C28 I34 C163 D168 D172 K173 Y176	C28-L170 HydrophobicContact CB-CD1 4.28Å; I34-L170 HydrophobicContact CB-CD2 4.46Å; I34-L170 HydrophobicContact CG2-CD2 4.41Å; C163-L170 HydrophobicContact CB-CD1 3.97Å; D168-L170 PolarHBondContact O-N 2.88Å; L170-D172 VanDerWaalsContact C-N 3.31Å; L170-D172 PolarHBondContact O-N 3.04Å; L170-K173 HydrophobicContact CB-CB 4.29Å; L170-Y176 HydrophobicContact CD1-CD2 4.27Å; L170-Y176 HydrophobicContact CD1-CE2 3.97Å
171	S	86.3	Confident	91.9	Very high	110 Å²	110	42.5 Å²	42.5	77%	0.769	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-42.4	-179.2	52.1	0	0	0	0	112.3
172	D	91.6	Very high	91.9	Very high	43 Å²	43	43.2 Å²	43.2	23%	0.23	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	41.9	-174.6	-64.6	-66.8	0	0	0	111.8	T37 K38 L170 D174 M175	T37-D172 WeakPolarHBondContact CA-OD2 3.39Å; T37-D172 WeakPolarHBondContact CB-OD2 3.18Å; K38-D172 HydrophobicContact CB-CB 4.1Å; K38-D172 PolarHBondContact N-OD2 3.15Å; K38-D172 VanDerWaalsContact N-OD2 3.12Å; L170-D172 VanDerWaalsContact C-N 3.31Å; L170-D172 PolarHBondContact O-N 3.04Å; D172-D174 PolarHBondContact O-N 2.71Å; D172-D174 VanDerWaalsContact O-N 3.09Å; D172-M175 HydrophobicContact CB-CB 4.32Å; D172-M175 WeakPolarHBondContact O-CB 3.49Å; D172-M175 PolarHBondContact O-N 2.9Å
173	K	92.8	Very high	92.2	Very high	76 Å²	76	46.4 Å²	46.4	33%	0.33	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-55.4	-32	-177.1	-167.9	167.2	-178.7	167.6	0	113	F164 S166 L170 M175 Y176	F164-K173 HydrophobicContact CD2-CG 4.39Å; F164-K173 WeakPolarHBondContact O-CE 3.44Å; F164-K173 PolarHBondContact O-NZ 2.83Å; S166-K173 PolarHBondContact O-NZ 2.91Å; L170-K173 HydrophobicContact CB-CB 4.29Å; K173-M175 PolarHBondContact O-N 3.45Å; K173-Y176 WeakPolarHBondContact O-CB 3.48Å; K173-Y176 PolarHBondContact O-N 3.41Å
174	D	94.7	Very high	92.4	Very high	97 Å²	97	47.5 Å²	47.5	52%	0.519	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25.9	176.1	-76.1	-14.6	0	0	0	113.8	D172 Y176 N177 L180	D172-D174 PolarHBondContact O-N 2.71Å; D172-D174 VanDerWaalsContact O-N 3.09Å; D174-Y176 PolarHBondContact O-N 3.44Å; D174-N177 WeakPolarHBondContact O-CB 3.45Å; D174-N177 PolarHBondContact O-N 3.06Å; D174-N177 VanDerWaalsContact O-N 3.1Å; D174-L180 HydrophobicContact CB-CD1 3.52Å
175	M	96.3	Very high	92.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61	-25.6	173	-173.3	174.7	66.5	0	0	111.8	K38 L41 W61 V62 D172 K173	K38-M175 HydrophobicContact CB-SD 4.05Å; K38-M175 HydrophobicContact CD-CB 4.34Å; K38-M175 HydrophobicContact CG-CG 4.45Å; K38-M175 HydrophobicContact CG-SD 4.22Å; L41-M175 HydrophobicContact CD2-CE 4.49Å; L41-M175 HydrophobicContact CD2-SD 3.76Å; W61-M175 CarbonylContact C-O 3.59Å; W61-M175 VanDerWaalsContact CA-O 3.25Å; W61-M175 WeakPolarHBondContact CA-O 3.23Å; W61-M175 WeakPolarHBondContact CB-O 3.3Å; V62-M175 HydrophobicContact CB-CG 4.44Å; V62-M175 HydrophobicContact CG2-CE 4.05Å; V62-M175 HydrophobicContact CG2-CG 4.06Å; V62-M175 HydrophobicContact CG2-SD 3.98Å; V62-M175 PolarHBondContact N-O 3.06Å; D172-M175 HydrophobicContact CB-CB 4.32Å; D172-M175 WeakPolarHBondContact O-CB 3.49Å; D172-M175 PolarHBondContact O-N 2.9Å; K173-M175 PolarHBondContact O-N 3.45Å
176	Y	95.8	Very high	93	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.016	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-94.2	0.8	-179.8	-53.9	-60.7	0	0	0	113.5	C33 I34 V62 H161 C163 F164 L170 K173 D174	C33-Y176 HydrophobicContact CB-CE1 4.4Å; C33-Y176 PolarHBondContact O-OH 2.06Å; I34-Y176 WeakPolarHBondContact CA-OH 3.45Å; V62-Y176 HydrophobicContact CB-CD1 3.97Å; V62-Y176 HydrophobicContact CB-CE1 3.96Å; V62-Y176 HydrophobicContact CG1-CD1 4.38Å; V62-Y176 HydrophobicContact CG1-CE1 4.26Å; V62-Y176 WeakPolarHBondContact O-CA 3.22Å; H161-Y176 HydrophobicContact CB-CD1 3.95Å; H161-Y176 HydrophobicContact CB-CG 4.4Å; H161-Y176 AromaticContact CG-CD1 3.93Å; H161-Y176 PolarHBondContact N-O 2.84Å; H161-Y176 AromaticContact ND1-CD1 3.65Å; C163-Y176 HydrophobicContact CB-CD1 4Å; C163-Y176 HydrophobicContact CB-CD2 3.73Å; C163-Y176 HydrophobicContact CB-CE1 4.13Å; C163-Y176 HydrophobicContact CB-CE2 3.87Å; C163-Y176 HydrophobicContact CB-CG 3.8Å; F164-Y176 WeakPolarHBondContact CB-O 3.47Å; L170-Y176 HydrophobicContact CD1-CD2 4.27Å; L170-Y176 HydrophobicContact CD1-CE2 3.97Å; K173-Y176 WeakPolarHBondContact O-CB 3.48Å; K173-Y176 PolarHBondContact O-N 3.41Å; D174-Y176 PolarHBondContact O-N 3.44Å
177	N	95.1	Very high	93.4	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.091	30%	0.3	C	S	.	.			trans	-92.6	111.8	-171.6	-169.8	-10.4	0	0	0	112.4	H160 F164 D174 D179 L180 A181	H160-N177 PolarHBondContact CE1-OD1 3.46Å; H160-N177 PolarHBondContact ND1-OD1 2.9Å; F164-N177 HydrophobicContact CD2-CB 3.76Å; F164-N177 HydrophobicContact CE2-CB 3.55Å; F164-N177 WeakPolarHBondContact CE2-ND2 3.48Å; F164-N177 HydrophobicContact CZ-CB 4.39Å; D174-N177 WeakPolarHBondContact O-CB 3.45Å; D174-N177 PolarHBondContact O-N 3.06Å; D174-N177 VanDerWaalsContact O-N 3.1Å; N177-D179 VanDerWaalsContact C-N 3.33Å; N177-D179 PolarHBondContact O-N 3.35Å; N177-D179 WeakPolarHBondContact OD1-CB 3.03Å; N177-D179 PolarHBondContact OD1-N 3.39Å; N177-L180 HydrophobicContact CB-CB 4.4Å; N177-L180 HydrophobicContact CB-CD1 4.03Å; N177-L180 HydrophobicContact CB-CG 4.1Å; N177-L180 PolarHBondContact O-N 3Å; N177-A181 PolarHBondContact O-N 2.83Å
178	C	96.1	Very high	94	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-27.4	178.5	-163.8	0	0	0	0	113.4	I19 L63 H160 L180 A181 I182	I19-C178 HydrophobicContact CD1-CB 4.19Å; L63-C178 HydrophobicContact CD2-CB 4.06Å; H160-C178 HydrophobicContact CB-CB 4.47Å; H160-C178 PolarHBondContact ND1-N 2.84Å; H160-C178 VanDerWaalsContact ND1-N 3.11Å; C178-L180 VanDerWaalsContact C-N 3.3Å; C178-L180 PolarHBondContact O-N 3.41Å; C178-A181 PolarHBondContact O-N 3.5Å; C178-I182 WeakPolarHBondContact O-CG2 3.45Å; C178-I182 PolarHBondContact O-N 2.87Å
179	D	95.3	Very high	94.6	Very high	24 Å²	24	44.8 Å²	44.8	13%	0.128	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-36.8	176.8	-68.3	-53.1	0	0	0	111.4	I19 H160 N177 I182 S183	I19-D179 WeakPolarHBondContact CG1-OD1 3.27Å; I19-D179 PolarHBondContact N-OD1 2.84Å; H160-D179 IonicContact CE1-OD2 3.77Å; H160-D179 PolarHBondContact CE1-OD2 3.34Å; H160-D179 VanDerWaalsContact CE1-OD2 3.31Å; H160-D179 IonicContact NE2-OD2 3.06Å; N177-D179 VanDerWaalsContact C-N 3.33Å; N177-D179 PolarHBondContact O-N 3.35Å; N177-D179 WeakPolarHBondContact OD1-CB 3.03Å; N177-D179 PolarHBondContact OD1-N 3.39Å; D179-I182 VanDerWaalsContact O-CG2 3.24Å; D179-I182 WeakPolarHBondContact O-CG2 3.12Å; D179-S183 VanDerWaalsContact O-CB 3.31Å; D179-S183 WeakPolarHBondContact O-CB 3.14Å; D179-S183 PolarHBondContact O-N 3.34Å
180	L	96.5	Very high	95.1	Very high	69 Å²	69	42.5 Å²	42.5	36%	0.361	24%	0.242	S	C	.	.	H	α-helix	trans	-71.3	-41.5	177.1	-64.7	-179.2	0	0	0	111.4	D174 N177 C178 S183 A184	D174-L180 HydrophobicContact CB-CD1 3.52Å; N177-L180 HydrophobicContact CB-CB 4.4Å; N177-L180 HydrophobicContact CB-CD1 4.03Å; N177-L180 HydrophobicContact CB-CG 4.1Å; N177-L180 PolarHBondContact O-N 3Å; C178-L180 VanDerWaalsContact C-N 3.3Å; C178-L180 PolarHBondContact O-N 3.41Å; L180-S183 PolarHBondContact O-N 3.14Å; L180-A184 PolarHBondContact O-N 3.28Å
181	A	97.1	Very high	95.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-49.4	174.7	0	0	0	0	0	111.3	W61 L63 N177 C178 S183 A184 I185	W61-A181 HydrophobicContact CB-CB 4.3Å; W61-A181 HydrophobicContact CD2-CB 3.52Å; W61-A181 VanDerWaalsContact CE2-CA 3.46Å; W61-A181 HydrophobicContact CE3-CB 3.82Å; W61-A181 HydrophobicContact CG-CB 3.73Å; W61-A181 HydrophobicContact CZ2-CB 4.43Å; W61-A181 HydrophobicContact CZ3-CB 4.38Å; L63-A181 HydrophobicContact CD1-CB 3.79Å; N177-A181 PolarHBondContact O-N 2.83Å; C178-A181 PolarHBondContact O-N 3.5Å; A181-S183 PolarHBondContact O-N 3.42Å; A181-A184 PolarHBondContact O-N 3.06Å; A181-I185 WeakPolarHBondContact O-CB 3.42Å; A181-I185 WeakPolarHBondContact O-CD1 3.45Å; A181-I185 WeakPolarHBondContact O-CG1 3.42Å; A181-I185 PolarHBondContact O-N 3.3Å
182	I	96.2	Very high	95.8	Very high	16 Å²	16	45.4 Å²	45.4	8%	0.082	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-36.6	-178.7	-167.7	52	0	0	0	112.3	V109 V111 V130 C178 D179 A184 I185 S186	V109-I182 HydrophobicContact CG1-CD1 3.46Å; V109-I182 VanDerWaalsContact CG1-CD1 3.46Å; V109-I182 HydrophobicContact CG1-CG1 4.49Å; V111-I182 HydrophobicContact CG2-CG1 4.07Å; V130-I182 HydrophobicContact CG1-CD1 3.45Å; V130-I182 VanDerWaalsContact CG1-CD1 3.45Å; V130-I182 HydrophobicContact CG1-CG1 3.99Å; V130-I182 HydrophobicContact CG2-CB 4.12Å; V130-I182 HydrophobicContact CG2-CD1 4.47Å; V130-I182 HydrophobicContact CG2-CG1 4.14Å; C178-I182 WeakPolarHBondContact O-CG2 3.45Å; C178-I182 PolarHBondContact O-N 2.87Å; D179-I182 VanDerWaalsContact O-CG2 3.24Å; D179-I182 WeakPolarHBondContact O-CG2 3.12Å; I182-A184 PolarHBondContact O-N 2.98Å; I182-I185 PolarHBondContact O-N 2.82Å; I182-S186 WeakPolarHBondContact O-CB 3.48Å; I182-S186 PolarHBondContact O-N 2.99Å; I182-S186 PolarHBondContact O-OG 3.34Å
183	S	96.2	Very high	95.9	Very high	80 Å²	80	46.5 Å²	46.5	56%	0.559	26%	0.259	S	S	*	.	H	α-helix	trans	-58.9	-48.3	174.1	-176.8	0	0	0	0	111.7	D179 L180 A181 S186 K187	D179-S183 VanDerWaalsContact O-CB 3.31Å; D179-S183 WeakPolarHBondContact O-CB 3.14Å; D179-S183 PolarHBondContact O-N 3.34Å; L180-S183 PolarHBondContact O-N 3.14Å; A181-S183 PolarHBondContact O-N 3.42Å; S183-S186 PolarHBondContact O-N 3.12Å; S183-K187 WeakPolarHBondContact O-CB 3.34Å; S183-K187 PolarHBondContact O-N 2.91Å
184	A	97.5	Very high	96	Very high	23 Å²	23	43.7 Å²	43.7	19%	0.19	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-44.2	178.2	0	0	0	0	0	112.7	W61 L79 L180 A181 I182 K187 S188	W61-A184 HydrophobicContact CH2-CB 3.39Å; W61-A184 HydrophobicContact CZ2-CB 3.68Å; L79-A184 HydrophobicContact CD2-CB 4.04Å; L180-A184 PolarHBondContact O-N 3.28Å; A181-A184 PolarHBondContact O-N 3.06Å; I182-A184 PolarHBondContact O-N 2.98Å; A184-K187 PolarHBondContact O-N 3.03Å; A184-S188 PolarHBondContact O-N 3.25Å; A184-S188 PolarHBondContact O-OG 3.4Å
185	I	97.5	Very high	96	Very high	2 Å²	2	47 Å²	47	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-46.4	176.9	-69.2	165.8	0	0	0	110.3	V77 L79 L84 I132 A181 I182 K187 S188 L189	V77-I185 HydrophobicContact CG1-CD1 4.38Å; L79-I185 HydrophobicContact CD1-CG1 4.34Å; L79-I185 HydrophobicContact CD2-CG1 4.15Å; L84-I185 HydrophobicContact CD1-CD1 3.8Å; L84-I185 HydrophobicContact CD1-CG1 4.07Å; I132-I185 HydrophobicContact CD1-CD1 4.11Å; I132-I185 HydrophobicContact CD1-CG2 4.2Å; A181-I185 WeakPolarHBondContact O-CB 3.42Å; A181-I185 WeakPolarHBondContact O-CD1 3.45Å; A181-I185 WeakPolarHBondContact O-CG1 3.42Å; A181-I185 PolarHBondContact O-N 3.3Å; I182-I185 PolarHBondContact O-N 2.82Å; I185-K187 VanDerWaalsContact C-N 3.33Å; I185-K187 PolarHBondContact O-N 2.95Å; I185-S188 CarbonylContact O-C 3.53Å; I185-S188 PolarHBondContact O-N 3.2Å; I185-S188 VanDerWaalsContact O-N 3.12Å; I185-L189 HydrophobicContact CG2-CD1 3.57Å; I185-L189 HydrophobicContact CG2-CG 4.13Å; I185-L189 WeakPolarHBondContact O-CB 3.32Å; I185-L189 VanDerWaalsContact O-CG 3.27Å; I185-L189 WeakPolarHBondContact O-CG 3.19Å; I185-L189 PolarHBondContact O-N 3.47Å
186	S	96.2	Very high	95.9	Very high	29 Å²	29	48.8 Å²	48.8	20%	0.203	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-40.5	-179.5	-56.8	0	0	0	0	111.5	I182 S183 S188 L189 S190 V196	I182-S186 WeakPolarHBondContact O-CB 3.48Å; I182-S186 PolarHBondContact O-N 2.99Å; I182-S186 PolarHBondContact O-OG 3.34Å; S183-S186 PolarHBondContact O-N 3.12Å; S186-S188 PolarHBondContact O-N 3.21Å; S186-L189 PolarHBondContact O-N 3.11Å; S186-S190 PolarHBondContact O-N 3.31Å; S186-V196 WeakPolarHBondContact OG-CG2 3.26Å
187	K	96.9	Very high	95.8	Very high	169 Å²	169	52.8 Å²	52.8	74%	0.735	29%	0.291	S	S	*	.	H	α-helix	trans	-59	-46.8	172.8	-175.6	179.7	178.5	-178.5	0	111.2	S183 A184 I185 L189 S190	S183-K187 WeakPolarHBondContact O-CB 3.34Å; S183-K187 PolarHBondContact O-N 2.91Å; A184-K187 PolarHBondContact O-N 3.03Å; I185-K187 VanDerWaalsContact C-N 3.33Å; I185-K187 PolarHBondContact O-N 2.95Å; K187-L189 VanDerWaalsContact C-N 3.31Å; K187-L189 PolarHBondContact O-N 3.46Å; K187-S190 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-OG 2.96Å
188	S	96.8	Very high	95.7	Very high	16 Å²	16	58.5 Å²	58.5	11%	0.112	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-29	178	-71.5	0	0	0	0	113.7	A184 I185 S186 K191	A184-S188 PolarHBondContact O-N 3.25Å; A184-S188 PolarHBondContact O-OG 3.4Å; I185-S188 CarbonylContact O-C 3.53Å; I185-S188 PolarHBondContact O-N 3.2Å; I185-S188 VanDerWaalsContact O-N 3.12Å; S186-S188 PolarHBondContact O-N 3.21Å; S188-K191 VanDerWaalsContact O-CD 3.28Å; S188-K191 WeakPolarHBondContact O-CD 3.42Å; S188-K191 VanDerWaalsContact O-CE 3.23Å; S188-K191 WeakPolarHBondContact O-CE 3.48Å; S188-K191 VanDerWaalsContact O-CG 3.26Å; S188-K191 WeakPolarHBondContact O-CG 3.47Å
189	L	97.2	Very high	95.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-85.2	-21.7	-179.8	-73.1	179.4	0	0	0	113.9	L103 I106 V109 I185 S186 K187 K191 Y192 V194	L103-L189 HydrophobicContact CB-CD2 4.12Å; L103-L189 HydrophobicContact CD2-CD2 4.03Å; L103-L189 WeakPolarHBondContact O-CD2 3.3Å; I106-L189 HydrophobicContact CB-CD1 4.4Å; I106-L189 HydrophobicContact CB-CD2 3.91Å; I106-L189 HydrophobicContact CD1-CD1 4.33Å; I106-L189 HydrophobicContact CD1-CD2 3.97Å; I106-L189 HydrophobicContact CG1-CD2 4.49Å; I106-L189 HydrophobicContact CG2-CD1 3.74Å; I106-L189 HydrophobicContact CG2-CD2 4.14Å; V109-L189 HydrophobicContact CG2-CD1 3.51Å; I185-L189 HydrophobicContact CG2-CD1 3.57Å; I185-L189 HydrophobicContact CG2-CG 4.13Å; I185-L189 WeakPolarHBondContact O-CB 3.32Å; I185-L189 VanDerWaalsContact O-CG 3.27Å; I185-L189 WeakPolarHBondContact O-CG 3.19Å; I185-L189 PolarHBondContact O-N 3.47Å; S186-L189 PolarHBondContact O-N 3.11Å; K187-L189 VanDerWaalsContact C-N 3.31Å; K187-L189 PolarHBondContact O-N 3.46Å; L189-K191 PolarHBondContact O-N 3.19Å; L189-K191 VanDerWaalsContact O-N 3.1Å; L189-Y192 HydrophobicContact CD2-CD2 4.37Å; L189-Y192 PolarHBondContact O-N 3.16Å; L189-V194 HydrophobicContact CB-CB 4.13Å; L189-V194 HydrophobicContact CB-CG1 4.48Å; L189-V194 HydrophobicContact CD1-CG1 4.35Å; L189-V194 PolarHBondContact O-N 3.47Å
190	S	95.4	Very high	95.2	Very high	78 Å²	78	62.7 Å²	62.7	55%	0.545	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-54.6	-31.2	177.2	69.7	0	0	0	0	113.2	S186 K187 Y192 G193	S186-S190 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-OG 2.96Å; S190-Y192 PolarHBondContact O-N 3.39Å; S190-G193 PolarHBondContact O-N 3.29Å
191	K	94.6	Very high	94.9	Very high	114 Å²	114	59.4 Å²	59.4	50%	0.496	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.2	-18.2	176.1	76.1	-165.3	179.9	178	0	114.3	D81 S188 L189	D81-K191 PolarHBondContact O-NZ 3.37Å; S188-K191 VanDerWaalsContact O-CD 3.28Å; S188-K191 WeakPolarHBondContact O-CD 3.42Å; S188-K191 VanDerWaalsContact O-CE 3.23Å; S188-K191 WeakPolarHBondContact O-CE 3.48Å; S188-K191 VanDerWaalsContact O-CG 3.26Å; S188-K191 WeakPolarHBondContact O-CG 3.47Å; L189-K191 PolarHBondContact O-N 3.19Å; L189-K191 VanDerWaalsContact O-N 3.1Å
192	Y	95.2	Very high	94.5	Very high	94 Å²	94	65.4 Å²	65.4	37%	0.369	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-104.6	8.6	175.6	-56.8	-66.4	0	0	0	112.5	L103 Q104 L189 S190 V194	L103-Y192 HydrophobicContact CB-CD2 4.25Å; L103-Y192 HydrophobicContact CB-CE2 3.54Å; Q104-Y192 HydrophobicContact CB-CD1 4.05Å; Q104-Y192 HydrophobicContact CB-CE1 3.72Å; L189-Y192 HydrophobicContact CD2-CD2 4.37Å; L189-Y192 PolarHBondContact O-N 3.16Å; S190-Y192 PolarHBondContact O-N 3.39Å; Y192-V194 VanDerWaalsContact C-N 3.27Å; Y192-V194 PolarHBondContact O-N 3.25Å
193	G	94.7	Very high	94.1	Very high	65 Å²	65	64.9 Å²	64.9	67%	0.67	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	11.7	-179.7	0	0	0	0	0	114.8	S190	S190-G193 PolarHBondContact O-N 3.29Å
194	V	95.6	Very high	93	Very high	18 Å²	18	65.5 Å²	65.5	11%	0.109	34%	0.344	C	S	.	.			trans	-84.5	127.2	176.9	179.3	0	0	0	0	109.2	I106 V109 L189 Y192	I106-V194 WeakPolarHBondContact O-CG2 3.4Å; V109-V194 HydrophobicContact CG2-CG1 3.98Å; L189-V194 HydrophobicContact CB-CB 4.13Å; L189-V194 HydrophobicContact CB-CG1 4.48Å; L189-V194 HydrophobicContact CD1-CG1 4.35Å; L189-V194 PolarHBondContact O-N 3.47Å; Y192-V194 VanDerWaalsContact C-N 3.27Å; Y192-V194 PolarHBondContact O-N 3.25Å
195	Q	93.7	Very high	91.6	Very high	165 Å²	165	64.5 Å²	64.5	77%	0.771	34%	0.335	S	S	*	.			trans	-114.1	160.2	177.1	-64.9	-173.1	-21.3	0	0	110.6
196	V	94.4	Very high	90.1	Very high	39 Å²	39	67.2 Å²	67.2	24%	0.236	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122	175.3	179.4	0	0	0	0	109.3	V109 V111 S186 Y198	V109-V196 HydrophobicContact CG1-CG2 4.04Å; V111-V196 HydrophobicContact CB-CG1 4.06Å; V111-V196 HydrophobicContact CG2-CG1 3.49Å; V111-V196 VanDerWaalsContact CG2-CG1 3.49Å; S186-V196 WeakPolarHBondContact OG-CG2 3.26Å; V196-Y198 HydrophobicContact CG1-CE1 4.4Å; V196-Y198 HydrophobicContact CG1-CE2 4.47Å
197	E	93.9	Very high	88.8	Confident	88 Å²	88	68.8 Å²	68.8	41%	0.411	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.9	171.2	-65.1	171.3	-171.1	0	0	109.6	T108 V109 R110 V111 A199	T108-E197 WeakPolarHBondContact CG2-OE2 3.48Å; V109-E197 PolarHBondContact O-N 3.43Å; R110-E197 CarbonylContact C-O 3.57Å; R110-E197 WeakPolarHBondContact CA-O 3.42Å; R110-E197 HydrophobicContact CG-CB 4.26Å; R110-E197 IonicContact NE-OE2 3.22Å; R110-E197 PolarHBondContact NE-OE2 2.99Å; V111-E197 PolarHBondContact N-O 2.9Å; E197-A199 PolarHBondContact O-N 3.27Å
198	Y	92	Very high	87.7	Confident	137 Å²	137	61.8 Å²	61.8	54%	0.537	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	98.3	173.7	-67.7	-77.6	0	0	0	109.8	F12 V13 V111 V196	F12-Y198 AromaticContact CE2-CD1 3.73Å; F12-Y198 HydrophobicContact CE2-CD1 3.73Å; F12-Y198 HydrophobicContact CE2-CG 4.14Å; V13-Y198 HydrophobicContact CG1-CD1 4.42Å; V13-Y198 HydrophobicContact CG1-CE1 4.22Å; V111-Y198 HydrophobicContact CB-CD1 4.01Å; V111-Y198 HydrophobicContact CB-CE1 4.13Å; V111-Y198 HydrophobicContact CG1-CD1 4.29Å; V111-Y198 HydrophobicContact CG1-CE1 4.23Å; V111-Y198 CarbonylContact O-C 3.58Å; V111-Y198 VanDerWaalsContact O-CA 3.3Å; V111-Y198 WeakPolarHBondContact O-CA 3.3Å; V196-Y198 HydrophobicContact CG1-CE1 4.4Å; V196-Y198 HydrophobicContact CG1-CE2 4.47Å
199	A	91	Very high	86.8	Confident	37 Å²	37	67.6 Å²	67.6	31%	0.306	35%	0.348	S	S	.	.			trans	-153.5	150.8	-173.2	0	0	0	0	0	111.6	V111 G112 E197	V111-A199 PolarHBondContact O-N 3.46Å; G112-A199 VanDerWaalsContact CA-O 3.31Å; G112-A199 WeakPolarHBondContact CA-O 3.2Å; E197-A199 PolarHBondContact O-N 3.27Å
200	N	90.5	Very high	86	Confident	77 Å²	77	74 Å²	74	41%	0.412	38%	0.376	S	S	.	.			trans	-57.7	140.1	175.7	-70.6	-21.8	0	0	0	111.6	I115	I115-N200 HydrophobicContact CG1-CB 3.79Å
201	I	91.2	Very high	85.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	106.2	179.3	-63	166.3	0	0	0	107.4	R110 N113 L114 I115 G129 Q131 I157	R110-I201 HydrophobicContact CB-CG1 4.35Å; N113-I201 PolarHBondContact O-N 3.09Å; L114-I201 HydrophobicContact CD2-CB 4.11Å; L114-I201 HydrophobicContact CD2-CD1 4.41Å; L114-I201 HydrophobicContact CD2-CG2 3.96Å; I115-I201 PolarHBondContact N-O 3.02Å; G129-I201 VanDerWaalsContact O-CD1 3.25Å; G129-I201 WeakPolarHBondContact O-CD1 3.33Å; Q131-I201 HydrophobicContact CB-CD1 3.78Å; Q131-I201 HydrophobicContact CB-CG1 3.88Å; Q131-I201 HydrophobicContact CB-CG2 3.97Å; Q131-I201 HydrophobicContact CG-CG2 4.45Å; I157-I201 HydrophobicContact CD1-CG2 3.72Å; I157-I201 HydrophobicContact CG1-CG2 4.19Å; I157-I201 HydrophobicContact CG2-CG2 4.39Å
202	H	88.1	Confident	84.7	Confident	127 Å²	127	66.7 Å²	66.7	59%	0.588	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.3	177.8	-67.5	-89.6	0	0	0	110.6	I115	I115-H202 WeakPolarHBondContact O-CA 3.49Å
203	L	86.8	Confident	84.2	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	34%	0.335	C	S	.	.			trans	-88.3	143.9	176.9	-62.6	176.5	0	0	0	110.3	I66 L114 I115 Q116 P117 I157	I66-L203 HydrophobicContact CG2-CD2 4Å; L114-L203 HydrophobicContact CB-CD1 4.07Å; L114-L203 HydrophobicContact CD2-CD2 4.14Å; I115-L203 PolarHBondContact O-N 3.12Å; Q116-L203 HydrophobicContact CG-CD1 4.23Å; P117-L203 VanDerWaalsContact CD-O 3.24Å; P117-L203 WeakPolarHBondContact CD-O 3.18Å; P117-L203 WeakPolarHBondContact CG-O 3.32Å; I157-L203 HydrophobicContact CD1-CD2 3.52Å
204	N	75	Confident	83.7	Confident	94 Å²	94	65 Å²	65	50%	0.503	31%	0.313	S	S	.	.			trans	-97.6	100.4	167.2	-65.5	-31.5	0	0	0	106.9
205	S	68	Low	83.3	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.007	31%	0.313	C	S	.	.			trans	-88.9	143.9	162.3	-178.1	0	0	0	0	107.4	W119 L122 N208	W119-S205 WeakPolarHBondContact CH2-O 3.49Å; W119-S205 WeakPolarHBondContact CZ2-O 3.48Å; L122-S205 WeakPolarHBondContact CD1-OG 3.47Å; S205-N208 PolarHBondContact OG-OD1 3.18Å
206	H	65.5	Low	82.8	Confident	60 Å²	60	63.9 Å²	63.9	28%	0.278	31%	0.307	S	S	.	.	S	Bend	trans	-116.1	-36.4	175	-72.1	-63.1	0	0	0	111.7
207	I	68.7	Low	82.3	Confident	61 Å²	61	64.8 Å²	64.8	31%	0.313	32%	0.315	S	S	.	.			trans	-141.9	92.7	-176.3	-50.7	178.2	0	0	0	110.4	W69 F209 F210 T211	W69-I207 HydrophobicContact CH2-CD1 3.99Å; W69-I207 HydrophobicContact CZ3-CD1 3.94Å; I207-F209 PolarHBondContact O-N 3.48Å; I207-F210 HydrophobicContact CG2-CD2 3.79Å; I207-F210 HydrophobicContact CG2-CE2 4.48Å; I207-T211 PolarHBondContact O-N 3.41Å; I207-T211 PolarHBondContact O-OG1 2.94Å; I207-T211 VanDerWaalsContact O-OG1 3.12Å
208	N	72.8	Confident	81.8	Confident	23 Å²	23	62.3 Å²	62.3	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-40	-169	-61.1	-45.2	0	0	0	114.6	S120 A121 L122 S205 F210 T211 I212	S120-N208 WeakPolarHBondContact CA-ND2 3.07Å; S120-N208 PolarHBondContact OG-OD1 2.97Å; A121-N208 HydrophobicContact CB-CB 4.21Å; A121-N208 PolarHBondContact N-ND2 3.09Å; L122-N208 HydrophobicContact CG-CB 4.19Å; S205-N208 PolarHBondContact OG-OD1 3.18Å; N208-F210 PolarHBondContact O-N 3.4Å; N208-T211 PolarHBondContact O-N 3.16Å; N208-I212 WeakPolarHBondContact O-CG1 3.38Å; N208-I212 PolarHBondContact O-N 3.13Å
209	F	79	Confident	81.4	Confident	138 Å²	138	58.4 Å²	58.4	61%	0.605	29%	0.293	S	S	*	.	H	α-helix	trans	-62.6	-46.8	-170.7	-178.6	-102.4	0	0	0	113.2	I207 I212 I213	I207-F209 PolarHBondContact O-N 3.48Å; F209-I212 PolarHBondContact O-N 2.85Å; F209-I213 HydrophobicContact CD1-CD1 3.94Å; F209-I213 HydrophobicContact CE1-CD1 3.36Å; F209-I213 HydrophobicContact CE2-CD1 4.17Å; F209-I213 HydrophobicContact CZ-CD1 3.51Å; F209-I213 PolarHBondContact O-N 3.04Å
210	F	79.4	Confident	81.3	Confident	135 Å²	135	57.2 Å²	57.2	59%	0.592	28%	0.284	S	S	*	.	H	α-helix	trans	-67.3	-39.6	177	-69.2	-71.1	0	0	0	111.5	I207 N208 I212 I213 Y214	I207-F210 HydrophobicContact CG2-CD2 3.79Å; I207-F210 HydrophobicContact CG2-CE2 4.48Å; N208-F210 PolarHBondContact O-N 3.4Å; F210-I212 VanDerWaalsContact C-N 3.35Å; F210-I212 PolarHBondContact O-N 3.45Å; F210-I213 PolarHBondContact O-N 3.4Å; F210-Y214 VanDerWaalsContact O-CB 3.27Å; F210-Y214 WeakPolarHBondContact O-CB 3.09Å; F210-Y214 PolarHBondContact O-N 3.4Å
211	T	81.5	Confident	81.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-41.4	175.8	-55.7	0	0	0	0	112	W69 D70 L122 I207 N208 Y214 N215	W69-T211 PolarHBondContact O-OG1 3.25Å; D70-T211 HydrophobicContact CB-CG2 4.01Å; D70-T211 VanDerWaalsContact O-CG2 3.26Å; D70-T211 WeakPolarHBondContact O-CG2 3.41Å; L122-T211 HydrophobicContact CD1-CG2 3.9Å; L122-T211 HydrophobicContact CD2-CG2 3.69Å; L122-T211 HydrophobicContact CG-CG2 4.46Å; I207-T211 PolarHBondContact O-N 3.41Å; I207-T211 PolarHBondContact O-OG1 2.94Å; I207-T211 VanDerWaalsContact O-OG1 3.12Å; N208-T211 PolarHBondContact O-N 3.16Å; T211-Y214 PolarHBondContact O-N 2.91Å; T211-N215 WeakPolarHBondContact O-CB 3.33Å; T211-N215 PolarHBondContact O-N 2.72Å
212	I	82.3	Confident	81.2	Confident	37 Å²	37	54.1 Å²	54.1	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-52.8	175	-69.3	164	0	0	0	109.6	L122 N208 F209 F210 Y214 N215 Q216	L122-I212 HydrophobicContact CD2-CB 4.38Å; L122-I212 HydrophobicContact CD2-CD1 4.48Å; L122-I212 HydrophobicContact CD2-CG1 3.44Å; L122-I212 VanDerWaalsContact CD2-CG1 3.44Å; L122-I212 HydrophobicContact CG-CG1 4.32Å; N208-I212 WeakPolarHBondContact O-CG1 3.38Å; N208-I212 PolarHBondContact O-N 3.13Å; F209-I212 PolarHBondContact O-N 2.85Å; F210-I212 VanDerWaalsContact C-N 3.35Å; F210-I212 PolarHBondContact O-N 3.45Å; I212-Y214 VanDerWaalsContact C-N 3.34Å; I212-Y214 PolarHBondContact O-N 2.88Å; I212-N215 PolarHBondContact O-N 2.78Å; I212-Q216 HydrophobicContact CG2-CG 4.25Å; I212-Q216 VanDerWaalsContact O-CB 3.26Å; I212-Q216 WeakPolarHBondContact O-CB 3.25Å; I212-Q216 VanDerWaalsContact O-CG 3.27Å; I212-Q216 WeakPolarHBondContact O-CG 3.36Å; I212-Q216 PolarHBondContact O-N 3.15Å
213	I	84	Confident	81.3	Confident	69 Å²	69	49 Å²	49	35%	0.354	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-45	-179	-67.1	172.9	0	0	0	110.7	F209 F210 S217	F209-I213 HydrophobicContact CD1-CD1 3.94Å; F209-I213 HydrophobicContact CE1-CD1 3.36Å; F209-I213 HydrophobicContact CE2-CD1 4.17Å; F209-I213 HydrophobicContact CZ-CD1 3.51Å; F209-I213 PolarHBondContact O-N 3.04Å; F210-I213 PolarHBondContact O-N 3.4Å; I213-S217 WeakPolarHBondContact O-CB 3.17Å; I213-S217 PolarHBondContact O-N 3.11Å; I213-S217 PolarHBondContact O-OG 2.69Å
214	Y	85.6	Confident	81.3	Confident	54 Å²	54	51.6 Å²	51.6	21%	0.212	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-50.7	-178.5	-170.9	-82	0	0	0	111.7	H71 I73 F210 T211 I212 N218 L219 G220	H71-Y214 HydrophobicContact CB-CD1 3.73Å; H71-Y214 HydrophobicContact CB-CE1 3.63Å; H71-Y214 HydrophobicContact CB-CG 4.49Å; H71-Y214 AromaticContact CD2-CD1 3.63Å; H71-Y214 AromaticContact CD2-CG 3.61Å; H71-Y214 AromaticContact CG-CD1 3.7Å; H71-Y214 AromaticContact CG-CE1 3.92Å; H71-Y214 AromaticContact CG-CG 3.97Å; H71-Y214 AromaticContact NE2-CG 3.9Å; I73-Y214 HydrophobicContact CG1-CE1 4.26Å; F210-Y214 VanDerWaalsContact O-CB 3.27Å; F210-Y214 WeakPolarHBondContact O-CB 3.09Å; F210-Y214 PolarHBondContact O-N 3.4Å; T211-Y214 PolarHBondContact O-N 2.91Å; I212-Y214 VanDerWaalsContact C-N 3.34Å; I212-Y214 PolarHBondContact O-N 2.88Å; Y214-N218 PolarHBondContact O-N 2.78Å; Y214-N218 VanDerWaalsContact O-N 3.14Å; Y214-L219 HydrophobicContact CD1-CB 4.36Å; Y214-L219 HydrophobicContact CD2-CB 3.72Å; Y214-L219 HydrophobicContact CD2-CD1 3.85Å; Y214-L219 HydrophobicContact CD2-CG 4.33Å; Y214-L219 HydrophobicContact CE1-CB 4.33Å; Y214-L219 HydrophobicContact CE2-CB 3.67Å; Y214-L219 HydrophobicContact CE2-CD1 4.43Å; Y214-L219 HydrophobicContact CG-CB 4.07Å; Y214-L219 HydrophobicContact CG-CD1 4.37Å; Y214-L219 PolarHBondContact O-N 3.11Å; Y214-G220 WeakPolarHBondContact OH-CA 3.41Å; Y214-G220 PolarHBondContact OH-N 3.15Å
215	N	85.4	Confident	81.6	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-71.8	-45	-177.5	-68.2	-9.8	0	0	0	111.6	D70 H71 E72 R125 T211 I212 S217 N218	D70-N215 PolarHBondContact O-ND2 3.35Å; H71-N215 WeakPolarHBondContact CA-OD1 3.25Å; E72-N215 PolarHBondContact N-OD1 2.9Å; R125-N215 PolarHBondContact NH2-ND2 3.25Å; T211-N215 WeakPolarHBondContact O-CB 3.33Å; T211-N215 PolarHBondContact O-N 2.72Å; I212-N215 PolarHBondContact O-N 2.78Å; N215-S217 VanDerWaalsContact C-N 3.29Å; N215-S217 PolarHBondContact O-N 3.23Å; N215-N218 PolarHBondContact O-N 2.85Å
216	Q	84.1	Confident	82	Confident	139 Å²	139	56 Å²	56	65%	0.65	28%	0.278	S	S	*	.	H	α-helix	trans	-61.6	-38.4	177.8	-73.7	-177.3	-11.3	0	0	112.1	I212 N218	I212-Q216 HydrophobicContact CG2-CG 4.25Å; I212-Q216 VanDerWaalsContact O-CB 3.26Å; I212-Q216 WeakPolarHBondContact O-CB 3.25Å; I212-Q216 VanDerWaalsContact O-CG 3.27Å; I212-Q216 WeakPolarHBondContact O-CG 3.36Å; I212-Q216 PolarHBondContact O-N 3.15Å; Q216-N218 PolarHBondContact O-N 3.4Å; Q216-N218 PolarHBondContact O-ND2 2.93Å
217	S	82.7	Confident	81.9	Confident	57 Å²	57	56.5 Å²	56.5	40%	0.399	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.8	177.7	-54.7	0	0	0	0	113.1	I213 N215 L219	I213-S217 WeakPolarHBondContact O-CB 3.17Å; I213-S217 PolarHBondContact O-N 3.11Å; I213-S217 PolarHBondContact O-OG 2.69Å; N215-S217 VanDerWaalsContact C-N 3.29Å; N215-S217 PolarHBondContact O-N 3.23Å; S217-L219 VanDerWaalsContact C-N 3.26Å; S217-L219 PolarHBondContact O-N 3.36Å
218	N	83.9	Confident	81.7	Confident	36 Å²	36	58.9 Å²	58.9	19%	0.193	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	41.6	-174.8	-64.4	-91.5	0	0	0	112.2	Y214 N215 Q216 G220 F221 K223 R225	Y214-N218 PolarHBondContact O-N 2.78Å; Y214-N218 VanDerWaalsContact O-N 3.14Å; N215-N218 PolarHBondContact O-N 2.85Å; Q216-N218 PolarHBondContact O-N 3.4Å; Q216-N218 PolarHBondContact O-ND2 2.93Å; N218-G220 PolarHBondContact O-N 2.72Å; N218-F221 HydrophobicContact CB-CD2 3.81Å; N218-F221 HydrophobicContact CB-CE2 4.43Å; N218-F221 PolarHBondContact O-N 2.91Å; N218-K223 HydrophobicContact CB-CD 4.47Å; N218-R225 PolarHBondContact O-NH2 2.81Å
219	L	85	Confident	81.3	Confident	55 Å²	55	60.4 Å²	60.4	29%	0.288	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.7	-174	-65.6	-179.8	0	0	0	113.5	Y214 S217 F221 F230	Y214-L219 HydrophobicContact CD1-CB 4.36Å; Y214-L219 HydrophobicContact CD2-CB 3.72Å; Y214-L219 HydrophobicContact CD2-CD1 3.85Å; Y214-L219 HydrophobicContact CD2-CG 4.33Å; Y214-L219 HydrophobicContact CE1-CB 4.33Å; Y214-L219 HydrophobicContact CE2-CB 3.67Å; Y214-L219 HydrophobicContact CE2-CD1 4.43Å; Y214-L219 HydrophobicContact CG-CB 4.07Å; Y214-L219 HydrophobicContact CG-CD1 4.37Å; Y214-L219 PolarHBondContact O-N 3.11Å; S217-L219 VanDerWaalsContact C-N 3.26Å; S217-L219 PolarHBondContact O-N 3.36Å; L219-F221 VanDerWaalsContact C-N 3.28Å; L219-F221 PolarHBondContact O-N 3.41Å; L219-F230 HydrophobicContact CB-CE2 4.46Å; L219-F230 HydrophobicContact CD2-CE2 3.59Å; L219-F230 HydrophobicContact CD2-CZ 3.64Å
220	G	87.1	Confident	80.6	Confident	12 Å²	12	58.8 Å²	58.8	12%	0.124	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-82.2	5.4	178.4	0	0	0	0	0	115.5	I73 E74 Y214 N218	I73-G220 CarbonylContact C-O 3.47Å; I73-G220 WeakPolarHBondContact CA-O 3.4Å; I73-G220 WeakPolarHBondContact CG2-O 3.3Å; E74-G220 PolarHBondContact N-O 2.81Å; Y214-G220 WeakPolarHBondContact OH-CA 3.41Å; Y214-G220 PolarHBondContact OH-N 3.15Å; N218-G220 PolarHBondContact O-N 2.72Å
221	F	91.5	Very high	80.7	Confident	1 Å²	1	55 Å²	55	0%	0.004	30%	0.303	C	S	.	.	S	Bend	trans	-116.2	139.6	-177.8	-62	-95.2	0	0	0	111	Y31 T64 E72 E74 H161 P162 N218 L219 K223 R225 F230	Y31-F221 HydrophobicContact CD1-CB 4.16Å; Y31-F221 HydrophobicContact CD1-CD1 4.28Å; Y31-F221 HydrophobicContact CE1-CB 3.82Å; Y31-F221 AromaticContact CE1-CD1 3.77Å; Y31-F221 HydrophobicContact CE1-CD1 3.77Å; Y31-F221 AromaticContact CE1-CG 3.87Å; Y31-F221 HydrophobicContact CE1-CG 3.87Å; T64-F221 HydrophobicContact CG2-CE1 4.22Å; T64-F221 HydrophobicContact CG2-CZ 3.65Å; T64-F221 VanDerWaalsContact OG1-CE1 3.29Å; T64-F221 WeakPolarHBondContact OG1-CE1 3.24Å; T64-F221 WeakPolarHBondContact OG1-CZ 3.37Å; E72-F221 HydrophobicContact CB-CE2 4.12Å; E72-F221 HydrophobicContact CB-CZ 4.32Å; E74-F221 HydrophobicContact CB-CB 4.46Å; E74-F221 HydrophobicContact CB-CD1 3.7Å; E74-F221 HydrophobicContact CB-CE1 4.31Å; E74-F221 HydrophobicContact CB-CG 4.3Å; E74-F221 HydrophobicContact CG-CD1 4.31Å; H161-F221 AromaticContact CD2-CD1 3.97Å; H161-F221 AromaticContact CD2-CE1 3.74Å; H161-F221 AromaticContact NE2-CD1 3.45Å; H161-F221 WeakPolarHBondContact NE2-CD1 3.5Å; H161-F221 AromaticContact NE2-CE1 3.67Å; P162-F221 VanDerWaalsContact CD-CE1 3.47Å; P162-F221 HydrophobicContact CG-CD1 4.41Å; P162-F221 HydrophobicContact CG-CE1 3.73Å; P162-F221 HydrophobicContact CG-CZ 3.85Å; N218-F221 HydrophobicContact CB-CD2 3.81Å; N218-F221 HydrophobicContact CB-CE2 4.43Å; N218-F221 PolarHBondContact O-N 2.91Å; L219-F221 VanDerWaalsContact C-N 3.28Å; L219-F221 PolarHBondContact O-N 3.41Å; F221-K223 PolarHBondContact O-N 2.88Å; F221-R225 PolarHBondContact O-NH2 3.07Å; F221-F230 VanDerWaalsContact O-O 3.09Å
222	C	89.3	Confident	80.7	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.081	32%	0.319	C	S	.	.			trans	-69.7	96.8	172.7	-70.8	0	0	0	0	109.3	Y32 E74 F91 I92 F230	Y32-C222 WeakPolarHBondContact CD2-O 3.45Å; Y32-C222 PolarHBondContact N-O 3.38Å; E74-C222 WeakPolarHBondContact OE1-CB 3.45Å; E74-C222 PolarHBondContact OE1-N 2.72Å; F91-C222 HydrophobicContact CB-CB 4.11Å; F91-C222 HydrophobicContact CD2-CB 4.41Å; I92-C222 HydrophobicContact CD1-CB 4.4Å; I92-C222 HydrophobicContact CG1-CB 4.36Å; C222-F230 WeakPolarHBondContact CA-O 3.45Å
223	K	89.4	Confident	80.6	Confident	20 Å²	20	59 Å²	59	9%	0.087	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-135.9	138.4	-169.6	-167.7	176.7	-176.4	168.5	0	111.7	R30 Y31 N218 F221 R225 F230	R30-K223 HydrophobicContact CB-CD 4.25Å; R30-K223 HydrophobicContact CB-CG 3.69Å; R30-K223 CarbonylContact O-C 3.53Å; R30-K223 VanDerWaalsContact O-CA 3.25Å; R30-K223 WeakPolarHBondContact O-CA 3.41Å; R30-K223 WeakPolarHBondContact O-CG 3.36Å; Y31-K223 HydrophobicContact CE1-CD 4.4Å; Y31-K223 HydrophobicContact CE2-CD 4.32Å; Y31-K223 PolarHBondContact OH-NZ 2.8Å; N218-K223 HydrophobicContact CB-CD 4.47Å; F221-K223 PolarHBondContact O-N 2.88Å; K223-R225 PolarHBondContact O-N 3.09Å; K223-R225 PolarHBondContact O-NH1 3.22Å; K223-F230 PolarHBondContact N-O 3.4Å; K223-F230 VanDerWaalsContact N-O 3.13Å
224	D	86.3	Confident	80.4	Confident	58 Å²	58	58.4 Å²	58.4	31%	0.31	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-72.3	121.3	167.7	177.5	33.4	0	0	0	109.7	R30 Y32 N226 G227	R30-D224 PolarHBondContact O-N 3.16Å; Y32-D224 HydrophobicContact CE2-CB 4.03Å; D224-N226 PolarHBondContact OD1-N 2.74Å; D224-G227 PolarHBondContact OD1-N 3.06Å
225	R	83	Confident	80.1	Confident	52 Å²	52	58.7 Å²	58.7	20%	0.196	33%	0.331	C	S	.	.			trans	-114.6	57.5	-179.3	-59.6	-178	-175.3	75.7	0.3	109.8	N218 F221 K223 I228 F230	N218-R225 PolarHBondContact O-NH2 2.81Å; F221-R225 PolarHBondContact O-NH2 3.07Å; K223-R225 PolarHBondContact O-N 3.09Å; K223-R225 PolarHBondContact O-NH1 3.22Å; R225-I228 WeakPolarHBondContact CB-O 3.38Å; R225-I228 PolarHBondContact N-O 3.46Å; R225-F230 PolarHBondContact NH1-O 3.43Å
226	N	75.9	Confident	79.7	Confident	136 Å²	136	61.2 Å²	61.2	73%	0.727	35%	0.346	S	S	*	.	S	Bend	trans	59.1	50.3	179.7	-57.1	-28.3	0	0	0	112.5	D224	D224-N226 PolarHBondContact OD1-N 2.74Å
227	G	63.4	Low	79.4	Confident	69 Å²	69	55.6 Å²	55.6	71%	0.711	32%	0.324	S	S	*	.	S	Bend	trans	99.2	-6.7	176.9	0	0	0	0	0	115	D224	D224-G227 PolarHBondContact OD1-N 3.06Å
228	I	64.2	Low	79.1	Confident	111 Å²	111	55.5 Å²	55.5	57%	0.569	32%	0.318	S	S	*	.			trans	-106.4	122.1	166.2	-59	175.3	0	0	0	108	R225 F230	R225-I228 WeakPolarHBondContact CB-O 3.38Å; R225-I228 PolarHBondContact N-O 3.46Å; I228-F230 HydrophobicContact CG2-CD1 3.74Å; I228-F230 HydrophobicContact CG2-CE1 3.72Å
229	S	65	Low	78.7	Confident	55 Å²	55	57.2 Å²	57.2	39%	0.385	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-117.2	122	-179.6	61.3	0	0	0	0	111.1	Y32	Y32-S229 VanDerWaalsContact OH-CB 3.25Å; Y32-S229 WeakPolarHBondContact OH-CB 3.25Å
230	F	64.5	Low	78.2	Confident	105 Å²	105	57.4 Å²	57.4	46%	0.461	33%	0.332	S	S	.	.			trans	-155.2	0	166.7	57.5	-93.1	0	0	0	109.6	L219 F221 C222 K223 R225 I228	L219-F230 HydrophobicContact CB-CE2 4.46Å; L219-F230 HydrophobicContact CD2-CE2 3.59Å; L219-F230 HydrophobicContact CD2-CZ 3.64Å; F221-F230 VanDerWaalsContact O-O 3.09Å; C222-F230 WeakPolarHBondContact CA-O 3.45Å; K223-F230 PolarHBondContact N-O 3.4Å; K223-F230 VanDerWaalsContact N-O 3.13Å; R225-F230 PolarHBondContact NH1-O 3.43Å; I228-F230 HydrophobicContact CG2-CD1 3.74Å; I228-F230 HydrophobicContact CG2-CE1 3.72Å

Retrieved 230 of 230 residues in 60.3 ms (Link to these results)

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