A0A077Z6B8_TRITR Loading...

IF4E domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6B8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 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	43.9	Very low	39.7	Very low	238 Å²	238	151.5 Å²	151.5	100%	1.172	82%	0.816	S	S	*	*				0	104.6	0	-78	-178.8	-71.3	0	0	106.7
2	E	37.3	Very low	40	Very low	180 Å²	180	153.9 Å²	153.9	84%	0.841	82%	0.818	S	S	*	*			trans	-90.7	109.8	-178.2	-154.4	173	-163.6	0	0	107.3	K4	E2-K4 PolarHBondContact O-N 3.22Å
3	V	41	Very low	40.2	Very low	138 Å²	138	151.7 Å²	151.7	84%	0.836	81%	0.807	S	S	*	*			trans	-79.1	102.4	179.9	-180	0	0	0	0	107.2	A5	V3-A5 PolarHBondContact O-N 3.17Å
4	K	37.4	Very low	40.7	Very low	179 Å²	179	149 Å²	149	78%	0.778	81%	0.806	S	S	*	*			trans	-71.2	110.3	173.5	-68.1	-176.2	178.2	-177.9	0	108.4	E2 E6	E2-K4 PolarHBondContact O-N 3.22Å; K4-E6 PolarHBondContact O-N 3.09Å; K4-E6 VanDerWaalsContact O-N 3.17Å
5	A	41.8	Very low	41.3	Very low	99 Å²	99	148.7 Å²	148.7	82%	0.818	80%	0.797	S	S	*	*			trans	-70.5	104.2	168.1	0	0	0	0	0	108.1	V3 A7	V3-A5 PolarHBondContact O-N 3.17Å; A5-A7 PolarHBondContact O-N 3.22Å
6	E	41.8	Very low	42	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	80%	0.803	S	S	*	*			trans	-72.4	107.8	169.8	-71.3	-179.2	167.7	0	0	108.2	K4 I8	K4-E6 PolarHBondContact O-N 3.09Å; K4-E6 VanDerWaalsContact O-N 3.17Å; E6-I8 PolarHBondContact O-N 3.2Å; E6-I8 VanDerWaalsContact O-N 3.09Å
7	A	37.9	Very low	43	Very low	96 Å²	96	146.2 Å²	146.2	79%	0.793	79%	0.788	S	S	*	*			trans	-66.1	106	170.8	0	0	0	0	0	108.4	A5 S9	A5-A7 PolarHBondContact O-N 3.22Å; A7-S9 PolarHBondContact O-N 2.89Å
8	I	40.7	Very low	44.7	Very low	137 Å²	137	146.6 Å²	146.6	70%	0.703	79%	0.789	S	S	*	*			trans	-66.1	104.1	168.8	-61.7	171.3	0	0	0	106.4	E6 Y10	E6-I8 PolarHBondContact O-N 3.2Å; E6-I8 VanDerWaalsContact O-N 3.09Å; I8-Y10 PolarHBondContact O-N 3Å
9	S	36.1	Very low	46.4	Very low	98 Å²	98	149.4 Å²	149.4	69%	0.685	79%	0.787	S	S	*	*			trans	-69.6	111.5	171.2	54.1	0	0	0	0	108.1	A7 T11	A7-S9 PolarHBondContact O-N 2.89Å; S9-T11 PolarHBondContact O-N 2.8Å
10	Y	40.5	Very low	48.3	Very low	210 Å²	210	146.8 Å²	146.8	82%	0.824	78%	0.78	S	S	*	*			trans	-69.2	90.1	163.3	-67.7	-84.7	0	0	0	107.1	I8 Q12	I8-Y10 PolarHBondContact O-N 3Å; Y10-Q12 PolarHBondContact O-N 2.95Å
11	T	38.6	Very low	50.4	Low	112 Å²	112	145.1 Å²	145.1	69%	0.687	77%	0.769	S	S	*	*			trans	-59.4	112.3	163.5	-35.7	0	0	0	0	105.9	S9 N13	S9-T11 PolarHBondContact O-N 2.8Å; T11-N13 PolarHBondContact O-N 3.22Å
12	Q	43.8	Very low	52.8	Low	181 Å²	181	139 Å²	139	85%	0.846	74%	0.737	S	S	*	*			trans	-64.1	90	172.4	-68	-166.7	-1.7	0	0	107.6	Y10 S14	Y10-Q12 PolarHBondContact O-N 2.95Å; Q12-S14 PolarHBondContact O-N 3.08Å
13	N	42.5	Very low	55.7	Low	125 Å²	125	135.7 Å²	135.7	67%	0.668	73%	0.732	S	S	*	*			trans	-66.1	94	159.7	-88.5	0.8	0	0	0	106.1	T11 E15	T11-N13 PolarHBondContact O-N 3.22Å; N13-E15 PolarHBondContact O-N 3.05Å
14	S	46.4	Very low	58.4	Low	114 Å²	114	130.5 Å²	130.5	80%	0.797	70%	0.699	S	S	*	*			trans	-72.8	37.6	167.3	71.3	0	0	0	0	111	Q12 N16	Q12-S14 PolarHBondContact O-N 3.08Å; S14-N16 PolarHBondContact O-N 2.91Å; S14-N16 VanDerWaalsContact O-N 3.08Å
15	E	50.3	Low	61.2	Low	144 Å²	144	128.2 Å²	128.2	67%	0.673	69%	0.689	S	S	*	*			trans	-65	111.7	159.6	-72.1	-174.5	174.6	0	0	104.7	N13 V17	N13-E15 PolarHBondContact O-N 3.05Å; E15-V17 HydrophobicContact CB-CG2 3.95Å; E15-V17 PolarHBondContact O-N 3.37Å
16	N	51.6	Low	63.9	Low	166 Å²	166	126.3 Å²	126.3	89%	0.888	66%	0.661	S	S	*	*			trans	-66.6	71.3	169.3	-152.1	-11.1	0	0	0	105.9	S14 D18	S14-N16 PolarHBondContact O-N 2.91Å; S14-N16 VanDerWaalsContact O-N 3.08Å; N16-D18 VanDerWaalsContact C-N 3.31Å; N16-D18 PolarHBondContact O-N 3Å
17	V	60.1	Low	66.6	Low	90 Å²	90	120 Å²	120	55%	0.545	64%	0.636	S	S	.	*			trans	-64.6	104	177.3	-177.7	0	0	0	0	103.5	E15 R19	E15-V17 HydrophobicContact CB-CG2 3.95Å; E15-V17 PolarHBondContact O-N 3.37Å; V17-R19 HydrophobicContact CB-CG 4.16Å; V17-R19 HydrophobicContact CG1-CG 3.66Å; V17-R19 PolarHBondContact O-N 2.68Å
18	D	72.7	Confident	69.5	Low	153 Å²	153	115.5 Å²	115.5	82%	0.818	60%	0.599	S	S	*	*			trans	-60.4	77.9	166.2	-172.3	23.9	0	0	0	106.8	N16 P20	N16-D18 VanDerWaalsContact C-N 3.31Å; N16-D18 PolarHBondContact O-N 3Å; D18-P20 VanDerWaalsContact O-CD 3.26Å; D18-P20 WeakPolarHBondContact O-CD 3.37Å
19	R	77	Confident	72.2	Confident	199 Å²	199	109.2 Å²	109.2	75%	0.751	57%	0.567	S	S	*	*			trans	-70.1	114.1	-179.7	-79.9	-172.2	-79.4	-163.8	-4.3	105.1	V17 M21	V17-R19 HydrophobicContact CB-CG 4.16Å; V17-R19 HydrophobicContact CG1-CG 3.66Å; V17-R19 PolarHBondContact O-N 2.68Å; R19-M21 PolarHBondContact O-N 2.89Å
20	P	84.1	Confident	75.2	Confident	98 Å²	98	104.7 Å²	104.7	64%	0.636	54%	0.535	S	S	*	.			trans	-60.2	120.8	-177.9	24.4	-32.6	0	0	0	108.4	D18 H22	D18-P20 VanDerWaalsContact O-CD 3.26Å; D18-P20 WeakPolarHBondContact O-CD 3.37Å; P20-H22 PolarHBondContact O-ND1 3.34Å
21	M	92.2	Very high	77.9	Confident	112 Å²	112	96.7 Å²	96.7	55%	0.552	50%	0.504	S	S	*	.			trans	-75.9	142.2	172.9	-61.3	-177.1	82.6	0	0	109.3	R19 P23 T54	R19-M21 PolarHBondContact O-N 2.89Å; M21-P23 WeakPolarHBondContact O-CD 3.26Å; M21-T54 HydrophobicContact CB-CG2 3.97Å; M21-T54 HydrophobicContact CE-CG2 3.57Å; M21-T54 WeakPolarHBondContact CE-OG1 3.39Å; M21-T54 HydrophobicContact SD-CG2 4.33Å
22	H	96.1	Very high	80.6	Confident	108 Å²	108	94.5 Å²	94.5	50%	0.5	49%	0.485	S	S	.	.			trans	-98.3	98.9	-178.4	-62.1	84	0	0	0	109.9	P20 T54 L55 E56	P20-H22 PolarHBondContact O-ND1 3.34Å; H22-T54 CarbonylContact O-C 3.46Å; H22-T54 WeakPolarHBondContact O-CA 3.14Å; H22-T54 WeakPolarHBondContact O-CB 3.47Å; H22-L55 HydrophobicContact CB-CB 3.97Å; H22-L55 PolarHBondContact O-N 2.94Å; H22-E56 IonicContact CE1-OE1 3.65Å; H22-E56 IonicContact CG-OE1 3.65Å; H22-E56 PolarHBondContact N-OE2 2.69Å; H22-E56 IonicContact ND1-OE1 2.7Å; H22-E56 PolarHBondContact ND1-OE1 3.07Å; H22-E56 IonicContact ND1-OE2 3.97Å
23	P	97	Very high	83	Confident	112 Å²	112	86.3 Å²	86.3	73%	0.727	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	139	-175.7	27.4	-35.6	0	0	0	112.1	M21	M21-P23 WeakPolarHBondContact O-CD 3.26Å
24	L	97.8	Very high	85.2	Confident	28 Å²	28	82.5 Å²	82.5	15%	0.147	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	151.4	173.9	-58.7	177.8	0	0	0	110.7	Y26 V52 S53 V114	L24-Y26 VanDerWaalsContact CB-O 3.28Å; L24-Y26 WeakPolarHBondContact CB-O 3.32Å; L24-Y26 PolarHBondContact O-N 3.33Å; L24-V52 HydrophobicContact CD1-CG1 3.78Å; L24-S53 WeakPolarHBondContact CB-O 3.42Å; L24-S53 PolarHBondContact N-O 2.79Å; L24-V114 HydrophobicContact CD1-CB 4Å; L24-V114 HydrophobicContact CD1-CG1 4.08Å; L24-V114 HydrophobicContact CD2-CB 4.04Å
25	K	97.2	Very high	87	Confident	131 Å²	131	79.9 Å²	79.9	57%	0.57	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	-32.9	174.9	-178.1	176.8	176.6	177.8	0	113	S116	K25-S116 WeakPolarHBondContact CB-OG 3.43Å
26	Y	97.9	Very high	88.5	Confident	60 Å²	60	81.5 Å²	81.5	24%	0.235	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144	175.9	-64.4	-86.4	0	0	0	108.3	L24 W28 K73 Q122	L24-Y26 VanDerWaalsContact CB-O 3.28Å; L24-Y26 WeakPolarHBondContact CB-O 3.32Å; L24-Y26 PolarHBondContact O-N 3.33Å; Y26-W28 HydrophobicContact CD2-CZ2 4.36Å; Y26-W28 HydrophobicContact CG-CZ2 4.3Å; Y26-W28 PolarHBondContact O-NE1 3.03Å; Y26-K73 HydrophobicContact CD1-CD 3.98Å; Y26-K73 HydrophobicContact CE1-CD 4.44Å; Y26-K73 HydrophobicContact CG-CD 4.43Å; Y26-Q122 HydrophobicContact CD2-CG 3.8Å; Y26-Q122 HydrophobicContact CE2-CB 4.02Å; Y26-Q122 HydrophobicContact CE2-CG 3.29Å
27	S	97.9	Very high	89.8	Confident	45 Å²	45	74.9 Å²	74.9	32%	0.315	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	144.6	165.6	-54.5	0	0	0	0	109.9	V52 K73 R74	S27-V52 CarbonylContact C-O 3.5Å; S27-V52 WeakPolarHBondContact CA-O 3.39Å; S27-K73 WeakPolarHBondContact O-CA 3.49Å; S27-R74 WeakPolarHBondContact O-CB 3.21Å; S27-R74 PolarHBondContact O-N 3.07Å
28	W	98.4	Very high	90.8	Very high	2 Å²	2	77.4 Å²	77.4	1%	0.008	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164.9	-176.7	-53.5	85.8	0	0	0	110.7	Y26 V52 F71 F72 K73 L113	Y26-W28 HydrophobicContact CD2-CZ2 4.36Å; Y26-W28 HydrophobicContact CG-CZ2 4.3Å; Y26-W28 PolarHBondContact O-NE1 3.03Å; W28-V52 HydrophobicContact CB-CB 4.24Å; W28-V52 PolarHBondContact N-O 2.86Å; W28-V52 PolarHBondContact O-N 3.28Å; W28-F71 HydrophobicContact CB-CD1 4.3Å; W28-F71 HydrophobicContact CB-CD2 4.44Å; W28-F71 HydrophobicContact CB-CE1 3.6Å; W28-F71 HydrophobicContact CB-CE2 3.75Å; W28-F71 HydrophobicContact CB-CZ 3.28Å; W28-F71 HydrophobicContact CD2-CD1 4.18Å; W28-F71 AromaticContact CD2-CE1 3.56Å; W28-F71 HydrophobicContact CD2-CE1 3.56Å; W28-F71 HydrophobicContact CD2-CZ 4.16Å; W28-F71 AromaticContact CE3-CD1 3.92Å; W28-F71 HydrophobicContact CE3-CD1 3.92Å; W28-F71 AromaticContact CE3-CE1 3.79Å; W28-F71 HydrophobicContact CE3-CE1 3.79Å; W28-F71 HydrophobicContact CG-CD1 4.33Å; W28-F71 AromaticContact CG-CE1 3.44Å; W28-F71 HydrophobicContact CG-CE1 3.44Å; W28-F71 VanDerWaalsContact CG-CE1 3.44Å; W28-F71 HydrophobicContact CG-CE2 4.44Å; W28-F71 AromaticContact CG-CZ 3.52Å; W28-F71 HydrophobicContact CG-CZ 3.52Å; W28-F72 CarbonylContact C-O 3.49Å; W28-F72 WeakPolarHBondContact CA-O 3.49Å; W28-F72 VanDerWaalsContact CE3-C 3.47Å; W28-K73 HydrophobicContact CD2-CG 4.34Å; W28-K73 HydrophobicContact CE3-CB 4.39Å; W28-K73 HydrophobicContact CE3-CG 3.78Å; W28-K73 HydrophobicContact CH2-CD 4.2Å; W28-K73 HydrophobicContact CH2-CG 3.45Å; W28-K73 VanDerWaalsContact CH2-CG 3.45Å; W28-K73 HydrophobicContact CZ2-CG 4.09Å; W28-K73 HydrophobicContact CZ3-CB 4.27Å; W28-K73 HydrophobicContact CZ3-CD 4.4Å; W28-K73 HydrophobicContact CZ3-CG 3.29Å; W28-L113 HydrophobicContact CD2-CD2 4.26Å; W28-L113 HydrophobicContact CE3-CD2 3.63Å; W28-L113 HydrophobicContact CE3-CG 4.27Å; W28-L113 HydrophobicContact CH2-CD1 3.51Å; W28-L113 HydrophobicContact CH2-CD2 3.47Å; W28-L113 VanDerWaalsContact CH2-CD2 3.47Å; W28-L113 HydrophobicContact CH2-CG 3.26Å; W28-L113 HydrophobicContact CZ2-CD1 4.16Å; W28-L113 HydrophobicContact CZ2-CD2 4.06Å; W28-L113 HydrophobicContact CZ2-CG 3.6Å; W28-L113 HydrophobicContact CZ3-CD1 4.03Å; W28-L113 HydrophobicContact CZ3-CD2 3.2Å; W28-L113 HydrophobicContact CZ3-CG 3.63Å
29	C	98.3	Very high	91.4	Very high	6 Å²	6	75.4 Å²	75.4	4%	0.041	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.2	173.8	-65	0	0	0	0	108.3	R48 A50 F71 F72	C29-R48 HydrophobicContact CB-CG 4.11Å; C29-A50 VanDerWaalsContact CA-O 3.27Å; C29-A50 WeakPolarHBondContact CA-O 3.36Å; C29-F71 WeakPolarHBondContact O-CA 3.4Å; C29-F72 PolarHBondContact N-O 2.94Å; C29-F72 PolarHBondContact O-N 3.23Å
30	L	98.2	Very high	91.8	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.016	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.1	167.4	-177.7	64.3	0	0	0	108.4	V49 A50 W61 I63 L69 Y70 F71 W106	L30-V49 HydrophobicContact CB-CG2 3.96Å; L30-V49 HydrophobicContact CD2-CG2 3.75Å; L30-V49 HydrophobicContact CG-CG2 3.63Å; L30-V49 WeakPolarHBondContact O-CG2 3.19Å; L30-V49 PolarHBondContact O-N 2.7Å; L30-A50 HydrophobicContact CB-CB 3.91Å; L30-A50 PolarHBondContact N-O 3.32Å; L30-A50 PolarHBondContact O-N 3.48Å; L30-W61 HydrophobicContact CD2-CB 4.42Å; L30-W61 HydrophobicContact CD2-CD2 4.44Å; L30-W61 HydrophobicContact CD2-CE3 3.86Å; L30-I63 HydrophobicContact CD2-CD1 3.84Å; L30-I63 HydrophobicContact CD2-CG1 4.43Å; L30-L69 HydrophobicContact CD1-CB 4.48Å; L30-Y70 CarbonylContact C-O 3.38Å; L30-Y70 WeakPolarHBondContact CA-O 3.27Å; L30-F71 HydrophobicContact CB-CD2 4.24Å; L30-F71 HydrophobicContact CD1-CB 4.5Å; L30-F71 HydrophobicContact CD1-CD2 4.26Å; L30-W106 HydrophobicContact CD1-CZ2 4.29Å
31	W	97.7	Very high	92.1	Very high	42 Å²	42	66.7 Å²	66.7	16%	0.159	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.7	173.2	-47.4	68.3	0	0	0	110.2	L46 D47 R48 L69 Y70 P78	W31-L46 HydrophobicContact CB-CD1 3.95Å; W31-L46 HydrophobicContact CE3-CG 4.1Å; W31-D47 CarbonylContact C-O 3.55Å; W31-D47 WeakPolarHBondContact CA-O 3.47Å; W31-D47 WeakPolarHBondContact CB-O 3.45Å; W31-R48 HydrophobicContact CD2-CB 3.8Å; W31-R48 HydrophobicContact CD2-CG 4.05Å; W31-R48 HydrophobicContact CE3-CB 3.59Å; W31-R48 HydrophobicContact CE3-CG 4.34Å; W31-R48 VanDerWaalsContact CE3-N 3.29Å; W31-R48 HydrophobicContact CH2-CB 3.82Å; W31-R48 HydrophobicContact CH2-CG 4.28Å; W31-R48 HydrophobicContact CZ2-CB 4.03Å; W31-R48 HydrophobicContact CZ2-CG 3.99Å; W31-R48 HydrophobicContact CZ3-CB 3.61Å; W31-R48 HydrophobicContact CZ3-CG 4.45Å; W31-L69 WeakPolarHBondContact O-CA 3.28Å; W31-Y70 HydrophobicContact CB-CD2 4.37Å; W31-Y70 PolarHBondContact N-O 3.02Å; W31-Y70 PolarHBondContact O-N 2.9Å; W31-P78 HydrophobicContact CB-CG 4.47Å; W31-P78 HydrophobicContact CD2-CG 4.13Å; W31-P78 HydrophobicContact CG-CG 4.02Å
32	F	95	Very high	91.9	Very high	65 Å²	65	65.8 Å²	65.8	29%	0.285	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.5	177.5	160.8	-88.3	0	0	0	108.2	D34 D47 V49 T67 L69	F32-D34 HydrophobicContact CE1-CB 3.81Å; F32-D34 VanDerWaalsContact CE1-N 3.3Å; F32-D47 PolarHBondContact N-O 3.07Å; F32-D47 PolarHBondContact O-N 3.15Å; F32-V49 HydrophobicContact CB-CG1 3.86Å; F32-T67 HydrophobicContact CD2-CG2 3.12Å; F32-T67 HydrophobicContact CE2-CG2 3.15Å; F32-T67 HydrophobicContact CG-CG2 4.32Å; F32-T67 HydrophobicContact CZ-CG2 4.37Å; F32-L69 HydrophobicContact CB-CD2 4.37Å; F32-L69 HydrophobicContact CD2-CD2 4.35Å
33	L	94	Very high	91.6	Very high	9 Å²	9	66.3 Å²	66.3	5%	0.047	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.7	169.1	-174.9	76.3	0	0	0	109.2	G35 W42 R45 L46 T67 D68 Y70	L33-G35 PolarHBondContact O-N 3.16Å; L33-W42 HydrophobicContact CD1-CD2 4.16Å; L33-W42 HydrophobicContact CD1-CG 4.36Å; L33-W42 HydrophobicContact CD1-CZ2 4.22Å; L33-W42 WeakPolarHBondContact CD1-O 3.43Å; L33-R45 CarbonylContact C-O 3.49Å; L33-R45 WeakPolarHBondContact CA-O 3.34Å; L33-R45 HydrophobicContact CD1-CB 3.83Å; L33-L46 HydrophobicContact CD1-CB 4.13Å; L33-T67 PolarHBondContact O-OG1 3.3Å; L33-T67 VanDerWaalsContact O-OG1 3.1Å; L33-D68 HydrophobicContact CB-CB 3.85Å; L33-D68 HydrophobicContact CD2-CB 4.06Å; L33-D68 PolarHBondContact N-O 2.74Å; L33-D68 VanDerWaalsContact N-O 3.08Å; L33-Y70 HydrophobicContact CB-CE2 4.04Å
34	D	89.8	Confident	91.2	Very high	45 Å²	45	67 Å²	67	24%	0.241	36%	0.362	C	S	.	.			trans	-65.6	117.2	170.8	177.5	18.4	0	0	0	110	F32 E36 S37 R45	F32-D34 HydrophobicContact CE1-CB 3.81Å; F32-D34 VanDerWaalsContact CE1-N 3.3Å; D34-E36 WeakPolarHBondContact OD1-CB 3.19Å; D34-E36 PolarHBondContact OD1-N 3.3Å; D34-S37 WeakPolarHBondContact OD2-CB 3.49Å; D34-S37 PolarHBondContact OD2-N 2.94Å; D34-R45 HydrophobicContact CB-CB 4.15Å; D34-R45 HydrophobicContact CB-CG 4.45Å; D34-R45 PolarHBondContact N-O 3.3Å; D34-R45 WeakPolarHBondContact O-CD 3.42Å; D34-R45 PolarHBondContact O-NH1 2.88Å
35	G	83.7	Confident	90.9	Very high	59 Å²	59	67.7 Å²	67.7	61%	0.608	36%	0.362	S	S	*	.	S	Bend	trans	-89.5	-9.6	178.7	0	0	0	0	0	114.5	L33	L33-G35 PolarHBondContact O-N 3.16Å
36	E	82.2	Confident	90.8	Very high	178 Å²	178	62.2 Å²	62.2	83%	0.832	34%	0.339	S	S	*	.	S	Bend	trans	-90.2	-35.9	-171.7	-61.8	-175.6	178.9	0	0	112.3	D34 T38	D34-E36 WeakPolarHBondContact OD1-CB 3.19Å; D34-E36 PolarHBondContact OD1-N 3.3Å; E36-T38 PolarHBondContact O-N 3.2Å
37	S	79.8	Confident	90.6	Very high	28 Å²	28	63.6 Å²	63.6	20%	0.196	35%	0.351	C	S	.	.			trans	-69.9	122.1	176.6	178.7	0	0	0	0	112.1	D34 T40 R45	D34-S37 WeakPolarHBondContact OD2-CB 3.49Å; D34-S37 PolarHBondContact OD2-N 2.94Å; S37-T40 PolarHBondContact OG-N 2.88Å; S37-T40 PolarHBondContact OG-OG1 3.06Å; S37-R45 WeakPolarHBondContact O-CD 3.5Å
38	T	79.5	Confident	90.5	Very high	143 Å²	143	68.8 Å²	68.8	88%	0.877	36%	0.363	S	S	*	.	S	Bend	trans	-102.8	-9.5	171	61	0	0	0	0	113.3	E36	E36-T38 PolarHBondContact O-N 3.2Å
39	S	84.9	Confident	90.4	Very high	110 Å²	110	71.6 Å²	71.6	77%	0.769	38%	0.38	S	S	*	.	S	Bend	trans	-94.7	-21.6	-173.6	54.8	0	0	0	0	113.6
40	T	87.4	Confident	90.3	Very high	58 Å²	58	71.7 Å²	71.7	36%	0.356	38%	0.382	S	S	.	.	S	Bend	trans	-96.9	155.6	179.4	54	0	0	0	0	112	S37 R45	S37-T40 PolarHBondContact OG-N 2.88Å; S37-T40 PolarHBondContact OG-OG1 3.06Å; T40-R45 WeakPolarHBondContact OG1-CG 3.24Å
41	S	89.1	Confident	90.2	Very high	57 Å²	57	73.4 Å²	73.4	40%	0.399	40%	0.396	S	S	.	.			trans	-61.6	159.1	175.6	67	0	0	0	0	111.1	E43 E44 R45	S41-E43 PolarHBondContact O-N 3.07Å; S41-E44 PolarHBondContact N-OE2 3.34Å; S41-E44 PolarHBondContact O-N 3.23Å; S41-E44 WeakPolarHBondContact OG-CB 3.49Å; S41-E44 VanDerWaalsContact OG-CG 3.22Å; S41-E44 WeakPolarHBondContact OG-CG 3.44Å; S41-E44 PolarHBondContact OG-N 3.01Å; S41-E44 PolarHBondContact OG-OE2 3.36Å; S41-R45 WeakPolarHBondContact O-CG 3.28Å; S41-R45 PolarHBondContact O-N 3.25Å
42	W	89.3	Confident	90.2	Very high	92 Å²	92	71.4 Å²	71.4	35%	0.348	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37	177.1	-179.1	98.9	0	0	0	112.3	L33 R45 L46 Y70 L79	L33-W42 HydrophobicContact CD1-CD2 4.16Å; L33-W42 HydrophobicContact CD1-CG 4.36Å; L33-W42 HydrophobicContact CD1-CZ2 4.22Å; L33-W42 WeakPolarHBondContact CD1-O 3.43Å; W42-R45 PolarHBondContact O-N 3.34Å; W42-L46 HydrophobicContact CH2-CD1 4.44Å; W42-L46 HydrophobicContact CH2-CD2 3.85Å; W42-L46 HydrophobicContact CZ3-CB 4.36Å; W42-L46 HydrophobicContact CZ3-CD2 3.76Å; W42-Y70 HydrophobicContact CZ2-CE1 4.4Å; W42-Y70 WeakPolarHBondContact CZ2-OH 3.47Å; W42-L79 HydrophobicContact CE3-CD2 4.41Å; W42-L79 HydrophobicContact CH2-CD2 4.23Å; W42-L79 HydrophobicContact CZ3-CD2 3.5Å; W42-L79 VanDerWaalsContact CZ3-CD2 3.5Å
43	E	88.2	Confident	90.4	Very high	119 Å²	119	70.3 Å²	70.3	56%	0.556	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-38.8	-177.9	-66.1	176.5	-174.5	0	0	112.1	S41 R45 L46 L79	S41-E43 PolarHBondContact O-N 3.07Å; E43-R45 PolarHBondContact O-N 3.38Å; E43-L46 WeakPolarHBondContact O-CB 3.49Å; E43-L46 PolarHBondContact O-N 3.22Å; E43-L46 VanDerWaalsContact O-N 3.14Å; E43-L79 HydrophobicContact CG-CD2 4.3Å
44	E	89.6	Confident	90.5	Very high	127 Å²	127	70.4 Å²	70.4	59%	0.593	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.2	175.3	-72.7	165.1	154.2	0	0	113	S41 L46	S41-E44 PolarHBondContact N-OE2 3.34Å; S41-E44 PolarHBondContact O-N 3.23Å; S41-E44 WeakPolarHBondContact OG-CB 3.49Å; S41-E44 VanDerWaalsContact OG-CG 3.22Å; S41-E44 WeakPolarHBondContact OG-CG 3.44Å; S41-E44 PolarHBondContact OG-N 3.01Å; S41-E44 PolarHBondContact OG-OE2 3.36Å; E44-L46 VanDerWaalsContact C-N 3.32Å
45	R	92.1	Very high	90.8	Very high	43 Å²	43	71.6 Å²	71.6	16%	0.162	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.8	174.9	-66.9	-177	-61.4	108.2	-6.5	113	L33 D34 S37 T40 S41 W42 E43	L33-R45 CarbonylContact C-O 3.49Å; L33-R45 WeakPolarHBondContact CA-O 3.34Å; L33-R45 HydrophobicContact CD1-CB 3.83Å; D34-R45 HydrophobicContact CB-CB 4.15Å; D34-R45 HydrophobicContact CB-CG 4.45Å; D34-R45 PolarHBondContact N-O 3.3Å; D34-R45 WeakPolarHBondContact O-CD 3.42Å; D34-R45 PolarHBondContact O-NH1 2.88Å; S37-R45 WeakPolarHBondContact O-CD 3.5Å; T40-R45 WeakPolarHBondContact OG1-CG 3.24Å; S41-R45 WeakPolarHBondContact O-CG 3.28Å; S41-R45 PolarHBondContact O-N 3.25Å; W42-R45 PolarHBondContact O-N 3.34Å; E43-R45 PolarHBondContact O-N 3.38Å
46	L	94.8	Very high	91.4	Very high	16 Å²	16	71.6 Å²	71.6	8%	0.084	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	99.7	-176.2	177.7	71.4	0	0	0	110	W31 L33 W42 E43 E44 Y70 P78 L79	W31-L46 HydrophobicContact CB-CD1 3.95Å; W31-L46 HydrophobicContact CE3-CG 4.1Å; L33-L46 HydrophobicContact CD1-CB 4.13Å; W42-L46 HydrophobicContact CH2-CD1 4.44Å; W42-L46 HydrophobicContact CH2-CD2 3.85Å; W42-L46 HydrophobicContact CZ3-CB 4.36Å; W42-L46 HydrophobicContact CZ3-CD2 3.76Å; E43-L46 WeakPolarHBondContact O-CB 3.49Å; E43-L46 PolarHBondContact O-N 3.22Å; E43-L46 VanDerWaalsContact O-N 3.14Å; E44-L46 VanDerWaalsContact C-N 3.32Å; L46-Y70 HydrophobicContact CD1-CD2 3.64Å; L46-Y70 HydrophobicContact CD1-CE2 3.74Å; L46-Y70 HydrophobicContact CD1-CG 4.26Å; L46-P78 HydrophobicContact CD1-CG 4.11Å; L46-P78 HydrophobicContact CD2-CG 3.56Å; L46-P78 HydrophobicContact CG-CG 4.27Å; L46-L79 HydrophobicContact CD2-CD2 4.22Å
47	D	93.9	Very high	92.1	Very high	88 Å²	88	64.9 Å²	64.9	47%	0.471	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.2	-174.9	-75.2	-40.4	0	0	0	112.8	W31 F32 V49	W31-D47 CarbonylContact C-O 3.55Å; W31-D47 WeakPolarHBondContact CA-O 3.47Å; W31-D47 WeakPolarHBondContact CB-O 3.45Å; F32-D47 PolarHBondContact N-O 3.07Å; F32-D47 PolarHBondContact O-N 3.15Å; D47-V49 PolarHBondContact O-N 3.24Å
48	R	95.6	Very high	92.9	Very high	154 Å²	154	64 Å²	64	58%	0.581	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	109.9	170.5	-166.3	-174.6	76.9	-162	4.7	109.4	C29 W31	C29-R48 HydrophobicContact CB-CG 4.11Å; W31-R48 HydrophobicContact CD2-CB 3.8Å; W31-R48 HydrophobicContact CD2-CG 4.05Å; W31-R48 HydrophobicContact CE3-CB 3.59Å; W31-R48 HydrophobicContact CE3-CG 4.34Å; W31-R48 VanDerWaalsContact CE3-N 3.29Å; W31-R48 HydrophobicContact CH2-CB 3.82Å; W31-R48 HydrophobicContact CH2-CG 4.28Å; W31-R48 HydrophobicContact CZ2-CB 4.03Å; W31-R48 HydrophobicContact CZ2-CG 3.99Å; W31-R48 HydrophobicContact CZ3-CB 3.61Å; W31-R48 HydrophobicContact CZ3-CG 4.45Å
49	V	95.2	Very high	93.6	Very high	61 Å²	61	61.8 Å²	61.8	37%	0.37	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-24.7	-176.2	-62.9	0	0	0	0	113.5	L30 F32 D47 W61	L30-V49 HydrophobicContact CB-CG2 3.96Å; L30-V49 HydrophobicContact CD2-CG2 3.75Å; L30-V49 HydrophobicContact CG-CG2 3.63Å; L30-V49 WeakPolarHBondContact O-CG2 3.19Å; L30-V49 PolarHBondContact O-N 2.7Å; F32-V49 HydrophobicContact CB-CG1 3.86Å; D47-V49 PolarHBondContact O-N 3.24Å; V49-W61 HydrophobicContact CG2-CZ3 4.44Å
50	A	96.1	Very high	94	Very high	8 Å²	8	61.4 Å²	61.4	7%	0.066	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.2	-178	0	0	0	0	0	113.7	C29 L30 W61	C29-A50 VanDerWaalsContact CA-O 3.27Å; C29-A50 WeakPolarHBondContact CA-O 3.36Å; L30-A50 HydrophobicContact CB-CB 3.91Å; L30-A50 PolarHBondContact N-O 3.32Å; L30-A50 PolarHBondContact O-N 3.48Å; A50-W61 HydrophobicContact CB-CD2 3.48Å; A50-W61 VanDerWaalsContact CB-CD2 3.48Å; A50-W61 HydrophobicContact CB-CE3 4.06Å; A50-W61 HydrophobicContact CB-CG 3.81Å; A50-W61 HydrophobicContact CB-CH2 4.14Å; A50-W61 HydrophobicContact CB-CZ2 3.6Å; A50-W61 HydrophobicContact CB-CZ3 4.35Å
51	A	97.3	Very high	94.2	Very high	39 Å²	39	63.3 Å²	63.3	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.2	163.3	0	0	0	0	0	108.9
52	V	97.8	Very high	94.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107.7	-176	172.7	0	0	0	0	109	L24 S27 W28 D57 W61 F71	L24-V52 HydrophobicContact CD1-CG1 3.78Å; S27-V52 CarbonylContact C-O 3.5Å; S27-V52 WeakPolarHBondContact CA-O 3.39Å; W28-V52 HydrophobicContact CB-CB 4.24Å; W28-V52 PolarHBondContact N-O 2.86Å; W28-V52 PolarHBondContact O-N 3.28Å; V52-D57 HydrophobicContact CB-CB 4.24Å; V52-D57 HydrophobicContact CG1-CB 4.06Å; V52-D57 HydrophobicContact CG2-CB 4.3Å; V52-W61 HydrophobicContact CG2-CB 4.46Å; V52-W61 HydrophobicContact CG2-CG 4.48Å; V52-F71 HydrophobicContact CB-CE2 4.15Å; V52-F71 HydrophobicContact CB-CZ 4.26Å; V52-F71 HydrophobicContact CG1-CE2 4.41Å; V52-F71 HydrophobicContact CG1-CZ 4.13Å; V52-F71 HydrophobicContact CG2-CE2 4.04Å
53	S	97.6	Very high	94.5	Very high	42 Å²	42	62.7 Å²	62.7	29%	0.294	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-18.3	-177.1	28.9	0	0	0	0	113.1	L24 D57	L24-S53 WeakPolarHBondContact CB-O 3.42Å; L24-S53 PolarHBondContact N-O 2.79Å; S53-D57 WeakPolarHBondContact CA-OD2 3.4Å; S53-D57 PolarHBondContact N-OD2 3.18Å; S53-D57 PolarHBondContact OG-OD2 3.22Å
54	T	97.4	Very high	94.8	Very high	12 Å²	12	65 Å²	65	7%	0.074	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	164.6	-179.2	67.2	0	0	0	0	110.7	M21 H22 E56 D57 Y58	M21-T54 HydrophobicContact CB-CG2 3.97Å; M21-T54 HydrophobicContact CE-CG2 3.57Å; M21-T54 WeakPolarHBondContact CE-OG1 3.39Å; M21-T54 HydrophobicContact SD-CG2 4.33Å; H22-T54 CarbonylContact O-C 3.46Å; H22-T54 WeakPolarHBondContact O-CA 3.14Å; H22-T54 WeakPolarHBondContact O-CB 3.47Å; T54-E56 WeakPolarHBondContact CB-OE2 3.19Å; T54-E56 PolarHBondContact O-N 3.44Å; T54-D57 PolarHBondContact N-OD2 3.02Å; T54-D57 PolarHBondContact O-N 3.32Å; T54-D57 PolarHBondContact OG1-N 3.27Å; T54-D57 PolarHBondContact OG1-OD1 2.86Å; T54-D57 PolarHBondContact OG1-OD2 3.44Å; T54-Y58 PolarHBondContact O-N 3.3Å; T54-Y58 VanDerWaalsContact O-N 3.14Å
55	L	96.5	Very high	95	Very high	69 Å²	69	59.4 Å²	59.4	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-35.3	174.5	-177.3	60.2	0	0	0	111.1	H22 Y58 I59	H22-L55 HydrophobicContact CB-CB 3.97Å; H22-L55 PolarHBondContact O-N 2.94Å; L55-Y58 HydrophobicContact CD1-CD1 4.15Å; L55-Y58 WeakPolarHBondContact O-CB 3.48Å; L55-Y58 PolarHBondContact O-N 3.45Å; L55-I59 HydrophobicContact CG-CD1 4.1Å; L55-I59 VanDerWaalsContact O-CG1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 3.25Å
56	E	95.9	Very high	95	Very high	59 Å²	59	62.4 Å²	62.4	28%	0.276	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-44.1	176.9	-65.3	70.2	-154.8	0	0	111.2	H22 T54 Y58 I59 C60	H22-E56 IonicContact CE1-OE1 3.65Å; H22-E56 IonicContact CG-OE1 3.65Å; H22-E56 PolarHBondContact N-OE2 2.69Å; H22-E56 IonicContact ND1-OE1 2.7Å; H22-E56 PolarHBondContact ND1-OE1 3.07Å; H22-E56 IonicContact ND1-OE2 3.97Å; T54-E56 WeakPolarHBondContact CB-OE2 3.19Å; T54-E56 PolarHBondContact O-N 3.44Å; E56-Y58 PolarHBondContact O-N 3.14Å; E56-I59 PolarHBondContact O-N 3.37Å; E56-C60 PolarHBondContact O-N 3.45Å; E56-C60 VanDerWaalsContact O-N 3.07Å; E56-C60 PolarHBondContact O-SG 2.88Å; E56-C60 VanDerWaalsContact O-SG 3.36Å
57	D	95.8	Very high	95	Very high	37 Å²	37	62.8 Å²	62.8	20%	0.198	33%	0.327	C	S	.	.	H	α-helix	trans	-56	-45.2	172.3	-60.1	-28.8	0	0	0	109.9	V52 S53 T54 I59 C60 W61	V52-D57 HydrophobicContact CB-CB 4.24Å; V52-D57 HydrophobicContact CG1-CB 4.06Å; V52-D57 HydrophobicContact CG2-CB 4.3Å; S53-D57 WeakPolarHBondContact CA-OD2 3.4Å; S53-D57 PolarHBondContact N-OD2 3.18Å; S53-D57 PolarHBondContact OG-OD2 3.22Å; T54-D57 PolarHBondContact N-OD2 3.02Å; T54-D57 PolarHBondContact O-N 3.32Å; T54-D57 PolarHBondContact OG1-N 3.27Å; T54-D57 PolarHBondContact OG1-OD1 2.86Å; T54-D57 PolarHBondContact OG1-OD2 3.44Å; D57-I59 PolarHBondContact O-N 3.32Å; D57-C60 PolarHBondContact O-N 3.4Å; D57-W61 PolarHBondContact O-N 3.48Å
58	Y	96	Very high	95.1	Very high	11 Å²	11	58.8 Å²	58.8	4%	0.043	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-44.8	179.9	170.1	-108.8	0	0	0	112.2	T54 L55 E56 C60 W61 L62 M107 L110 I111 V114	T54-Y58 PolarHBondContact O-N 3.3Å; T54-Y58 VanDerWaalsContact O-N 3.14Å; L55-Y58 HydrophobicContact CD1-CD1 4.15Å; L55-Y58 WeakPolarHBondContact O-CB 3.48Å; L55-Y58 PolarHBondContact O-N 3.45Å; E56-Y58 PolarHBondContact O-N 3.14Å; Y58-C60 VanDerWaalsContact C-N 3.3Å; Y58-C60 PolarHBondContact O-N 3.35Å; Y58-W61 CarbonylContact O-C 3.49Å; Y58-W61 PolarHBondContact O-N 2.88Å; Y58-L62 HydrophobicContact CE1-CD1 4.48Å; Y58-L62 HydrophobicContact CE1-CD2 3.74Å; Y58-L62 HydrophobicContact CE1-CG 4.2Å; Y58-L62 HydrophobicContact CE2-CD2 3.96Å; Y58-L62 PolarHBondContact O-N 2.81Å; Y58-L62 WeakPolarHBondContact OH-CD2 3.46Å; Y58-M107 PolarHBondContact OH-O 3.19Å; Y58-L110 HydrophobicContact CE2-CB 3.77Å; Y58-L110 HydrophobicContact CE2-CD1 4.15Å; Y58-I111 HydrophobicContact CE1-CG1 4.15Å; Y58-I111 VanDerWaalsContact OH-CG1 3.28Å; Y58-I111 WeakPolarHBondContact OH-CG1 3.19Å; Y58-I111 PolarHBondContact OH-N 3.23Å; Y58-V114 HydrophobicContact CD1-CG2 3.99Å; Y58-V114 HydrophobicContact CD2-CG1 3.91Å; Y58-V114 HydrophobicContact CD2-CG2 4.37Å; Y58-V114 HydrophobicContact CE1-CG2 4.11Å; Y58-V114 HydrophobicContact CE2-CG1 4.34Å; Y58-V114 HydrophobicContact CG-CG1 4.2Å; Y58-V114 HydrophobicContact CG-CG2 4.1Å
59	I	94.7	Very high	95.2	Very high	95 Å²	95	51.5 Å²	51.5	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-41.6	179.3	-69.2	163.3	0	0	0	110.8	L55 E56 D57 W61 L62	L55-I59 HydrophobicContact CG-CD1 4.1Å; L55-I59 VanDerWaalsContact O-CG1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 3.25Å; E56-I59 PolarHBondContact O-N 3.37Å; D57-I59 PolarHBondContact O-N 3.32Å; I59-W61 PolarHBondContact O-N 2.82Å; I59-L62 WeakPolarHBondContact O-CB 3.49Å; I59-L62 PolarHBondContact O-N 3.46Å
60	C	93.7	Very high	95.4	Very high	102 Å²	102	49 Å²	49	69%	0.689	26%	0.262	S	S	*	.	H	α-helix	trans	-60.6	-26.7	175.6	-69.4	0	0	0	0	113.3	E56 D57 Y58	E56-C60 PolarHBondContact O-N 3.45Å; E56-C60 VanDerWaalsContact O-N 3.07Å; E56-C60 PolarHBondContact O-SG 2.88Å; E56-C60 VanDerWaalsContact O-SG 3.36Å; D57-C60 PolarHBondContact O-N 3.4Å; Y58-C60 VanDerWaalsContact C-N 3.3Å; Y58-C60 PolarHBondContact O-N 3.35Å
61	W	91.9	Very high	95.5	Very high	98 Å²	98	48.8 Å²	48.8	37%	0.371	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	21.4	-177.9	-67.9	104.8	0	0	0	113.6	L30 V49 A50 V52 D57 Y58 I59 I63	L30-W61 HydrophobicContact CD2-CB 4.42Å; L30-W61 HydrophobicContact CD2-CD2 4.44Å; L30-W61 HydrophobicContact CD2-CE3 3.86Å; V49-W61 HydrophobicContact CG2-CZ3 4.44Å; A50-W61 HydrophobicContact CB-CD2 3.48Å; A50-W61 VanDerWaalsContact CB-CD2 3.48Å; A50-W61 HydrophobicContact CB-CE3 4.06Å; A50-W61 HydrophobicContact CB-CG 3.81Å; A50-W61 HydrophobicContact CB-CH2 4.14Å; A50-W61 HydrophobicContact CB-CZ2 3.6Å; A50-W61 HydrophobicContact CB-CZ3 4.35Å; V52-W61 HydrophobicContact CG2-CB 4.46Å; V52-W61 HydrophobicContact CG2-CG 4.48Å; D57-W61 PolarHBondContact O-N 3.48Å; Y58-W61 CarbonylContact O-C 3.49Å; Y58-W61 PolarHBondContact O-N 2.88Å; I59-W61 PolarHBondContact O-N 2.82Å; W61-I63 VanDerWaalsContact C-N 3.26Å; W61-I63 PolarHBondContact O-N 3.33Å
62	L	91.3	Very high	95.6	Very high	80 Å²	80	47 Å²	47	42%	0.419	24%	0.244	S	C	.	.			trans	-70.8	82.6	166.4	-78.3	174.5	0	0	0	110.4	Y58 I59	Y58-L62 HydrophobicContact CE1-CD1 4.48Å; Y58-L62 HydrophobicContact CE1-CD2 3.74Å; Y58-L62 HydrophobicContact CE1-CG 4.2Å; Y58-L62 HydrophobicContact CE2-CD2 3.96Å; Y58-L62 PolarHBondContact O-N 2.81Å; Y58-L62 WeakPolarHBondContact OH-CD2 3.46Å; I59-L62 WeakPolarHBondContact O-CB 3.49Å; I59-L62 PolarHBondContact O-N 3.46Å
63	I	92.7	Very high	95.6	Very high	56 Å²	56	47.8 Å²	47.8	29%	0.287	25%	0.248	S	C	.	.			trans	-104.9	154	-179.4	65.2	169.6	0	0	0	112.3	L30 W61 L69	L30-I63 HydrophobicContact CD2-CD1 3.84Å; L30-I63 HydrophobicContact CD2-CG1 4.43Å; W61-I63 VanDerWaalsContact C-N 3.26Å; W61-I63 PolarHBondContact O-N 3.33Å; I63-L69 HydrophobicContact CD1-CD1 3.7Å; I63-L69 HydrophobicContact CD1-CD2 3.95Å; I63-L69 HydrophobicContact CG1-CD1 4.02Å
64	R	94.2	Very high	95.6	Very high	169 Å²	169	52.2 Å²	52.2	64%	0.638	26%	0.258	S	S	*	.			trans	-73.7	149.8	169.2	-66	-176.9	63.3	-161.3	-4.9	110.7	C66 D103 M107	R64-C66 PolarHBondContact O-N 3.23Å; R64-D103 IonicContact CZ-OD2 3.54Å; R64-D103 IonicContact NE-OD2 3.4Å; R64-D103 PolarHBondContact NE-OD2 3.41Å; R64-D103 IonicContact NH2-OD2 2.95Å; R64-D103 PolarHBondContact NH2-OD2 2.96Å; R64-M107 HydrophobicContact CG-CE 4.46Å
65	V	95	Very high	95.6	Very high	9 Å²	9	55.2 Å²	55.2	6%	0.055	29%	0.291	C	S	.	.			trans	-82.3	97	177.3	-175.1	0	0	0	0	109.2	L69 M102 D103 W106 A130 V132	V65-L69 HydrophobicContact CG2-CD1 4.35Å; V65-M102 HydrophobicContact CB-CG 4.45Å; V65-M102 HydrophobicContact CG1-CE 3.61Å; V65-M102 HydrophobicContact CG1-CG 4.27Å; V65-M102 HydrophobicContact CG1-SD 3.95Å; V65-D103 WeakPolarHBondContact CB-OD1 3.41Å; V65-D103 PolarHBondContact N-OD1 2.94Å; V65-W106 HydrophobicContact CG2-CB 3.65Å; V65-W106 VanDerWaalsContact CG2-CD1 3.49Å; V65-W106 HydrophobicContact CG2-CD2 4.06Å; V65-W106 HydrophobicContact CG2-CG 3.46Å; V65-W106 VanDerWaalsContact CG2-CG 3.46Å; V65-A130 HydrophobicContact CG1-CB 3.72Å; V65-A130 HydrophobicContact CG2-CB 4.28Å; V65-V132 HydrophobicContact CG1-CG2 3.48Å; V65-V132 VanDerWaalsContact CG1-CG2 3.48Å
66	C	92.4	Very high	95.7	Very high	106 Å²	106	53 Å²	53	72%	0.716	28%	0.28	S	S	*	.	S	Bend	trans	-106	-12.2	174	58.9	0	0	0	0	113.7	R64	R64-C66 PolarHBondContact O-N 3.23Å
67	T	93.8	Very high	95.7	Very high	23 Å²	23	55.8 Å²	55.8	14%	0.141	29%	0.287	C	S	.	.	S	Bend	trans	-151.5	-176.2	-174.9	-170.6	0	0	0	0	109.6	F32 L33 L69 V132	F32-T67 HydrophobicContact CD2-CG2 3.12Å; F32-T67 HydrophobicContact CE2-CG2 3.15Å; F32-T67 HydrophobicContact CG-CG2 4.32Å; F32-T67 HydrophobicContact CZ-CG2 4.37Å; L33-T67 PolarHBondContact O-OG1 3.3Å; L33-T67 VanDerWaalsContact O-OG1 3.1Å; T67-L69 HydrophobicContact CG2-CD2 3.82Å; T67-L69 HydrophobicContact CG2-CG 4.2Å; T67-L69 PolarHBondContact O-N 3.04Å; T67-V132 WeakPolarHBondContact O-CG2 3.38Å
68	D	96.7	Very high	95.8	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.279	C	S	.	.			trans	-67.9	119.8	169.6	-72.7	15.6	0	0	0	110.4	L33 Y70 A130 N131 V132 R133	L33-D68 HydrophobicContact CB-CB 3.85Å; L33-D68 HydrophobicContact CD2-CB 4.06Å; L33-D68 PolarHBondContact N-O 2.74Å; L33-D68 VanDerWaalsContact N-O 3.08Å; D68-Y70 HydrophobicContact CB-CE2 3.86Å; D68-A130 CarbonylContact C-O 3.52Å; D68-A130 WeakPolarHBondContact CA-O 3.26Å; D68-N131 VanDerWaalsContact OD1-CA 3.27Å; D68-N131 WeakPolarHBondContact OD1-CA 3.29Å; D68-N131 PolarHBondContact OD2-ND2 3.26Å; D68-V132 PolarHBondContact OD1-N 2.89Å; D68-R133 IonicContact OD1-CZ 2.96Å; D68-R133 IonicContact OD1-NH1 2.67Å; D68-R133 PolarHBondContact OD1-NH1 3.03Å; D68-R133 IonicContact OD2-CZ 3.41Å; D68-R133 IonicContact OD2-NH1 2.71Å; D68-R133 PolarHBondContact OD2-NH1 3.38Å; D68-R133 IonicContact OD2-NH2 3.86Å; D68-R133 PolarHBondContact OD2-NH2 2.62Å
69	L	98	Very high	95.7	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.8	178.7	-63.1	176.4	0	0	0	110.2	L30 W31 F32 I63 V65 T67 W106 V129 A130	L30-L69 HydrophobicContact CD1-CB 4.48Å; W31-L69 WeakPolarHBondContact O-CA 3.28Å; F32-L69 HydrophobicContact CB-CD2 4.37Å; F32-L69 HydrophobicContact CD2-CD2 4.35Å; I63-L69 HydrophobicContact CD1-CD1 3.7Å; I63-L69 HydrophobicContact CD1-CD2 3.95Å; I63-L69 HydrophobicContact CG1-CD1 4.02Å; V65-L69 HydrophobicContact CG2-CD1 4.35Å; T67-L69 HydrophobicContact CG2-CD2 3.82Å; T67-L69 HydrophobicContact CG2-CG 4.2Å; T67-L69 PolarHBondContact O-N 3.04Å; L69-W106 HydrophobicContact CB-CH2 3.91Å; L69-W106 HydrophobicContact CB-CZ2 3.85Å; L69-W106 HydrophobicContact CD1-CZ2 4.17Å; L69-V129 CarbonylContact O-C 3.59Å; L69-V129 WeakPolarHBondContact O-CA 3.27Å; L69-A130 HydrophobicContact CB-CB 4.34Å; L69-A130 PolarHBondContact N-O 2.9Å; L69-A130 PolarHBondContact O-N 2.75Å
70	Y	98.4	Very high	95.6	Very high	8 Å²	8	55.6 Å²	55.6	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	120.8	-179.9	-48.7	-108.3	0	0	0	108.7	L30 W31 L33 W42 L46 D68 F72 P78 V129	L30-Y70 CarbonylContact C-O 3.38Å; L30-Y70 WeakPolarHBondContact CA-O 3.27Å; W31-Y70 HydrophobicContact CB-CD2 4.37Å; W31-Y70 PolarHBondContact N-O 3.02Å; W31-Y70 PolarHBondContact O-N 2.9Å; L33-Y70 HydrophobicContact CB-CE2 4.04Å; W42-Y70 HydrophobicContact CZ2-CE1 4.4Å; W42-Y70 WeakPolarHBondContact CZ2-OH 3.47Å; L46-Y70 HydrophobicContact CD1-CD2 3.64Å; L46-Y70 HydrophobicContact CD1-CE2 3.74Å; L46-Y70 HydrophobicContact CD1-CG 4.26Å; D68-Y70 HydrophobicContact CB-CE2 3.86Å; Y70-F72 HydrophobicContact CD1-CE2 4.31Å; Y70-P78 HydrophobicContact CD1-CB 3.57Å; Y70-P78 HydrophobicContact CD1-CG 4.21Å; Y70-P78 HydrophobicContact CE1-CB 4.48Å; Y70-P78 HydrophobicContact CG-CB 3.9Å; Y70-P78 HydrophobicContact CG-CG 4.14Å; Y70-V129 HydrophobicContact CD1-CB 4.25Å; Y70-V129 HydrophobicContact CD1-CG1 3.69Å; Y70-V129 HydrophobicContact CD1-CG2 3.62Å; Y70-V129 HydrophobicContact CE1-CG1 3.54Å; Y70-V129 HydrophobicContact CE1-CG2 4.12Å; Y70-V129 HydrophobicContact CG-CG1 4.43Å; Y70-V129 HydrophobicContact CG-CG2 4.49Å
71	F	98.5	Very high	95.5	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	99.2	177.5	-170	-101.1	0	0	0	109.3	W28 C29 L30 V52 W106 L110 L113 V114 G127 V128	W28-F71 HydrophobicContact CB-CD1 4.3Å; W28-F71 HydrophobicContact CB-CD2 4.44Å; W28-F71 HydrophobicContact CB-CE1 3.6Å; W28-F71 HydrophobicContact CB-CE2 3.75Å; W28-F71 HydrophobicContact CB-CZ 3.28Å; W28-F71 HydrophobicContact CD2-CD1 4.18Å; W28-F71 AromaticContact CD2-CE1 3.56Å; W28-F71 HydrophobicContact CD2-CE1 3.56Å; W28-F71 HydrophobicContact CD2-CZ 4.16Å; W28-F71 AromaticContact CE3-CD1 3.92Å; W28-F71 HydrophobicContact CE3-CD1 3.92Å; W28-F71 AromaticContact CE3-CE1 3.79Å; W28-F71 HydrophobicContact CE3-CE1 3.79Å; W28-F71 HydrophobicContact CG-CD1 4.33Å; W28-F71 AromaticContact CG-CE1 3.44Å; W28-F71 HydrophobicContact CG-CE1 3.44Å; W28-F71 VanDerWaalsContact CG-CE1 3.44Å; W28-F71 HydrophobicContact CG-CE2 4.44Å; W28-F71 AromaticContact CG-CZ 3.52Å; W28-F71 HydrophobicContact CG-CZ 3.52Å; C29-F71 WeakPolarHBondContact O-CA 3.4Å; L30-F71 HydrophobicContact CB-CD2 4.24Å; L30-F71 HydrophobicContact CD1-CB 4.5Å; L30-F71 HydrophobicContact CD1-CD2 4.26Å; V52-F71 HydrophobicContact CB-CE2 4.15Å; V52-F71 HydrophobicContact CB-CZ 4.26Å; V52-F71 HydrophobicContact CG1-CE2 4.41Å; V52-F71 HydrophobicContact CG1-CZ 4.13Å; V52-F71 HydrophobicContact CG2-CE2 4.04Å; F71-W106 HydrophobicContact CB-CH2 3.78Å; F71-W106 HydrophobicContact CB-CZ2 4.22Å; F71-L110 HydrophobicContact CB-CD1 4.34Å; F71-L110 HydrophobicContact CB-CD2 3.78Å; F71-L110 HydrophobicContact CD1-CD1 4.36Å; F71-L110 HydrophobicContact CD1-CD2 3.57Å; F71-L110 HydrophobicContact CD1-CG 4.49Å; F71-L110 HydrophobicContact CD2-CD1 4.38Å; F71-L110 HydrophobicContact CE1-CD2 4.34Å; F71-L110 HydrophobicContact CG-CD1 4.12Å; F71-L110 HydrophobicContact CG-CD2 3.84Å; F71-L113 HydrophobicContact CD1-CD2 3.7Å; F71-L113 HydrophobicContact CE1-CD2 3.99Å; F71-V114 HydrophobicContact CE1-CG1 3.83Å; F71-V114 HydrophobicContact CZ-CG1 3.86Å; F71-G127 CarbonylContact O-C 3.57Å; F71-G127 WeakPolarHBondContact O-CA 3.44Å; F71-V128 PolarHBondContact N-O 3.23Å; F71-V128 PolarHBondContact O-N 2.73Å
72	F	98.6	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.9	-169	-85.6	-114.1	0	0	0	111.4	W28 C29 Y70 R74 I76 P78 C126 V129 W142	W28-F72 CarbonylContact C-O 3.49Å; W28-F72 WeakPolarHBondContact CA-O 3.49Å; W28-F72 VanDerWaalsContact CE3-C 3.47Å; C29-F72 PolarHBondContact N-O 2.94Å; C29-F72 PolarHBondContact O-N 3.23Å; Y70-F72 HydrophobicContact CD1-CE2 4.31Å; F72-R74 PolarHBondContact O-N 3.25Å; F72-I76 HydrophobicContact CD1-CB 4.42Å; F72-I76 HydrophobicContact CD1-CG2 3.85Å; F72-I76 HydrophobicContact CE1-CG2 4.46Å; F72-P78 HydrophobicContact CD1-CB 4.21Å; F72-P78 HydrophobicContact CD2-CB 3.75Å; F72-P78 HydrophobicContact CE1-CB 4.08Å; F72-P78 HydrophobicContact CE2-CB 3.65Å; F72-P78 HydrophobicContact CG-CB 4.04Å; F72-P78 HydrophobicContact CZ-CB 3.8Å; F72-C126 HydrophobicContact CD1-CB 4.26Å; F72-C126 HydrophobicContact CE1-CB 4.12Å; F72-V129 HydrophobicContact CE2-CG2 3.55Å; F72-V129 HydrophobicContact CZ-CG2 3.84Å; F72-W142 HydrophobicContact CE1-CB 4.27Å; F72-W142 HydrophobicContact CE1-CD2 4.23Å; F72-W142 AromaticContact CE1-CE3 3.97Å; F72-W142 HydrophobicContact CE1-CE3 3.97Å; F72-W142 HydrophobicContact CE1-CG 4.38Å; F72-W142 HydrophobicContact CZ-CB 4.1Å; F72-W142 AromaticContact CZ-CD2 3.76Å; F72-W142 HydrophobicContact CZ-CD2 3.76Å; F72-W142 AromaticContact CZ-CE3 3.9Å; F72-W142 HydrophobicContact CZ-CE3 3.9Å; F72-W142 AromaticContact CZ-CG 3.85Å; F72-W142 HydrophobicContact CZ-CG 3.85Å
73	K	98.6	Very high	95.9	Very high	17 Å²	17	51 Å²	51	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	142.2	171.3	-70.2	179.6	177.6	153.7	0	109.8	Y26 S27 W28 G75 I76 Q122 A123 I125 C126	Y26-K73 HydrophobicContact CD1-CD 3.98Å; Y26-K73 HydrophobicContact CE1-CD 4.44Å; Y26-K73 HydrophobicContact CG-CD 4.43Å; S27-K73 WeakPolarHBondContact O-CA 3.49Å; W28-K73 HydrophobicContact CD2-CG 4.34Å; W28-K73 HydrophobicContact CE3-CB 4.39Å; W28-K73 HydrophobicContact CE3-CG 3.78Å; W28-K73 HydrophobicContact CH2-CD 4.2Å; W28-K73 HydrophobicContact CH2-CG 3.45Å; W28-K73 VanDerWaalsContact CH2-CG 3.45Å; W28-K73 HydrophobicContact CZ2-CG 4.09Å; W28-K73 HydrophobicContact CZ3-CB 4.27Å; W28-K73 HydrophobicContact CZ3-CD 4.4Å; W28-K73 HydrophobicContact CZ3-CG 3.29Å; K73-G75 PolarHBondContact O-N 2.97Å; K73-I76 HydrophobicContact CB-CD1 3.93Å; K73-I76 HydrophobicContact CB-CG1 4.33Å; K73-I76 HydrophobicContact CD-CD1 4.37Å; K73-I76 PolarHBondContact O-N 3.4Å; K73-Q122 PolarHBondContact NZ-O 3.32Å; K73-A123 PolarHBondContact NZ-O 2.86Å; K73-I125 WeakPolarHBondContact CE-O 3.43Å; K73-I125 PolarHBondContact NZ-O 3.48Å; K73-C126 PolarHBondContact N-O 3.05Å
74	R	98	Very high	96.1	Very high	136 Å²	136	49.8 Å²	49.8	51%	0.513	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	132.3	174.4	-179.3	-179.4	-73.9	-124.9	9.9	109.8	S27 F72	S27-R74 WeakPolarHBondContact O-CB 3.21Å; S27-R74 PolarHBondContact O-N 3.07Å; F72-R74 PolarHBondContact O-N 3.25Å
75	G	97.3	Very high	96.2	Very high	74 Å²	74	41.7 Å²	41.7	76%	0.763	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.9	-7.4	-178.3	0	0	0	0	0	114.9	K73	K73-G75 PolarHBondContact O-N 2.97Å
76	I	98.2	Very high	96.1	Very high	24 Å²	24	43.6 Å²	43.6	12%	0.123	24%	0.24	C	C	.	.			trans	-105.3	120.4	172.8	-54.4	179.9	0	0	0	108.4	F72 K73 A84 C126	F72-I76 HydrophobicContact CD1-CB 4.42Å; F72-I76 HydrophobicContact CD1-CG2 3.85Å; F72-I76 HydrophobicContact CE1-CG2 4.46Å; K73-I76 HydrophobicContact CB-CD1 3.93Å; K73-I76 HydrophobicContact CB-CG1 4.33Å; K73-I76 HydrophobicContact CD-CD1 4.37Å; K73-I76 PolarHBondContact O-N 3.4Å; I76-A84 HydrophobicContact CB-CB 4.42Å; I76-A84 HydrophobicContact CD1-CB 3.72Å; I76-A84 HydrophobicContact CG1-CB 3.76Å; I76-A84 HydrophobicContact CG2-CB 3.9Å; I76-C126 HydrophobicContact CD1-CB 4.15Å; I76-C126 HydrophobicContact CG2-CB 4.37Å
77	R	96.9	Very high	96.1	Very high	116 Å²	116	43 Å²	43	44%	0.438	23%	0.23	S	C	.	.			trans	-77.3	144	172.1	-59.9	179	-63.3	156	8.1	109.1	L79 D82 N85	R77-L79 HydrophobicContact CB-CB 4.46Å; R77-L79 HydrophobicContact CB-CD1 4.17Å; R77-L79 HydrophobicContact CB-CG 4.09Å; R77-L79 PolarHBondContact O-N 3.39Å; R77-D82 HydrophobicContact CB-CB 4.43Å; R77-D82 WeakPolarHBondContact CB-OD2 3.49Å; R77-D82 PolarHBondContact N-OD2 3.41Å; R77-D82 IonicContact NE-OD2 2.68Å; R77-D82 PolarHBondContact NE-OD2 3.34Å; R77-N85 PolarHBondContact O-ND2 3.03Å
78	P	96.7	Very high	96.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.013	22%	0.223	C	C	.	.	S	Bend	trans	-77.1	46.8	176.6	33.3	-34.4	0	0	0	112	W31 L46 Y70 F72	W31-P78 HydrophobicContact CB-CG 4.47Å; W31-P78 HydrophobicContact CD2-CG 4.13Å; W31-P78 HydrophobicContact CG-CG 4.02Å; L46-P78 HydrophobicContact CD1-CG 4.11Å; L46-P78 HydrophobicContact CD2-CG 3.56Å; L46-P78 HydrophobicContact CG-CG 4.27Å; Y70-P78 HydrophobicContact CD1-CB 3.57Å; Y70-P78 HydrophobicContact CD1-CG 4.21Å; Y70-P78 HydrophobicContact CE1-CB 4.48Å; Y70-P78 HydrophobicContact CG-CB 3.9Å; Y70-P78 HydrophobicContact CG-CG 4.14Å; F72-P78 HydrophobicContact CD1-CB 4.21Å; F72-P78 HydrophobicContact CD2-CB 3.75Å; F72-P78 HydrophobicContact CE1-CB 4.08Å; F72-P78 HydrophobicContact CE2-CB 3.65Å; F72-P78 HydrophobicContact CG-CB 4.04Å; F72-P78 HydrophobicContact CZ-CB 3.8Å
79	L	94.8	Very high	96.2	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.079	22%	0.222	C	C	.	.	S	Bend	trans	-113.6	140.6	177.4	-58.2	176	0	0	0	109	W42 E43 L46 R77 D81 D82 N85	W42-L79 HydrophobicContact CE3-CD2 4.41Å; W42-L79 HydrophobicContact CH2-CD2 4.23Å; W42-L79 HydrophobicContact CZ3-CD2 3.5Å; W42-L79 VanDerWaalsContact CZ3-CD2 3.5Å; E43-L79 HydrophobicContact CG-CD2 4.3Å; L46-L79 HydrophobicContact CD2-CD2 4.22Å; R77-L79 HydrophobicContact CB-CB 4.46Å; R77-L79 HydrophobicContact CB-CD1 4.17Å; R77-L79 HydrophobicContact CB-CG 4.09Å; R77-L79 PolarHBondContact O-N 3.39Å; L79-D81 WeakPolarHBondContact CB-OD1 3.48Å; L79-D81 PolarHBondContact O-N 3.36Å; L79-D82 WeakPolarHBondContact O-CB 3.38Å; L79-D82 PolarHBondContact O-N 3Å; L79-N85 WeakPolarHBondContact O-CB 3.43Å; L79-N85 PolarHBondContact O-ND2 3.12Å
80	W	91.8	Very high	96.1	Very high	122 Å²	122	44.8 Å²	44.8	46%	0.462	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.8	-178.4	64.7	-93.6	0	0	0	112.9	V86 W142 H178	W80-V86 WeakPolarHBondContact O-CA 3.21Å; W80-V86 PolarHBondContact O-N 3.04Å; W80-W142 HydrophobicContact CB-CH2 4.4Å; W80-W142 HydrophobicContact CB-CZ3 4.44Å; W80-H178 HydrophobicContact CB-CB 4.29Å
81	D	91.6	Very high	96.1	Very high	71 Å²	71	44.4 Å²	44.4	38%	0.38	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-4.9	-178.9	69.1	-13.3	0	0	0	113.5	L79	L79-D81 WeakPolarHBondContact CB-OD1 3.48Å; L79-D81 PolarHBondContact O-N 3.36Å
82	D	95.6	Very high	96	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.048	23%	0.232	C	C	.	.	S	Bend	trans	-55.7	137.6	172.1	-172.5	-79.2	0	0	0	109.6	R77 L79 A84 N85 V86	R77-D82 HydrophobicContact CB-CB 4.43Å; R77-D82 WeakPolarHBondContact CB-OD2 3.49Å; R77-D82 PolarHBondContact N-OD2 3.41Å; R77-D82 IonicContact NE-OD2 2.68Å; R77-D82 PolarHBondContact NE-OD2 3.34Å; L79-D82 WeakPolarHBondContact O-CB 3.38Å; L79-D82 PolarHBondContact O-N 3Å; D82-A84 PolarHBondContact O-N 3.49Å; D82-A84 WeakPolarHBondContact OD1-CB 3.35Å; D82-A84 PolarHBondContact OD1-N 2.93Å; D82-N85 HydrophobicContact CB-CB 4.32Å; D82-N85 PolarHBondContact O-N 3.13Å; D82-V86 PolarHBondContact O-N 3.4Å
83	P	95.9	Very high	95.9	Very high	105 Å²	105	44.5 Å²	44.5	68%	0.682	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.4	-178.1	-29.8	36.1	0	0	0	114.3
84	A	96.8	Very high	95.8	Very high	29 Å²	29	46.9 Å²	46.9	24%	0.24	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.6	176.7	0	0	0	0	0	113.6	I76 D82 N144	I76-A84 HydrophobicContact CB-CB 4.42Å; I76-A84 HydrophobicContact CD1-CB 3.72Å; I76-A84 HydrophobicContact CG1-CB 3.76Å; I76-A84 HydrophobicContact CG2-CB 3.9Å; D82-A84 PolarHBondContact O-N 3.49Å; D82-A84 WeakPolarHBondContact OD1-CB 3.35Å; D82-A84 PolarHBondContact OD1-N 2.93Å; A84-N144 WeakPolarHBondContact O-CB 3.09Å
85	N	96.4	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-28.1	-175.6	-62.4	-31.5	0	0	0	113.2	R77 L79 D82 N87 G88 C126 W142 H178	R77-N85 PolarHBondContact O-ND2 3.03Å; L79-N85 WeakPolarHBondContact O-CB 3.43Å; L79-N85 PolarHBondContact O-ND2 3.12Å; D82-N85 HydrophobicContact CB-CB 4.32Å; D82-N85 PolarHBondContact O-N 3.13Å; N85-N87 VanDerWaalsContact C-N 3.27Å; N85-N87 PolarHBondContact O-N 3.35Å; N85-N87 VanDerWaalsContact O-N 3.14Å; N85-G88 VanDerWaalsContact O-CA 3.26Å; N85-G88 WeakPolarHBondContact O-CA 3.48Å; N85-G88 PolarHBondContact O-N 2.73Å; N85-C126 VanDerWaalsContact OD1-CB 3.22Å; N85-C126 WeakPolarHBondContact OD1-CB 3.4Å; N85-C126 PolarHBondContact OD1-SG 3.34Å; N85-W142 HydrophobicContact CB-CE3 4.3Å; N85-W142 HydrophobicContact CB-CZ3 4.3Å; N85-H178 PolarHBondContact O-CD2 2.98Å; N85-H178 VanDerWaalsContact O-CD2 3.28Å
86	V	94.1	Very high	95.4	Very high	48 Å²	48	38 Å²	38	29%	0.291	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.6	-170.3	69.6	0	0	0	0	114.3	W80 D82 G88	W80-V86 WeakPolarHBondContact O-CA 3.21Å; W80-V86 PolarHBondContact O-N 3.04Å; D82-V86 PolarHBondContact O-N 3.4Å; V86-G88 VanDerWaalsContact C-N 3.28Å
87	N	92.3	Very high	95.1	Very high	93 Å²	93	42 Å²	42	50%	0.497	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	5.2	177.5	-71.1	-50	0	0	0	113.6	N85 A146 R181	N85-N87 VanDerWaalsContact C-N 3.27Å; N85-N87 PolarHBondContact O-N 3.35Å; N85-N87 VanDerWaalsContact O-N 3.14Å; N87-A146 WeakPolarHBondContact O-CB 3.31Å; N87-A146 PolarHBondContact O-N 2.91Å; N87-R181 PolarHBondContact O-NH2 3.05Å
88	G	95.2	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.			trans	-103	-162.9	-169.1	0	0	0	0	0	114.7	N85 V86 T143 A146 H178	N85-G88 VanDerWaalsContact O-CA 3.26Å; N85-G88 WeakPolarHBondContact O-CA 3.48Å; N85-G88 PolarHBondContact O-N 2.73Å; V86-G88 VanDerWaalsContact C-N 3.28Å; G88-T143 CarbonylContact C-O 3.57Å; G88-T143 WeakPolarHBondContact CA-O 3.25Å; G88-A146 WeakPolarHBondContact O-CB 3.26Å; G88-H178 VanDerWaalsContact C-CD2 3.44Å; G88-H178 PolarHBondContact O-N 2.8Å
89	G	95.4	Very high	94.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	-180	176.3	0	0	0	0	0	110.2	T143 Y175 E176 H178	G89-T143 PolarHBondContact N-O 3.13Å; G89-T143 PolarHBondContact O-N 3.15Å; G89-T143 PolarHBondContact O-OG1 2.92Å; G89-T143 VanDerWaalsContact O-OG1 3.1Å; G89-Y175 VanDerWaalsContact CA-OH 3.25Å; G89-Y175 WeakPolarHBondContact CA-OH 3.45Å; G89-Y175 PolarHBondContact N-OH 3.43Å; G89-E176 CarbonylContact C-O 3.46Å; G89-E176 WeakPolarHBondContact CA-O 3.47Å; G89-H178 VanDerWaalsContact CA-CD2 3.48Å; G89-H178 WeakPolarHBondContact CA-CD2 3.38Å; G89-H178 PolarHBondContact N-CD2 3.5Å
90	R	96.9	Very high	94.8	Very high	67 Å²	67	44.7 Å²	44.7	25%	0.253	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.9	-175.3	60	-179.9	-175.4	-164.6	-2.1	111.5	I92 C140 V141 W142 Y175 E176	R90-I92 HydrophobicContact CG-CD1 4.07Å; R90-I92 HydrophobicContact CG-CG1 3.84Å; R90-C140 HydrophobicContact CB-CB 4.36Å; R90-V141 CarbonylContact C-O 3.57Å; R90-V141 VanDerWaalsContact CA-O 3.25Å; R90-V141 WeakPolarHBondContact CA-O 3.3Å; R90-W142 HydrophobicContact CB-CG 4.1Å; R90-Y175 WeakPolarHBondContact O-CA 3.37Å; R90-Y175 WeakPolarHBondContact O-CD2 3.39Å; R90-E176 HydrophobicContact CG-CB 4.49Å; R90-E176 IonicContact CZ-OE2 3.93Å; R90-E176 PolarHBondContact N-O 3.4Å; R90-E176 IonicContact NE-OE2 3.75Å; R90-E176 IonicContact NH2-OE2 3.16Å; R90-E176 PolarHBondContact NH2-OE2 3.14Å; R90-E176 VanDerWaalsContact NH2-OE2 3.16Å; R90-E176 PolarHBondContact O-N 2.94Å
91	W	97.8	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.7	159.2	-75.9	105.4	0	0	0	109.1	C140 V141 T152 M173 V174 Y175 F188 L190	W91-C140 CarbonylContact O-C 3.45Å; W91-C140 WeakPolarHBondContact O-CA 3.41Å; W91-V141 HydrophobicContact CB-CB 4.43Å; W91-V141 PolarHBondContact N-O 3.19Å; W91-V141 PolarHBondContact O-N 2.93Å; W91-T152 HydrophobicContact CZ2-CG2 4Å; W91-T152 PolarHBondContact NE1-O 2.87Å; W91-M173 HydrophobicContact CB-CE 3.55Å; W91-M173 HydrophobicContact CE3-CB 3.76Å; W91-M173 HydrophobicContact CG-CE 4.36Å; W91-M173 HydrophobicContact CZ3-CB 4.27Å; W91-V174 CarbonylContact C-O 3.44Å; W91-V174 WeakPolarHBondContact CA-O 3.42Å; W91-Y175 HydrophobicContact CB-CD2 4.46Å; W91-Y175 AromaticContact CD1-CD2 3.64Å; W91-Y175 AromaticContact CD1-CE2 3.98Å; W91-Y175 AromaticContact CD2-CD2 3.63Å; W91-Y175 HydrophobicContact CD2-CD2 3.63Å; W91-Y175 HydrophobicContact CD2-CG 4.25Å; W91-Y175 AromaticContact CE2-CD2 3.54Å; W91-Y175 HydrophobicContact CE3-CD2 4.3Å; W91-Y175 AromaticContact CG-CD2 3.69Å; W91-Y175 HydrophobicContact CG-CD2 3.69Å; W91-Y175 HydrophobicContact CG-CE2 4.39Å; W91-Y175 HydrophobicContact CZ2-CD2 4.15Å; W91-Y175 HydrophobicContact CZ2-CG 4.3Å; W91-Y175 AromaticContact NE1-CD2 3.55Å; W91-Y175 AromaticContact NE1-CE2 3.98Å; W91-F188 HydrophobicContact CH2-CB 3.66Å; W91-F188 HydrophobicContact CZ3-CB 4.22Å; W91-L190 HydrophobicContact CE3-CD1 4.48Å; W91-L190 HydrophobicContact CH2-CB 4.45Å; W91-L190 HydrophobicContact CH2-CD1 3.34Å; W91-L190 HydrophobicContact CH2-CG 3.52Å; W91-L190 HydrophobicContact CZ2-CD1 3.67Å; W91-L190 HydrophobicContact CZ2-CG 4.34Å; W91-L190 HydrophobicContact CZ3-CB 4.25Å; W91-L190 HydrophobicContact CZ3-CD1 3.8Å; W91-L190 HydrophobicContact CZ3-CG 3.8Å
92	I	97.5	Very high	95.2	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121	-173.1	-53.7	173.2	0	0	0	108.6	R90 K138 M173 V174 E176	R90-I92 HydrophobicContact CG-CD1 4.07Å; R90-I92 HydrophobicContact CG-CG1 3.84Å; I92-K138 HydrophobicContact CG2-CB 4.23Å; I92-K138 HydrophobicContact CG2-CD 3.73Å; I92-K138 HydrophobicContact CG2-CG 4.03Å; I92-M173 CarbonylContact O-C 3.46Å; I92-M173 VanDerWaalsContact O-CA 3.31Å; I92-M173 WeakPolarHBondContact O-CA 3.11Å; I92-V174 PolarHBondContact N-O 3.28Å; I92-V174 PolarHBondContact O-N 2.8Å; I92-E176 HydrophobicContact CD1-CB 4.02Å; I92-E176 HydrophobicContact CD1-CG 3.66Å; I92-E176 WeakPolarHBondContact CD1-OE2 3.33Å
93	L	97.1	Very high	95.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124	171.1	-178.5	65.1	0	0	0	109.1	M95 V105 K138 I139 V163 L167 D171 M173	L93-M95 HydrophobicContact CD2-SD 3.65Å; L93-M95 HydrophobicContact CG-SD 3.72Å; L93-V105 HydrophobicContact CD2-CG1 3.87Å; L93-K138 VanDerWaalsContact O-CA 3.3Å; L93-K138 WeakPolarHBondContact O-CA 3.32Å; L93-I139 PolarHBondContact N-O 3.04Å; L93-I139 PolarHBondContact O-N 3.45Å; L93-V163 HydrophobicContact CD2-CG2 4.35Å; L93-L167 HydrophobicContact CD1-CD1 4.08Å; L93-L167 HydrophobicContact CD1-CD2 4.27Å; L93-L167 HydrophobicContact CD2-CD1 4.15Å; L93-L167 HydrophobicContact CD2-CD2 3.66Å; L93-L167 HydrophobicContact CG-CD2 4.45Å; L93-D171 HydrophobicContact CD1-CB 4.35Å; L93-M173 HydrophobicContact CB-CE 4.42Å; L93-M173 HydrophobicContact CB-CG 4.2Å; L93-M173 HydrophobicContact CD1-CG 4.09Å
94	S	96.2	Very high	95.4	Very high	67 Å²	67	33.3 Å²	33.3	47%	0.469	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.8	177.7	-64	0	0	0	0	110.6
95	M	95.2	Very high	95.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-16.6	-176.1	-59.7	-47.3	-62.2	0	0	113.5	L93 R101 M102 V105 S137 I139	L93-M95 HydrophobicContact CD2-SD 3.65Å; L93-M95 HydrophobicContact CG-SD 3.72Å; M95-R101 HydrophobicContact CE-CB 4.34Å; M95-R101 HydrophobicContact CE-CG 3.67Å; M95-R101 PolarHBondContact O-NH2 3.02Å; M95-M102 HydrophobicContact CB-CB 4.37Å; M95-M102 HydrophobicContact CB-CG 4.38Å; M95-M102 HydrophobicContact CG-CB 4.48Å; M95-M102 HydrophobicContact CG-CG 4.21Å; M95-V105 HydrophobicContact CE-CB 3.96Å; M95-V105 HydrophobicContact CE-CG1 4.39Å; M95-V105 HydrophobicContact CE-CG2 3.58Å; M95-V105 HydrophobicContact SD-CG1 4.37Å; M95-V105 HydrophobicContact SD-CG2 4.46Å; M95-S137 PolarHBondContact N-O 3.44Å; M95-I139 HydrophobicContact CG-CB 4.41Å; M95-I139 HydrophobicContact CG-CD1 4.1Å; M95-I139 HydrophobicContact CG-CG1 3.97Å; M95-I139 HydrophobicContact SD-CD1 4.31Å
96	G	91.5	Very high	95.5	Very high	24 Å²	24	32 Å²	32	25%	0.247	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.5	-135.4	-175.4	0	0	0	0	0	111.1	S137	G96-S137 VanDerWaalsContact O-CB 3.31Å; G96-S137 WeakPolarHBondContact O-CB 2.99Å; G96-S137 PolarHBondContact O-N 2.95Å; G96-S137 PolarHBondContact O-OG 3.37Å
97	D	90.8	Very high	95.7	Very high	108 Å²	108	32.4 Å²	32.4	58%	0.578	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-0.1	179.5	54.6	3.5	0	0	0	113.8	M99	D97-M99 PolarHBondContact O-N 3.05Å
98	N	92.5	Very high	95.9	Very high	84 Å²	84	31.5 Å²	31.5	45%	0.449	18%	0.18	S	C	.	.			trans	-78.4	92.4	177.9	-173.4	-24.2	0	0	0	111.1	G100 R101 M102	N98-G100 PolarHBondContact OD1-N 3.31Å; N98-R101 HydrophobicContact CB-CB 4.03Å; N98-R101 VanDerWaalsContact CG-CB 3.48Å; N98-R101 PolarHBondContact O-N 3.48Å; N98-R101 WeakPolarHBondContact OD1-CB 3.32Å; N98-R101 PolarHBondContact OD1-N 3.21Å; N98-M102 PolarHBondContact O-N 3.45Å
99	M	94.1	Very high	96.1	Very high	58 Å²	58	31.7 Å²	31.7	29%	0.286	18%	0.182	S	C	.	.	H	α-helix	trans	-69	-33.6	-178	-63	-59.6	93.2	0	0	113.4	D97 R101 M102 D103 V132	D97-M99 PolarHBondContact O-N 3.05Å; M99-R101 VanDerWaalsContact C-N 3.32Å; M99-R101 PolarHBondContact O-N 3.49Å; M99-M102 HydrophobicContact CE-CB 4.4Å; M99-M102 HydrophobicContact CE-SD 3.86Å; M99-M102 WeakPolarHBondContact O-CB 3.24Å; M99-M102 PolarHBondContact O-N 2.91Å; M99-M102 VanDerWaalsContact O-N 3.12Å; M99-M102 HydrophobicContact SD-SD 4.03Å; M99-D103 PolarHBondContact O-N 3.4Å; M99-V132 HydrophobicContact SD-CG1 4.43Å
100	G	95.4	Very high	96.2	Very high	46 Å²	46	32 Å²	32	47%	0.474	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-39.7	175	0	0	0	0	0	112.2	N98 A104	N98-G100 PolarHBondContact OD1-N 3.31Å; G100-A104 PolarHBondContact O-N 3.05Å; G100-A104 VanDerWaalsContact O-N 3.13Å
101	R	96	Very high	96.2	Very high	34 Å²	34	32 Å²	32	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-39.1	171.8	-173.1	177.3	65.6	150.9	4.4	111.8	M95 N98 M99 A104 V105 F166 D171	M95-R101 HydrophobicContact CE-CB 4.34Å; M95-R101 HydrophobicContact CE-CG 3.67Å; M95-R101 PolarHBondContact O-NH2 3.02Å; N98-R101 HydrophobicContact CB-CB 4.03Å; N98-R101 VanDerWaalsContact CG-CB 3.48Å; N98-R101 PolarHBondContact O-N 3.48Å; N98-R101 WeakPolarHBondContact OD1-CB 3.32Å; N98-R101 PolarHBondContact OD1-N 3.21Å; M99-R101 VanDerWaalsContact C-N 3.32Å; M99-R101 PolarHBondContact O-N 3.49Å; R101-A104 PolarHBondContact O-N 2.74Å; R101-V105 WeakPolarHBondContact O-CG2 3.37Å; R101-V105 PolarHBondContact O-N 2.76Å; R101-F166 WeakPolarHBondContact CD-O 3.04Å; R101-F166 HydrophobicContact CG-CB 4.35Å; R101-F166 WeakPolarHBondContact CG-O 3.48Å; R101-D171 IonicContact CZ-OD2 3.8Å; R101-D171 IonicContact NH1-OD1 2.93Å; R101-D171 IonicContact NH1-OD2 2.89Å; R101-D171 PolarHBondContact NH1-OD2 3.37Å
102	M	97.3	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-46.9	176.6	-170.5	171.7	-174.2	0	0	111.8	V65 M95 N98 M99 A104 V105 W106 A130 N131 V132 I139	V65-M102 HydrophobicContact CB-CG 4.45Å; V65-M102 HydrophobicContact CG1-CE 3.61Å; V65-M102 HydrophobicContact CG1-CG 4.27Å; V65-M102 HydrophobicContact CG1-SD 3.95Å; M95-M102 HydrophobicContact CB-CB 4.37Å; M95-M102 HydrophobicContact CB-CG 4.38Å; M95-M102 HydrophobicContact CG-CB 4.48Å; M95-M102 HydrophobicContact CG-CG 4.21Å; N98-M102 PolarHBondContact O-N 3.45Å; M99-M102 HydrophobicContact CE-CB 4.4Å; M99-M102 HydrophobicContact CE-SD 3.86Å; M99-M102 WeakPolarHBondContact O-CB 3.24Å; M99-M102 PolarHBondContact O-N 2.91Å; M99-M102 VanDerWaalsContact O-N 3.12Å; M99-M102 HydrophobicContact SD-SD 4.03Å; M102-A104 PolarHBondContact O-N 3Å; M102-V105 PolarHBondContact O-N 2.8Å; M102-W106 VanDerWaalsContact O-CB 3.27Å; M102-W106 WeakPolarHBondContact O-CB 3.3Å; M102-W106 PolarHBondContact O-N 2.83Å; M102-A130 HydrophobicContact CE-CB 3.74Å; M102-N131 WeakPolarHBondContact CE-O 3.26Å; M102-V132 HydrophobicContact CE-CG2 3.83Å; M102-V132 HydrophobicContact SD-CG2 4.14Å; M102-I139 HydrophobicContact CE-CG1 4.26Å; M102-I139 HydrophobicContact CG-CD1 3.97Å; M102-I139 HydrophobicContact CG-CG1 4.31Å; M102-I139 WeakPolarHBondContact O-CD1 3.4Å
103	D	97.6	Very high	96.2	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-49	174.9	-77.6	-20.8	0	0	0	110.9	R64 V65 M99 V105 W106 M107	R64-D103 IonicContact CZ-OD2 3.54Å; R64-D103 IonicContact NE-OD2 3.4Å; R64-D103 PolarHBondContact NE-OD2 3.41Å; R64-D103 IonicContact NH2-OD2 2.95Å; R64-D103 PolarHBondContact NH2-OD2 2.96Å; V65-D103 WeakPolarHBondContact CB-OD1 3.41Å; V65-D103 PolarHBondContact N-OD1 2.94Å; M99-D103 PolarHBondContact O-N 3.4Å; D103-V105 PolarHBondContact O-N 2.91Å; D103-W106 PolarHBondContact O-N 2.85Å; D103-M107 WeakPolarHBondContact O-CB 3.44Å; D103-M107 VanDerWaalsContact O-CG 3.27Å; D103-M107 WeakPolarHBondContact O-CG 3.35Å; D103-M107 PolarHBondContact O-N 3.06Å
104	A	97.4	Very high	96.2	Very high	21 Å²	21	32.2 Å²	32.2	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-48.1	-179.7	0	0	0	0	0	112.7	G100 R101 M102 M107 H108 F166	G100-A104 PolarHBondContact O-N 3.05Å; G100-A104 VanDerWaalsContact O-N 3.13Å; R101-A104 PolarHBondContact O-N 2.74Å; M102-A104 PolarHBondContact O-N 3Å; A104-M107 PolarHBondContact O-N 3.23Å; A104-H108 WeakPolarHBondContact O-CB 3.06Å; A104-H108 PolarHBondContact O-N 3.09Å; A104-H108 PolarHBondContact O-ND1 2.95Å; A104-F166 HydrophobicContact CB-CD1 3.66Å; A104-F166 HydrophobicContact CB-CD2 4.37Å; A104-F166 HydrophobicContact CB-CE1 3.83Å; A104-F166 HydrophobicContact CB-CG 3.97Å; A104-F166 HydrophobicContact CB-CZ 4.29Å
105	V	98.1	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-42.1	179	171.2	0	0	0	0	111.3	L93 M95 R101 M102 D103 L109 I139 V163 F166 L167	L93-V105 HydrophobicContact CD2-CG1 3.87Å; M95-V105 HydrophobicContact CE-CB 3.96Å; M95-V105 HydrophobicContact CE-CG1 4.39Å; M95-V105 HydrophobicContact CE-CG2 3.58Å; M95-V105 HydrophobicContact SD-CG1 4.37Å; M95-V105 HydrophobicContact SD-CG2 4.46Å; R101-V105 WeakPolarHBondContact O-CG2 3.37Å; R101-V105 PolarHBondContact O-N 2.76Å; M102-V105 PolarHBondContact O-N 2.8Å; D103-V105 PolarHBondContact O-N 2.91Å; V105-L109 HydrophobicContact CG1-CD1 4.02Å; V105-L109 WeakPolarHBondContact O-CB 3.48Å; V105-L109 WeakPolarHBondContact O-CG 3.33Å; V105-L109 PolarHBondContact O-N 3.46Å; V105-I139 HydrophobicContact CB-CD1 3.71Å; V105-I139 HydrophobicContact CG1-CB 4.43Å; V105-I139 HydrophobicContact CG1-CD1 3.47Å; V105-I139 VanDerWaalsContact CG1-CD1 3.47Å; V105-I139 HydrophobicContact CG1-CG2 4.38Å; V105-V163 HydrophobicContact CG1-CB 4.22Å; V105-V163 HydrophobicContact CG1-CG1 4.07Å; V105-V163 HydrophobicContact CG1-CG2 4.22Å; V105-V163 HydrophobicContact CG2-CB 4.22Å; V105-F166 HydrophobicContact CG2-CB 3.76Å; V105-F166 HydrophobicContact CG2-CD2 4.32Å; V105-F166 HydrophobicContact CG2-CG 4.34Å; V105-L167 HydrophobicContact CG2-CD2 4.1Å
106	W	98.2	Very high	96.2	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.011	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-54.7	176.8	170.2	-107.5	0	0	0	111	L30 V65 L69 F71 M102 D103 H108 L109 L110 V128 A130 I139	L30-W106 HydrophobicContact CD1-CZ2 4.29Å; V65-W106 HydrophobicContact CG2-CB 3.65Å; V65-W106 VanDerWaalsContact CG2-CD1 3.49Å; V65-W106 HydrophobicContact CG2-CD2 4.06Å; V65-W106 HydrophobicContact CG2-CG 3.46Å; V65-W106 VanDerWaalsContact CG2-CG 3.46Å; L69-W106 HydrophobicContact CB-CH2 3.91Å; L69-W106 HydrophobicContact CB-CZ2 3.85Å; L69-W106 HydrophobicContact CD1-CZ2 4.17Å; F71-W106 HydrophobicContact CB-CH2 3.78Å; F71-W106 HydrophobicContact CB-CZ2 4.22Å; M102-W106 VanDerWaalsContact O-CB 3.27Å; M102-W106 WeakPolarHBondContact O-CB 3.3Å; M102-W106 PolarHBondContact O-N 2.83Å; D103-W106 PolarHBondContact O-N 2.85Å; W106-H108 PolarHBondContact O-N 3.23Å; W106-L109 PolarHBondContact O-N 2.98Å; W106-L110 HydrophobicContact CD2-CD1 4.27Å; W106-L110 HydrophobicContact CD2-CG 4.22Å; W106-L110 HydrophobicContact CE3-CD2 4.47Å; W106-L110 HydrophobicContact CH2-CD1 4.33Å; W106-L110 HydrophobicContact CH2-CD2 4.22Å; W106-L110 HydrophobicContact CZ2-CD1 3.62Å; W106-L110 HydrophobicContact CZ2-CD2 4.31Å; W106-L110 HydrophobicContact CZ2-CG 4.25Å; W106-L110 HydrophobicContact CZ3-CD2 4.3Å; W106-L110 WeakPolarHBondContact O-CG 3.4Å; W106-L110 PolarHBondContact O-N 2.8Å; W106-V128 HydrophobicContact CE3-CG1 3.95Å; W106-V128 HydrophobicContact CZ3-CB 4.14Å; W106-V128 HydrophobicContact CZ3-CG1 3.73Å; W106-A130 HydrophobicContact CD2-CB 4.29Å; W106-A130 HydrophobicContact CE3-CB 3.74Å; W106-A130 HydrophobicContact CZ3-CB 3.89Å; W106-I139 HydrophobicContact CB-CD1 4.01Å
107	M	97.4	Very high	96.4	Very high	55 Å²	55	38.7 Å²	38.7	27%	0.271	21%	0.213	S	C	.	.	H	α-helix	trans	-58.2	-47.6	-179	-69.8	175.8	-178.1	0	0	111.7	Y58 R64 D103 A104 L109 L110 I111	Y58-M107 PolarHBondContact OH-O 3.19Å; R64-M107 HydrophobicContact CG-CE 4.46Å; D103-M107 WeakPolarHBondContact O-CB 3.44Å; D103-M107 VanDerWaalsContact O-CG 3.27Å; D103-M107 WeakPolarHBondContact O-CG 3.35Å; D103-M107 PolarHBondContact O-N 3.06Å; A104-M107 PolarHBondContact O-N 3.23Å; M107-L109 PolarHBondContact O-N 2.76Å; M107-L110 PolarHBondContact O-N 3.33Å; M107-I111 WeakPolarHBondContact O-CG1 3.49Å; M107-I111 PolarHBondContact O-N 2.89Å
108	H	97.5	Very high	96.7	Very high	74 Å²	74	34.2 Å²	34.2	34%	0.343	19%	0.188	S	C	.	.	H	α-helix	trans	-65.3	-39	-178.5	-75.6	75.6	0	0	0	112.9	A104 W106 I111 C112 V163 F166	A104-H108 WeakPolarHBondContact O-CB 3.06Å; A104-H108 PolarHBondContact O-N 3.09Å; A104-H108 PolarHBondContact O-ND1 2.95Å; W106-H108 PolarHBondContact O-N 3.23Å; H108-I111 PolarHBondContact O-N 3.45Å; H108-C112 PolarHBondContact O-N 2.87Å; H108-C112 PolarHBondContact O-SG 2.76Å; H108-V163 HydrophobicContact CB-CG1 4.07Å; H108-F166 HydrophobicContact CB-CE2 4.18Å; H108-F166 AromaticContact CD2-CE2 3.69Å; H108-F166 AromaticContact CD2-CZ 3.94Å; H108-F166 AromaticContact CE1-CE2 3.55Å; H108-F166 AromaticContact CE1-CZ 3.19Å; H108-F166 WeakPolarHBondContact CE1-CZ 3.17Å; H108-F166 AromaticContact CG-CE2 3.48Å; H108-F166 VanDerWaalsContact CG-CE2 3.48Å; H108-F166 AromaticContact CG-CZ 3.97Å; H108-F166 AromaticContact ND1-CE2 3.37Å; H108-F166 WeakPolarHBondContact ND1-CE2 3.25Å; H108-F166 AromaticContact ND1-CZ 3.51Å; H108-F166 AromaticContact NE2-CE2 3.73Å; H108-F166 AromaticContact NE2-CZ 3.47Å; H108-F166 WeakPolarHBondContact NE2-CZ 3.48Å
109	L	98	Very high	96.9	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-40.5	174.2	-79.6	170.5	0	0	0	111.9	V105 W106 M107 C112 L113 V128 I139 V141 V163	V105-L109 HydrophobicContact CG1-CD1 4.02Å; V105-L109 WeakPolarHBondContact O-CB 3.48Å; V105-L109 WeakPolarHBondContact O-CG 3.33Å; V105-L109 PolarHBondContact O-N 3.46Å; W106-L109 PolarHBondContact O-N 2.98Å; M107-L109 PolarHBondContact O-N 2.76Å; L109-C112 WeakPolarHBondContact O-CB 3.41Å; L109-C112 PolarHBondContact O-N 3.46Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 PolarHBondContact O-N 2.71Å; L109-V128 HydrophobicContact CB-CG1 4.48Å; L109-V128 HydrophobicContact CD1-CG1 4.37Å; L109-I139 HydrophobicContact CD1-CG2 3.57Å; L109-V141 HydrophobicContact CD1-CG2 4.25Å; L109-V141 HydrophobicContact CD2-CG2 4.36Å; L109-V163 HydrophobicContact CD1-CG1 4.43Å; L109-V163 HydrophobicContact CD2-CG1 4.13Å; L109-V163 HydrophobicContact CG-CG1 3.74Å
110	L	98.1	Very high	96.9	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-40.9	176.5	-65.2	-159	0	0	0	112	Y58 F71 W106 M107 C112 L113 V114 V128	Y58-L110 HydrophobicContact CE2-CB 3.77Å; Y58-L110 HydrophobicContact CE2-CD1 4.15Å; F71-L110 HydrophobicContact CB-CD1 4.34Å; F71-L110 HydrophobicContact CB-CD2 3.78Å; F71-L110 HydrophobicContact CD1-CD1 4.36Å; F71-L110 HydrophobicContact CD1-CD2 3.57Å; F71-L110 HydrophobicContact CD1-CG 4.49Å; F71-L110 HydrophobicContact CD2-CD1 4.38Å; F71-L110 HydrophobicContact CE1-CD2 4.34Å; F71-L110 HydrophobicContact CG-CD1 4.12Å; F71-L110 HydrophobicContact CG-CD2 3.84Å; W106-L110 HydrophobicContact CD2-CD1 4.27Å; W106-L110 HydrophobicContact CD2-CG 4.22Å; W106-L110 HydrophobicContact CE3-CD2 4.47Å; W106-L110 HydrophobicContact CH2-CD1 4.33Å; W106-L110 HydrophobicContact CH2-CD2 4.22Å; W106-L110 HydrophobicContact CZ2-CD1 3.62Å; W106-L110 HydrophobicContact CZ2-CD2 4.31Å; W106-L110 HydrophobicContact CZ2-CG 4.25Å; W106-L110 HydrophobicContact CZ3-CD2 4.3Å; W106-L110 WeakPolarHBondContact O-CG 3.4Å; W106-L110 PolarHBondContact O-N 2.8Å; M107-L110 PolarHBondContact O-N 3.33Å; L110-C112 VanDerWaalsContact C-N 3.33Å; L110-C112 PolarHBondContact O-N 3.41Å; L110-L113 WeakPolarHBondContact O-CA 3.45Å; L110-L113 WeakPolarHBondContact O-CB 3.5Å; L110-L113 PolarHBondContact O-N 2.95Å; L110-V114 WeakPolarHBondContact O-CG2 3.27Å; L110-V114 PolarHBondContact O-N 2.84Å; L110-V128 HydrophobicContact CD2-CB 4.01Å; L110-V128 HydrophobicContact CD2-CG1 4.45Å; L110-V128 HydrophobicContact CD2-CG2 4.29Å
111	I	97.1	Very high	97	Very high	66 Å²	66	41.5 Å²	41.5	34%	0.338	21%	0.208	S	C	.	.	H	α-helix	trans	-56.7	-47.9	173.3	-68.1	169.3	0	0	0	110.4	Y58 M107 H108 L113 G115 W117	Y58-I111 HydrophobicContact CE1-CG1 4.15Å; Y58-I111 VanDerWaalsContact OH-CG1 3.28Å; Y58-I111 WeakPolarHBondContact OH-CG1 3.19Å; Y58-I111 PolarHBondContact OH-N 3.23Å; M107-I111 WeakPolarHBondContact O-CG1 3.49Å; M107-I111 PolarHBondContact O-N 2.89Å; H108-I111 PolarHBondContact O-N 3.45Å; I111-L113 PolarHBondContact O-N 3.32Å; I111-G115 WeakPolarHBondContact O-CA 3.47Å; I111-G115 PolarHBondContact O-N 2.9Å; I111-W117 HydrophobicContact CG2-CH2 4.2Å; I111-W117 HydrophobicContact CG2-CZ2 4.14Å
112	C	97.1	Very high	97.1	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-36.8	176.9	-65.2	0	0	0	0	111.9	H108 L109 L110 S116 W117 F118 A162	H108-C112 PolarHBondContact O-N 2.87Å; H108-C112 PolarHBondContact O-SG 2.76Å; L109-C112 WeakPolarHBondContact O-CB 3.41Å; L109-C112 PolarHBondContact O-N 3.46Å; L110-C112 VanDerWaalsContact C-N 3.33Å; L110-C112 PolarHBondContact O-N 3.41Å; C112-S116 PolarHBondContact O-N 2.96Å; C112-W117 HydrophobicContact CB-CB 4.15Å; C112-W117 HydrophobicContact CB-CD2 4.33Å; C112-W117 HydrophobicContact CB-CE3 4.05Å; C112-W117 HydrophobicContact CB-CG 4.43Å; C112-W117 PolarHBondContact O-N 3.32Å; C112-W117 VanDerWaalsContact SG-CZ3 3.56Å; C112-F118 HydrophobicContact CB-CE2 3.93Å; C112-F118 HydrophobicContact CB-CZ 4.48Å; C112-A162 WeakPolarHBondContact SG-CB 3.41Å
113	L	97.1	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-71.9	-54.7	-177.7	-162.5	69.8	0	0	0	111.3	W28 F71 L109 L110 I111 G115 S116 F118 Q122 I125 V128	W28-L113 HydrophobicContact CD2-CD2 4.26Å; W28-L113 HydrophobicContact CE3-CD2 3.63Å; W28-L113 HydrophobicContact CE3-CG 4.27Å; W28-L113 HydrophobicContact CH2-CD1 3.51Å; W28-L113 HydrophobicContact CH2-CD2 3.47Å; W28-L113 VanDerWaalsContact CH2-CD2 3.47Å; W28-L113 HydrophobicContact CH2-CG 3.26Å; W28-L113 HydrophobicContact CZ2-CD1 4.16Å; W28-L113 HydrophobicContact CZ2-CD2 4.06Å; W28-L113 HydrophobicContact CZ2-CG 3.6Å; W28-L113 HydrophobicContact CZ3-CD1 4.03Å; W28-L113 HydrophobicContact CZ3-CD2 3.2Å; W28-L113 HydrophobicContact CZ3-CG 3.63Å; F71-L113 HydrophobicContact CD1-CD2 3.7Å; F71-L113 HydrophobicContact CE1-CD2 3.99Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 PolarHBondContact O-N 2.71Å; L110-L113 WeakPolarHBondContact O-CA 3.45Å; L110-L113 WeakPolarHBondContact O-CB 3.5Å; L110-L113 PolarHBondContact O-N 2.95Å; I111-L113 PolarHBondContact O-N 3.32Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 3.31Å; L113-S116 PolarHBondContact O-N 3.33Å; L113-S116 VanDerWaalsContact O-N 3.15Å; L113-F118 HydrophobicContact CD1-CD2 4.47Å; L113-F118 HydrophobicContact CD1-CE2 4.29Å; L113-Q122 PolarHBondContact O-NE2 3.06Å; L113-I125 HydrophobicContact CD1-CB 4.27Å; L113-I125 HydrophobicContact CD1-CD1 4.24Å; L113-I125 HydrophobicContact CD1-CG2 3.59Å; L113-V128 HydrophobicContact CD2-CG2 3.95Å
114	V	97.2	Very high	97.1	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-35.7	179.2	-57.3	0	0	0	0	111.4	L24 Y58 F71 L110 S116	L24-V114 HydrophobicContact CD1-CB 4Å; L24-V114 HydrophobicContact CD1-CG1 4.08Å; L24-V114 HydrophobicContact CD2-CB 4.04Å; Y58-V114 HydrophobicContact CD1-CG2 3.99Å; Y58-V114 HydrophobicContact CD2-CG1 3.91Å; Y58-V114 HydrophobicContact CD2-CG2 4.37Å; Y58-V114 HydrophobicContact CE1-CG2 4.11Å; Y58-V114 HydrophobicContact CE2-CG1 4.34Å; Y58-V114 HydrophobicContact CG-CG1 4.2Å; Y58-V114 HydrophobicContact CG-CG2 4.1Å; F71-V114 HydrophobicContact CE1-CG1 3.83Å; F71-V114 HydrophobicContact CZ-CG1 3.86Å; L110-V114 WeakPolarHBondContact O-CG2 3.27Å; L110-V114 PolarHBondContact O-N 2.84Å; V114-S116 PolarHBondContact O-N 3.26Å
115	G	97	Very high	97.2	Very high	42 Å²	42	41.8 Å²	41.8	43%	0.433	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-3	175	0	0	0	0	0	115	I111 L113 W117	I111-G115 WeakPolarHBondContact O-CA 3.47Å; I111-G115 PolarHBondContact O-N 2.9Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 3.31Å; G115-W117 VanDerWaalsContact C-N 3.33Å; G115-W117 VanDerWaalsContact O-CD1 3.25Å; G115-W117 PolarHBondContact O-N 2.98Å
116	S	95.8	Very high	97.2	Very high	26 Å²	26	41.8 Å²	41.8	18%	0.182	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	35.4	-179.9	-60.7	0	0	0	0	115.2	K25 C112 L113 V114 F118 R119	K25-S116 WeakPolarHBondContact CB-OG 3.43Å; C112-S116 PolarHBondContact O-N 2.96Å; L113-S116 PolarHBondContact O-N 3.33Å; L113-S116 VanDerWaalsContact O-N 3.15Å; V114-S116 PolarHBondContact O-N 3.26Å; S116-F118 PolarHBondContact O-N 3.38Å; S116-R119 PolarHBondContact O-N 2.71Å
117	W	96	Very high	97.2	Very high	159 Å²	159	41.6 Å²	41.6	60%	0.602	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-16.4	-176.4	-68	7.3	0	0	0	113.7	I111 C112 G115 R119	I111-W117 HydrophobicContact CG2-CH2 4.2Å; I111-W117 HydrophobicContact CG2-CZ2 4.14Å; C112-W117 HydrophobicContact CB-CB 4.15Å; C112-W117 HydrophobicContact CB-CD2 4.33Å; C112-W117 HydrophobicContact CB-CE3 4.05Å; C112-W117 HydrophobicContact CB-CG 4.43Å; C112-W117 PolarHBondContact O-N 3.32Å; C112-W117 VanDerWaalsContact SG-CZ3 3.56Å; G115-W117 VanDerWaalsContact C-N 3.33Å; G115-W117 VanDerWaalsContact O-CD1 3.25Å; G115-W117 PolarHBondContact O-N 2.98Å; W117-R119 PolarHBondContact O-N 3.19Å
118	F	96.7	Very high	97.3	Very high	13 Å²	13	39.1 Å²	39.1	6%	0.057	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.9	170.9	-55.9	-93.2	0	0	0	113	C112 L113 S116 T120 L121 Q122 I125 I155 A158 S159	C112-F118 HydrophobicContact CB-CE2 3.93Å; C112-F118 HydrophobicContact CB-CZ 4.48Å; L113-F118 HydrophobicContact CD1-CD2 4.47Å; L113-F118 HydrophobicContact CD1-CE2 4.29Å; S116-F118 PolarHBondContact O-N 3.38Å; F118-T120 PolarHBondContact O-N 2.93Å; F118-T120 VanDerWaalsContact O-N 3.13Å; F118-L121 HydrophobicContact CB-CB 4.38Å; F118-L121 WeakPolarHBondContact O-CB 3.39Å; F118-L121 PolarHBondContact O-N 3.4Å; F118-Q122 HydrophobicContact CB-CB 4.49Å; F118-Q122 VanDerWaalsContact CB-OE1 3.28Å; F118-I125 HydrophobicContact CB-CD1 3.82Å; F118-I125 HydrophobicContact CD1-CD1 3.52Å; F118-I125 HydrophobicContact CD2-CD1 3.4Å; F118-I125 HydrophobicContact CE1-CD1 3.82Å; F118-I125 HydrophobicContact CE2-CD1 3.72Å; F118-I125 HydrophobicContact CG-CD1 3.28Å; F118-I125 HydrophobicContact CZ-CD1 3.92Å; F118-I155 HydrophobicContact CE1-CG2 4.43Å; F118-A158 HydrophobicContact CD1-CB 3.68Å; F118-A158 HydrophobicContact CE1-CB 3.76Å; F118-S159 WeakPolarHBondContact CE1-OG 3.39Å
119	R	95.1	Very high	97.4	Very high	194 Å²	194	35.7 Å²	35.7	73%	0.732	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	53.6	-113.4	171.1	-56.5	173.7	73	98.8	0.3	112.6	S116 W117 L121 Q122	S116-R119 PolarHBondContact O-N 2.71Å; W117-R119 PolarHBondContact O-N 3.19Å; R119-L121 VanDerWaalsContact C-N 3.29Å; R119-L121 PolarHBondContact O-N 3.44Å; R119-Q122 WeakPolarHBondContact O-CB 3.46Å; R119-Q122 PolarHBondContact O-N 3.18Å
120	T	95.9	Very high	97.4	Very high	125 Å²	125	35.4 Å²	35.4	77%	0.767	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-72.3	-22.3	-179	52.3	0	0	0	0	112.6	F118 Q122 Q124	F118-T120 PolarHBondContact O-N 2.93Å; F118-T120 VanDerWaalsContact O-N 3.13Å; T120-Q122 VanDerWaalsContact C-N 3.31Å; T120-Q124 PolarHBondContact O-OE1 3.04Å
121	L	97.6	Very high	97.3	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-85.1	-7.5	177.2	-59.9	167.4	0	0	0	112.6	F118 R119 A123 Q124 K151 K154 I155	F118-L121 HydrophobicContact CB-CB 4.38Å; F118-L121 WeakPolarHBondContact O-CB 3.39Å; F118-L121 PolarHBondContact O-N 3.4Å; R119-L121 VanDerWaalsContact C-N 3.29Å; R119-L121 PolarHBondContact O-N 3.44Å; L121-A123 PolarHBondContact O-N 3.12Å; L121-Q124 VanDerWaalsContact CA-OE1 3.3Å; L121-Q124 WeakPolarHBondContact O-CB 3.25Å; L121-Q124 PolarHBondContact O-N 2.91Å; L121-Q124 PolarHBondContact O-OE1 2.84Å; L121-K151 HydrophobicContact CD2-CB 3.9Å; L121-K151 HydrophobicContact CD2-CD 4.34Å; L121-K151 HydrophobicContact CD2-CG 3.88Å; L121-K154 HydrophobicContact CD1-CB 3.41Å; L121-K154 VanDerWaalsContact CD1-CB 3.41Å; L121-K154 HydrophobicContact CD1-CD 4.17Å; L121-K154 HydrophobicContact CD1-CG 4.45Å; L121-I155 HydrophobicContact CB-CD1 4.32Å; L121-I155 HydrophobicContact CB-CG1 3.85Å; L121-I155 HydrophobicContact CD1-CG1 4.08Å; L121-I155 HydrophobicContact CG-CG1 4.37Å
122	Q	97.6	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-57.3	-34.1	-179.3	-165.5	74.1	24.3	0	0	111.6	Y26 K73 L113 F118 R119 T120 Q124 I125	Y26-Q122 HydrophobicContact CD2-CG 3.8Å; Y26-Q122 HydrophobicContact CE2-CB 4.02Å; Y26-Q122 HydrophobicContact CE2-CG 3.29Å; K73-Q122 PolarHBondContact NZ-O 3.32Å; L113-Q122 PolarHBondContact O-NE2 3.06Å; F118-Q122 HydrophobicContact CB-CB 4.49Å; F118-Q122 VanDerWaalsContact CB-OE1 3.28Å; R119-Q122 WeakPolarHBondContact O-CB 3.46Å; R119-Q122 PolarHBondContact O-N 3.18Å; T120-Q122 VanDerWaalsContact C-N 3.31Å; Q122-Q124 PolarHBondContact O-N 2.66Å; Q122-I125 PolarHBondContact O-N 2.96Å
123	A	97.4	Very high	97.1	Very high	42 Å²	42	40.5 Å²	40.5	35%	0.347	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-63.3	-29	178.1	0	0	0	0	0	112.7	K73 L121	K73-A123 PolarHBondContact NZ-O 2.86Å; L121-A123 PolarHBondContact O-N 3.12Å
124	Q	98.1	Very high	96.7	Very high	31 Å²	31	49.5 Å²	49.5	15%	0.145	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-82.6	-17	-177.1	-75	67.8	34	0	0	114	T120 L121 Q122 T143 N144 C145 K151 I155	T120-Q124 PolarHBondContact O-OE1 3.04Å; L121-Q124 VanDerWaalsContact CA-OE1 3.3Å; L121-Q124 WeakPolarHBondContact O-CB 3.25Å; L121-Q124 PolarHBondContact O-N 2.91Å; L121-Q124 PolarHBondContact O-OE1 2.84Å; Q122-Q124 PolarHBondContact O-N 2.66Å; Q124-T143 CarbonylContact O-C 3.49Å; Q124-T143 WeakPolarHBondContact O-CA 3.07Å; Q124-N144 WeakPolarHBondContact CA-OD1 3.05Å; Q124-N144 PolarHBondContact O-N 3.45Å; Q124-N144 PolarHBondContact O-OD1 2.86Å; Q124-C145 HydrophobicContact CB-CB 4.2Å; Q124-C145 HydrophobicContact CG-CB 3.74Å; Q124-K151 HydrophobicContact CG-CD 4.14Å; Q124-I155 HydrophobicContact CB-CD1 3.81Å
125	I	98.5	Very high	96.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.5	179.3	-60.4	173.5	0	0	0	109.5	K73 L113 F118 Q122 V141 W142 T143 I155	K73-I125 WeakPolarHBondContact CE-O 3.43Å; K73-I125 PolarHBondContact NZ-O 3.48Å; L113-I125 HydrophobicContact CD1-CB 4.27Å; L113-I125 HydrophobicContact CD1-CD1 4.24Å; L113-I125 HydrophobicContact CD1-CG2 3.59Å; F118-I125 HydrophobicContact CB-CD1 3.82Å; F118-I125 HydrophobicContact CD1-CD1 3.52Å; F118-I125 HydrophobicContact CD2-CD1 3.4Å; F118-I125 HydrophobicContact CE1-CD1 3.82Å; F118-I125 HydrophobicContact CE2-CD1 3.72Å; F118-I125 HydrophobicContact CG-CD1 3.28Å; F118-I125 HydrophobicContact CZ-CD1 3.92Å; Q122-I125 PolarHBondContact O-N 2.96Å; I125-V141 HydrophobicContact CG1-CG1 4.49Å; I125-V141 HydrophobicContact CG2-CG1 4.01Å; I125-W142 CarbonylContact C-O 3.59Å; I125-W142 WeakPolarHBondContact CA-O 3.06Å; I125-T143 HydrophobicContact CG1-CG2 4.49Å; I125-I155 HydrophobicContact CD1-CG2 4.14Å; I125-I155 HydrophobicContact CG1-CD1 4.22Å; I125-I155 HydrophobicContact CG1-CG2 4.12Å
126	C	98.6	Very high	96.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-42.6	176.2	-59.6	0	0	0	0	111.4	F72 K73 I76 N85 W142	F72-C126 HydrophobicContact CD1-CB 4.26Å; F72-C126 HydrophobicContact CE1-CB 4.12Å; K73-C126 PolarHBondContact N-O 3.05Å; I76-C126 HydrophobicContact CD1-CB 4.15Å; I76-C126 HydrophobicContact CG2-CB 4.37Å; N85-C126 VanDerWaalsContact OD1-CB 3.22Å; N85-C126 WeakPolarHBondContact OD1-CB 3.4Å; N85-C126 PolarHBondContact OD1-SG 3.34Å; C126-W142 HydrophobicContact CB-CB 4.17Å; C126-W142 PolarHBondContact N-O 3.4Å
127	G	98.6	Very high	96.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-179.8	-175.9	0	0	0	0	0	113.4	F71 W142	F71-G127 CarbonylContact O-C 3.57Å; F71-G127 WeakPolarHBondContact O-CA 3.44Å; G127-W142 PolarHBondContact O-N 3.09Å
128	V	98.7	Very high	96.3	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.8	174.8	-175.5	0	0	0	0	108.8	F71 W106 L109 L110 L113 I139 C140 V141	F71-V128 PolarHBondContact N-O 3.23Å; F71-V128 PolarHBondContact O-N 2.73Å; W106-V128 HydrophobicContact CE3-CG1 3.95Å; W106-V128 HydrophobicContact CZ3-CB 4.14Å; W106-V128 HydrophobicContact CZ3-CG1 3.73Å; L109-V128 HydrophobicContact CB-CG1 4.48Å; L109-V128 HydrophobicContact CD1-CG1 4.37Å; L110-V128 HydrophobicContact CD2-CB 4.01Å; L110-V128 HydrophobicContact CD2-CG1 4.45Å; L110-V128 HydrophobicContact CD2-CG2 4.29Å; L113-V128 HydrophobicContact CD2-CG2 3.95Å; V128-I139 HydrophobicContact CG1-CG2 3.98Å; V128-C140 CarbonylContact C-O 3.41Å; V128-C140 VanDerWaalsContact CA-O 3.25Å; V128-C140 WeakPolarHBondContact CA-O 3.09Å; V128-C140 WeakPolarHBondContact CG1-O 3.41Å; V128-V141 HydrophobicContact CG2-CG2 4.39Å
129	V	98.5	Very high	96.4	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.2	179	-177.6	0	0	0	0	109.4	L69 Y70 F72 N131 I139 C140 W142	L69-V129 CarbonylContact O-C 3.59Å; L69-V129 WeakPolarHBondContact O-CA 3.27Å; Y70-V129 HydrophobicContact CD1-CB 4.25Å; Y70-V129 HydrophobicContact CD1-CG1 3.69Å; Y70-V129 HydrophobicContact CD1-CG2 3.62Å; Y70-V129 HydrophobicContact CE1-CG1 3.54Å; Y70-V129 HydrophobicContact CE1-CG2 4.12Å; Y70-V129 HydrophobicContact CG-CG1 4.43Å; Y70-V129 HydrophobicContact CG-CG2 4.49Å; F72-V129 HydrophobicContact CE2-CG2 3.55Å; F72-V129 HydrophobicContact CZ-CG2 3.84Å; V129-N131 WeakPolarHBondContact CG1-OD1 3.34Å; V129-I139 CarbonylContact O-C 3.56Å; V129-I139 VanDerWaalsContact O-CA 3.26Å; V129-I139 WeakPolarHBondContact O-CA 3.31Å; V129-C140 HydrophobicContact CB-CB 4.2Å; V129-C140 PolarHBondContact N-O 2.85Å; V129-C140 PolarHBondContact O-N 3.5Å; V129-W142 HydrophobicContact CG2-CG 4.44Å; V129-W142 HydrophobicContact CG2-CZ2 4.43Å; V129-W142 VanDerWaalsContact CG2-NE1 3.34Å
130	A	98.4	Very high	96.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.9	161.8	0	0	0	0	0	108.1	V65 D68 L69 M102 W106	V65-A130 HydrophobicContact CG1-CB 3.72Å; V65-A130 HydrophobicContact CG2-CB 4.28Å; D68-A130 CarbonylContact C-O 3.52Å; D68-A130 WeakPolarHBondContact CA-O 3.26Å; L69-A130 HydrophobicContact CB-CB 4.34Å; L69-A130 PolarHBondContact N-O 2.9Å; L69-A130 PolarHBondContact O-N 2.75Å; M102-A130 HydrophobicContact CE-CB 3.74Å; W106-A130 HydrophobicContact CD2-CB 4.29Å; W106-A130 HydrophobicContact CE3-CB 3.74Å; W106-A130 HydrophobicContact CZ3-CB 3.89Å
131	N	97.1	Very high	96.7	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.3	171.5	-61.6	116.2	0	0	0	109.2	D68 M102 V129 S137 K138	D68-N131 VanDerWaalsContact OD1-CA 3.27Å; D68-N131 WeakPolarHBondContact OD1-CA 3.29Å; D68-N131 PolarHBondContact OD2-ND2 3.26Å; M102-N131 WeakPolarHBondContact CE-O 3.26Å; V129-N131 WeakPolarHBondContact CG1-OD1 3.34Å; N131-S137 CarbonylContact O-C 3.49Å; N131-S137 WeakPolarHBondContact O-CA 2.99Å; N131-S137 VanDerWaalsContact O-CB 3.29Å; N131-S137 WeakPolarHBondContact O-CB 3.39Å; N131-K138 PolarHBondContact N-O 3.15Å; N131-K138 PolarHBondContact O-N 2.8Å
132	V	95.5	Very high	96.7	Very high	36 Å²	36	42 Å²	42	22%	0.218	19%	0.186	C	C	.	.			trans	-98.4	118.7	-178.1	178.5	0	0	0	0	109.7	V65 T67 D68 M99 M102	V65-V132 HydrophobicContact CG1-CG2 3.48Å; V65-V132 VanDerWaalsContact CG1-CG2 3.48Å; T67-V132 WeakPolarHBondContact O-CG2 3.38Å; D68-V132 PolarHBondContact OD1-N 2.89Å; M99-V132 HydrophobicContact SD-CG1 4.43Å; M102-V132 HydrophobicContact CE-CG2 3.83Å; M102-V132 HydrophobicContact SD-CG2 4.14Å
133	R	94.1	Very high	96.7	Very high	123 Å²	123	42 Å²	42	46%	0.464	19%	0.186	S	C	.	.			trans	-137.4	155	176	-60	-68	178.7	-78.3	-0	108.7	D68 R135 S137	D68-R133 IonicContact OD1-CZ 2.96Å; D68-R133 IonicContact OD1-NH1 2.67Å; D68-R133 PolarHBondContact OD1-NH1 3.03Å; D68-R133 IonicContact OD2-CZ 3.41Å; D68-R133 IonicContact OD2-NH1 2.71Å; D68-R133 PolarHBondContact OD2-NH1 3.38Å; D68-R133 IonicContact OD2-NH2 3.86Å; D68-R133 PolarHBondContact OD2-NH2 2.62Å; R133-R135 PolarHBondContact O-N 3.43Å; R133-S137 PolarHBondContact N-OG 3.11Å; R133-S137 PolarHBondContact O-OG 2.82Å
134	K	88.9	Confident	96.7	Very high	189 Å²	189	42.8 Å²	42.8	82%	0.822	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-30	-178.8	-171.3	174.2	-177	174.4	0	115
135	R	89.6	Confident	96.5	Very high	183 Å²	183	41.4 Å²	41.4	69%	0.691	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.5	-24.2	-176.3	-66.6	-68	-169.6	148.8	2.7	115.1	R133	R133-R135 PolarHBondContact O-N 3.43Å
136	K	93.2	Very high	96.2	Very high	164 Å²	164	41.5 Å²	41.5	71%	0.713	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.5	46.1	-168.6	-63.6	-174.1	-179.1	178.7	0	110.7
137	S	97	Very high	95.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	147.5	172.6	-61.2	0	0	0	0	110.5	M95 G96 N131 R133	M95-S137 PolarHBondContact N-O 3.44Å; G96-S137 VanDerWaalsContact O-CB 3.31Å; G96-S137 WeakPolarHBondContact O-CB 2.99Å; G96-S137 PolarHBondContact O-N 2.95Å; G96-S137 PolarHBondContact O-OG 3.37Å; N131-S137 CarbonylContact O-C 3.49Å; N131-S137 WeakPolarHBondContact O-CA 2.99Å; N131-S137 VanDerWaalsContact O-CB 3.29Å; N131-S137 WeakPolarHBondContact O-CB 3.39Å; R133-S137 PolarHBondContact N-OG 3.11Å; R133-S137 PolarHBondContact O-OG 2.82Å
138	K	97.8	Very high	95.7	Very high	66 Å²	66	49.6 Å²	49.6	29%	0.287	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.2	-174.4	-66.8	171.8	178.2	-174.5	0	110.2	I92 L93 N131	I92-K138 HydrophobicContact CG2-CB 4.23Å; I92-K138 HydrophobicContact CG2-CD 3.73Å; I92-K138 HydrophobicContact CG2-CG 4.03Å; L93-K138 VanDerWaalsContact O-CA 3.3Å; L93-K138 WeakPolarHBondContact O-CA 3.32Å; N131-K138 PolarHBondContact N-O 3.15Å; N131-K138 PolarHBondContact O-N 2.8Å
139	I	98.4	Very high	95.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.3	160.4	-69.7	172.9	0	0	0	107.8	L93 M95 M102 V105 W106 L109 V128 V129	L93-I139 PolarHBondContact N-O 3.04Å; L93-I139 PolarHBondContact O-N 3.45Å; M95-I139 HydrophobicContact CG-CB 4.41Å; M95-I139 HydrophobicContact CG-CD1 4.1Å; M95-I139 HydrophobicContact CG-CG1 3.97Å; M95-I139 HydrophobicContact SD-CD1 4.31Å; M102-I139 HydrophobicContact CE-CG1 4.26Å; M102-I139 HydrophobicContact CG-CD1 3.97Å; M102-I139 HydrophobicContact CG-CG1 4.31Å; M102-I139 WeakPolarHBondContact O-CD1 3.4Å; V105-I139 HydrophobicContact CB-CD1 3.71Å; V105-I139 HydrophobicContact CG1-CB 4.43Å; V105-I139 HydrophobicContact CG1-CD1 3.47Å; V105-I139 VanDerWaalsContact CG1-CD1 3.47Å; V105-I139 HydrophobicContact CG1-CG2 4.38Å; W106-I139 HydrophobicContact CB-CD1 4.01Å; L109-I139 HydrophobicContact CD1-CG2 3.57Å; V128-I139 HydrophobicContact CG1-CG2 3.98Å; V129-I139 CarbonylContact O-C 3.56Å; V129-I139 VanDerWaalsContact O-CA 3.26Å; V129-I139 WeakPolarHBondContact O-CA 3.31Å
140	C	98.4	Very high	95.1	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.5	-176.5	-50.2	0	0	0	0	111.7	R90 W91 V128 V129	R90-C140 HydrophobicContact CB-CB 4.36Å; W91-C140 CarbonylContact O-C 3.45Å; W91-C140 WeakPolarHBondContact O-CA 3.41Å; V128-C140 CarbonylContact C-O 3.41Å; V128-C140 VanDerWaalsContact CA-O 3.25Å; V128-C140 WeakPolarHBondContact CA-O 3.09Å; V128-C140 WeakPolarHBondContact CG1-O 3.41Å; V129-C140 HydrophobicContact CB-CB 4.2Å; V129-C140 PolarHBondContact N-O 2.85Å; V129-C140 PolarHBondContact O-N 3.5Å
141	V	98.5	Very high	95	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.7	170.2	-177.5	0	0	0	0	108.3	R90 W91 L109 I125 V128 I155	R90-V141 CarbonylContact C-O 3.57Å; R90-V141 VanDerWaalsContact CA-O 3.25Å; R90-V141 WeakPolarHBondContact CA-O 3.3Å; W91-V141 HydrophobicContact CB-CB 4.43Å; W91-V141 PolarHBondContact N-O 3.19Å; W91-V141 PolarHBondContact O-N 2.93Å; L109-V141 HydrophobicContact CD1-CG2 4.25Å; L109-V141 HydrophobicContact CD2-CG2 4.36Å; I125-V141 HydrophobicContact CG1-CG1 4.49Å; I125-V141 HydrophobicContact CG2-CG1 4.01Å; V128-V141 HydrophobicContact CG2-CG2 4.39Å; V141-I155 HydrophobicContact CG1-CG2 4.27Å
142	W	98.5	Very high	94.9	Very high	17 Å²	17	60 Å²	60	6%	0.064	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.6	-177.1	-74.6	46.9	0	0	0	110.5	F72 W80 N85 R90 I125 C126 G127 V129 H178	F72-W142 HydrophobicContact CE1-CB 4.27Å; F72-W142 HydrophobicContact CE1-CD2 4.23Å; F72-W142 AromaticContact CE1-CE3 3.97Å; F72-W142 HydrophobicContact CE1-CE3 3.97Å; F72-W142 HydrophobicContact CE1-CG 4.38Å; F72-W142 HydrophobicContact CZ-CB 4.1Å; F72-W142 AromaticContact CZ-CD2 3.76Å; F72-W142 HydrophobicContact CZ-CD2 3.76Å; F72-W142 AromaticContact CZ-CE3 3.9Å; F72-W142 HydrophobicContact CZ-CE3 3.9Å; F72-W142 AromaticContact CZ-CG 3.85Å; F72-W142 HydrophobicContact CZ-CG 3.85Å; W80-W142 HydrophobicContact CB-CH2 4.4Å; W80-W142 HydrophobicContact CB-CZ3 4.44Å; N85-W142 HydrophobicContact CB-CE3 4.3Å; N85-W142 HydrophobicContact CB-CZ3 4.3Å; R90-W142 HydrophobicContact CB-CG 4.1Å; I125-W142 CarbonylContact C-O 3.59Å; I125-W142 WeakPolarHBondContact CA-O 3.06Å; C126-W142 HydrophobicContact CB-CB 4.17Å; C126-W142 PolarHBondContact N-O 3.4Å; G127-W142 PolarHBondContact O-N 3.09Å; V129-W142 HydrophobicContact CG2-CG 4.44Å; V129-W142 HydrophobicContact CG2-CZ2 4.43Å; V129-W142 VanDerWaalsContact CG2-NE1 3.34Å; W142-H178 AromaticContact CD2-CE1 3.53Å; W142-H178 AromaticContact CD2-NE2 3.7Å; W142-H178 AromaticContact CE2-CE1 3.72Å; W142-H178 AromaticContact CE3-CE1 3.32Å; W142-H178 AromaticContact CE3-NE2 3.32Å; W142-H178 VanDerWaalsContact CE3-NE2 3.32Å; W142-H178 AromaticContact CH2-CE1 3.57Å; W142-H178 AromaticContact CZ2-CE1 3.76Å; W142-H178 AromaticContact CZ3-CE1 3.35Å; W142-H178 WeakPolarHBondContact CZ3-CE1 3.39Å; W142-H178 AromaticContact CZ3-NE2 3.69Å
143	T	97.8	Very high	94.8	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.9	-174.7	66	0	0	0	0	111.1	G88 G89 Q124 I125 I155 Y175	G88-T143 CarbonylContact C-O 3.57Å; G88-T143 WeakPolarHBondContact CA-O 3.25Å; G89-T143 PolarHBondContact N-O 3.13Å; G89-T143 PolarHBondContact O-N 3.15Å; G89-T143 PolarHBondContact O-OG1 2.92Å; G89-T143 VanDerWaalsContact O-OG1 3.1Å; Q124-T143 CarbonylContact O-C 3.49Å; Q124-T143 WeakPolarHBondContact O-CA 3.07Å; I125-T143 HydrophobicContact CG1-CG2 4.49Å; T143-I155 HydrophobicContact CG2-CD1 3.84Å; T143-I155 HydrophobicContact CG2-CG2 3.9Å; T143-Y175 PolarHBondContact OG1-OH 3.4Å
144	N	96.6	Very high	94.9	Very high	59 Å²	59	57.2 Å²	57.2	32%	0.316	27%	0.273	S	S	.	.	S	Bend	trans	-98.6	6.2	-179.4	64.8	14.2	0	0	0	114.3	A84 Q124	A84-N144 WeakPolarHBondContact O-CB 3.09Å; Q124-N144 WeakPolarHBondContact CA-OD1 3.05Å; Q124-N144 PolarHBondContact O-N 3.45Å; Q124-N144 PolarHBondContact O-OD1 2.86Å
145	C	94.2	Very high	95.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	23%	0.234	C	C	.	.			trans	-117.2	38.8	-166.8	68.1	0	0	0	0	113.6	Q124 S147 E148 T152	Q124-C145 HydrophobicContact CB-CB 4.2Å; Q124-C145 HydrophobicContact CG-CB 3.74Å; C145-S147 PolarHBondContact O-N 3.02Å; C145-S147 VanDerWaalsContact O-N 3.13Å; C145-E148 HydrophobicContact CB-CB 4.2Å; C145-E148 HydrophobicContact CB-CG 4.45Å; C145-E148 PolarHBondContact O-N 3.05Å; C145-T152 PolarHBondContact O-OG1 3Å; C145-T152 VanDerWaalsContact O-OG1 3.05Å
146	A	92.8	Very high	95.6	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.025	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.3	-171.5	0	0	0	0	0	115	N87 G88 E148 Y175 V177 R181	N87-A146 WeakPolarHBondContact O-CB 3.31Å; N87-A146 PolarHBondContact O-N 2.91Å; G88-A146 WeakPolarHBondContact O-CB 3.26Å; A146-E148 VanDerWaalsContact C-N 3.33Å; A146-Y175 WeakPolarHBondContact CA-OH 3.14Å; A146-Y175 HydrophobicContact CB-CE1 4.2Å; A146-Y175 WeakPolarHBondContact CB-OH 3.22Å; A146-V177 HydrophobicContact CB-CG1 4.35Å; A146-V177 HydrophobicContact CB-CG2 4.3Å; A146-R181 VanDerWaalsContact C-NH1 3.32Å
147	S	91.4	Very high	95.8	Very high	87 Å²	87	33.6 Å²	33.6	61%	0.608	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.9	172.6	32.7	0	0	0	0	113.1	C145 K149 R181	C145-S147 PolarHBondContact O-N 3.02Å; C145-S147 VanDerWaalsContact O-N 3.13Å; S147-K149 PolarHBondContact O-N 2.81Å; S147-R181 PolarHBondContact OG-NH2 3.38Å
148	E	93.5	Very high	95.7	Very high	82 Å²	82	35.3 Å²	35.3	38%	0.383	19%	0.189	S	C	.	.			trans	-95.4	71.2	-177	-58.1	-168.7	-93.9	0	0	110.3	C145 A146 A150 K151 T152	C145-E148 HydrophobicContact CB-CB 4.2Å; C145-E148 HydrophobicContact CB-CG 4.45Å; C145-E148 PolarHBondContact O-N 3.05Å; A146-E148 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 2.81Å; E148-K151 HydrophobicContact CB-CB 4.16Å; E148-K151 HydrophobicContact CB-CD 4.19Å; E148-K151 HydrophobicContact CB-CG 4.26Å; E148-K151 PolarHBondContact O-N 2.93Å; E148-K151 IonicContact OE1-NZ 3.65Å; E148-K151 PolarHBondContact OE1-NZ 2.83Å; E148-K151 WeakPolarHBondContact OE2-CD 3.43Å; E148-K151 WeakPolarHBondContact OE2-CE 3.29Å; E148-K151 IonicContact OE2-NZ 3.47Å; E148-K151 PolarHBondContact OE2-NZ 3.01Å; E148-T152 PolarHBondContact O-N 2.67Å; E148-T152 PolarHBondContact O-OG1 3.45Å
149	K	91.9	Very high	95.7	Very high	115 Å²	115	32.2 Å²	32.2	50%	0.5	18%	0.176	S	C	.	.	H	α-helix	trans	-45.6	-42.5	-174.5	-179.8	175.3	176.5	179	0	113.6	S147 T152 I153 F188	S147-K149 PolarHBondContact O-N 2.81Å; K149-T152 PolarHBondContact O-N 2.95Å; K149-I153 HydrophobicContact CD-CD1 4.34Å; K149-I153 HydrophobicContact CG-CD1 3.67Å; K149-I153 HydrophobicContact CG-CG1 4.33Å; K149-I153 WeakPolarHBondContact O-CB 3.19Å; K149-I153 VanDerWaalsContact O-CG1 3.26Å; K149-I153 WeakPolarHBondContact O-CG1 3.43Å; K149-I153 PolarHBondContact O-N 3.1Å; K149-F188 HydrophobicContact CB-CZ 4.47Å; K149-F188 HydrophobicContact CD-CE1 3.79Å; K149-F188 HydrophobicContact CD-CZ 3.72Å; K149-F188 HydrophobicContact CG-CE1 4.12Å; K149-F188 HydrophobicContact CG-CE2 4.33Å; K149-F188 HydrophobicContact CG-CZ 3.73Å
150	A	94	Very high	95.6	Very high	68 Å²	68	32.5 Å²	32.5	56%	0.562	18%	0.177	S	C	*	.	H	α-helix	trans	-62.5	-45.1	179.1	0	0	0	0	0	112.7	E148 K154	E148-A150 PolarHBondContact O-N 2.81Å; A150-K154 VanDerWaalsContact O-CG 3.3Å; A150-K154 WeakPolarHBondContact O-CG 3.21Å; A150-K154 PolarHBondContact O-N 3.2Å; A150-K154 VanDerWaalsContact O-N 3.09Å
151	K	95.5	Very high	95.4	Very high	64 Å²	64	35.9 Å²	35.9	28%	0.278	20%	0.201	S	C	.	.	H	α-helix	trans	-65.4	-46.2	177.2	-68.9	-173.1	-174.8	162.4	0	110.7	L121 Q124 E148 I153 K154 I155	L121-K151 HydrophobicContact CD2-CB 3.9Å; L121-K151 HydrophobicContact CD2-CD 4.34Å; L121-K151 HydrophobicContact CD2-CG 3.88Å; Q124-K151 HydrophobicContact CG-CD 4.14Å; E148-K151 HydrophobicContact CB-CB 4.16Å; E148-K151 HydrophobicContact CB-CD 4.19Å; E148-K151 HydrophobicContact CB-CG 4.26Å; E148-K151 PolarHBondContact O-N 2.93Å; E148-K151 IonicContact OE1-NZ 3.65Å; E148-K151 PolarHBondContact OE1-NZ 2.83Å; E148-K151 WeakPolarHBondContact OE2-CD 3.43Å; E148-K151 WeakPolarHBondContact OE2-CE 3.29Å; E148-K151 IonicContact OE2-NZ 3.47Å; E148-K151 PolarHBondContact OE2-NZ 3.01Å; K151-I153 VanDerWaalsContact C-N 3.34Å; K151-I153 PolarHBondContact O-N 2.8Å; K151-K154 PolarHBondContact O-N 3.42Å; K151-I155 WeakPolarHBondContact O-CG1 3.42Å; K151-I155 PolarHBondContact O-N 2.9Å
152	T	94.6	Very high	95.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.4	-47.5	177.9	-60.8	0	0	0	0	111.9	W91 C145 E148 K149 I155 G156 Y175	W91-T152 HydrophobicContact CZ2-CG2 4Å; W91-T152 PolarHBondContact NE1-O 2.87Å; C145-T152 PolarHBondContact O-OG1 3Å; C145-T152 VanDerWaalsContact O-OG1 3.05Å; E148-T152 PolarHBondContact O-N 2.67Å; E148-T152 PolarHBondContact O-OG1 3.45Å; K149-T152 PolarHBondContact O-N 2.95Å; T152-I155 PolarHBondContact O-N 2.83Å; T152-G156 PolarHBondContact O-N 2.82Å; T152-Y175 HydrophobicContact CG2-CD1 3.91Å; T152-Y175 HydrophobicContact CG2-CD2 3.48Å; T152-Y175 VanDerWaalsContact CG2-CD2 3.48Å; T152-Y175 HydrophobicContact CG2-CE1 3.72Å; T152-Y175 HydrophobicContact CG2-CE2 3.26Å; T152-Y175 HydrophobicContact CG2-CG 3.79Å
153	I	94.7	Very high	95.2	Very high	36 Å²	36	36.6 Å²	36.6	19%	0.185	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-45.3	177.5	-73.6	173.3	0	0	0	111.2	K149 K151 I155 G156 Y157	K149-I153 HydrophobicContact CD-CD1 4.34Å; K149-I153 HydrophobicContact CG-CD1 3.67Å; K149-I153 HydrophobicContact CG-CG1 4.33Å; K149-I153 WeakPolarHBondContact O-CB 3.19Å; K149-I153 VanDerWaalsContact O-CG1 3.26Å; K149-I153 WeakPolarHBondContact O-CG1 3.43Å; K149-I153 PolarHBondContact O-N 3.1Å; K151-I153 VanDerWaalsContact C-N 3.34Å; K151-I153 PolarHBondContact O-N 2.8Å; I153-I155 VanDerWaalsContact C-N 3.33Å; I153-I155 PolarHBondContact O-N 2.9Å; I153-G156 PolarHBondContact O-N 2.87Å; I153-G156 VanDerWaalsContact O-N 3.15Å; I153-Y157 HydrophobicContact CG2-CD2 3.52Å; I153-Y157 HydrophobicContact CG2-CE2 3.32Å; I153-Y157 VanDerWaalsContact O-CD2 3.24Å; I153-Y157 WeakPolarHBondContact O-CD2 3.4Å; I153-Y157 PolarHBondContact O-N 2.82Å
154	K	95.8	Very high	95.1	Very high	64 Å²	64	41.7 Å²	41.7	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-40.3	177.3	-69.3	-178	-158.4	-140.5	0	112.4	L121 A150 K151 G156 Y157 A158 Y196	L121-K154 HydrophobicContact CD1-CB 3.41Å; L121-K154 VanDerWaalsContact CD1-CB 3.41Å; L121-K154 HydrophobicContact CD1-CD 4.17Å; L121-K154 HydrophobicContact CD1-CG 4.45Å; A150-K154 VanDerWaalsContact O-CG 3.3Å; A150-K154 WeakPolarHBondContact O-CG 3.21Å; A150-K154 PolarHBondContact O-N 3.2Å; A150-K154 VanDerWaalsContact O-N 3.09Å; K151-K154 PolarHBondContact O-N 3.42Å; K154-G156 VanDerWaalsContact C-N 3.34Å; K154-Y157 PolarHBondContact O-N 2.8Å; K154-A158 WeakPolarHBondContact O-CB 3.27Å; K154-A158 PolarHBondContact O-N 3.47Å; K154-Y196 WeakPolarHBondContact CE-OH 3.46Å; K154-Y196 HydrophobicContact CG-CE1 4.15Å; K154-Y196 HydrophobicContact CG-CE2 4.14Å; K154-Y196 PolarHBondContact NZ-OH 3.39Å
155	I	97.5	Very high	95	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-42.1	175.1	-67.4	167.5	0	0	0	110.8	F118 L121 Q124 I125 V141 T143 K151 T152 I153 A158 S159	F118-I155 HydrophobicContact CE1-CG2 4.43Å; L121-I155 HydrophobicContact CB-CD1 4.32Å; L121-I155 HydrophobicContact CB-CG1 3.85Å; L121-I155 HydrophobicContact CD1-CG1 4.08Å; L121-I155 HydrophobicContact CG-CG1 4.37Å; Q124-I155 HydrophobicContact CB-CD1 3.81Å; I125-I155 HydrophobicContact CD1-CG2 4.14Å; I125-I155 HydrophobicContact CG1-CD1 4.22Å; I125-I155 HydrophobicContact CG1-CG2 4.12Å; V141-I155 HydrophobicContact CG1-CG2 4.27Å; T143-I155 HydrophobicContact CG2-CD1 3.84Å; T143-I155 HydrophobicContact CG2-CG2 3.9Å; K151-I155 WeakPolarHBondContact O-CG1 3.42Å; K151-I155 PolarHBondContact O-N 2.9Å; T152-I155 PolarHBondContact O-N 2.83Å; I153-I155 VanDerWaalsContact C-N 3.33Å; I153-I155 PolarHBondContact O-N 2.9Å; I155-A158 PolarHBondContact O-N 2.92Å; I155-S159 WeakPolarHBondContact O-CB 3.37Å; I155-S159 PolarHBondContact O-N 2.73Å; I155-S159 PolarHBondContact O-OG 2.78Å
156	G	96.5	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-48.5	176.9	0	0	0	0	0	112.2	T152 I153 K154 A158 S159 L160	T152-G156 PolarHBondContact O-N 2.82Å; I153-G156 PolarHBondContact O-N 2.87Å; I153-G156 VanDerWaalsContact O-N 3.15Å; K154-G156 VanDerWaalsContact C-N 3.34Å; G156-A158 PolarHBondContact O-N 2.92Å; G156-S159 PolarHBondContact O-N 2.99Å; G156-L160 WeakPolarHBondContact O-CB 3.34Å; G156-L160 PolarHBondContact O-N 2.84Å
157	Y	95.7	Very high	95.2	Very high	40 Å²	40	49.8 Å²	49.8	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-43.9	175.6	-82.8	-67.7	0	0	0	113.1	I153 K154 L160 S161 L190 D194 Y196	I153-Y157 HydrophobicContact CG2-CD2 3.52Å; I153-Y157 HydrophobicContact CG2-CE2 3.32Å; I153-Y157 VanDerWaalsContact O-CD2 3.24Å; I153-Y157 WeakPolarHBondContact O-CD2 3.4Å; I153-Y157 PolarHBondContact O-N 2.82Å; K154-Y157 PolarHBondContact O-N 2.8Å; Y157-L160 PolarHBondContact O-N 2.85Å; Y157-S161 VanDerWaalsContact O-CB 3.24Å; Y157-S161 WeakPolarHBondContact O-CB 3.4Å; Y157-S161 PolarHBondContact O-N 3.16Å; Y157-S161 PolarHBondContact O-OG 3.08Å; Y157-L190 HydrophobicContact CD2-CD1 4.29Å; Y157-L190 HydrophobicContact CD2-CD2 4.32Å; Y157-L190 HydrophobicContact CE1-CD2 4.04Å; Y157-L190 HydrophobicContact CE2-CD2 3.76Å; Y157-L190 HydrophobicContact CG-CD1 4.37Å; Y157-D194 HydrophobicContact CE1-CB 3.65Å; Y157-D194 WeakPolarHBondContact CE1-O 3.12Å; Y157-D194 VanDerWaalsContact OH-CB 3.26Å; Y157-D194 WeakPolarHBondContact OH-CB 3.39Å; Y157-Y196 AromaticContact CD2-CD2 3.83Å; Y157-Y196 HydrophobicContact CD2-CD2 3.83Å; Y157-Y196 AromaticContact CD2-CG 3.99Å; Y157-Y196 HydrophobicContact CD2-CG 3.99Å; Y157-Y196 AromaticContact CE2-CD2 3.72Å; Y157-Y196 HydrophobicContact CE2-CD2 3.72Å; Y157-Y196 HydrophobicContact CE2-CG 4.12Å; Y157-Y196 HydrophobicContact CG-CG 4.44Å
158	A	96.5	Very high	95.2	Very high	36 Å²	36	51.8 Å²	51.8	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-44.5	178.1	0	0	0	0	0	111.2	F118 K154 I155 G156 S161 A162	F118-A158 HydrophobicContact CD1-CB 3.68Å; F118-A158 HydrophobicContact CE1-CB 3.76Å; K154-A158 WeakPolarHBondContact O-CB 3.27Å; K154-A158 PolarHBondContact O-N 3.47Å; I155-A158 PolarHBondContact O-N 2.92Å; G156-A158 PolarHBondContact O-N 2.92Å; A158-S161 PolarHBondContact O-N 3.3Å; A158-A162 WeakPolarHBondContact O-CB 3.47Å; A158-A162 PolarHBondContact O-N 3.1Å
159	S	97.6	Very high	95	Very high	1 Å²	1	54 Å²	54	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-47.9	176	-56.9	0	0	0	0	111.5	F118 I155 G156 A162 V163	F118-S159 WeakPolarHBondContact CE1-OG 3.39Å; I155-S159 WeakPolarHBondContact O-CB 3.37Å; I155-S159 PolarHBondContact O-N 2.73Å; I155-S159 PolarHBondContact O-OG 2.78Å; G156-S159 PolarHBondContact O-N 2.99Å; S159-A162 PolarHBondContact O-N 3.25Å; S159-V163 WeakPolarHBondContact O-CG2 3.32Å
160	L	95.9	Very high	94.9	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-43.3	179.5	-171.4	70	0	0	0	111.6	G156 Y157 A162 V163 K164 L167 M173 N191 Q192	G156-L160 WeakPolarHBondContact O-CB 3.34Å; G156-L160 PolarHBondContact O-N 2.84Å; Y157-L160 PolarHBondContact O-N 2.85Å; L160-A162 VanDerWaalsContact C-N 3.28Å; L160-A162 PolarHBondContact O-N 2.89Å; L160-V163 PolarHBondContact O-N 2.9Å; L160-K164 PolarHBondContact O-N 2.87Å; L160-L167 HydrophobicContact CD1-CD1 3.38Å; L160-M173 HydrophobicContact CB-SD 3.91Å; L160-M173 HydrophobicContact CD1-CG 3.98Å; L160-M173 HydrophobicContact CD1-SD 4.15Å; L160-N191 WeakPolarHBondContact CD2-O 3.34Å; L160-Q192 HydrophobicContact CD1-CG 4.47Å; L160-Q192 HydrophobicContact CD2-CG 4.35Å; L160-Q192 HydrophobicContact CG-CG 4.46Å
161	S	95	Very high	94.9	Very high	73 Å²	73	53.8 Å²	53.8	51%	0.51	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-35.4	178.8	-61.4	0	0	0	0	112.4	Y157 A158 V163 K164	Y157-S161 VanDerWaalsContact O-CB 3.24Å; Y157-S161 WeakPolarHBondContact O-CB 3.4Å; Y157-S161 PolarHBondContact O-N 3.16Å; Y157-S161 PolarHBondContact O-OG 3.08Å; A158-S161 PolarHBondContact O-N 3.3Å; S161-V163 VanDerWaalsContact C-N 3.26Å; S161-V163 PolarHBondContact O-N 3.26Å; S161-K164 WeakPolarHBondContact O-CG 3.45Å
162	A	95.5	Very high	94.8	Very high	31 Å²	31	53.6 Å²	53.6	26%	0.256	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-26.9	179.2	0	0	0	0	0	113.5	C112 A158 S159 L160	C112-A162 WeakPolarHBondContact SG-CB 3.41Å; A158-A162 WeakPolarHBondContact O-CB 3.47Å; A158-A162 PolarHBondContact O-N 3.1Å; S159-A162 PolarHBondContact O-N 3.25Å; L160-A162 VanDerWaalsContact C-N 3.28Å; L160-A162 PolarHBondContact O-N 2.89Å
163	V	96.9	Very high	94.8	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-121.3	5	-173.7	-56.7	0	0	0	0	114.2	L93 V105 H108 L109 S159 L160 S161 E165 F166 L167	L93-V163 HydrophobicContact CD2-CG2 4.35Å; V105-V163 HydrophobicContact CG1-CB 4.22Å; V105-V163 HydrophobicContact CG1-CG1 4.07Å; V105-V163 HydrophobicContact CG1-CG2 4.22Å; V105-V163 HydrophobicContact CG2-CB 4.22Å; H108-V163 HydrophobicContact CB-CG1 4.07Å; L109-V163 HydrophobicContact CD1-CG1 4.43Å; L109-V163 HydrophobicContact CD2-CG1 4.13Å; L109-V163 HydrophobicContact CG-CG1 3.74Å; S159-V163 WeakPolarHBondContact O-CG2 3.32Å; L160-V163 PolarHBondContact O-N 2.9Å; S161-V163 VanDerWaalsContact C-N 3.26Å; S161-V163 PolarHBondContact O-N 3.26Å; V163-E165 PolarHBondContact O-N 2.88Å; V163-F166 HydrophobicContact CB-CD2 4.2Å; V163-F166 WeakPolarHBondContact O-CD2 3.37Å; V163-F166 PolarHBondContact O-N 2.91Å; V163-L167 HydrophobicContact CG2-CD1 3.92Å; V163-L167 HydrophobicContact CG2-CD2 4.4Å; V163-L167 HydrophobicContact CG2-CG 4.19Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å
164	K	95.2	Very high	94.8	Very high	107 Å²	107	53.5 Å²	53.5	47%	0.465	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-50.8	-34.1	-174.5	68.6	-178.6	-179	172.8	0	114.3	L160 S161 F166 L167	L160-K164 PolarHBondContact O-N 2.87Å; S161-K164 WeakPolarHBondContact O-CG 3.45Å; K164-F166 PolarHBondContact O-N 2.74Å; K164-L167 PolarHBondContact O-N 3.05Å
165	E	95.3	Very high	94.8	Very high	156 Å²	156	50.5 Å²	50.5	73%	0.729	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.1	-178.4	-63.6	-177.9	177.1	0	0	112.6	V163	V163-E165 PolarHBondContact O-N 2.88Å
166	F	96	Very high	94.7	Very high	59 Å²	59	53 Å²	53	26%	0.259	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-94.8	-5.7	176	-49.1	-64.3	0	0	0	112.8	R101 A104 V105 H108 V163 K164	R101-F166 WeakPolarHBondContact CD-O 3.04Å; R101-F166 HydrophobicContact CG-CB 4.35Å; R101-F166 WeakPolarHBondContact CG-O 3.48Å; A104-F166 HydrophobicContact CB-CD1 3.66Å; A104-F166 HydrophobicContact CB-CD2 4.37Å; A104-F166 HydrophobicContact CB-CE1 3.83Å; A104-F166 HydrophobicContact CB-CG 3.97Å; A104-F166 HydrophobicContact CB-CZ 4.29Å; V105-F166 HydrophobicContact CG2-CB 3.76Å; V105-F166 HydrophobicContact CG2-CD2 4.32Å; V105-F166 HydrophobicContact CG2-CG 4.34Å; H108-F166 HydrophobicContact CB-CE2 4.18Å; H108-F166 AromaticContact CD2-CE2 3.69Å; H108-F166 AromaticContact CD2-CZ 3.94Å; H108-F166 AromaticContact CE1-CE2 3.55Å; H108-F166 AromaticContact CE1-CZ 3.19Å; H108-F166 WeakPolarHBondContact CE1-CZ 3.17Å; H108-F166 AromaticContact CG-CE2 3.48Å; H108-F166 VanDerWaalsContact CG-CE2 3.48Å; H108-F166 AromaticContact CG-CZ 3.97Å; H108-F166 AromaticContact ND1-CE2 3.37Å; H108-F166 WeakPolarHBondContact ND1-CE2 3.25Å; H108-F166 AromaticContact ND1-CZ 3.51Å; H108-F166 AromaticContact NE2-CE2 3.73Å; H108-F166 AromaticContact NE2-CZ 3.47Å; H108-F166 WeakPolarHBondContact NE2-CZ 3.48Å; V163-F166 HydrophobicContact CB-CD2 4.2Å; V163-F166 WeakPolarHBondContact O-CD2 3.37Å; V163-F166 PolarHBondContact O-N 2.91Å; K164-F166 PolarHBondContact O-N 2.74Å
167	L	94.3	Very high	94.5	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.094	28%	0.28	C	S	.	.	S	Bend	trans	-103.6	144.3	-171.7	-56.9	-169.5	0	0	0	112.3	L93 V105 L160 V163 K164 D171 Q192	L93-L167 HydrophobicContact CD1-CD1 4.08Å; L93-L167 HydrophobicContact CD1-CD2 4.27Å; L93-L167 HydrophobicContact CD2-CD1 4.15Å; L93-L167 HydrophobicContact CD2-CD2 3.66Å; L93-L167 HydrophobicContact CG-CD2 4.45Å; V105-L167 HydrophobicContact CG2-CD2 4.1Å; L160-L167 HydrophobicContact CD1-CD1 3.38Å; V163-L167 HydrophobicContact CG2-CD1 3.92Å; V163-L167 HydrophobicContact CG2-CD2 4.4Å; V163-L167 HydrophobicContact CG2-CG 4.19Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; K164-L167 PolarHBondContact O-N 3.05Å; L167-D171 WeakPolarHBondContact CA-OD2 3.26Å; L167-D171 HydrophobicContact CB-CB 4.14Å; L167-D171 HydrophobicContact CD1-CB 4.49Å; L167-Q192 PolarHBondContact O-NE2 3.13Å
168	K	92.1	Very high	94.3	Very high	129 Å²	129	52.9 Å²	52.9	56%	0.561	28%	0.275	S	S	*	.			trans	-73.6	154.7	167.1	-59.1	179.5	-177.1	-178.4	0	109.2	Q170 D171 Q192	K168-Q170 PolarHBondContact O-N 3.26Å; K168-Q170 VanDerWaalsContact O-N 3.15Å; K168-D171 PolarHBondContact N-OD2 2.94Å; K168-D171 WeakPolarHBondContact O-CB 2.95Å; K168-D171 PolarHBondContact O-N 3.43Å; K168-Q192 VanDerWaalsContact C-NE2 3.32Å; K168-Q192 PolarHBondContact O-NE2 2.95Å
169	I	88.5	Confident	93.1	Very high	130 Å²	130	59 Å²	59	67%	0.667	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.5	177.7	-61.4	175.4	0	0	0	111.6	D171	I169-D171 VanDerWaalsContact C-N 3.31Å; I169-D171 PolarHBondContact O-N 2.9Å
170	Q	91	Very high	91.6	Very high	152 Å²	152	61.2 Å²	61.2	71%	0.71	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.3	179.1	-49.9	94.1	12.4	0	0	114.1	K168 V172	K168-Q170 PolarHBondContact O-N 3.26Å; K168-Q170 VanDerWaalsContact O-N 3.15Å; Q170-V172 PolarHBondContact O-N 2.8Å
171	D	93.1	Very high	89.9	Confident	25 Å²	25	63.4 Å²	63.4	13%	0.134	33%	0.328	C	S	.	.			trans	-69.5	132.1	179.5	-70.2	-33	0	0	0	109.8	L93 R101 L167 K168 I169	L93-D171 HydrophobicContact CD1-CB 4.35Å; R101-D171 IonicContact CZ-OD2 3.8Å; R101-D171 IonicContact NH1-OD1 2.93Å; R101-D171 IonicContact NH1-OD2 2.89Å; R101-D171 PolarHBondContact NH1-OD2 3.37Å; L167-D171 WeakPolarHBondContact CA-OD2 3.26Å; L167-D171 HydrophobicContact CB-CB 4.14Å; L167-D171 HydrophobicContact CD1-CB 4.49Å; K168-D171 PolarHBondContact N-OD2 2.94Å; K168-D171 WeakPolarHBondContact O-CB 2.95Å; K168-D171 PolarHBondContact O-N 3.43Å; I169-D171 VanDerWaalsContact C-N 3.31Å; I169-D171 PolarHBondContact O-N 2.9Å
172	V	93.2	Very high	87.8	Confident	60 Å²	60	71.4 Å²	71.4	36%	0.364	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.2	-179.7	-61.4	0	0	0	0	110.7	Q170 L190 N191	Q170-V172 PolarHBondContact O-N 2.8Å; V172-L190 CarbonylContact C-O 3.54Å; V172-L190 VanDerWaalsContact CA-O 3.29Å; V172-L190 WeakPolarHBondContact CA-O 3.13Å; V172-N191 HydrophobicContact CG1-CB 3.99Å
173	M	95.1	Very high	85.7	Confident	4 Å²	4	79.7 Å²	79.7	2%	0.02	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.8	165.9	-68	-173.7	89	0	0	110	W91 I92 L93 L160 L189 L190	W91-M173 HydrophobicContact CB-CE 3.55Å; W91-M173 HydrophobicContact CE3-CB 3.76Å; W91-M173 HydrophobicContact CG-CE 4.36Å; W91-M173 HydrophobicContact CZ3-CB 4.27Å; I92-M173 CarbonylContact O-C 3.46Å; I92-M173 VanDerWaalsContact O-CA 3.31Å; I92-M173 WeakPolarHBondContact O-CA 3.11Å; L93-M173 HydrophobicContact CB-CE 4.42Å; L93-M173 HydrophobicContact CB-CG 4.2Å; L93-M173 HydrophobicContact CD1-CG 4.09Å; L160-M173 HydrophobicContact CB-SD 3.91Å; L160-M173 HydrophobicContact CD1-CG 3.98Å; L160-M173 HydrophobicContact CD1-SD 4.15Å; M173-L189 WeakPolarHBondContact O-CA 3.35Å; M173-L190 PolarHBondContact N-O 2.93Å; M173-L190 PolarHBondContact O-N 3.27Å
174	V	95.2	Very high	83.5	Confident	31 Å²	31	81.6 Å²	81.6	19%	0.188	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.9	176.3	-171.5	0	0	0	0	109.1	W91 I92 E176 F188 L189	W91-V174 CarbonylContact C-O 3.44Å; W91-V174 WeakPolarHBondContact CA-O 3.42Å; I92-V174 PolarHBondContact N-O 3.28Å; I92-V174 PolarHBondContact O-N 2.8Å; V174-E176 HydrophobicContact CG1-CG 4.35Å; V174-F188 CarbonylContact C-O 3.55Å; V174-F188 WeakPolarHBondContact CA-O 3.35Å; V174-L189 HydrophobicContact CB-CD2 4.12Å; V174-L189 HydrophobicContact CG1-CD2 3.97Å; V174-L189 HydrophobicContact CG2-CD2 3.59Å
175	Y	95.8	Very high	81.5	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.5	169.5	-164.8	-103.1	0	0	0	110.8	G89 R90 W91 T143 A146 T152 V177 K187 F188	G89-Y175 VanDerWaalsContact CA-OH 3.25Å; G89-Y175 WeakPolarHBondContact CA-OH 3.45Å; G89-Y175 PolarHBondContact N-OH 3.43Å; R90-Y175 WeakPolarHBondContact O-CA 3.37Å; R90-Y175 WeakPolarHBondContact O-CD2 3.39Å; W91-Y175 HydrophobicContact CB-CD2 4.46Å; W91-Y175 AromaticContact CD1-CD2 3.64Å; W91-Y175 AromaticContact CD1-CE2 3.98Å; W91-Y175 AromaticContact CD2-CD2 3.63Å; W91-Y175 HydrophobicContact CD2-CD2 3.63Å; W91-Y175 HydrophobicContact CD2-CG 4.25Å; W91-Y175 AromaticContact CE2-CD2 3.54Å; W91-Y175 HydrophobicContact CE3-CD2 4.3Å; W91-Y175 AromaticContact CG-CD2 3.69Å; W91-Y175 HydrophobicContact CG-CD2 3.69Å; W91-Y175 HydrophobicContact CG-CE2 4.39Å; W91-Y175 HydrophobicContact CZ2-CD2 4.15Å; W91-Y175 HydrophobicContact CZ2-CG 4.3Å; W91-Y175 AromaticContact NE1-CD2 3.55Å; W91-Y175 AromaticContact NE1-CE2 3.98Å; T143-Y175 PolarHBondContact OG1-OH 3.4Å; A146-Y175 WeakPolarHBondContact CA-OH 3.14Å; A146-Y175 HydrophobicContact CB-CE1 4.2Å; A146-Y175 WeakPolarHBondContact CB-OH 3.22Å; T152-Y175 HydrophobicContact CG2-CD1 3.91Å; T152-Y175 HydrophobicContact CG2-CD2 3.48Å; T152-Y175 VanDerWaalsContact CG2-CD2 3.48Å; T152-Y175 HydrophobicContact CG2-CE1 3.72Å; T152-Y175 HydrophobicContact CG2-CE2 3.26Å; T152-Y175 HydrophobicContact CG2-CG 3.79Å; Y175-V177 HydrophobicContact CE1-CG2 4.12Å; Y175-K187 WeakPolarHBondContact O-CA 3.48Å; Y175-F188 AromaticContact CD1-CD2 3.86Å; Y175-F188 HydrophobicContact CD1-CD2 3.86Å; Y175-F188 HydrophobicContact CD1-CE2 4.22Å; Y175-F188 HydrophobicContact CG-CD2 4.12Å; Y175-F188 PolarHBondContact N-O 3.28Å
176	E	93.8	Very high	79.9	Confident	52 Å²	52	80.4 Å²	80.4	24%	0.243	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.5	173	-66.7	-176.2	166.2	0	0	109.8	G89 R90 I92 V174	G89-E176 CarbonylContact C-O 3.46Å; G89-E176 WeakPolarHBondContact CA-O 3.47Å; R90-E176 HydrophobicContact CG-CB 4.49Å; R90-E176 IonicContact CZ-OE2 3.93Å; R90-E176 PolarHBondContact N-O 3.4Å; R90-E176 IonicContact NE-OE2 3.75Å; R90-E176 IonicContact NH2-OE2 3.16Å; R90-E176 PolarHBondContact NH2-OE2 3.14Å; R90-E176 VanDerWaalsContact NH2-OE2 3.16Å; R90-E176 PolarHBondContact O-N 2.94Å; I92-E176 HydrophobicContact CD1-CB 4.02Å; I92-E176 HydrophobicContact CD1-CG 3.66Å; I92-E176 WeakPolarHBondContact CD1-OE2 3.33Å; V174-E176 HydrophobicContact CG1-CG 4.35Å
177	V	93.1	Very high	78.8	Confident	28 Å²	28	83.9 Å²	83.9	17%	0.17	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	143.2	172	-177.2	0	0	0	0	109.2	A146 Y175 R181	A146-V177 HydrophobicContact CB-CG1 4.35Å; A146-V177 HydrophobicContact CB-CG2 4.3Å; Y175-V177 HydrophobicContact CE1-CG2 4.12Å; V177-R181 HydrophobicContact CG1-CB 3.41Å; V177-R181 VanDerWaalsContact CG1-CB 3.41Å; V177-R181 VanDerWaalsContact CG1-CD 3.47Å; V177-R181 HydrophobicContact CG1-CG 4.1Å
178	H	90.5	Very high	78.3	Confident	11 Å²	11	84.3 Å²	84.3	5%	0.051	41%	0.405	C	S	.	.			trans	-64	147.4	177.1	-68.1	-59.2	0	0	0	111.8	W80 N85 G88 G89 W142 G180 R181	W80-H178 HydrophobicContact CB-CB 4.29Å; N85-H178 PolarHBondContact O-CD2 2.98Å; N85-H178 VanDerWaalsContact O-CD2 3.28Å; G88-H178 VanDerWaalsContact C-CD2 3.44Å; G88-H178 PolarHBondContact O-N 2.8Å; G89-H178 VanDerWaalsContact CA-CD2 3.48Å; G89-H178 WeakPolarHBondContact CA-CD2 3.38Å; G89-H178 PolarHBondContact N-CD2 3.5Å; W142-H178 AromaticContact CD2-CE1 3.53Å; W142-H178 AromaticContact CD2-NE2 3.7Å; W142-H178 AromaticContact CE2-CE1 3.72Å; W142-H178 AromaticContact CE3-CE1 3.32Å; W142-H178 AromaticContact CE3-NE2 3.32Å; W142-H178 VanDerWaalsContact CE3-NE2 3.32Å; W142-H178 AromaticContact CH2-CE1 3.57Å; W142-H178 AromaticContact CZ2-CE1 3.76Å; W142-H178 AromaticContact CZ3-CE1 3.35Å; W142-H178 WeakPolarHBondContact CZ3-CE1 3.39Å; W142-H178 AromaticContact CZ3-NE2 3.69Å; H178-G180 PolarHBondContact O-N 2.98Å; H178-R181 PolarHBondContact O-N 3Å
179	E	72.9	Confident	78.1	Confident	164 Å²	164	83.6 Å²	83.6	77%	0.766	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.3	-167.1	-64.5	-174.3	176	0	0	114.6	R181	E179-R181 PolarHBondContact O-N 2.89Å
180	G	64.8	Low	78	Confident	47 Å²	47	77.8 Å²	77.8	49%	0.485	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.5	175.8	0	0	0	0	0	114.5	H178 R182	H178-G180 PolarHBondContact O-N 2.98Å; G180-R182 PolarHBondContact O-N 2.8Å
181	R	60.1	Low	77.9	Confident	52 Å²	52	72.6 Å²	72.6	20%	0.196	35%	0.354	C	S	.	.			trans	-99.6	62.3	-178.3	-132	-165.5	-156.2	-162	14.8	112.1	N87 A146 S147 V177 H178 E179 K183 V184	N87-R181 PolarHBondContact O-NH2 3.05Å; A146-R181 VanDerWaalsContact C-NH1 3.32Å; S147-R181 PolarHBondContact OG-NH2 3.38Å; V177-R181 HydrophobicContact CG1-CB 3.41Å; V177-R181 VanDerWaalsContact CG1-CB 3.41Å; V177-R181 VanDerWaalsContact CG1-CD 3.47Å; V177-R181 HydrophobicContact CG1-CG 4.1Å; H178-R181 PolarHBondContact O-N 3Å; E179-R181 PolarHBondContact O-N 2.89Å; R181-K183 PolarHBondContact O-N 2.78Å; R181-V184 PolarHBondContact O-N 2.9Å
182	R	51.1	Low	77.3	Confident	242 Å²	242	74.6 Å²	74.6	91%	0.913	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-8.8	-179.3	-75.6	-174.6	176.6	131.5	0.4	116.5	G180	G180-R182 PolarHBondContact O-N 2.8Å
183	K	51.3	Low	76.7	Confident	204 Å²	204	76.6 Å²	76.6	89%	0.887	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.7	-173.8	-64.9	-170.5	178.9	-179	0	115.6	R181	R181-K183 PolarHBondContact O-N 2.78Å
184	V	51.2	Low	76	Confident	42 Å²	42	78.8 Å²	78.8	26%	0.255	39%	0.387	S	S	.	.			trans	-142	97	-175.9	-170.8	0	0	0	0	111.7	R181 H186	R181-V184 PolarHBondContact O-N 2.9Å; V184-H186 VanDerWaalsContact C-N 3.33Å; V184-H186 HydrophobicContact CG1-CB 4.21Å; V184-H186 WeakPolarHBondContact CG1-CD2 3.47Å; V184-H186 VanDerWaalsContact CG1-NE2 3.34Å; V184-H186 WeakPolarHBondContact CG1-NE2 3.44Å; V184-H186 PolarHBondContact O-N 2.95Å
185	N	52.9	Low	74.7	Confident	148 Å²	148	86.1 Å²	86.1	79%	0.791	42%	0.417	S	S	*	.			trans	-91.3	69.3	174.6	-145.6	-6.7	0	0	0	109.8	K187	N185-K187 PolarHBondContact O-N 3.47Å
186	H	62.8	Low	72.9	Confident	90 Å²	90	90.4 Å²	90.4	42%	0.417	43%	0.433	S	S	.	.			trans	-91.6	97.2	173.1	-74.1	-33.2	0	0	0	109.8	V184 F188	V184-H186 VanDerWaalsContact C-N 3.33Å; V184-H186 HydrophobicContact CG1-CB 4.21Å; V184-H186 WeakPolarHBondContact CG1-CD2 3.47Å; V184-H186 VanDerWaalsContact CG1-NE2 3.34Å; V184-H186 WeakPolarHBondContact CG1-NE2 3.44Å; V184-H186 PolarHBondContact O-N 2.95Å; H186-F188 HydrophobicContact CB-CD2 4.32Å; H186-F188 HydrophobicContact CB-CE1 4.09Å; H186-F188 HydrophobicContact CB-CE2 3.56Å; H186-F188 HydrophobicContact CB-CZ 3.44Å; H186-F188 VanDerWaalsContact CB-CZ 3.44Å; H186-F188 AromaticContact CD2-CZ 3.94Å; H186-F188 AromaticContact CG-CZ 3.64Å
187	K	72.3	Confident	70.5	Confident	133 Å²	133	96.2 Å²	96.2	58%	0.578	46%	0.46	S	S	*	.			trans	-88.3	110.4	162.1	-70.3	-170.8	177.6	-173.1	0	108.6	Y175 N185	Y175-K187 WeakPolarHBondContact O-CA 3.48Å; N185-K187 PolarHBondContact O-N 3.47Å
188	F	82.7	Confident	68.3	Low	27 Å²	27	97.4 Å²	97.4	12%	0.118	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.6	168.9	-54.3	-63.1	0	0	0	108.5	W91 K149 V174 Y175 H186	W91-F188 HydrophobicContact CH2-CB 3.66Å; W91-F188 HydrophobicContact CZ3-CB 4.22Å; K149-F188 HydrophobicContact CB-CZ 4.47Å; K149-F188 HydrophobicContact CD-CE1 3.79Å; K149-F188 HydrophobicContact CD-CZ 3.72Å; K149-F188 HydrophobicContact CG-CE1 4.12Å; K149-F188 HydrophobicContact CG-CE2 4.33Å; K149-F188 HydrophobicContact CG-CZ 3.73Å; V174-F188 CarbonylContact C-O 3.55Å; V174-F188 WeakPolarHBondContact CA-O 3.35Å; Y175-F188 AromaticContact CD1-CD2 3.86Å; Y175-F188 HydrophobicContact CD1-CD2 3.86Å; Y175-F188 HydrophobicContact CD1-CE2 4.22Å; Y175-F188 HydrophobicContact CG-CD2 4.12Å; Y175-F188 PolarHBondContact N-O 3.28Å; H186-F188 HydrophobicContact CB-CD2 4.32Å; H186-F188 HydrophobicContact CB-CE1 4.09Å; H186-F188 HydrophobicContact CB-CE2 3.56Å; H186-F188 HydrophobicContact CB-CZ 3.44Å; H186-F188 VanDerWaalsContact CB-CZ 3.44Å; H186-F188 AromaticContact CD2-CZ 3.94Å; H186-F188 AromaticContact CG-CZ 3.64Å
189	L	87.8	Confident	65.6	Low	113 Å²	113	102.1 Å²	102.1	59%	0.592	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.1	171	-60.2	178.6	0	0	0	107.7	M173 V174	M173-L189 WeakPolarHBondContact O-CA 3.35Å; V174-L189 HydrophobicContact CB-CD2 4.12Å; V174-L189 HydrophobicContact CG1-CD2 3.97Å; V174-L189 HydrophobicContact CG2-CD2 3.59Å
190	L	88.2	Confident	63.9	Low	9 Å²	9	99.8 Å²	99.8	5%	0.047	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.4	168.9	-68.4	176.9	0	0	0	109.1	W91 Y157 V172 M173 D194	W91-L190 HydrophobicContact CE3-CD1 4.48Å; W91-L190 HydrophobicContact CH2-CB 4.45Å; W91-L190 HydrophobicContact CH2-CD1 3.34Å; W91-L190 HydrophobicContact CH2-CG 3.52Å; W91-L190 HydrophobicContact CZ2-CD1 3.67Å; W91-L190 HydrophobicContact CZ2-CG 4.34Å; W91-L190 HydrophobicContact CZ3-CB 4.25Å; W91-L190 HydrophobicContact CZ3-CD1 3.8Å; W91-L190 HydrophobicContact CZ3-CG 3.8Å; Y157-L190 HydrophobicContact CD2-CD1 4.29Å; Y157-L190 HydrophobicContact CD2-CD2 4.32Å; Y157-L190 HydrophobicContact CE1-CD2 4.04Å; Y157-L190 HydrophobicContact CE2-CD2 3.76Å; Y157-L190 HydrophobicContact CG-CD1 4.37Å; V172-L190 CarbonylContact C-O 3.54Å; V172-L190 VanDerWaalsContact CA-O 3.29Å; V172-L190 WeakPolarHBondContact CA-O 3.13Å; M173-L190 PolarHBondContact N-O 2.93Å; M173-L190 PolarHBondContact O-N 3.27Å; L190-D194 WeakPolarHBondContact CA-OD2 3.11Å
191	N	87.6	Confident	62.3	Low	43 Å²	43	106.5 Å²	106.5	23%	0.23	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	169.3	172.8	69.6	67.3	0	0	0	110.3	L160 V172 T193 D194	L160-N191 WeakPolarHBondContact CD2-O 3.34Å; V172-N191 HydrophobicContact CG1-CB 3.99Å; N191-T193 PolarHBondContact O-N 3.14Å; N191-T193 WeakPolarHBondContact OD1-CA 3Å; N191-T193 WeakPolarHBondContact OD1-CB 3.46Å; N191-T193 PolarHBondContact OD1-N 3.31Å; N191-T193 PolarHBondContact OD1-OG1 3.31Å; N191-D194 VanDerWaalsContact CG-CG 3.49Å; N191-D194 PolarHBondContact N-OD2 3.4Å; N191-D194 PolarHBondContact ND2-OD1 2.68Å; N191-D194 PolarHBondContact ND2-OD2 2.67Å; N191-D194 VanDerWaalsContact ND2-OD2 3.11Å; N191-D194 PolarHBondContact O-N 3.31Å; N191-D194 PolarHBondContact OD1-N 2.87Å; N191-D194 VanDerWaalsContact OD1-N 3.09Å; N191-D194 PolarHBondContact OD1-OD1 2.86Å
192	Q	81.8	Confident	61.2	Low	66 Å²	66	109.9 Å²	109.9	31%	0.308	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.3	-175.3	-60.8	-167.3	53.8	0	0	114.3	L160 L167 K168	L160-Q192 HydrophobicContact CD1-CG 4.47Å; L160-Q192 HydrophobicContact CD2-CG 4.35Å; L160-Q192 HydrophobicContact CG-CG 4.46Å; L167-Q192 PolarHBondContact O-NE2 3.13Å; K168-Q192 VanDerWaalsContact C-NE2 3.32Å; K168-Q192 PolarHBondContact O-NE2 2.95Å
193	T	80.4	Confident	60.4	Low	102 Å²	102	106.3 Å²	106.3	63%	0.626	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.4	-178.2	69	0	0	0	0	113.5	N191 K195	N191-T193 PolarHBondContact O-N 3.14Å; N191-T193 WeakPolarHBondContact OD1-CA 3Å; N191-T193 WeakPolarHBondContact OD1-CB 3.46Å; N191-T193 PolarHBondContact OD1-N 3.31Å; N191-T193 PolarHBondContact OD1-OG1 3.31Å; T193-K195 PolarHBondContact O-N 3.22Å
194	D	79.8	Confident	59.4	Low	51 Å²	51	100 Å²	100	27%	0.273	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-62.9	121.2	179.1	-65.7	-31.2	0	0	0	109.7	Y157 L190 N191	Y157-D194 HydrophobicContact CE1-CB 3.65Å; Y157-D194 WeakPolarHBondContact CE1-O 3.12Å; Y157-D194 VanDerWaalsContact OH-CB 3.26Å; Y157-D194 WeakPolarHBondContact OH-CB 3.39Å; L190-D194 WeakPolarHBondContact CA-OD2 3.11Å; N191-D194 VanDerWaalsContact CG-CG 3.49Å; N191-D194 PolarHBondContact N-OD2 3.4Å; N191-D194 PolarHBondContact ND2-OD1 2.68Å; N191-D194 PolarHBondContact ND2-OD2 2.67Å; N191-D194 VanDerWaalsContact ND2-OD2 3.11Å; N191-D194 PolarHBondContact O-N 3.31Å; N191-D194 PolarHBondContact OD1-N 2.87Å; N191-D194 VanDerWaalsContact OD1-N 3.09Å; N191-D194 PolarHBondContact OD1-OD1 2.86Å
195	K	67.9	Low	58.5	Low	185 Å²	185	107.8 Å²	107.8	80%	0.804	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-85.1	118.1	178.9	-67	-177.2	-177.3	174.8	0	109.5	T193	T193-K195 PolarHBondContact O-N 3.22Å
196	Y	57.1	Low	57.7	Low	90 Å²	90	110.7 Å²	110.7	35%	0.353	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-89.1	123	166.9	-174.1	-111.7	0	0	0	111	K154 Y157 S198	K154-Y196 WeakPolarHBondContact CE-OH 3.46Å; K154-Y196 HydrophobicContact CG-CE1 4.15Å; K154-Y196 HydrophobicContact CG-CE2 4.14Å; K154-Y196 PolarHBondContact NZ-OH 3.39Å; Y157-Y196 AromaticContact CD2-CD2 3.83Å; Y157-Y196 HydrophobicContact CD2-CD2 3.83Å; Y157-Y196 AromaticContact CD2-CG 3.99Å; Y157-Y196 HydrophobicContact CD2-CG 3.99Å; Y157-Y196 AromaticContact CE2-CD2 3.72Å; Y157-Y196 HydrophobicContact CE2-CD2 3.72Å; Y157-Y196 HydrophobicContact CE2-CG 4.12Å; Y157-Y196 HydrophobicContact CG-CG 4.44Å; Y196-S198 VanDerWaalsContact CE1-CA 3.43Å; Y196-S198 VanDerWaalsContact CE1-CB 3.42Å; Y196-S198 PolarHBondContact O-N 3.16Å
197	H	45.2	Very low	56.5	Low	173 Å²	173	114.3 Å²	114.3	80%	0.801	58%	0.584	S	S	*	*			trans	-84.4	91.7	166	-71.5	-31.9	0	0	0	109.4
198	S	45.1	Very low	54.6	Low	53 Å²	53	113.6 Å²	113.6	37%	0.371	59%	0.587	S	S	.	*			trans	-84.5	126.6	166.5	-166.6	0	0	0	0	109.5	Y196 D200	Y196-S198 VanDerWaalsContact CE1-CA 3.43Å; Y196-S198 VanDerWaalsContact CE1-CB 3.42Å; Y196-S198 PolarHBondContact O-N 3.16Å; S198-D200 PolarHBondContact O-N 3.01Å; S198-D200 PolarHBondContact OG-N 3.04Å; S198-D200 PolarHBondContact OG-O 3.32Å
199	S	35.2	Very low	52.6	Low	110 Å²	110	116.8 Å²	116.8	77%	0.769	61%	0.61	S	S	*	*	S	Bend	trans	-71.1	-14.7	165.6	52.8	0	0	0	0	112.7	K201	S199-K201 PolarHBondContact O-N 3.31Å
200	D	36.5	Very low	50.1	Low	115 Å²	115	114.7 Å²	114.7	62%	0.615	62%	0.616	S	S	*	*	S	Bend	trans	-89.9	94	175.5	-61.4	-32.8	0	0	0	109	S198	S198-D200 PolarHBondContact O-N 3.01Å; S198-D200 PolarHBondContact OG-N 3.04Å; S198-D200 PolarHBondContact OG-O 3.32Å
201	K	30.6	Very low	47.6	Very low	189 Å²	189	119.2 Å²	119.2	82%	0.822	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-64.9	127.4	169.7	-70.6	-175.8	-177.3	175.5	0	108.8	S199 N203	S199-K201 PolarHBondContact O-N 3.31Å; K201-N203 PolarHBondContact O-N 3.26Å
202	P	37.3	Very low	45.1	Very low	122 Å²	122	121.3 Å²	121.3	79%	0.792	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-68	121.7	172.2	25.2	-30	0	0	0	109.8	G204	P202-G204 PolarHBondContact O-N 3.32Å; P202-G204 VanDerWaalsContact O-N 3.16Å
203	N	34.1	Very low	42.8	Very low	167 Å²	167	126 Å²	126	89%	0.893	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.9	118.2	163.9	-95.4	-9.4	0	0	0	108	K201 K205	K201-N203 PolarHBondContact O-N 3.26Å; N203-K205 PolarHBondContact O-N 2.86Å
204	G	31.8	Very low	40.6	Very low	73 Å²	73	126.9 Å²	126.9	75%	0.753	69%	0.69	S	S	*	*			trans	-59.3	107.8	-169.7	0	0	0	0	0	113.2	P202	P202-G204 PolarHBondContact O-N 3.32Å; P202-G204 VanDerWaalsContact O-N 3.16Å
205	K	31.4	Very low	38.2	Very low	205 Å²	205	133.3 Å²	133.3	89%	0.891	71%	0.712	S	S	*	*			trans	-124.6	97.4	139.5	-72.1	-169.7	179.9	-177.7	0	106.6	N203 F207	N203-K205 PolarHBondContact O-N 2.86Å; K205-F207 PolarHBondContact O-N 3.34Å
206	K	35.7	Very low	36.4	Very low	208 Å²	208	130 Å²	130	90%	0.904	71%	0.711	S	S	*	*			trans	-67.1	116.2	167.3	-72.8	-178.1	176.8	178.5	0	106.5	N208	K206-N208 PolarHBondContact O-N 2.74Å
207	F	38.4	Very low	35.7	Very low	166 Å²	166	137.2 Å²	137.2	73%	0.728	75%	0.753	S	S	*	*			trans	-67.9	119.8	165.8	-179.5	-105.5	0	0	0	107.6	K205 P209	K205-F207 PolarHBondContact O-N 3.34Å; F207-P209 HydrophobicContact CE1-CB 4.21Å; F207-P209 WeakPolarHBondContact O-CD 3.22Å
208	N	31.8	Very low	35.2	Very low	118 Å²	118	135.4 Å²	135.4	63%	0.631	75%	0.751	S	S	*	*			trans	-95.7	111.2	173.9	-175.9	7.8	0	0	0	107.7	K206 G210	K206-N208 PolarHBondContact O-N 2.74Å; N208-G210 PolarHBondContact O-N 3.43Å; N208-G210 VanDerWaalsContact O-N 3.07Å; N208-G210 PolarHBondContact OD1-N 2.92Å
209	P	42.1	Very low	34.7	Very low	95 Å²	95	139.7 Å²	139.7	62%	0.617	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-69.1	-1.4	-178.9	25.5	-31.4	0	0	0	114	F207 S211	F207-P209 HydrophobicContact CE1-CB 4.21Å; F207-P209 WeakPolarHBondContact O-CD 3.22Å; P209-S211 PolarHBondContact O-N 3.47Å
210	G	33.7	Very low	34.7	Very low	68 Å²	68	141.4 Å²	141.4	70%	0.701	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-79	1.8	-173.4	0	0	0	0	0	118.4	N208	N208-G210 PolarHBondContact O-N 3.43Å; N208-G210 VanDerWaalsContact O-N 3.07Å; N208-G210 PolarHBondContact OD1-N 2.92Å
211	S	35.7	Very low	34.6	Very low	104 Å²	104	142.9 Å²	142.9	73%	0.727	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-128.3	2.6	-174	64.6	0	0	0	0	117.2	P209	P209-S211 PolarHBondContact O-N 3.47Å
212	S	35.5	Very low	34.9	Very low	87 Å²	87	140.1 Å²	140.1	61%	0.608	78%	0.777	S	S	*	*			trans	-102.1	94.7	171.1	-65.2	0	0	0	0	109.1	V214	S212-V214 PolarHBondContact O-N 2.84Å
213	K	32.9	Very low	34.7	Very low	165 Å²	165	141.3 Å²	141.3	72%	0.717	78%	0.776	S	S	*	*			trans	-57.7	96.9	152.7	-80.7	-178.5	176.2	-179.9	0	105.9	Y215	K213-Y215 VanDerWaalsContact C-N 3.27Å; K213-Y215 HydrophobicContact CB-CD2 4.31Å; K213-Y215 HydrophobicContact CB-CE2 3.91Å; K213-Y215 WeakPolarHBondContact O-CD2 3.48Å; K213-Y215 PolarHBondContact O-N 3.41Å
214	V	34.6	Very low	34.7	Very low	120 Å²	120	139.4 Å²	139.4	73%	0.727	77%	0.768	S	S	*	*			trans	-66.9	100.2	163.2	-179.9	0	0	0	0	104.2	S212 C216	S212-V214 PolarHBondContact O-N 2.84Å; V214-C216 VanDerWaalsContact C-N 3.31Å; V214-C216 PolarHBondContact O-N 3.06Å
215	Y	28.8	Very low	35	Very low	187 Å²	187	144.5 Å²	144.5	73%	0.733	77%	0.769	S	S	*	*			trans	-67.8	100.6	164.9	-67.6	-85.6	0	0	0	105.4	K213 I217	K213-Y215 VanDerWaalsContact C-N 3.27Å; K213-Y215 HydrophobicContact CB-CD2 4.31Å; K213-Y215 HydrophobicContact CB-CE2 3.91Å; K213-Y215 WeakPolarHBondContact O-CD2 3.48Å; K213-Y215 PolarHBondContact O-N 3.41Å; Y215-I217 PolarHBondContact O-N 3.4Å
216	C	31.1	Very low	35.3	Very low	114 Å²	114	139.5 Å²	139.5	77%	0.77	76%	0.759	S	S	*	*			trans	-60.7	123	155.5	-68.9	0	0	0	0	106	V214	V214-C216 VanDerWaalsContact C-N 3.31Å; V214-C216 PolarHBondContact O-N 3.06Å
217	I	42.8	Very low	35.2	Very low	242 Å²	242	133.3 Å²	133.3	100%	1.241	75%	0.746	S	S	*	*			trans	-50.2	0	176.5	-15.7	175.8	0	0	0	110.5	Y215	Y215-I217 PolarHBondContact O-N 3.4Å

Retrieved 217 of 217 residues in 251.9 ms (Link to these results)

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