A0A3B3TQ00_9TELE Loading...

Membrane-associated progesterone receptor component 1

AlphaFold DB , UniProt , Accession A0A3B3TQ00, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 181 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	36.8	Very low	49.1	Very low	243 Å²	243	135.7 Å²	135.7	100%	1.197	81%	0.812	S	S	*	*				0	124.7	0	-90.8	172.3	164	0	0	106.2
2	A	40.9	Very low	50.6	Low	108 Å²	108	128.7 Å²	128.7	89%	0.893	79%	0.788	S	S	*	*			trans	-65.7	130.3	-174.6	0	0	0	0	0	110.7
3	E	41.6	Very low	52.3	Low	192 Å²	192	121.1 Å²	121.1	90%	0.897	75%	0.751	S	S	*	*			trans	-75.7	128.9	168.8	-64.6	-167.6	130.2	0	0	108.6
4	A	47.9	Very low	53.3	Low	101 Å²	101	117.6 Å²	117.6	84%	0.835	73%	0.725	S	S	*	*			trans	-84.6	109.9	176.1	0	0	0	0	0	108.7	G6	A4-G6 PolarHBondContact O-N 3.28Å
5	E	45	Very low	54.3	Low	197 Å²	197	118 Å²	118	92%	0.921	71%	0.712	S	S	*	*			trans	-75.4	104.8	167.1	-69.5	-159.3	128	0	0	109.5
6	G	47.6	Very low	55.3	Low	72 Å²	72	118.8 Å²	118.8	74%	0.742	71%	0.706	S	S	*	*			trans	-86.4	110.9	163.1	0	0	0	0	0	109.3	A4 E8	A4-G6 PolarHBondContact O-N 3.28Å; G6-E8 PolarHBondContact O-N 2.82Å
7	S	49.1	Very low	56.2	Low	112 Å²	112	119.5 Å²	119.5	78%	0.783	70%	0.7	S	S	*	*			trans	-76.3	105.2	174.3	40.7	0	0	0	0	110.4	V9	S7-V9 PolarHBondContact O-N 2.83Å
8	E	56.1	Low	56.9	Low	182 Å²	182	115.6 Å²	115.6	85%	0.85	68%	0.675	S	S	*	*			trans	-78	98.1	169.3	-69.7	-169.1	139.9	0	0	109.6	G6 T10	G6-E8 PolarHBondContact O-N 2.82Å; E8-T10 PolarHBondContact O-N 3.01Å
9	V	55.2	Low	57.7	Low	107 Å²	107	116.3 Å²	116.3	65%	0.648	67%	0.669	S	S	*	*			trans	-73	99.1	173.3	-169.9	0	0	0	0	108.6	S7 I14	S7-V9 PolarHBondContact O-N 2.83Å; V9-I14 HydrophobicContact CG1-CD1 3.49Å; V9-I14 VanDerWaalsContact CG1-CD1 3.49Å; V9-I14 HydrophobicContact CG1-CG1 3.63Å
10	T	60.3	Low	58.7	Low	98 Å²	98	115.7 Å²	115.7	60%	0.601	67%	0.668	S	S	*	*			trans	-74.4	126.8	177.7	61.2	0	0	0	0	110.3	E8 G12 G13	E8-T10 PolarHBondContact O-N 3.01Å; T10-G12 PolarHBondContact O-N 2.63Å; T10-G13 PolarHBondContact O-N 2.75Å
11	S	59.2	Low	59.9	Low	81 Å²	81	112.1 Å²	112.1	57%	0.566	65%	0.65	S	S	*	*	H	α-helix	trans	-54.8	-29.5	-177	-58.7	0	0	0	0	113.3	I14 F15	S11-I14 PolarHBondContact O-N 2.96Å; S11-F15 WeakPolarHBondContact O-CD2 3.24Å; S11-F15 PolarHBondContact O-N 3.5Å
12	G	67.7	Low	62.1	Low	51 Å²	51	105.4 Å²	105.4	53%	0.526	62%	0.624	S	S	.	*	H	α-helix	trans	-64.1	-35.8	177.1	0	0	0	0	0	114.6	T10 Q16	T10-G12 PolarHBondContact O-N 2.63Å; G12-Q16 PolarHBondContact O-N 2.78Å
13	G	72.3	Confident	64.2	Low	30 Å²	30	105.6 Å²	105.6	31%	0.309	61%	0.61	S	S	.	*	H	α-helix	trans	-70.3	-39.9	177.4	0	0	0	0	0	112.3	T10 F15 Q16 E17	T10-G13 PolarHBondContact O-N 2.75Å; G13-F15 VanDerWaalsContact C-N 3.34Å; G13-F15 PolarHBondContact O-N 3.06Å; G13-Q16 PolarHBondContact O-N 3.08Å; G13-E17 WeakPolarHBondContact O-CG 3.48Å; G13-E17 PolarHBondContact O-N 3.46Å
14	I	66.8	Low	66.3	Low	73 Å²	73	98.8 Å²	98.8	37%	0.374	58%	0.58	S	S	.	*	H	α-helix	trans	-60.2	-44.9	177.5	-50.4	176.4	0	0	0	110.6	V9 S11 Q16 E17 I18	V9-I14 HydrophobicContact CG1-CD1 3.49Å; V9-I14 VanDerWaalsContact CG1-CD1 3.49Å; V9-I14 HydrophobicContact CG1-CG1 3.63Å; S11-I14 PolarHBondContact O-N 2.96Å; I14-Q16 VanDerWaalsContact C-N 3.34Å; I14-Q16 PolarHBondContact O-N 3.29Å; I14-E17 PolarHBondContact O-N 3.48Å; I14-I18 HydrophobicContact CG2-CD1 3.79Å; I14-I18 HydrophobicContact CG2-CG1 4.36Å; I14-I18 WeakPolarHBondContact O-CD1 3.4Å; I14-I18 WeakPolarHBondContact O-CG1 3.41Å; I14-I18 PolarHBondContact O-N 3.11Å
15	F	68	Low	68.2	Low	123 Å²	123	97.7 Å²	97.7	54%	0.539	56%	0.559	S	S	.	*	H	α-helix	trans	-62	-41.1	178.3	-72.2	-65.4	0	0	0	112	S11 G13 I18 F19	S11-F15 WeakPolarHBondContact O-CD2 3.24Å; S11-F15 PolarHBondContact O-N 3.5Å; G13-F15 VanDerWaalsContact C-N 3.34Å; G13-F15 PolarHBondContact O-N 3.06Å; F15-I18 PolarHBondContact O-N 3Å; F15-F19 WeakPolarHBondContact O-CD2 3.5Å; F15-F19 PolarHBondContact O-N 3.1Å
16	Q	70.4	Confident	70.4	Confident	131 Å²	131	92.5 Å²	92.5	61%	0.612	54%	0.541	S	S	*	.	H	α-helix	trans	-66.6	-41.7	177.4	-70.2	-67	-47.8	0	0	112.3	G12 G13 I14 I18 F19 T20	G12-Q16 PolarHBondContact O-N 2.78Å; G13-Q16 PolarHBondContact O-N 3.08Å; I14-Q16 VanDerWaalsContact C-N 3.34Å; I14-Q16 PolarHBondContact O-N 3.29Å; Q16-I18 VanDerWaalsContact C-N 3.33Å; Q16-I18 PolarHBondContact O-N 3.26Å; Q16-F19 PolarHBondContact O-N 2.82Å; Q16-T20 WeakPolarHBondContact O-CB 3.41Å; Q16-T20 PolarHBondContact O-N 3.02Å; Q16-T20 PolarHBondContact O-OG1 3.03Å
17	E	70.7	Confident	72.3	Confident	131 Å²	131	93.6 Å²	93.6	61%	0.612	53%	0.529	S	S	*	.	H	α-helix	trans	-66.1	-33.3	177.4	-73.5	-178.9	-178.9	0	0	113.1	G13 I14 F19 S21 N24	G13-E17 WeakPolarHBondContact O-CG 3.48Å; G13-E17 PolarHBondContact O-N 3.46Å; I14-E17 PolarHBondContact O-N 3.48Å; E17-F19 VanDerWaalsContact C-N 3.34Å; E17-S21 VanDerWaalsContact O-CB 3.31Å; E17-S21 WeakPolarHBondContact O-CB 3.47Å; E17-S21 PolarHBondContact O-N 3.33Å; E17-N24 PolarHBondContact O-ND2 2.92Å
18	I	69.6	Low	74.3	Confident	48 Å²	48	91.4 Å²	91.4	25%	0.246	51%	0.508	C	S	.	.	H	α-helix	trans	-62.9	-40.8	175.5	-72	165.4	0	0	0	111.3	I14 F15 Q16 N24 L28	I14-I18 HydrophobicContact CG2-CD1 3.79Å; I14-I18 HydrophobicContact CG2-CG1 4.36Å; I14-I18 WeakPolarHBondContact O-CD1 3.4Å; I14-I18 WeakPolarHBondContact O-CG1 3.41Å; I14-I18 PolarHBondContact O-N 3.11Å; F15-I18 PolarHBondContact O-N 3Å; Q16-I18 VanDerWaalsContact C-N 3.33Å; Q16-I18 PolarHBondContact O-N 3.26Å; I18-N24 WeakPolarHBondContact O-CB 3.39Å; I18-L28 HydrophobicContact CG2-CD2 4Å
19	F	71.4	Confident	75.8	Confident	129 Å²	129	86.4 Å²	86.4	57%	0.566	49%	0.494	S	S	*	.	H	α-helix	trans	-90.7	-18.5	-174.3	-67.2	-65.8	0	0	0	114.9	F15 Q16 E17 L25 L28	F15-F19 WeakPolarHBondContact O-CD2 3.5Å; F15-F19 PolarHBondContact O-N 3.1Å; Q16-F19 PolarHBondContact O-N 2.82Å; E17-F19 VanDerWaalsContact C-N 3.34Å; F19-L25 HydrophobicContact CD1-CD2 4.42Å; F19-L28 HydrophobicContact CE1-CD2 4.45Å
20	T	78.1	Confident	77.6	Confident	105 Å²	105	86 Å²	86	64%	0.644	49%	0.487	S	S	*	.	H	α-helix	trans	-102.4	-23.2	-173.8	-34	0	0	0	0	112.8	Q16 P22	Q16-T20 WeakPolarHBondContact O-CB 3.41Å; Q16-T20 PolarHBondContact O-N 3.02Å; Q16-T20 PolarHBondContact O-OG1 3.03Å; T20-P22 WeakPolarHBondContact O-CD 3.31Å
21	S	84.4	Confident	79.1	Confident	40 Å²	40	84.5 Å²	84.5	28%	0.28	48%	0.48	S	S	.	.			trans	-85.8	122.4	178.5	176.6	0	0	0	0	111.2	E17 L23 N24 L25	E17-S21 VanDerWaalsContact O-CB 3.31Å; E17-S21 WeakPolarHBondContact O-CB 3.47Å; E17-S21 PolarHBondContact O-N 3.33Å; S21-L23 PolarHBondContact O-N 3.46Å; S21-N24 PolarHBondContact O-N 3.39Å; S21-L25 PolarHBondContact O-N 2.82Å; S21-L25 VanDerWaalsContact O-N 3.08Å
22	P	82.4	Confident	80.7	Confident	102 Å²	102	85.6 Å²	85.6	66%	0.662	48%	0.479	S	S	*	.	H	α-helix	trans	-56.7	-32.7	176.6	-24.4	33.3	0	0	0	113.1	T20 T26	T20-P22 WeakPolarHBondContact O-CD 3.31Å; P22-T26 WeakPolarHBondContact O-CG2 3.49Å; P22-T26 PolarHBondContact O-N 3.47Å; P22-T26 VanDerWaalsContact O-N 3.16Å; P22-T26 PolarHBondContact O-OG1 2.91Å
23	L	85.1	Confident	81.7	Confident	112 Å²	112	88.9 Å²	88.9	59%	0.586	48%	0.479	S	S	*	.	H	α-helix	trans	-70.3	-39.2	177.7	-174.6	69.1	0	0	0	111.9	S21 T26 L27	S21-L23 PolarHBondContact O-N 3.46Å; L23-T26 PolarHBondContact O-N 3.45Å; L23-T26 PolarHBondContact O-OG1 2.51Å; L23-L27 HydrophobicContact CD1-CD1 4.22Å; L23-L27 HydrophobicContact CG-CD1 3.96Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 WeakPolarHBondContact O-CD1 3.18Å; L23-L27 PolarHBondContact O-N 3.49Å
24	N	84.1	Confident	82.6	Confident	50 Å²	50	91.5 Å²	91.5	27%	0.267	49%	0.486	S	S	.	.	H	α-helix	trans	-72.7	-33.3	179.6	-67.4	-16.7	0	0	0	111.4	E17 I18 S21 L27 L28	E17-N24 PolarHBondContact O-ND2 2.92Å; I18-N24 WeakPolarHBondContact O-CB 3.39Å; S21-N24 PolarHBondContact O-N 3.39Å; N24-L27 PolarHBondContact O-N 2.84Å; N24-L28 WeakPolarHBondContact O-CB 3.5Å; N24-L28 PolarHBondContact O-N 3.36Å
25	L	88.9	Confident	83.7	Confident	78 Å²	78	92.2 Å²	92.2	41%	0.408	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-40	172.7	-71.9	174.6	0	0	0	112.3	F19 S21 L28 S29	F19-L25 HydrophobicContact CD1-CD2 4.42Å; S21-L25 PolarHBondContact O-N 2.82Å; S21-L25 VanDerWaalsContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 2.77Å; L25-S29 VanDerWaalsContact O-CB 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.3Å; L25-S29 PolarHBondContact O-N 3.15Å
26	T	90.4	Very high	84.6	Confident	88 Å²	88	91.5 Å²	91.5	54%	0.54	48%	0.484	S	S	.	.	H	α-helix	trans	-67.9	-42	175.7	56.3	0	0	0	0	111.6	P22 L23 S29 L30	P22-T26 WeakPolarHBondContact O-CG2 3.49Å; P22-T26 PolarHBondContact O-N 3.47Å; P22-T26 VanDerWaalsContact O-N 3.16Å; P22-T26 PolarHBondContact O-OG1 2.91Å; L23-T26 PolarHBondContact O-N 3.45Å; L23-T26 PolarHBondContact O-OG1 2.51Å; T26-S29 PolarHBondContact O-N 2.89Å; T26-L30 WeakPolarHBondContact O-CB 3.49Å; T26-L30 PolarHBondContact O-N 3.15Å
27	L	88.3	Confident	85.1	Confident	94 Å²	94	89.6 Å²	89.6	49%	0.492	47%	0.474	S	S	.	.	H	α-helix	trans	-62.5	-43.8	172.9	-97.4	125	0	0	0	112.3	L23 N24 L30 C31	L23-L27 HydrophobicContact CD1-CD1 4.22Å; L23-L27 HydrophobicContact CG-CD1 3.96Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 WeakPolarHBondContact O-CD1 3.18Å; L23-L27 PolarHBondContact O-N 3.49Å; N24-L27 PolarHBondContact O-N 2.84Å; L27-L30 PolarHBondContact O-N 2.79Å; L27-C31 WeakPolarHBondContact O-CB 3.34Å; L27-C31 PolarHBondContact O-N 2.84Å
28	L	90.2	Very high	85.6	Confident	66 Å²	66	89.5 Å²	89.5	35%	0.346	48%	0.476	S	S	.	.	H	α-helix	trans	-63.6	-43.4	177.7	-176.7	66.8	0	0	0	110.9	I18 F19 N24 L25 L30 C31 L32	I18-L28 HydrophobicContact CG2-CD2 4Å; F19-L28 HydrophobicContact CE1-CD2 4.45Å; N24-L28 WeakPolarHBondContact O-CB 3.5Å; N24-L28 PolarHBondContact O-N 3.36Å; L25-L28 PolarHBondContact O-N 2.77Å; L28-L30 PolarHBondContact O-N 2.91Å; L28-C31 PolarHBondContact O-N 3.03Å; L28-L32 HydrophobicContact CG-CD1 4.22Å; L28-L32 WeakPolarHBondContact O-CB 3.17Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.25Å; L28-L32 PolarHBondContact O-N 3.47Å
29	S	89.2	Confident	86.2	Confident	78 Å²	78	95.7 Å²	95.7	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-41.7	174.6	-176.5	0	0	0	0	111.9	L25 T26 F33	L25-S29 VanDerWaalsContact O-CB 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.3Å; L25-S29 PolarHBondContact O-N 3.15Å; T26-S29 PolarHBondContact O-N 2.89Å; S29-F33 VanDerWaalsContact O-CB 3.27Å; S29-F33 WeakPolarHBondContact O-CB 3.41Å; S29-F33 PolarHBondContact O-N 3.42Å
30	L	92.7	Very high	86.3	Confident	98 Å²	98	98 Å²	98	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-44.6	176.7	-175.4	68.9	0	0	0	111	T26 L27 L28 F33 L34	T26-L30 WeakPolarHBondContact O-CB 3.49Å; T26-L30 PolarHBondContact O-N 3.15Å; L27-L30 PolarHBondContact O-N 2.79Å; L28-L30 PolarHBondContact O-N 2.91Å; L30-F33 PolarHBondContact O-N 2.86Å; L30-L34 HydrophobicContact CG-CD1 4.19Å; L30-L34 HydrophobicContact CG-CG 4.49Å; L30-L34 WeakPolarHBondContact O-CB 3.5Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.11Å; L30-L34 PolarHBondContact O-N 3.36Å
31	C	91.2	Very high	85.2	Confident	67 Å²	67	95 Å²	95	45%	0.453	50%	0.497	S	S	.	.	H	α-helix	trans	-59.6	-47	175.1	-84.3	0	0	0	0	111.7	L27 L28 F33 L34 L35	L27-C31 WeakPolarHBondContact O-CB 3.34Å; L27-C31 PolarHBondContact O-N 2.84Å; L28-C31 PolarHBondContact O-N 3.03Å; C31-F33 VanDerWaalsContact C-N 3.33Å; C31-F33 PolarHBondContact O-N 3.32Å; C31-L34 PolarHBondContact O-N 3.23Å; C31-L35 VanDerWaalsContact O-CB 3.31Å; C31-L35 WeakPolarHBondContact O-CB 3.29Å; C31-L35 VanDerWaalsContact O-CG 3.22Å; C31-L35 WeakPolarHBondContact O-CG 3.39Å; C31-L35 PolarHBondContact O-N 3.13Å
32	L	93	Very high	84.3	Confident	103 Å²	103	98.7 Å²	98.7	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-37.7	176.6	-71.2	173.6	0	0	0	111.8	L28 Y36	L28-L32 HydrophobicContact CG-CD1 4.22Å; L28-L32 WeakPolarHBondContact O-CB 3.17Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.25Å; L28-L32 PolarHBondContact O-N 3.47Å; L32-Y36 WeakPolarHBondContact O-CB 3.37Å; L32-Y36 PolarHBondContact O-N 3.27Å
33	F	89.6	Confident	83.4	Confident	120 Å²	120	104.7 Å²	104.7	53%	0.526	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-43.3	174.9	175.8	-98.3	0	0	0	112.4	S29 L30 C31 Y36 K37	S29-F33 VanDerWaalsContact O-CB 3.27Å; S29-F33 WeakPolarHBondContact O-CB 3.41Å; S29-F33 PolarHBondContact O-N 3.42Å; L30-F33 PolarHBondContact O-N 2.86Å; C31-F33 VanDerWaalsContact C-N 3.33Å; C31-F33 PolarHBondContact O-N 3.32Å; F33-Y36 PolarHBondContact O-N 2.98Å; F33-K37 WeakPolarHBondContact O-CB 3.37Å; F33-K37 PolarHBondContact O-N 3.27Å
34	L	89.5	Confident	82.2	Confident	86 Å²	86	104.2 Å²	104.2	45%	0.45	53%	0.526	S	S	.	.	H	α-helix	trans	-67	-44	176.3	-68.9	175.5	0	0	0	111.3	L30 C31 Y36 K37 I38	L30-L34 HydrophobicContact CG-CD1 4.19Å; L30-L34 HydrophobicContact CG-CG 4.49Å; L30-L34 WeakPolarHBondContact O-CB 3.5Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.11Å; L30-L34 PolarHBondContact O-N 3.36Å; C31-L34 PolarHBondContact O-N 3.23Å; L34-Y36 VanDerWaalsContact C-N 3.32Å; L34-Y36 PolarHBondContact O-N 3.05Å; L34-K37 PolarHBondContact O-N 2.93Å; L34-I38 WeakPolarHBondContact O-CD1 3.48Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.37Å; L34-I38 PolarHBondContact O-N 3.4Å
35	L	89.5	Confident	81	Confident	87 Å²	87	107 Å²	107	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-60.1	-43.9	172.9	-73.8	173.1	0	0	0	110.9	C31 K37 I38 F39	C31-L35 VanDerWaalsContact O-CB 3.31Å; C31-L35 WeakPolarHBondContact O-CB 3.29Å; C31-L35 VanDerWaalsContact O-CG 3.22Å; C31-L35 WeakPolarHBondContact O-CG 3.39Å; C31-L35 PolarHBondContact O-N 3.13Å; L35-K37 VanDerWaalsContact C-N 3.34Å; L35-K37 PolarHBondContact O-N 2.56Å; L35-I38 PolarHBondContact O-N 3.06Å; L35-F39 WeakPolarHBondContact O-CB 3.26Å; L35-F39 VanDerWaalsContact O-CD2 3.28Å; L35-F39 WeakPolarHBondContact O-CD2 3Å; L35-F39 PolarHBondContact O-N 2.76Å
36	Y	87.9	Confident	79.4	Confident	108 Å²	108	111 Å²	111	42%	0.424	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-39	175.1	169.3	-89.8	0	0	0	112.3	L32 F33 L34 I38 F39 R40	L32-Y36 WeakPolarHBondContact O-CB 3.37Å; L32-Y36 PolarHBondContact O-N 3.27Å; F33-Y36 PolarHBondContact O-N 2.98Å; L34-Y36 VanDerWaalsContact C-N 3.32Å; L34-Y36 PolarHBondContact O-N 3.05Å; Y36-I38 VanDerWaalsContact C-N 3.31Å; Y36-F39 PolarHBondContact O-N 3.39Å; Y36-R40 HydrophobicContact CD1-CG 4.3Å; Y36-R40 HydrophobicContact CD2-CG 3.95Å; Y36-R40 HydrophobicContact CE1-CG 4.22Å; Y36-R40 VanDerWaalsContact CE2-CD 3.48Å; Y36-R40 HydrophobicContact CE2-CG 3.92Å; Y36-R40 HydrophobicContact CG-CG 4.22Å; Y36-R40 WeakPolarHBondContact O-CB 3.26Å; Y36-R40 WeakPolarHBondContact O-CG 3.46Å; Y36-R40 PolarHBondContact O-N 3.19Å; Y36-R40 PolarHBondContact OH-NE 3.24Å; Y36-R40 PolarHBondContact OH-NH1 2.91Å; Y36-R40 PolarHBondContact OH-NH2 2.73Å
37	K	80.5	Confident	77.8	Confident	92 Å²	92	113.3 Å²	113.3	40%	0.4	58%	0.577	S	S	.	*	H	α-helix	trans	-65.6	-36.6	174.6	-176.8	177.8	151.9	62.8	0	111.1	F33 L34 L35 D42	F33-K37 WeakPolarHBondContact O-CB 3.37Å; F33-K37 PolarHBondContact O-N 3.27Å; L34-K37 PolarHBondContact O-N 2.93Å; L35-K37 VanDerWaalsContact C-N 3.34Å; L35-K37 PolarHBondContact O-N 2.56Å; K37-D42 VanDerWaalsContact NZ-CG 3.32Å; K37-D42 IonicContact NZ-OD1 2.75Å; K37-D42 PolarHBondContact NZ-OD1 2.79Å; K37-D42 IonicContact NZ-OD2 3.04Å; K37-D42 PolarHBondContact NZ-OD2 3.3Å
38	I	81.5	Confident	76.4	Confident	129 Å²	129	111.2 Å²	111.2	66%	0.662	58%	0.579	S	S	*	*	H	α-helix	trans	-68.7	-46.2	174.7	-68.7	163	0	0	0	111	L34 L35 Y36 G41	L34-I38 WeakPolarHBondContact O-CD1 3.48Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.37Å; L34-I38 PolarHBondContact O-N 3.4Å; L35-I38 PolarHBondContact O-N 3.06Å; Y36-I38 VanDerWaalsContact C-N 3.31Å; I38-G41 PolarHBondContact O-N 3.46Å
39	F	81.6	Confident	74.8	Confident	177 Å²	177	117 Å²	117	78%	0.776	60%	0.604	S	S	*	*	H	α-helix	trans	-77.4	-31.9	-177.3	-88.8	-75.3	0	0	0	114.1	L35 Y36 G41	L35-F39 WeakPolarHBondContact O-CB 3.26Å; L35-F39 VanDerWaalsContact O-CD2 3.28Å; L35-F39 WeakPolarHBondContact O-CD2 3Å; L35-F39 PolarHBondContact O-N 2.76Å; Y36-F39 PolarHBondContact O-N 3.39Å; F39-G41 PolarHBondContact O-N 2.87Å
40	R	73.9	Confident	73.4	Confident	178 Å²	178	119.4 Å²	119.4	67%	0.672	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-10.6	175.5	-81	-152	168.7	175.6	8.5	113.1	Y36	Y36-R40 HydrophobicContact CD1-CG 4.3Å; Y36-R40 HydrophobicContact CD2-CG 3.95Å; Y36-R40 HydrophobicContact CE1-CG 4.22Å; Y36-R40 VanDerWaalsContact CE2-CD 3.48Å; Y36-R40 HydrophobicContact CE2-CG 3.92Å; Y36-R40 HydrophobicContact CG-CG 4.22Å; Y36-R40 WeakPolarHBondContact O-CB 3.26Å; Y36-R40 WeakPolarHBondContact O-CG 3.46Å; Y36-R40 PolarHBondContact O-N 3.19Å; Y36-R40 PolarHBondContact OH-NE 3.24Å; Y36-R40 PolarHBondContact OH-NH1 2.91Å; Y36-R40 PolarHBondContact OH-NH2 2.73Å
41	G	56.1	Low	72.1	Confident	42 Å²	42	120.8 Å²	120.8	43%	0.433	62%	0.619	S	S	.	*			trans	63.4	119.8	-174.6	0	0	0	0	0	108.9	I38 F39 R43	I38-G41 PolarHBondContact O-N 3.46Å; F39-G41 PolarHBondContact O-N 2.87Å; G41-R43 PolarHBondContact O-N 2.99Å
42	D	65.5	Low	71.2	Confident	117 Å²	117	126.6 Å²	126.6	63%	0.626	64%	0.636	S	S	*	*			trans	-50.9	119.8	150.7	-74.3	-37.7	0	0	0	105.2	K37 P44	K37-D42 VanDerWaalsContact NZ-CG 3.32Å; K37-D42 IonicContact NZ-OD1 2.75Å; K37-D42 PolarHBondContact NZ-OD1 2.79Å; K37-D42 IonicContact NZ-OD2 3.04Å; K37-D42 PolarHBondContact NZ-OD2 3.3Å; D42-P44 VanDerWaalsContact O-N 3.15Å
43	R	62.3	Low	70.5	Confident	229 Å²	229	127.6 Å²	127.6	86%	0.864	65%	0.649	S	S	*	*			trans	-42.2	130.2	179.2	-72.9	175.7	178.2	161.1	-1.7	106.2	G41	G41-R43 PolarHBondContact O-N 2.99Å
44	P	59.6	Low	70.2	Confident	102 Å²	102	125.3 Å²	125.3	66%	0.662	64%	0.642	S	S	*	*			trans	-48.8	126.1	172.6	21.3	-30.6	0	0	0	105.5	D42 D46	D42-P44 VanDerWaalsContact O-N 3.15Å; P44-D46 PolarHBondContact O-N 3.3Å
45	P	59	Low	70.2	Confident	107 Å²	107	125.6 Å²	125.6	70%	0.695	65%	0.649	S	S	*	*			trans	-48.4	135.1	178.5	19.9	-30.7	0	0	0	106.3	L47	P45-L47 VanDerWaalsContact C-N 3.26Å; P45-L47 WeakPolarHBondContact O-CG 3.46Å; P45-L47 PolarHBondContact O-N 2.77Å
46	D	55	Low	70.2	Confident	162 Å²	162	129.2 Å²	129.2	87%	0.866	66%	0.661	S	S	*	*			trans	-46.6	97.2	-179.7	-173.6	16.9	0	0	0	108	P44 G48	P44-D46 PolarHBondContact O-N 3.3Å; D46-G48 PolarHBondContact O-N 3.45Å
47	L	58.6	Low	70.3	Confident	137 Å²	137	125.5 Å²	125.5	72%	0.717	65%	0.648	S	S	*	*			trans	-78.2	80.1	-179.7	-82.3	151.5	0	0	0	101.9	P45 E49	P45-L47 VanDerWaalsContact C-N 3.26Å; P45-L47 WeakPolarHBondContact O-CG 3.46Å; P45-L47 PolarHBondContact O-N 2.77Å; L47-E49 PolarHBondContact O-N 3.49Å
48	G	57.3	Low	70.9	Confident	51 Å²	51	128.3 Å²	128.3	53%	0.526	66%	0.66	S	S	.	*			trans	-40.7	139	174.4	0	0	0	0	0	108.6	D46 V50	D46-G48 PolarHBondContact O-N 3.45Å; G48-V50 PolarHBondContact O-N 3.26Å; G48-V50 VanDerWaalsContact O-N 3.15Å
49	E	57.3	Low	71.5	Confident	187 Å²	187	124.2 Å²	124.2	87%	0.874	64%	0.637	S	S	*	*			trans	-27.5	117.6	-171.9	-65.5	-176.1	164.6	0	0	111.5	L47 E51	L47-E49 PolarHBondContact O-N 3.49Å; E49-E51 PolarHBondContact O-N 3.41Å
50	V	60	Low	72.1	Confident	129 Å²	129	119.5 Å²	119.5	78%	0.782	62%	0.616	S	S	*	*			trans	-60.9	93.5	179.7	-179.3	0	0	0	0	107.3	G48 K52	G48-V50 PolarHBondContact O-N 3.26Å; G48-V50 VanDerWaalsContact O-N 3.15Å; V50-K52 PolarHBondContact O-N 3.21Å; V50-K52 VanDerWaalsContact O-N 3.17Å
51	E	65.1	Low	73.1	Confident	127 Å²	127	111.7 Å²	111.7	59%	0.593	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-54.6	123.9	176.6	-77.5	179.8	-176.7	0	0	106.9	E49 K93	E49-E51 PolarHBondContact O-N 3.41Å; E51-K93 IonicContact OE1-NZ 2.73Å; E51-K93 PolarHBondContact OE1-NZ 3.46Å; E51-K93 IonicContact OE2-NZ 3.64Å; E51-K93 PolarHBondContact OE2-NZ 2.71Å
52	K	71.8	Confident	75.1	Confident	189 Å²	189	109.7 Å²	109.7	82%	0.822	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-54.9	132.3	179.5	-72	178.6	-179.2	173.6	0	108.4	V50 L54	V50-K52 PolarHBondContact O-N 3.21Å; V50-K52 VanDerWaalsContact O-N 3.17Å; K52-L54 PolarHBondContact O-N 2.73Å
53	P	78	Confident	76.5	Confident	124 Å²	124	106.7 Å²	106.7	81%	0.805	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-60.3	130.2	-177.5	24.1	-32.6	0	0	0	109.6
54	L	84.9	Confident	78.1	Confident	72 Å²	72	97.3 Å²	97.3	38%	0.377	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-64.1	148.2	178.4	-64.4	178.7	0	0	0	110.2	K52 P76 R77 T90	K52-L54 PolarHBondContact O-N 2.73Å; L54-P76 HydrophobicContact CD1-CB 4.19Å; L54-P76 HydrophobicContact CD1-CG 4.2Å; L54-R77 HydrophobicContact CD1-CB 4.32Å; L54-R77 HydrophobicContact CD1-CG 3.37Å; L54-T90 HydrophobicContact CD1-CG2 4.02Å
55	P	89.1	Confident	79.8	Confident	92 Å²	92	96.1 Å²	96.1	60%	0.597	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-63.3	142.4	174.3	26.1	-32.3	0	0	0	110.1	M57 R77	P55-M57 PolarHBondContact O-N 2.84Å; P55-R77 PolarHBondContact O-NH1 3.36Å; P55-R77 PolarHBondContact O-NH2 3.43Å; P55-R77 VanDerWaalsContact O-NH2 3.1Å
56	K	89.5	Confident	81.5	Confident	162 Å²	162	95.6 Å²	95.6	70%	0.704	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-50.4	134.9	178.1	-71.4	-159.3	173	-143	0	110.7	D154	K56-D154 IonicContact NZ-OD1 3.58Å; K56-D154 PolarHBondContact NZ-OD1 3.06Å; K56-D154 IonicContact NZ-OD2 2.77Å
57	M	90.3	Very high	83.5	Confident	30 Å²	30	87.9 Å²	87.9	15%	0.148	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-75.4	142.3	177.9	-162.7	167.1	-177.1	0	0	110.1	P55 K60 F62 Y70 L79 I156	P55-M57 PolarHBondContact O-N 2.84Å; M57-K60 HydrophobicContact CE-CD 4.46Å; M57-F62 HydrophobicContact CE-CE1 4.03Å; M57-F62 HydrophobicContact CE-CZ 3.6Å; M57-F62 HydrophobicContact SD-CZ 4.2Å; M57-Y70 HydrophobicContact CE-CE1 4.2Å; M57-L79 HydrophobicContact CE-CD1 4.24Å; M57-L79 HydrophobicContact SD-CD1 3.91Å; M57-L79 HydrophobicContact SD-CD2 4.12Å; M57-I156 HydrophobicContact CB-CD1 4.03Å; M57-I156 HydrophobicContact CB-CG2 4.4Å; M57-I156 HydrophobicContact CG-CG2 4.15Å; M57-I156 HydrophobicContact SD-CG2 4.04Å
58	K	91.6	Very high	85.3	Confident	152 Å²	152	87.5 Å²	87.5	66%	0.661	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-68.1	144.7	169.7	-66.3	-168.8	174	-161	0	110.3	K60 I156	K58-K60 PolarHBondContact O-N 2.73Å; K58-I156 WeakPolarHBondContact O-CG2 3.49Å
59	K	94.1	Very high	87.2	Confident	42 Å²	42	87.4 Å²	87.4	18%	0.183	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-65.3	131.5	176.8	-67.3	-179.7	-179	173.7	0	110.5	I156 Y169 D173 D177	K59-I156 CarbonylContact C-O 3.58Å; K59-I156 WeakPolarHBondContact CA-O 3.36Å; K59-I156 VanDerWaalsContact CB-O 3.26Å; K59-I156 WeakPolarHBondContact CB-O 3.17Å; K59-Y169 HydrophobicContact CB-CD1 3.77Å; K59-Y169 HydrophobicContact CB-CD2 4.31Å; K59-Y169 HydrophobicContact CB-CE1 4.25Å; K59-Y169 HydrophobicContact CB-CG 3.79Å; K59-Y169 HydrophobicContact CD-CD1 4.36Å; K59-D173 PolarHBondContact NZ-O 2.97Å; K59-D177 IonicContact NZ-OD2 3.03Å; K59-D177 PolarHBondContact NZ-OD2 2.7Å
60	K	94.5	Very high	89.1	Confident	78 Å²	78	80.3 Å²	80.3	34%	0.339	41%	0.414	S	S	.	.			trans	-160.3	155.5	174.7	72.9	175.1	-167.4	173.2	0	110.4	M57 K58 F62 I156 G157	M57-K60 HydrophobicContact CE-CD 4.46Å; K58-K60 PolarHBondContact O-N 2.73Å; K60-F62 HydrophobicContact CD-CE1 4.31Å; K60-F62 HydrophobicContact CD-CE2 4.44Å; K60-F62 HydrophobicContact CD-CZ 4.04Å; K60-F62 HydrophobicContact CG-CD2 4.24Å; K60-F62 HydrophobicContact CG-CE1 4.3Å; K60-F62 HydrophobicContact CG-CE2 3.59Å; K60-F62 HydrophobicContact CG-CZ 3.63Å; K60-F62 VanDerWaalsContact O-CD2 3.25Å; K60-F62 WeakPolarHBondContact O-CD2 3.42Å; K60-F62 WeakPolarHBondContact O-CE2 3.31Å; K60-I156 PolarHBondContact N-O 2.81Å; K60-G157 WeakPolarHBondContact O-CA 3.43Å
61	D	96.4	Very high	90.8	Very high	15 Å²	15	75.8 Å²	75.8	8%	0.08	39%	0.386	C	S	.	.			trans	-82.6	157.2	171.4	-66.4	-20.7	0	0	0	111.4	K158 L160 P166 S167 Y169	D61-K158 WeakPolarHBondContact CA-O 3.39Å; D61-K158 WeakPolarHBondContact OD1-CB 3.42Å; D61-K158 PolarHBondContact OD1-N 2.88Å; D61-L160 HydrophobicContact CB-CD1 4.04Å; D61-L160 HydrophobicContact CB-CD2 3.81Å; D61-L160 HydrophobicContact CB-CG 3.86Å; D61-P166 HydrophobicContact CB-CB 4.45Å; D61-S167 PolarHBondContact OD1-OG 3.25Å; D61-S167 WeakPolarHBondContact OD2-CB 3.39Å; D61-S167 PolarHBondContact OD2-N 2.85Å; D61-S167 PolarHBondContact OD2-OG 2.84Å; D61-Y169 VanDerWaalsContact OD1-CE2 3.29Å; D61-Y169 WeakPolarHBondContact OD1-CE2 3.04Å; D61-Y169 VanDerWaalsContact OD1-CZ 3.29Å; D61-Y169 PolarHBondContact OD1-OH 3.35Å
62	F	96.3	Very high	92.2	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-132.9	138.3	-178	-63.1	-103.3	0	0	0	110.6	M57 K60 E66 L67 Y70 L79 V86 I156 K158 L159 L160	M57-F62 HydrophobicContact CE-CE1 4.03Å; M57-F62 HydrophobicContact CE-CZ 3.6Å; M57-F62 HydrophobicContact SD-CZ 4.2Å; K60-F62 HydrophobicContact CD-CE1 4.31Å; K60-F62 HydrophobicContact CD-CE2 4.44Å; K60-F62 HydrophobicContact CD-CZ 4.04Å; K60-F62 HydrophobicContact CG-CD2 4.24Å; K60-F62 HydrophobicContact CG-CE1 4.3Å; K60-F62 HydrophobicContact CG-CE2 3.59Å; K60-F62 HydrophobicContact CG-CZ 3.63Å; K60-F62 VanDerWaalsContact O-CD2 3.25Å; K60-F62 WeakPolarHBondContact O-CD2 3.42Å; K60-F62 WeakPolarHBondContact O-CE2 3.31Å; F62-E66 HydrophobicContact CD1-CB 4.29Å; F62-L67 HydrophobicContact CB-CB 4.39Å; F62-L67 HydrophobicContact CD1-CD1 4.32Å; F62-L67 HydrophobicContact CG-CD1 4.34Å; F62-Y70 HydrophobicContact CD1-CE2 4.33Å; F62-Y70 HydrophobicContact CE1-CD2 4.22Å; F62-Y70 AromaticContact CE1-CE2 3.73Å; F62-Y70 HydrophobicContact CE1-CE2 3.73Å; F62-L79 HydrophobicContact CD1-CD1 4.33Å; F62-L79 HydrophobicContact CE1-CD1 3.44Å; F62-L79 VanDerWaalsContact CE1-CD1 3.44Å; F62-L79 HydrophobicContact CE2-CD1 4.18Å; F62-L79 HydrophobicContact CZ-CD1 3.35Å; F62-V86 HydrophobicContact CB-CG2 4.33Å; F62-V86 HydrophobicContact CD2-CB 4.09Å; F62-V86 HydrophobicContact CD2-CG1 3.85Å; F62-V86 HydrophobicContact CD2-CG2 3.95Å; F62-V86 HydrophobicContact CE2-CB 4.4Å; F62-V86 HydrophobicContact CE2-CG1 3.88Å; F62-V86 HydrophobicContact CG-CG2 4.46Å; F62-I156 HydrophobicContact CE2-CB 4.39Å; F62-I156 HydrophobicContact CE2-CG2 3.73Å; F62-I156 HydrophobicContact CZ-CG2 4.05Å; F62-K158 PolarHBondContact N-O 3.17Å; F62-L159 CarbonylContact O-C 3.58Å; F62-L159 WeakPolarHBondContact O-CA 3.46Å; F62-L160 PolarHBondContact O-N 3.44Å
63	T	96.4	Very high	93.3	Very high	53 Å²	53	66.1 Å²	66.1	33%	0.325	35%	0.353	S	S	.	.			trans	-78.1	161.7	154.2	63	0	0	0	0	110.2	A65 E66 L67 L160	T63-A65 PolarHBondContact O-N 3.24Å; T63-E66 WeakPolarHBondContact CB-OE2 3.32Å; T63-E66 WeakPolarHBondContact CG2-OE2 3.47Å; T63-E66 PolarHBondContact N-OE2 3.38Å; T63-E66 PolarHBondContact O-N 2.95Å; T63-E66 VanDerWaalsContact O-N 3.11Å; T63-E66 VanDerWaalsContact OG1-CD 3.3Å; T63-E66 VanDerWaalsContact OG1-CG 3.24Å; T63-E66 WeakPolarHBondContact OG1-CG 3.38Å; T63-E66 PolarHBondContact OG1-N 2.95Å; T63-E66 PolarHBondContact OG1-OE2 3.07Å; T63-L67 PolarHBondContact O-N 2.78Å; T63-L160 HydrophobicContact CG2-CD1 4.28Å
64	L	94.9	Very high	94.1	Very high	33 Å²	33	66.4 Å²	66.4	17%	0.173	34%	0.344	C	S	.	.	H	α-helix	trans	-57	-36.8	174	-77.5	170.3	0	0	0	112.9	E66 L67 K68 D109 E127 H128 L159	L64-E66 VanDerWaalsContact C-N 3.33Å; L64-L67 PolarHBondContact O-N 2.92Å; L64-K68 PolarHBondContact O-N 3.4Å; L64-K68 VanDerWaalsContact O-N 3.08Å; L64-D109 HydrophobicContact CD2-CB 4.05Å; L64-E127 WeakPolarHBondContact CD1-O 3.49Å; L64-H128 HydrophobicContact CD1-CB 4.39Å; L64-L159 HydrophobicContact CD2-CD1 3.91Å; L64-L159 HydrophobicContact CD2-CD2 3.94Å; L64-L159 HydrophobicContact CD2-CG 4.5Å; L64-L159 HydrophobicContact CG-CD1 4.08Å; L64-L159 HydrophobicContact CG-CD2 4.41Å
65	A	94.8	Very high	94.6	Very high	77 Å²	77	65 Å²	65	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-65.9	-37.4	178.2	0	0	0	0	0	112	T63 P69	T63-A65 PolarHBondContact O-N 3.24Å; A65-P69 WeakPolarHBondContact O-CD 3.49Å
66	E	95.6	Very high	94.8	Very high	95 Å²	95	64.1 Å²	64.1	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-76.8	-26.5	176.1	-69.4	166.4	137.7	0	0	112.9	F62 T63 L64 P69 Y70	F62-E66 HydrophobicContact CD1-CB 4.29Å; T63-E66 WeakPolarHBondContact CB-OE2 3.32Å; T63-E66 WeakPolarHBondContact CG2-OE2 3.47Å; T63-E66 PolarHBondContact N-OE2 3.38Å; T63-E66 PolarHBondContact O-N 2.95Å; T63-E66 VanDerWaalsContact O-N 3.11Å; T63-E66 VanDerWaalsContact OG1-CD 3.3Å; T63-E66 VanDerWaalsContact OG1-CG 3.24Å; T63-E66 WeakPolarHBondContact OG1-CG 3.38Å; T63-E66 PolarHBondContact OG1-N 2.95Å; T63-E66 PolarHBondContact OG1-OE2 3.07Å; L64-E66 VanDerWaalsContact C-N 3.33Å; E66-P69 VanDerWaalsContact O-CD 3.3Å; E66-P69 WeakPolarHBondContact O-CD 3.03Å; E66-Y70 WeakPolarHBondContact O-CD2 3.46Å; E66-Y70 WeakPolarHBondContact O-CE2 3.32Å
67	L	96.6	Very high	95.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-74.5	-34.9	176.7	-169.7	68.8	0	0	0	111.9	F62 T63 L64 Y70 L79 A81 V86 G107 L159	F62-L67 HydrophobicContact CB-CB 4.39Å; F62-L67 HydrophobicContact CD1-CD1 4.32Å; F62-L67 HydrophobicContact CG-CD1 4.34Å; T63-L67 PolarHBondContact O-N 2.78Å; L64-L67 PolarHBondContact O-N 2.92Å; L67-Y70 WeakPolarHBondContact O-CD2 3.11Å; L67-Y70 PolarHBondContact O-N 3.5Å; L67-L79 HydrophobicContact CD1-CB 3.48Å; L67-L79 VanDerWaalsContact CD1-CB 3.48Å; L67-L79 HydrophobicContact CD1-CD1 4.09Å; L67-L79 HydrophobicContact CD1-CG 4.46Å; L67-A81 HydrophobicContact CD2-CB 3.91Å; L67-V86 HydrophobicContact CD1-CG1 3.65Å; L67-V86 HydrophobicContact CD1-CG2 4.35Å; L67-G107 CarbonylContact C-O 3.25Å; L67-G107 WeakPolarHBondContact O-CA 3.34Å; L67-L159 HydrophobicContact CD2-CD1 4.16Å
68	K	96.2	Very high	95.5	Very high	130 Å²	130	57 Å²	57	57%	0.565	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-39.1	-173.9	-171.8	178.3	179.3	-177.4	0	116.5	L64 Y70 G107	L64-K68 PolarHBondContact O-N 3.4Å; L64-K68 VanDerWaalsContact O-N 3.08Å; K68-Y70 PolarHBondContact O-N 2.9Å; K68-G107 VanDerWaalsContact CA-O 3.31Å; K68-G107 WeakPolarHBondContact CA-O 3.24Å; K68-G107 PolarHBondContact N-O 3.1Å
69	P	97.3	Very high	95.8	Very high	49 Å²	49	49.8 Å²	49.8	32%	0.318	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.3	179.8	-20	34.3	0	0	0	113.9	A65 E66 D71 Q74 D75	A65-P69 WeakPolarHBondContact O-CD 3.49Å; E66-P69 VanDerWaalsContact O-CD 3.3Å; E66-P69 WeakPolarHBondContact O-CD 3.03Å; P69-D71 PolarHBondContact O-N 2.77Å; P69-Q74 WeakPolarHBondContact O-CB 3.35Å; P69-D75 WeakPolarHBondContact O-CB 3.41Å; P69-D75 PolarHBondContact O-N 3.23Å; P69-D75 VanDerWaalsContact O-N 3.15Å
70	Y	97.2	Very high	96	Very high	38 Å²	38	47.8 Å²	47.8	15%	0.149	26%	0.258	C	S	.	.			trans	-88.2	58.7	-178	-58.2	-80	0	0	0	111.6	M57 F62 E66 L67 K68 D75 R77 I78 L79 G107	M57-Y70 HydrophobicContact CE-CE1 4.2Å; F62-Y70 HydrophobicContact CD1-CE2 4.33Å; F62-Y70 HydrophobicContact CE1-CD2 4.22Å; F62-Y70 AromaticContact CE1-CE2 3.73Å; F62-Y70 HydrophobicContact CE1-CE2 3.73Å; E66-Y70 WeakPolarHBondContact O-CD2 3.46Å; E66-Y70 WeakPolarHBondContact O-CE2 3.32Å; L67-Y70 WeakPolarHBondContact O-CD2 3.11Å; L67-Y70 PolarHBondContact O-N 3.5Å; K68-Y70 PolarHBondContact O-N 2.9Å; Y70-D75 HydrophobicContact CD1-CB 3.93Å; Y70-D75 HydrophobicContact CE1-CB 4.43Å; Y70-R77 CarbonylContact C-O 3.6Å; Y70-R77 VanDerWaalsContact C-O 3.29Å; Y70-R77 WeakPolarHBondContact CA-O 3.24Å; Y70-R77 HydrophobicContact CD1-CB 4.05Å; Y70-I78 WeakPolarHBondContact O-CA 3.42Å; Y70-L79 HydrophobicContact CD1-CD1 4.04Å; Y70-L79 HydrophobicContact CD1-CG 4.15Å; Y70-L79 HydrophobicContact CD2-CD1 3.6Å; Y70-L79 HydrophobicContact CD2-CG 4.22Å; Y70-L79 HydrophobicContact CE1-CD1 4.42Å; Y70-L79 HydrophobicContact CE2-CD1 4.06Å; Y70-L79 HydrophobicContact CG-CB 4.29Å; Y70-L79 HydrophobicContact CG-CD1 3.59Å; Y70-L79 HydrophobicContact CG-CG 3.73Å; Y70-L79 PolarHBondContact O-N 2.89Å; Y70-G107 WeakPolarHBondContact O-CA 3.41Å; Y70-G107 PolarHBondContact O-N 2.53Å
71	D	96.4	Very high	96.2	Very high	33 Å²	33	44.1 Å²	44.1	18%	0.176	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-103.2	1.2	-176.2	61.7	7.5	0	0	0	113.6	P69 V73 Q74 A106	P69-D71 PolarHBondContact O-N 2.77Å; D71-V73 PolarHBondContact O-N 2.96Å; D71-V73 WeakPolarHBondContact OD1-CA 3.28Å; D71-V73 WeakPolarHBondContact OD1-CB 3.48Å; D71-V73 PolarHBondContact OD1-N 2.84Å; D71-Q74 PolarHBondContact OD1-N 3.12Å; D71-Q74 PolarHBondContact OD2-NE2 3.15Å; D71-A106 HydrophobicContact CB-CB 4.13Å
72	G	94.9	Very high	96.2	Very high	11 Å²	11	43.4 Å²	43.4	11%	0.113	24%	0.238	C	C	.	.	S	Bend	trans	78.9	3.6	-174.1	0	0	0	0	0	114.4	D75 R77	G72-D75 CarbonylContact C-O 3.54Å; G72-D75 VanDerWaalsContact C-O 3.25Å; G72-D75 WeakPolarHBondContact CA-O 3.3Å; G72-D75 PolarHBondContact N-O 3.13Å; G72-D75 VanDerWaalsContact N-O 3.13Å; G72-R77 PolarHBondContact N-O 3.24Å
73	V	94.6	Very high	96.3	Very high	103 Å²	103	46.6 Å²	46.6	62%	0.624	26%	0.255	S	S	*	.	S	Bend	trans	-117.5	-55.9	177.6	-177.4	0	0	0	0	110.8	D71 D75 P98	D71-V73 PolarHBondContact O-N 2.96Å; D71-V73 WeakPolarHBondContact OD1-CA 3.28Å; D71-V73 WeakPolarHBondContact OD1-CB 3.48Å; D71-V73 PolarHBondContact OD1-N 2.84Å; V73-D75 PolarHBondContact N-O 3.06Å; V73-P98 HydrophobicContact CG2-CB 3.72Å; V73-P98 HydrophobicContact CG2-CG 3.94Å
74	Q	94.9	Very high	96.3	Very high	129 Å²	129	45.5 Å²	45.5	60%	0.603	25%	0.254	S	S	*	.	S	Bend	trans	-75.6	-40.6	177.9	-69.5	172.3	78.8	0	0	111.3	P69 D71	P69-Q74 WeakPolarHBondContact O-CB 3.35Å; D71-Q74 PolarHBondContact OD1-N 3.12Å; D71-Q74 PolarHBondContact OD2-NE2 3.15Å
75	D	94.8	Very high	96.4	Very high	44 Å²	44	47.1 Å²	47.1	24%	0.235	26%	0.26	C	S	.	.	S	Bend	trans	-119.9	140.2	168.4	-167.2	-68.5	0	0	0	108.5	P69 Y70 G72 V73 R77	P69-D75 WeakPolarHBondContact O-CB 3.41Å; P69-D75 PolarHBondContact O-N 3.23Å; P69-D75 VanDerWaalsContact O-N 3.15Å; Y70-D75 HydrophobicContact CD1-CB 3.93Å; Y70-D75 HydrophobicContact CE1-CB 4.43Å; G72-D75 CarbonylContact C-O 3.54Å; G72-D75 VanDerWaalsContact C-O 3.25Å; G72-D75 WeakPolarHBondContact CA-O 3.3Å; G72-D75 PolarHBondContact N-O 3.13Å; G72-D75 VanDerWaalsContact N-O 3.13Å; V73-D75 PolarHBondContact N-O 3.06Å; D75-R77 PolarHBondContact O-N 2.8Å; D75-R77 WeakPolarHBondContact OD1-CA 3.36Å; D75-R77 WeakPolarHBondContact OD1-CB 3.26Å; D75-R77 VanDerWaalsContact OD1-CG 3.31Å; D75-R77 WeakPolarHBondContact OD1-CG 3.11Å; D75-R77 PolarHBondContact OD1-N 2.74Å
76	P	94.1	Very high	96.6	Very high	72 Å²	72	43.5 Å²	43.5	47%	0.468	23%	0.23	S	C	.	.	S	Bend	trans	-64	-19	175.9	27.2	-36.9	0	0	0	113.5	L54	L54-P76 HydrophobicContact CD1-CB 4.19Å; L54-P76 HydrophobicContact CD1-CG 4.2Å
77	R	95.9	Very high	96.7	Very high	44 Å²	44	39 Å²	39	17%	0.166	21%	0.209	C	C	.	.	S	Bend	trans	-78.3	144.9	172.4	-60.1	169.2	-174	-104	-3.5	110.3	L54 P55 Y70 G72 D75 T90	L54-R77 HydrophobicContact CD1-CB 4.32Å; L54-R77 HydrophobicContact CD1-CG 3.37Å; P55-R77 PolarHBondContact O-NH1 3.36Å; P55-R77 PolarHBondContact O-NH2 3.43Å; P55-R77 VanDerWaalsContact O-NH2 3.1Å; Y70-R77 CarbonylContact C-O 3.6Å; Y70-R77 VanDerWaalsContact C-O 3.29Å; Y70-R77 WeakPolarHBondContact CA-O 3.24Å; Y70-R77 HydrophobicContact CD1-CB 4.05Å; G72-R77 PolarHBondContact N-O 3.24Å; D75-R77 PolarHBondContact O-N 2.8Å; D75-R77 WeakPolarHBondContact OD1-CA 3.36Å; D75-R77 WeakPolarHBondContact OD1-CB 3.26Å; D75-R77 VanDerWaalsContact OD1-CG 3.31Å; D75-R77 WeakPolarHBondContact OD1-CG 3.11Å; D75-R77 PolarHBondContact OD1-N 2.74Å; R77-T90 WeakPolarHBondContact CA-OG1 3.42Å
78	I	97.9	Very high	96.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-116	115.7	173.9	-52.6	164.3	0	0	0	107.7	Y70 V89 T90 K93 A106	Y70-I78 WeakPolarHBondContact O-CA 3.42Å; I78-V89 HydrophobicContact CB-CG2 3.97Å; I78-V89 HydrophobicContact CG2-CG2 3.58Å; I78-V89 VanDerWaalsContact O-CG2 3.28Å; I78-V89 WeakPolarHBondContact O-CG2 3.5Å; I78-V89 PolarHBondContact O-N 3.1Å; I78-T90 PolarHBondContact N-OG1 2.78Å; I78-T90 PolarHBondContact O-N 3.04Å; I78-K93 HydrophobicContact CD1-CB 4.01Å; I78-K93 HydrophobicContact CD1-CG 4Å; I78-A106 HydrophobicContact CG2-CB 3.88Å
79	L	98.1	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.2	172.1	-57.8	-174.8	0	0	0	109.8	M57 F62 L67 Y70 V86 F87 D88 G107 I156	M57-L79 HydrophobicContact CE-CD1 4.24Å; M57-L79 HydrophobicContact SD-CD1 3.91Å; M57-L79 HydrophobicContact SD-CD2 4.12Å; F62-L79 HydrophobicContact CD1-CD1 4.33Å; F62-L79 HydrophobicContact CE1-CD1 3.44Å; F62-L79 VanDerWaalsContact CE1-CD1 3.44Å; F62-L79 HydrophobicContact CE2-CD1 4.18Å; F62-L79 HydrophobicContact CZ-CD1 3.35Å; L67-L79 HydrophobicContact CD1-CB 3.48Å; L67-L79 VanDerWaalsContact CD1-CB 3.48Å; L67-L79 HydrophobicContact CD1-CD1 4.09Å; L67-L79 HydrophobicContact CD1-CG 4.46Å; Y70-L79 HydrophobicContact CD1-CD1 4.04Å; Y70-L79 HydrophobicContact CD1-CG 4.15Å; Y70-L79 HydrophobicContact CD2-CD1 3.6Å; Y70-L79 HydrophobicContact CD2-CG 4.22Å; Y70-L79 HydrophobicContact CE1-CD1 4.42Å; Y70-L79 HydrophobicContact CE2-CD1 4.06Å; Y70-L79 HydrophobicContact CG-CB 4.29Å; Y70-L79 HydrophobicContact CG-CD1 3.59Å; Y70-L79 HydrophobicContact CG-CG 3.73Å; Y70-L79 PolarHBondContact O-N 2.89Å; L79-V86 HydrophobicContact CB-CG1 4.2Å; L79-V86 HydrophobicContact CD1-CG1 4.32Å; L79-F87 WeakPolarHBondContact CA-O 3.28Å; L79-D88 HydrophobicContact CD2-CB 3.85Å; L79-G107 WeakPolarHBondContact O-CA 3.35Å; L79-G107 PolarHBondContact O-N 3.15Å; L79-I156 HydrophobicContact CD2-CG1 4.45Å
80	M	98	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	136.5	178.2	-174.8	169.5	64.1	0	0	109.8	V82 F87 V89 Y96 F105 A110 F149	M80-V82 HydrophobicContact CE-CG2 4.21Å; M80-V82 HydrophobicContact CG-CG2 4.48Å; M80-F87 PolarHBondContact N-O 2.78Å; M80-F87 VanDerWaalsContact N-O 3.1Å; M80-F87 PolarHBondContact O-N 2.72Å; M80-V89 HydrophobicContact CB-CG1 4.44Å; M80-V89 HydrophobicContact CB-CG2 4.02Å; M80-V89 HydrophobicContact CE-CG1 4.22Å; M80-Y96 HydrophobicContact CE-CD1 4.25Å; M80-Y96 HydrophobicContact CE-CE1 3.9Å; M80-Y96 HydrophobicContact SD-CD1 4.38Å; M80-F105 HydrophobicContact CG-CB 4.25Å; M80-F105 HydrophobicContact SD-CB 3.28Å; M80-F105 WeakPolarHBondContact SD-CB 3.36Å; M80-F105 HydrophobicContact SD-CD2 4.31Å; M80-F105 HydrophobicContact SD-CG 4.12Å; M80-A110 HydrophobicContact CG-CB 3.73Å; M80-A110 HydrophobicContact SD-CB 3.61Å; M80-F149 HydrophobicContact CE-CD1 4.02Å; M80-F149 HydrophobicContact CE-CE1 3.01Å; M80-F149 HydrophobicContact CE-CE2 4.34Å; M80-F149 HydrophobicContact CE-CZ 3.21Å
81	A	98.1	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.8	173.6	0	0	0	0	0	111.1	L67 K85 V86 R108 D109 A110 L159	L67-A81 HydrophobicContact CD2-CB 3.91Å; A81-K85 CarbonylContact C-O 3.48Å; A81-K85 WeakPolarHBondContact CA-O 3.21Å; A81-V86 HydrophobicContact CB-CG2 4.2Å; A81-R108 PolarHBondContact N-O 2.9Å; A81-D109 HydrophobicContact CB-CB 4.32Å; A81-A110 PolarHBondContact O-N 3Å; A81-L159 HydrophobicContact CB-CB 4Å; A81-L159 HydrophobicContact CB-CD1 4.36Å; A81-L159 HydrophobicContact CB-CD2 3.73Å; A81-L159 HydrophobicContact CB-CG 4.26Å
82	V	98	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.9	175.7	-176.3	0	0	0	0	107.6	M80 G84 K85 F87 L114 L142 W145 E146 F149	M80-V82 HydrophobicContact CE-CG2 4.21Å; M80-V82 HydrophobicContact CG-CG2 4.48Å; V82-G84 VanDerWaalsContact C-N 3.3Å; V82-G84 PolarHBondContact O-N 2.62Å; V82-K85 PolarHBondContact N-O 3.15Å; V82-K85 WeakPolarHBondContact O-CB 3.47Å; V82-K85 PolarHBondContact O-N 3.17Å; V82-F87 HydrophobicContact CB-CD2 4.31Å; V82-F87 HydrophobicContact CB-CE2 4.03Å; V82-F87 HydrophobicContact CG2-CD2 4.36Å; V82-L114 HydrophobicContact CB-CD1 4.38Å; V82-L114 HydrophobicContact CG1-CD1 3.81Å; V82-L114 HydrophobicContact CG2-CD1 3.71Å; V82-L142 HydrophobicContact CG1-CD1 4.1Å; V82-W145 HydrophobicContact CG1-CB 4.32Å; V82-E146 HydrophobicContact CG1-CB 4.38Å; V82-F149 HydrophobicContact CG2-CD1 4.19Å; V82-F149 HydrophobicContact CG2-CD2 4.37Å; V82-F149 HydrophobicContact CG2-CE1 4.45Å; V82-F149 HydrophobicContact CG2-CG 4.18Å
83	N	96.8	Very high	96.5	Very high	67 Å²	67	39.2 Å²	39.2	36%	0.358	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	45.9	-177.2	-157.5	23.9	0	0	0	113.8	K85 S111 L142 E146	N83-K85 PolarHBondContact O-N 2.9Å; N83-S111 WeakPolarHBondContact CA-OG 3.25Å; N83-S111 PolarHBondContact N-OG 3.4Å; N83-L142 HydrophobicContact CB-CD1 4.08Å; N83-L142 HydrophobicContact CB-CD2 4.17Å; N83-L142 HydrophobicContact CB-CG 3.94Å; N83-E146 HydrophobicContact CB-CB 4.21Å; N83-E146 HydrophobicContact CB-CG 4.23Å; N83-E146 PolarHBondContact ND2-OE2 2.87Å
84	G	96.3	Very high	96.5	Very high	30 Å²	30	41.9 Å²	41.9	31%	0.309	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	3.5	-179.1	0	0	0	0	0	115.3	V82 K158 L159	V82-G84 VanDerWaalsContact C-N 3.3Å; V82-G84 PolarHBondContact O-N 2.62Å; G84-K158 CarbonylContact O-C 3.29Å; G84-K158 WeakPolarHBondContact O-CA 2.99Å; G84-L159 PolarHBondContact O-N 2.99Å
85	K	97.8	Very high	96.5	Very high	68 Å²	68	39 Å²	39	30%	0.296	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.4	174.9	-66.7	-177.4	177.5	174.3	0	110.9	A81 V82 N83 F87 E146 Y155	A81-K85 CarbonylContact C-O 3.48Å; A81-K85 WeakPolarHBondContact CA-O 3.21Å; V82-K85 PolarHBondContact N-O 3.15Å; V82-K85 WeakPolarHBondContact O-CB 3.47Å; V82-K85 PolarHBondContact O-N 3.17Å; N83-K85 PolarHBondContact O-N 2.9Å; K85-F87 HydrophobicContact CB-CD2 4.43Å; K85-F87 HydrophobicContact CB-CE2 3.55Å; K85-F87 HydrophobicContact CB-CZ 3.7Å; K85-F87 HydrophobicContact CD-CZ 4.11Å; K85-F87 WeakPolarHBondContact O-CD2 3.16Å; K85-F87 WeakPolarHBondContact O-CE2 3.37Å; K85-E146 HydrophobicContact CD-CG 4.05Å; K85-E146 WeakPolarHBondContact CD-OE1 3.28Å; K85-E146 WeakPolarHBondContact CE-OE1 3.4Å; K85-E146 IonicContact NZ-OE1 2.8Å; K85-E146 PolarHBondContact NZ-OE1 2.84Å; K85-Y155 HydrophobicContact CB-CD2 4.02Å; K85-Y155 HydrophobicContact CB-CE2 3.72Å; K85-Y155 HydrophobicContact CD-CD2 4.33Å; K85-Y155 HydrophobicContact CD-CE2 4.08Å; K85-Y155 HydrophobicContact CG-CD2 4.35Å; K85-Y155 HydrophobicContact CG-CE2 3.78Å
86	V	98.1	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.4	179	-178.9	0	0	0	0	109.9	F62 L67 L79 A81 I156 G157 L159	F62-V86 HydrophobicContact CB-CG2 4.33Å; F62-V86 HydrophobicContact CD2-CB 4.09Å; F62-V86 HydrophobicContact CD2-CG1 3.85Å; F62-V86 HydrophobicContact CD2-CG2 3.95Å; F62-V86 HydrophobicContact CE2-CB 4.4Å; F62-V86 HydrophobicContact CE2-CG1 3.88Å; F62-V86 HydrophobicContact CG-CG2 4.46Å; L67-V86 HydrophobicContact CD1-CG1 3.65Å; L67-V86 HydrophobicContact CD1-CG2 4.35Å; L79-V86 HydrophobicContact CB-CG1 4.2Å; L79-V86 HydrophobicContact CD1-CG1 4.32Å; A81-V86 HydrophobicContact CB-CG2 4.2Å; V86-I156 PolarHBondContact O-N 3.09Å; V86-G157 WeakPolarHBondContact CB-O 3.49Å; V86-G157 PolarHBondContact N-O 3.38Å; V86-G157 PolarHBondContact O-N 3.3Å; V86-L159 HydrophobicContact CG2-CB 4.08Å
87	F	98.2	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.4	-179.4	-61	-83.5	0	0	0	111.5	L79 M80 V82 K85 V89 F149 D154 Y155	L79-F87 WeakPolarHBondContact CA-O 3.28Å; M80-F87 PolarHBondContact N-O 2.78Å; M80-F87 VanDerWaalsContact N-O 3.1Å; M80-F87 PolarHBondContact O-N 2.72Å; V82-F87 HydrophobicContact CB-CD2 4.31Å; V82-F87 HydrophobicContact CB-CE2 4.03Å; V82-F87 HydrophobicContact CG2-CD2 4.36Å; K85-F87 HydrophobicContact CB-CD2 4.43Å; K85-F87 HydrophobicContact CB-CE2 3.55Å; K85-F87 HydrophobicContact CB-CZ 3.7Å; K85-F87 HydrophobicContact CD-CZ 4.11Å; K85-F87 WeakPolarHBondContact O-CD2 3.16Å; K85-F87 WeakPolarHBondContact O-CE2 3.37Å; F87-V89 HydrophobicContact CB-CG1 4.09Å; F87-V89 PolarHBondContact O-N 3.12Å; F87-F149 HydrophobicContact CB-CD1 4.46Å; F87-F149 HydrophobicContact CD1-CB 4.37Å; F87-F149 HydrophobicContact CD2-CB 4.05Å; F87-F149 HydrophobicContact CD2-CD1 4.3Å; F87-F149 HydrophobicContact CE1-CB 4.27Å; F87-F149 HydrophobicContact CE2-CB 3.94Å; F87-F149 HydrophobicContact CG-CB 4.26Å; F87-F149 HydrophobicContact CG-CD1 4.38Å; F87-F149 HydrophobicContact CZ-CB 4.05Å; F87-D154 WeakPolarHBondContact CA-O 3.4Å; F87-Y155 HydrophobicContact CE1-CD2 4.09Å; F87-Y155 HydrophobicContact CZ-CD2 4.4Å
88	D	97.8	Very high	96.5	Very high	14 Å²	14	35.8 Å²	35.8	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	104.8	167	-171.8	-22.8	0	0	0	109.6	L79 T90 D154 I156	L79-D88 HydrophobicContact CD2-CB 3.85Å; D88-T90 WeakPolarHBondContact OD1-CB 3.5Å; D88-T90 PolarHBondContact OD1-N 3.15Å; D88-T90 PolarHBondContact OD1-OG1 3.05Å; D88-D154 HydrophobicContact CB-CB 4.44Å; D88-D154 PolarHBondContact N-O 3.17Å; D88-I156 HydrophobicContact CB-CD1 3.84Å; D88-I156 HydrophobicContact CB-CG1 3.79Å
89	V	97.4	Very high	96.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.			trans	-104.6	16.3	-177.6	-60.3	0	0	0	0	111.7	I78 M80 F87 R91 G92 Y96 F149 Y153	I78-V89 HydrophobicContact CB-CG2 3.97Å; I78-V89 HydrophobicContact CG2-CG2 3.58Å; I78-V89 VanDerWaalsContact O-CG2 3.28Å; I78-V89 WeakPolarHBondContact O-CG2 3.5Å; I78-V89 PolarHBondContact O-N 3.1Å; M80-V89 HydrophobicContact CB-CG1 4.44Å; M80-V89 HydrophobicContact CB-CG2 4.02Å; M80-V89 HydrophobicContact CE-CG1 4.22Å; F87-V89 HydrophobicContact CB-CG1 4.09Å; F87-V89 PolarHBondContact O-N 3.12Å; V89-R91 VanDerWaalsContact C-N 3.27Å; V89-R91 PolarHBondContact O-N 3.12Å; V89-G92 CarbonylContact O-C 3.34Å; V89-G92 VanDerWaalsContact O-CA 3.24Å; V89-G92 WeakPolarHBondContact O-CA 3.33Å; V89-G92 PolarHBondContact O-N 3.34Å; V89-Y96 HydrophobicContact CB-CD2 3.73Å; V89-Y96 HydrophobicContact CB-CE2 3.88Å; V89-Y96 HydrophobicContact CG1-CE2 4.38Å; V89-Y96 HydrophobicContact CG2-CD2 3.83Å; V89-Y96 HydrophobicContact CG2-CE2 4.39Å; V89-Y96 HydrophobicContact CG2-CG 4.17Å; V89-F149 HydrophobicContact CG1-CD1 4.11Å; V89-F149 HydrophobicContact CG1-CE1 3.8Å; V89-Y153 HydrophobicContact CB-CD1 4.15Å; V89-Y153 HydrophobicContact CB-CE1 4.2Å; V89-Y153 HydrophobicContact CB-CG 4.49Å; V89-Y153 HydrophobicContact CG1-CD1 3.92Å; V89-Y153 HydrophobicContact CG1-CD2 3.91Å; V89-Y153 HydrophobicContact CG1-CE1 4.23Å; V89-Y153 HydrophobicContact CG1-CE2 4.17Å; V89-Y153 HydrophobicContact CG1-CG 3.76Å
90	T	96	Very high	96.1	Very high	23 Å²	23	44.3 Å²	44.3	14%	0.141	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.8	-38.8	-178.7	-53.1	0	0	0	0	112.1	L54 R77 I78 D88 G92 K93	L54-T90 HydrophobicContact CD1-CG2 4.02Å; R77-T90 WeakPolarHBondContact CA-OG1 3.42Å; I78-T90 PolarHBondContact N-OG1 2.78Å; I78-T90 PolarHBondContact O-N 3.04Å; D88-T90 WeakPolarHBondContact OD1-CB 3.5Å; D88-T90 PolarHBondContact OD1-N 3.15Å; D88-T90 PolarHBondContact OD1-OG1 3.05Å; T90-G92 PolarHBondContact O-N 3.41Å; T90-K93 WeakPolarHBondContact O-CB 3.28Å; T90-K93 PolarHBondContact O-N 2.69Å
91	R	94.2	Very high	96	Very high	161 Å²	161	48.4 Å²	48.4	61%	0.608	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-61.7	-17.1	173.6	59.5	169.7	153.3	179.5	-15.6	114	V89 K152 Y153	V89-R91 VanDerWaalsContact C-N 3.27Å; V89-R91 PolarHBondContact O-N 3.12Å; R91-K152 PolarHBondContact NE-O 2.78Å; R91-K152 VanDerWaalsContact NE-O 3.13Å; R91-K152 PolarHBondContact NH1-O 3.01Å; R91-K152 VanDerWaalsContact NH1-O 3.17Å; R91-K152 PolarHBondContact NH2-O 3.05Å; R91-Y153 HydrophobicContact CG-CD1 3.93Å; R91-Y153 HydrophobicContact CG-CE1 3.95Å; R91-Y153 VanDerWaalsContact NH2-CA 3.25Å
92	G	94.4	Very high	95.9	Very high	3 Å²	3	53.3 Å²	53.3	3%	0.031	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-93.3	19.7	172.7	0	0	0	0	0	114	V89 T90 K94 F95 Y96	V89-G92 CarbonylContact O-C 3.34Å; V89-G92 VanDerWaalsContact O-CA 3.24Å; V89-G92 WeakPolarHBondContact O-CA 3.33Å; V89-G92 PolarHBondContact O-N 3.34Å; T90-G92 PolarHBondContact O-N 3.41Å; G92-K94 PolarHBondContact O-N 3.37Å; G92-F95 WeakPolarHBondContact O-CA 3.49Å; G92-F95 WeakPolarHBondContact O-CB 3.46Å; G92-F95 PolarHBondContact O-N 3.13Å; G92-Y96 VanDerWaalsContact O-CD2 3.32Å; G92-Y96 WeakPolarHBondContact O-CD2 3.39Å; G92-Y96 PolarHBondContact O-N 2.66Å
93	K	94.7	Very high	95.8	Very high	65 Å²	65	54.2 Å²	54.2	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-49	-34.6	-178.1	-173.2	174.9	-170.5	-179.9	0	114.5	E51 I78 T90 F95 G97	E51-K93 IonicContact OE1-NZ 2.73Å; E51-K93 PolarHBondContact OE1-NZ 3.46Å; E51-K93 IonicContact OE2-NZ 3.64Å; E51-K93 PolarHBondContact OE2-NZ 2.71Å; I78-K93 HydrophobicContact CD1-CB 4.01Å; I78-K93 HydrophobicContact CD1-CG 4Å; T90-K93 WeakPolarHBondContact O-CB 3.28Å; T90-K93 PolarHBondContact O-N 2.69Å; K93-F95 PolarHBondContact O-N 2.86Å; K93-F95 VanDerWaalsContact O-N 3.12Å; K93-G97 WeakPolarHBondContact O-CA 3.35Å; K93-G97 PolarHBondContact O-N 3.34Å
94	K	94.4	Very high	95.8	Very high	159 Å²	159	52.7 Å²	52.7	69%	0.691	27%	0.271	S	S	*	.	H	α-helix	trans	-61.1	-20	174.4	69.6	-176.6	-175.5	-179.9	0	114.6	G92	G92-K94 PolarHBondContact O-N 3.37Å
95	F	95.6	Very high	95.8	Very high	69 Å²	69	51.5 Å²	51.5	30%	0.303	26%	0.258	S	S	.	.	H	α-helix	trans	-105	-46.8	-179.3	-65.5	-61.3	0	0	0	112	G92 K93 G100 P101 Y102 G103	G92-F95 WeakPolarHBondContact O-CA 3.49Å; G92-F95 WeakPolarHBondContact O-CB 3.46Å; G92-F95 PolarHBondContact O-N 3.13Å; K93-F95 PolarHBondContact O-N 2.86Å; K93-F95 VanDerWaalsContact O-N 3.12Å; F95-G100 CarbonylContact O-C 3.27Å; F95-G100 VanDerWaalsContact O-C 3.27Å; F95-G100 VanDerWaalsContact O-CA 3.31Å; F95-G100 WeakPolarHBondContact O-CA 3.28Å; F95-P101 HydrophobicContact CD1-CG 4.44Å; F95-Y102 HydrophobicContact CB-CD2 4.06Å; F95-Y102 HydrophobicContact CD1-CD2 4.34Å; F95-Y102 HydrophobicContact CD1-CE2 4.24Å; F95-Y102 CarbonylContact O-C 3.4Å; F95-Y102 WeakPolarHBondContact O-CA 3.26Å; F95-Y102 WeakPolarHBondContact O-CB 3.41Å; F95-Y102 PolarHBondContact O-N 3.08Å; F95-G103 PolarHBondContact O-N 3.45Å
96	Y	97.1	Very high	95.8	Very high	18 Å²	18	48.7 Å²	48.7	7%	0.071	25%	0.247	C	C	.	.	H	α-helix	trans	-106.9	-2.9	-172.3	-43.5	-70.8	0	0	0	113.8	M80 V89 G92 Y102 G103 A106 F149 Y153	M80-Y96 HydrophobicContact CE-CD1 4.25Å; M80-Y96 HydrophobicContact CE-CE1 3.9Å; M80-Y96 HydrophobicContact SD-CD1 4.38Å; V89-Y96 HydrophobicContact CB-CD2 3.73Å; V89-Y96 HydrophobicContact CB-CE2 3.88Å; V89-Y96 HydrophobicContact CG1-CE2 4.38Å; V89-Y96 HydrophobicContact CG2-CD2 3.83Å; V89-Y96 HydrophobicContact CG2-CE2 4.39Å; V89-Y96 HydrophobicContact CG2-CG 4.17Å; G92-Y96 VanDerWaalsContact O-CD2 3.32Å; G92-Y96 WeakPolarHBondContact O-CD2 3.39Å; G92-Y96 PolarHBondContact O-N 2.66Å; Y96-Y102 HydrophobicContact CE1-CD2 4.36Å; Y96-G103 WeakPolarHBondContact O-CA 3.36Å; Y96-A106 WeakPolarHBondContact O-CB 3.32Å; Y96-F149 HydrophobicContact CE1-CZ 4.38Å; Y96-F149 WeakPolarHBondContact OH-CZ 3.21Å; Y96-Y153 HydrophobicContact CE2-CE1 4.37Å; Y96-Y153 HydrophobicContact CE2-CE2 4.39Å; Y96-Y153 AromaticContact CE2-CZ 3.78Å; Y96-Y153 VanDerWaalsContact CE2-OH 3.24Å; Y96-Y153 WeakPolarHBondContact CE2-OH 3.36Å; Y96-Y153 PolarHBondContact OH-OH 2.93Å; Y96-Y153 VanDerWaalsContact OH-OH 3.08Å
97	G	95.2	Very high	95.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	25%	0.249	C	C	.	.	S	Bend	trans	-69.3	175.4	173.6	0	0	0	0	0	111.8	K93 D99 G100 G103	K93-G97 WeakPolarHBondContact O-CA 3.35Å; K93-G97 PolarHBondContact O-N 3.34Å; G97-D99 PolarHBondContact O-N 3.43Å; G97-D99 VanDerWaalsContact O-N 3.15Å; G97-G100 PolarHBondContact O-N 2.8Å; G97-G103 WeakPolarHBondContact O-CA 3.48Å
98	P	93.3	Very high	95.7	Very high	74 Å²	74	52.4 Å²	52.4	48%	0.481	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.7	-175.7	20.4	-32.9	0	0	0	113.9	V73	V73-P98 HydrophobicContact CG2-CB 3.72Å; V73-P98 HydrophobicContact CG2-CG 3.94Å
99	D	92.8	Very high	95.7	Very high	165 Å²	165	52.8 Å²	52.8	88%	0.882	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	3.2	179.3	-54	-55.6	0	0	0	113.1	G97	G97-D99 PolarHBondContact O-N 3.43Å; G97-D99 VanDerWaalsContact O-N 3.15Å
100	G	93.9	Very high	95.7	Very high	14 Å²	14	52.8 Å²	52.8	14%	0.144	26%	0.264	C	S	.	.	S	Bend	trans	-82.8	149.6	-177.6	0	0	0	0	0	112.7	F95 G97 Y102 G103	F95-G100 CarbonylContact O-C 3.27Å; F95-G100 VanDerWaalsContact O-C 3.27Å; F95-G100 VanDerWaalsContact O-CA 3.31Å; F95-G100 WeakPolarHBondContact O-CA 3.28Å; G97-G100 PolarHBondContact O-N 2.8Å; G100-Y102 PolarHBondContact O-N 3.19Å; G100-Y102 VanDerWaalsContact O-N 3.09Å; G100-G103 PolarHBondContact O-N 3.08Å
101	P	95.3	Very high	95.7	Very high	86 Å²	86	51.7 Å²	51.7	56%	0.558	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.7	-179.6	26	-36.8	0	0	0	114.1	F95	F95-P101 HydrophobicContact CD1-CG 4.44Å
102	Y	96.4	Very high	95.8	Very high	102 Å²	102	45.5 Å²	45.5	40%	0.4	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	18.4	179.5	-49.1	-53.8	0	0	0	112	F95 Y96 G100 V104 F105 L119	F95-Y102 HydrophobicContact CB-CD2 4.06Å; F95-Y102 HydrophobicContact CD1-CD2 4.34Å; F95-Y102 HydrophobicContact CD1-CE2 4.24Å; F95-Y102 CarbonylContact O-C 3.4Å; F95-Y102 WeakPolarHBondContact O-CA 3.26Å; F95-Y102 WeakPolarHBondContact O-CB 3.41Å; F95-Y102 PolarHBondContact O-N 3.08Å; Y96-Y102 HydrophobicContact CE1-CD2 4.36Å; G100-Y102 PolarHBondContact O-N 3.19Å; G100-Y102 VanDerWaalsContact O-N 3.09Å; Y102-V104 PolarHBondContact O-N 2.87Å; Y102-V104 VanDerWaalsContact O-N 3.09Å; Y102-F105 PolarHBondContact O-N 2.88Å; Y102-F105 VanDerWaalsContact O-N 3.13Å; Y102-L119 HydrophobicContact CD1-CD1 3.93Å; Y102-L119 HydrophobicContact CD1-CD2 3.79Å; Y102-L119 HydrophobicContact CE1-CD1 3.95Å; Y102-L119 HydrophobicContact CE1-CD2 4.3Å
103	G	96.1	Very high	95.9	Very high	20 Å²	20	45.5 Å²	45.5	21%	0.206	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59.4	-19.6	177.4	0	0	0	0	0	113.7	F95 Y96 G97 G100 F105 A106	F95-G103 PolarHBondContact O-N 3.45Å; Y96-G103 WeakPolarHBondContact O-CA 3.36Å; G97-G103 WeakPolarHBondContact O-CA 3.48Å; G100-G103 PolarHBondContact O-N 3.08Å; G103-F105 PolarHBondContact O-N 3.3Å; G103-F105 VanDerWaalsContact O-N 3.12Å; G103-A106 VanDerWaalsContact O-CB 3.28Å; G103-A106 WeakPolarHBondContact O-CB 3.36Å; G103-A106 PolarHBondContact O-N 2.91Å; G103-A106 VanDerWaalsContact O-N 3.1Å
104	V	96.4	Very high	96	Very high	35 Å²	35	43.2 Å²	43.2	21%	0.212	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.3	-24.2	174.5	73.5	0	0	0	0	113.5	Y102 R108 L119 R121 L124	Y102-V104 PolarHBondContact O-N 2.87Å; Y102-V104 VanDerWaalsContact O-N 3.09Å; V104-R108 VanDerWaalsContact O-CD 3.28Å; V104-R108 WeakPolarHBondContact O-CD 3.37Å; V104-L119 HydrophobicContact CG1-CB 4.39Å; V104-L119 HydrophobicContact CG1-CD2 4.38Å; V104-R121 HydrophobicContact CG2-CB 3.7Å; V104-R121 HydrophobicContact CG2-CG 3.98Å; V104-L124 HydrophobicContact CG1-CD1 4.48Å; V104-L124 HydrophobicContact CG2-CD1 3.88Å
105	F	97.4	Very high	96.1	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.018	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-93.2	-7	-179.9	-59	-44.5	0	0	0	114.5	M80 Y102 G103 G107 R108 A110 L114 L119 L124	M80-F105 HydrophobicContact CG-CB 4.25Å; M80-F105 HydrophobicContact SD-CB 3.28Å; M80-F105 WeakPolarHBondContact SD-CB 3.36Å; M80-F105 HydrophobicContact SD-CD2 4.31Å; M80-F105 HydrophobicContact SD-CG 4.12Å; Y102-F105 PolarHBondContact O-N 2.88Å; Y102-F105 VanDerWaalsContact O-N 3.13Å; G103-F105 PolarHBondContact O-N 3.3Å; G103-F105 VanDerWaalsContact O-N 3.12Å; F105-G107 PolarHBondContact O-N 3.24Å; F105-R108 PolarHBondContact O-N 3.31Å; F105-A110 HydrophobicContact CB-CB 3.87Å; F105-A110 HydrophobicContact CD1-CB 3.78Å; F105-A110 HydrophobicContact CD2-CB 4.27Å; F105-A110 HydrophobicContact CE1-CB 4.37Å; F105-A110 HydrophobicContact CG-CB 3.74Å; F105-L114 HydrophobicContact CE2-CD2 4.12Å; F105-L119 HydrophobicContact CD2-CD2 4.48Å; F105-L119 HydrophobicContact CE1-CD2 4.49Å; F105-L119 HydrophobicContact CE2-CD2 3.45Å; F105-L119 VanDerWaalsContact CE2-CD2 3.45Å; F105-L119 HydrophobicContact CZ-CD2 3.47Å; F105-L119 VanDerWaalsContact CZ-CD2 3.47Å; F105-L124 HydrophobicContact CD1-CD1 3.66Å; F105-L124 HydrophobicContact CD1-CD2 4.19Å; F105-L124 HydrophobicContact CE1-CD1 3.85Å; F105-L124 HydrophobicContact CE1-CD2 3.98Å; F105-L124 HydrophobicContact CE1-CG 4.4Å
106	A	97.5	Very high	96.1	Very high	9 Å²	9	34.7 Å²	34.7	7%	0.074	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	128.9	-178.9	0	0	0	0	0	111.1	D71 I78 Y96 G103 R108	D71-A106 HydrophobicContact CB-CB 4.13Å; I78-A106 HydrophobicContact CG2-CB 3.88Å; Y96-A106 WeakPolarHBondContact O-CB 3.32Å; G103-A106 VanDerWaalsContact O-CB 3.28Å; G103-A106 WeakPolarHBondContact O-CB 3.36Å; G103-A106 PolarHBondContact O-N 2.91Å; G103-A106 VanDerWaalsContact O-N 3.1Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 3.49Å
107	G	97.1	Very high	95.9	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.031	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	20.8	-178.9	0	0	0	0	0	114.6	L67 K68 Y70 L79 F105	L67-G107 CarbonylContact C-O 3.25Å; L67-G107 WeakPolarHBondContact O-CA 3.34Å; K68-G107 VanDerWaalsContact CA-O 3.31Å; K68-G107 WeakPolarHBondContact CA-O 3.24Å; K68-G107 PolarHBondContact N-O 3.1Å; Y70-G107 WeakPolarHBondContact O-CA 3.41Å; Y70-G107 PolarHBondContact O-N 2.53Å; L79-G107 WeakPolarHBondContact O-CA 3.35Å; L79-G107 PolarHBondContact O-N 3.15Å; F105-G107 PolarHBondContact O-N 3.24Å
108	R	96.8	Very high	95.9	Very high	75 Å²	75	42.2 Å²	42.2	28%	0.283	23%	0.229	S	C	.	.	S	Bend	trans	-134.2	169.5	-172.3	-67.1	174.4	-175.8	-98.6	0.2	113.2	A81 V104 F105 A106 A110	A81-R108 PolarHBondContact N-O 2.9Å; V104-R108 VanDerWaalsContact O-CD 3.28Å; V104-R108 WeakPolarHBondContact O-CD 3.37Å; F105-R108 PolarHBondContact O-N 3.31Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 3.49Å; R108-A110 PolarHBondContact O-N 3.31Å
109	D	97.4	Very high	95.9	Very high	22 Å²	22	42.5 Å²	42.5	12%	0.118	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-79.3	109.9	161.6	-171	-2.3	0	0	0	110.3	L64 A81 S111 L159	L64-D109 HydrophobicContact CD2-CB 4.05Å; A81-D109 HydrophobicContact CB-CB 4.32Å; D109-S111 VanDerWaalsContact C-N 3.34Å; D109-S111 WeakPolarHBondContact OD1-CB 3.49Å; D109-S111 PolarHBondContact OD1-N 3.17Å; D109-S111 PolarHBondContact OD1-OG 3.01Å; D109-L159 HydrophobicContact CB-CD2 3.8Å
110	A	97.2	Very high	95.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.			trans	-88	-3.7	-179.5	0	0	0	0	0	112.8	M80 A81 F105 R108 R112 G113 L114	M80-A110 HydrophobicContact CG-CB 3.73Å; M80-A110 HydrophobicContact SD-CB 3.61Å; A81-A110 PolarHBondContact O-N 3Å; F105-A110 HydrophobicContact CB-CB 3.87Å; F105-A110 HydrophobicContact CD1-CB 3.78Å; F105-A110 HydrophobicContact CD2-CB 4.27Å; F105-A110 HydrophobicContact CE1-CB 4.37Å; F105-A110 HydrophobicContact CG-CB 3.74Å; R108-A110 PolarHBondContact O-N 3.31Å; A110-R112 PolarHBondContact O-N 2.87Å; A110-G113 PolarHBondContact O-N 3.46Å; A110-G113 VanDerWaalsContact O-N 3.08Å; A110-L114 HydrophobicContact CB-CD1 3.85Å; A110-L114 HydrophobicContact CB-CG 4.11Å; A110-L114 WeakPolarHBondContact O-CB 3.14Å; A110-L114 WeakPolarHBondContact O-CG 3.4Å; A110-L114 PolarHBondContact O-N 3.21Å
111	S	97.2	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-53.7	-51.1	-167.7	-57.5	0	0	0	0	113.2	N83 D109 L114 A115 L131	N83-S111 WeakPolarHBondContact CA-OG 3.25Å; N83-S111 PolarHBondContact N-OG 3.4Å; D109-S111 VanDerWaalsContact C-N 3.34Å; D109-S111 WeakPolarHBondContact OD1-CB 3.49Å; D109-S111 PolarHBondContact OD1-N 3.17Å; D109-S111 PolarHBondContact OD1-OG 3.01Å; S111-L114 PolarHBondContact O-N 3.09Å; S111-A115 VanDerWaalsContact O-CB 3.25Å; S111-A115 WeakPolarHBondContact O-CB 3.42Å; S111-A115 PolarHBondContact O-N 2.92Å; S111-L131 VanDerWaalsContact CB-CD1 3.41Å
112	R	96.4	Very high	94.9	Very high	31 Å²	31	49.7 Å²	49.7	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-43.8	178.1	-178.4	174.8	-62.2	-83.4	-5.5	112.1	A110 L114 A115 T116 D129 D130 L131 D133	A110-R112 PolarHBondContact O-N 2.87Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 3.24Å; R112-A115 PolarHBondContact O-N 2.9Å; R112-T116 HydrophobicContact CG-CG2 4.19Å; R112-T116 WeakPolarHBondContact O-CB 3.24Å; R112-T116 WeakPolarHBondContact O-CG2 3.42Å; R112-T116 PolarHBondContact O-N 3.39Å; R112-T116 PolarHBondContact O-OG1 3.39Å; R112-D129 VanDerWaalsContact CB-OD2 3.3Å; R112-D129 WeakPolarHBondContact CB-OD2 3.47Å; R112-D129 WeakPolarHBondContact CD-OD2 3.41Å; R112-D129 IonicContact CZ-OD1 2.62Å; R112-D129 IonicContact CZ-OD2 3.44Å; R112-D129 IonicContact NE-OD1 3.52Å; R112-D129 PolarHBondContact NE-OD1 2.94Å; R112-D129 IonicContact NE-OD2 2.81Å; R112-D129 PolarHBondContact NE-OD2 3.44Å; R112-D129 IonicContact NH2-OD1 2.85Å; R112-D129 PolarHBondContact NH2-OD1 3.36Å; R112-D129 IonicContact NH2-OD2 3.25Å; R112-D130 PolarHBondContact NH2-O 3.04Å; R112-L131 HydrophobicContact CB-CD2 3.97Å; R112-D133 IonicContact CZ-OD1 2.73Å; R112-D133 IonicContact CZ-OD2 3.48Å; R112-D133 IonicContact NH1-OD1 2.7Å; R112-D133 PolarHBondContact NH1-OD1 2.93Å; R112-D133 IonicContact NH1-OD2 3.19Å; R112-D133 PolarHBondContact NH1-OD2 3Å; R112-D133 IonicContact NH2-OD1 2.71Å; R112-D133 PolarHBondContact NH2-OD1 3.15Å; R112-D133 IonicContact NH2-OD2 3.78Å; R112-D133 PolarHBondContact NH2-OD2 3.49Å
113	G	96.3	Very high	94.2	Very high	4 Å²	4	46.9 Å²	46.9	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-42.2	179.9	0	0	0	0	0	112	A110 F117 C118	A110-G113 PolarHBondContact O-N 3.46Å; A110-G113 VanDerWaalsContact O-N 3.08Å; G113-F117 CarbonylContact O-C 3.53Å; G113-F117 VanDerWaalsContact O-CA 3.29Å; G113-F117 WeakPolarHBondContact O-CA 3.31Å; G113-F117 PolarHBondContact O-N 2.92Å; G113-C118 VanDerWaalsContact CA-O 3.26Å; G113-C118 WeakPolarHBondContact CA-O 3.39Å; G113-C118 PolarHBondContact O-N 2.83Å
114	L	96.6	Very high	93.7	Very high	16 Å²	16	46.6 Å²	46.6	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-69.1	-43.4	176.4	-68.3	173.8	0	0	0	112.5	V82 F105 A110 S111 R112 T116 W145 F149	V82-L114 HydrophobicContact CB-CD1 4.38Å; V82-L114 HydrophobicContact CG1-CD1 3.81Å; V82-L114 HydrophobicContact CG2-CD1 3.71Å; F105-L114 HydrophobicContact CE2-CD2 4.12Å; A110-L114 HydrophobicContact CB-CD1 3.85Å; A110-L114 HydrophobicContact CB-CG 4.11Å; A110-L114 WeakPolarHBondContact O-CB 3.14Å; A110-L114 WeakPolarHBondContact O-CG 3.4Å; A110-L114 PolarHBondContact O-N 3.21Å; S111-L114 PolarHBondContact O-N 3.09Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 3.24Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 3.05Å; L114-W145 HydrophobicContact CB-CG 4.07Å; L114-W145 HydrophobicContact CD1-CB 4.31Å; L114-W145 HydrophobicContact CD1-CG 4.38Å; L114-W145 HydrophobicContact CD2-CD2 4.09Å; L114-W145 HydrophobicContact CD2-CG 4.35Å; L114-W145 HydrophobicContact CD2-CZ2 4.48Å; L114-W145 PolarHBondContact O-NE1 3.48Å; L114-F149 HydrophobicContact CD1-CE2 4.42Å
115	A	96.8	Very high	93.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-32.8	178.9	0	0	0	0	0	112.8	S111 R112 L134 Q138 L142	S111-A115 VanDerWaalsContact O-CB 3.25Å; S111-A115 WeakPolarHBondContact O-CB 3.42Å; S111-A115 PolarHBondContact O-N 2.92Å; R112-A115 PolarHBondContact O-N 2.9Å; A115-L134 HydrophobicContact CB-CD1 3.71Å; A115-L134 HydrophobicContact CB-CD2 4.27Å; A115-Q138 HydrophobicContact CB-CB 4.31Å; A115-L142 HydrophobicContact CB-CB 4.05Å
116	T	94.8	Very high	92.6	Very high	49 Å²	49	54 Å²	54	30%	0.301	28%	0.281	S	S	.	.	H	α-helix	trans	-103.8	-0.8	-175.5	62.7	0	0	0	0	113.8	R112 L114 C118 L134	R112-T116 HydrophobicContact CG-CG2 4.19Å; R112-T116 WeakPolarHBondContact O-CB 3.24Å; R112-T116 WeakPolarHBondContact O-CG2 3.42Å; R112-T116 PolarHBondContact O-N 3.39Å; R112-T116 PolarHBondContact O-OG1 3.39Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 3.05Å; T116-C118 PolarHBondContact O-N 2.66Å; T116-C118 WeakPolarHBondContact OG1-CB 3.42Å; T116-L134 HydrophobicContact CG2-CD2 4.2Å
117	F	94.3	Very high	92.2	Very high	148 Å²	148	61.3 Å²	61.3	65%	0.649	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	38.6	-172.8	-58.9	-85.3	0	0	0	113.4	G113 W145	G113-F117 CarbonylContact O-C 3.53Å; G113-F117 VanDerWaalsContact O-CA 3.29Å; G113-F117 WeakPolarHBondContact O-CA 3.31Å; G113-F117 PolarHBondContact O-N 2.92Å; F117-W145 HydrophobicContact CE1-CZ2 4.44Å
118	C	93.4	Very high	91.9	Very high	29 Å²	29	64.2 Å²	64.2	20%	0.196	33%	0.327	C	S	.	.			trans	-110.3	128.6	-178.4	-175.2	0	0	0	0	110.7	G113 T116 D120	G113-C118 VanDerWaalsContact CA-O 3.26Å; G113-C118 WeakPolarHBondContact CA-O 3.39Å; G113-C118 PolarHBondContact O-N 2.83Å; T116-C118 PolarHBondContact O-N 2.66Å; T116-C118 WeakPolarHBondContact OG1-CB 3.42Å; C118-D120 PolarHBondContact SG-N 2.9Å
119	L	93.6	Very high	91.7	Very high	79 Å²	79	61.2 Å²	61.2	41%	0.414	32%	0.316	S	S	.	.			trans	-106	7.1	175.9	-58.8	-180	0	0	0	112.4	Y102 V104 F105 R121	Y102-L119 HydrophobicContact CD1-CD1 3.93Å; Y102-L119 HydrophobicContact CD1-CD2 3.79Å; Y102-L119 HydrophobicContact CE1-CD1 3.95Å; Y102-L119 HydrophobicContact CE1-CD2 4.3Å; V104-L119 HydrophobicContact CG1-CB 4.39Å; V104-L119 HydrophobicContact CG1-CD2 4.38Å; F105-L119 HydrophobicContact CD2-CD2 4.48Å; F105-L119 HydrophobicContact CE1-CD2 4.49Å; F105-L119 HydrophobicContact CE2-CD2 3.45Å; F105-L119 VanDerWaalsContact CE2-CD2 3.45Å; F105-L119 HydrophobicContact CZ-CD2 3.47Å; F105-L119 VanDerWaalsContact CZ-CD2 3.47Å; L119-R121 PolarHBondContact O-N 2.91Å
120	D	91	Very high	91.4	Very high	115 Å²	115	64.7 Å²	64.7	62%	0.615	33%	0.334	S	S	*	.			trans	-73.4	122.1	180	-68	-36.3	0	0	0	109.9	C118 D122 A123	C118-D120 PolarHBondContact SG-N 2.9Å; D120-D122 PolarHBondContact O-N 3.18Å; D120-D122 VanDerWaalsContact O-N 3.17Å; D120-A123 HydrophobicContact CB-CB 4.32Å; D120-A123 WeakPolarHBondContact O-CB 3.39Å; D120-A123 PolarHBondContact O-N 3.35Å
121	R	86.3	Confident	91.2	Very high	158 Å²	158	66.1 Å²	66.1	60%	0.596	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-58.1	-33	-179.1	-167.6	-171.5	69.1	-145	-6	112.5	V104 L119 A123 L124	V104-R121 HydrophobicContact CG2-CB 3.7Å; V104-R121 HydrophobicContact CG2-CG 3.98Å; L119-R121 PolarHBondContact O-N 2.91Å; R121-A123 VanDerWaalsContact C-N 3.27Å; R121-A123 PolarHBondContact O-N 3.42Å; R121-L124 PolarHBondContact O-N 3.4Å
122	D	84.4	Confident	91.1	Very high	143 Å²	143	70.4 Å²	70.4	77%	0.765	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-76.4	-17.4	-177.2	-59.2	-22.7	0	0	0	112.3	D120 L124	D120-D122 PolarHBondContact O-N 3.18Å; D120-D122 VanDerWaalsContact O-N 3.17Å; D122-L124 VanDerWaalsContact C-N 3.31Å
123	A	80.9	Confident	91	Very high	44 Å²	44	73.8 Å²	73.8	36%	0.364	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-79	-16.5	171.2	0	0	0	0	0	112.5	D120 R121	D120-A123 HydrophobicContact CB-CB 4.32Å; D120-A123 WeakPolarHBondContact O-CB 3.39Å; D120-A123 PolarHBondContact O-N 3.35Å; R121-A123 VanDerWaalsContact C-N 3.27Å; R121-A123 PolarHBondContact O-N 3.42Å
124	L	86.4	Confident	90.9	Very high	13 Å²	13	74 Å²	74	7%	0.068	39%	0.392	C	S	.	.	S	Bend	trans	-89	120.7	177.2	-65	169.8	0	0	0	110.2	V104 F105 R121 D122	V104-L124 HydrophobicContact CG1-CD1 4.48Å; V104-L124 HydrophobicContact CG2-CD1 3.88Å; F105-L124 HydrophobicContact CD1-CD1 3.66Å; F105-L124 HydrophobicContact CD1-CD2 4.19Å; F105-L124 HydrophobicContact CE1-CD1 3.85Å; F105-L124 HydrophobicContact CE1-CD2 3.98Å; F105-L124 HydrophobicContact CE1-CG 4.4Å; R121-L124 PolarHBondContact O-N 3.4Å; D122-L124 VanDerWaalsContact C-N 3.31Å
125	K	86.1	Confident	91	Very high	109 Å²	109	77 Å²	77	47%	0.474	41%	0.409	S	S	.	.			trans	-71	141.8	176.7	-63.5	-175.5	-171.1	157.6	0	110.3	E127 D129	K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 WeakPolarHBondContact CB-O 3.29Å; K125-D129 HydrophobicContact CB-CB 4.39Å; K125-D129 HydrophobicContact CD-CB 4.12Å; K125-D129 WeakPolarHBondContact CD-OD1 3.49Å; K125-D129 VanDerWaalsContact CE-OD1 3.26Å; K125-D129 WeakPolarHBondContact CE-OD1 3.46Å; K125-D129 IonicContact NZ-OD1 3.35Å; K125-D129 PolarHBondContact NZ-OD1 2.79Å
126	A	84	Confident	91	Very high	85 Å²	85	80.7 Å²	80.7	70%	0.702	44%	0.439	S	S	*	.	S	Bend	trans	-77.7	-21.9	172.6	0	0	0	0	0	112.3
127	E	89.4	Confident	91.1	Very high	163 Å²	163	85.2 Å²	85.2	76%	0.762	46%	0.458	S	S	*	.	S	Bend	trans	-108.8	178.7	177.6	-62.8	-176.1	180	0	0	110.6	L64 K125 D129	L64-E127 WeakPolarHBondContact CD1-O 3.49Å; K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 WeakPolarHBondContact CB-O 3.29Å; E127-D129 PolarHBondContact O-N 3Å
128	H	90.4	Very high	91.3	Very high	65 Å²	65	80.6 Å²	80.6	30%	0.301	44%	0.439	S	S	.	.			trans	-55.6	125.6	-178.1	177.3	-79.8	0	0	0	111	L64 K161 P162	L64-H128 HydrophobicContact CD1-CB 4.39Å; H128-K161 WeakPolarHBondContact NE2-CG 3.41Å; H128-P162 HydrophobicContact CB-CG 3.75Å
129	D	92	Very high	91.5	Very high	12 Å²	12	84 Å²	84	6%	0.064	45%	0.452	C	S	.	.			trans	-96.4	112.2	-179	-164.1	2.8	0	0	0	110.4	R112 K125 E127 L131	R112-D129 VanDerWaalsContact CB-OD2 3.3Å; R112-D129 WeakPolarHBondContact CB-OD2 3.47Å; R112-D129 WeakPolarHBondContact CD-OD2 3.41Å; R112-D129 IonicContact CZ-OD1 2.62Å; R112-D129 IonicContact CZ-OD2 3.44Å; R112-D129 IonicContact NE-OD1 3.52Å; R112-D129 PolarHBondContact NE-OD1 2.94Å; R112-D129 IonicContact NE-OD2 2.81Å; R112-D129 PolarHBondContact NE-OD2 3.44Å; R112-D129 IonicContact NH2-OD1 2.85Å; R112-D129 PolarHBondContact NH2-OD1 3.36Å; R112-D129 IonicContact NH2-OD2 3.25Å; K125-D129 HydrophobicContact CB-CB 4.39Å; K125-D129 HydrophobicContact CD-CB 4.12Å; K125-D129 WeakPolarHBondContact CD-OD1 3.49Å; K125-D129 VanDerWaalsContact CE-OD1 3.26Å; K125-D129 WeakPolarHBondContact CE-OD1 3.46Å; K125-D129 IonicContact NZ-OD1 3.35Å; K125-D129 PolarHBondContact NZ-OD1 2.79Å; E127-D129 PolarHBondContact O-N 3Å; D129-L131 HydrophobicContact CB-CD2 4.31Å; D129-L131 PolarHBondContact O-N 3.38Å
130	D	91.8	Very high	91.6	Very high	94 Å²	94	87.1 Å²	87.1	50%	0.503	46%	0.464	S	S	.	.			trans	-73.5	120.4	168.2	-177	16.9	0	0	0	109.6	R112 S132	R112-D130 PolarHBondContact NH2-O 3.04Å; D130-S132 VanDerWaalsContact CG-OG 3.24Å; D130-S132 WeakPolarHBondContact OD1-CB 3.44Å; D130-S132 PolarHBondContact OD1-N 3.12Å; D130-S132 PolarHBondContact OD1-OG 2.96Å; D130-S132 PolarHBondContact OD2-OG 3.43Å
131	L	93.9	Very high	91.9	Very high	31 Å²	31	83 Å²	83	16%	0.162	44%	0.444	C	S	.	.			trans	-99.2	10.3	-177.3	-55.5	177.9	0	0	0	112.6	S111 R112 D129 D133 L134 L142	S111-L131 VanDerWaalsContact CB-CD1 3.41Å; R112-L131 HydrophobicContact CB-CD2 3.97Å; D129-L131 HydrophobicContact CB-CD2 4.31Å; D129-L131 PolarHBondContact O-N 3.38Å; L131-D133 PolarHBondContact O-N 2.93Å; L131-D133 VanDerWaalsContact O-N 3.15Å; L131-L134 HydrophobicContact CB-CD1 3.86Å; L131-L134 HydrophobicContact CB-CG 4.14Å; L131-L134 HydrophobicContact CD1-CD1 4.49Å; L131-L134 HydrophobicContact CD2-CD1 4.29Å; L131-L134 HydrophobicContact CG-CD1 4.44Å; L131-L134 WeakPolarHBondContact O-CB 3.41Å; L131-L134 WeakPolarHBondContact O-CG 3.17Å; L131-L134 PolarHBondContact O-N 2.99Å; L131-L134 VanDerWaalsContact O-N 3.12Å; L131-L142 HydrophobicContact CD1-CD2 3.76Å
132	S	93.7	Very high	92.4	Very high	89 Å²	89	75.7 Å²	75.7	62%	0.622	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.4	177.3	67.2	0	0	0	0	113.7	D130	D130-S132 VanDerWaalsContact CG-OG 3.24Å; D130-S132 WeakPolarHBondContact OD1-CB 3.44Å; D130-S132 PolarHBondContact OD1-N 3.12Å; D130-S132 PolarHBondContact OD1-OG 2.96Å; D130-S132 PolarHBondContact OD2-OG 3.43Å
133	D	94.9	Very high	93	Very high	102 Å²	102	71 Å²	71	55%	0.545	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.1	177.2	68.3	-31.4	0	0	0	114.1	R112 L131	R112-D133 IonicContact CZ-OD1 2.73Å; R112-D133 IonicContact CZ-OD2 3.48Å; R112-D133 IonicContact NH1-OD1 2.7Å; R112-D133 PolarHBondContact NH1-OD1 2.93Å; R112-D133 IonicContact NH1-OD2 3.19Å; R112-D133 PolarHBondContact NH1-OD2 3Å; R112-D133 IonicContact NH2-OD1 2.71Å; R112-D133 PolarHBondContact NH2-OD1 3.15Å; R112-D133 IonicContact NH2-OD2 3.78Å; R112-D133 PolarHBondContact NH2-OD2 3.49Å; L131-D133 PolarHBondContact O-N 2.93Å; L131-D133 VanDerWaalsContact O-N 3.15Å
134	L	95.2	Very high	93.8	Very high	8 Å²	8	74.4 Å²	74.4	4%	0.042	41%	0.407	C	S	.	.			trans	-69	137.2	177.2	-63.6	-176.1	0	0	0	111.4	A115 T116 L131 Q138 Q139 L142	A115-L134 HydrophobicContact CB-CD1 3.71Å; A115-L134 HydrophobicContact CB-CD2 4.27Å; T116-L134 HydrophobicContact CG2-CD2 4.2Å; L131-L134 HydrophobicContact CB-CD1 3.86Å; L131-L134 HydrophobicContact CB-CG 4.14Å; L131-L134 HydrophobicContact CD1-CD1 4.49Å; L131-L134 HydrophobicContact CD2-CD1 4.29Å; L131-L134 HydrophobicContact CG-CD1 4.44Å; L131-L134 WeakPolarHBondContact O-CB 3.41Å; L131-L134 WeakPolarHBondContact O-CG 3.17Å; L131-L134 PolarHBondContact O-N 2.99Å; L131-L134 VanDerWaalsContact O-N 3.12Å; L134-Q138 HydrophobicContact CB-CB 4.05Å; L134-Q138 HydrophobicContact CD2-CB 4.2Å; L134-Q139 HydrophobicContact CB-CG 3.89Å; L134-Q139 PolarHBondContact O-NE2 3.48Å; L134-L142 HydrophobicContact CD1-CD2 4.17Å
135	N	97.3	Very high	94.4	Very high	81 Å²	81	77.2 Å²	77.2	43%	0.433	42%	0.416	S	S	.	.			trans	-76.4	170.5	173.5	72	50.6	0	0	0	112.1	M137 Q138 Q139	N135-M137 VanDerWaalsContact C-N 3.32Å; N135-M137 PolarHBondContact O-N 2.98Å; N135-M137 WeakPolarHBondContact OD1-CB 3.05Å; N135-M137 PolarHBondContact OD1-N 3.39Å; N135-Q138 VanDerWaalsContact ND2-CD 3.28Å; N135-Q138 PolarHBondContact ND2-OE1 2.96Å; N135-Q138 PolarHBondContact O-N 2.96Å; N135-Q138 VanDerWaalsContact O-N 3.12Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.28Å; N135-Q138 PolarHBondContact OD1-N 3.21Å; N135-Q139 WeakPolarHBondContact O-CG 3.39Å; N135-Q139 PolarHBondContact O-N 2.68Å
136	A	97.3	Very high	94.9	Very high	77 Å²	77	73.7 Å²	73.7	64%	0.636	40%	0.401	S	S	*	.	H	α-helix	trans	-55.9	-41.2	-176.5	0	0	0	0	0	113.9	Q139 E140	A136-Q139 PolarHBondContact O-N 2.75Å; A136-E140 WeakPolarHBondContact O-CB 3.39Å; A136-E140 PolarHBondContact O-N 3.26Å
137	M	96.8	Very high	95.6	Very high	144 Å²	144	73 Å²	73	71%	0.709	39%	0.388	S	S	*	.	H	α-helix	trans	-68.6	-37.6	179.2	-64.5	176.7	65.3	0	0	111.9	N135 S141	N135-M137 VanDerWaalsContact C-N 3.32Å; N135-M137 PolarHBondContact O-N 2.98Å; N135-M137 WeakPolarHBondContact OD1-CB 3.05Å; N135-M137 PolarHBondContact OD1-N 3.39Å; M137-S141 WeakPolarHBondContact O-CB 3.48Å; M137-S141 PolarHBondContact O-N 3.18Å; M137-S141 PolarHBondContact O-OG 2.76Å
138	Q	97.7	Very high	95.9	Very high	51 Å²	51	69 Å²	69	24%	0.238	37%	0.37	C	S	.	.	H	α-helix	trans	-69	-39.4	177	-69.3	170.5	-32.8	0	0	111.3	A115 L134 N135 S141 L142	A115-Q138 HydrophobicContact CB-CB 4.31Å; L134-Q138 HydrophobicContact CB-CB 4.05Å; L134-Q138 HydrophobicContact CD2-CB 4.2Å; N135-Q138 VanDerWaalsContact ND2-CD 3.28Å; N135-Q138 PolarHBondContact ND2-OE1 2.96Å; N135-Q138 PolarHBondContact O-N 2.96Å; N135-Q138 VanDerWaalsContact O-N 3.12Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.28Å; N135-Q138 PolarHBondContact OD1-N 3.21Å; Q138-S141 PolarHBondContact O-N 3.35Å; Q138-L142 WeakPolarHBondContact O-CB 3.25Å; Q138-L142 PolarHBondContact O-N 2.79Å
139	Q	97.3	Very high	96.2	Very high	102 Å²	102	66.2 Å²	66.2	48%	0.477	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-43.3	174.5	-69.5	178.8	17.3	0	0	111.7	L134 N135 A136 L142 A143	L134-Q139 HydrophobicContact CB-CG 3.89Å; L134-Q139 PolarHBondContact O-NE2 3.48Å; N135-Q139 WeakPolarHBondContact O-CG 3.39Å; N135-Q139 PolarHBondContact O-N 2.68Å; A136-Q139 PolarHBondContact O-N 2.75Å; Q139-L142 PolarHBondContact O-N 3.04Å; Q139-A143 PolarHBondContact O-N 3.27Å
140	E	97.2	Very high	96.4	Very high	143 Å²	143	68.9 Å²	68.9	67%	0.668	37%	0.373	S	S	*	.	H	α-helix	trans	-61.8	-45.9	175	-175.6	174.5	-162.9	0	0	111.4	A136 L142 A143 E144	A136-E140 WeakPolarHBondContact O-CB 3.39Å; A136-E140 PolarHBondContact O-N 3.26Å; E140-L142 VanDerWaalsContact C-N 3.3Å; E140-L142 PolarHBondContact O-N 3.39Å; E140-A143 PolarHBondContact O-N 3.48Å; E140-E144 PolarHBondContact O-N 3.21Å
141	S	96.8	Very high	96.5	Very high	28 Å²	28	71.8 Å²	71.8	20%	0.196	39%	0.386	C	S	.	.	H	α-helix	trans	-58.8	-42.1	176	-58.6	0	0	0	0	111.7	M137 Q138 E144 W145	M137-S141 WeakPolarHBondContact O-CB 3.48Å; M137-S141 PolarHBondContact O-N 3.18Å; M137-S141 PolarHBondContact O-OG 2.76Å; Q138-S141 PolarHBondContact O-N 3.35Å; S141-E144 PolarHBondContact O-N 3.44Å; S141-W145 PolarHBondContact O-N 2.89Å
142	L	97.5	Very high	96.6	Very high	6 Å²	6	75.1 Å²	75.1	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-64.4	-42.5	177.3	-179.5	57.2	0	0	0	112.3	V82 N83 A115 L131 L134 Q138 Q139 E140 E144 W145 E146	V82-L142 HydrophobicContact CG1-CD1 4.1Å; N83-L142 HydrophobicContact CB-CD1 4.08Å; N83-L142 HydrophobicContact CB-CD2 4.17Å; N83-L142 HydrophobicContact CB-CG 3.94Å; A115-L142 HydrophobicContact CB-CB 4.05Å; L131-L142 HydrophobicContact CD1-CD2 3.76Å; L134-L142 HydrophobicContact CD1-CD2 4.17Å; Q138-L142 WeakPolarHBondContact O-CB 3.25Å; Q138-L142 PolarHBondContact O-N 2.79Å; Q139-L142 PolarHBondContact O-N 3.04Å; E140-L142 VanDerWaalsContact C-N 3.3Å; E140-L142 PolarHBondContact O-N 3.39Å; L142-E144 VanDerWaalsContact C-N 3.31Å; L142-E144 PolarHBondContact O-N 3.47Å; L142-W145 PolarHBondContact O-N 2.8Å; L142-E146 PolarHBondContact O-N 3.19Å
143	A	97.3	Very high	96.7	Very high	43 Å²	43	71.3 Å²	71.3	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-65	-36.3	177.1	0	0	0	0	0	112.1	Q139 E140 E146 T147	Q139-A143 PolarHBondContact O-N 3.27Å; E140-A143 PolarHBondContact O-N 3.48Å; A143-E146 PolarHBondContact O-N 2.84Å; A143-T147 PolarHBondContact O-N 2.9Å; A143-T147 PolarHBondContact O-OG1 2.78Å
144	E	97.7	Very high	96.7	Very high	117 Å²	117	69 Å²	69	55%	0.547	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-46.4	173.6	-169.4	-179.1	178.8	0	0	111.1	E140 S141 L142 E146 T147 Q148	E140-E144 PolarHBondContact O-N 3.21Å; S141-E144 PolarHBondContact O-N 3.44Å; L142-E144 VanDerWaalsContact C-N 3.31Å; L142-E144 PolarHBondContact O-N 3.47Å; E144-E146 PolarHBondContact O-N 3.35Å; E144-T147 WeakPolarHBondContact O-CB 3.46Å; E144-T147 PolarHBondContact O-N 3.43Å; E144-T147 VanDerWaalsContact O-N 3.15Å; E144-Q148 WeakPolarHBondContact O-CG 3.22Å; E144-Q148 PolarHBondContact O-N 3.37Å; E144-Q148 PolarHBondContact OE1-NE2 3.5Å
145	W	97.9	Very high	96.7	Very high	72 Å²	72	71.4 Å²	71.4	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-49	174.2	-80.5	118.2	0	0	0	111.5	V82 L114 F117 S141 L142 T147 Q148 F149	V82-W145 HydrophobicContact CG1-CB 4.32Å; L114-W145 HydrophobicContact CB-CG 4.07Å; L114-W145 HydrophobicContact CD1-CB 4.31Å; L114-W145 HydrophobicContact CD1-CG 4.38Å; L114-W145 HydrophobicContact CD2-CD2 4.09Å; L114-W145 HydrophobicContact CD2-CG 4.35Å; L114-W145 HydrophobicContact CD2-CZ2 4.48Å; L114-W145 PolarHBondContact O-NE1 3.48Å; F117-W145 HydrophobicContact CE1-CZ2 4.44Å; S141-W145 PolarHBondContact O-N 2.89Å; L142-W145 PolarHBondContact O-N 2.8Å; W145-T147 PolarHBondContact O-N 2.89Å; W145-Q148 PolarHBondContact O-N 3.47Å; W145-Q148 VanDerWaalsContact O-N 3.15Å; W145-F149 HydrophobicContact CE3-CD2 4.22Å; W145-F149 AromaticContact CE3-CE2 3.79Å; W145-F149 HydrophobicContact CE3-CE2 3.79Å; W145-F149 HydrophobicContact CZ3-CE2 4.29Å; W145-F149 VanDerWaalsContact O-CD2 3.24Å; W145-F149 WeakPolarHBondContact O-CD2 3.31Å; W145-F149 PolarHBondContact O-N 3.25Å
146	E	97.5	Very high	96.7	Very high	34 Å²	34	67.8 Å²	67.8	16%	0.159	35%	0.348	C	S	.	.	H	α-helix	trans	-53.2	-43.2	175.9	-174.3	-159.7	146.3	0	0	112.2	V82 N83 K85 L142 A143 E144 F149 T150	V82-E146 HydrophobicContact CG1-CB 4.38Å; N83-E146 HydrophobicContact CB-CB 4.21Å; N83-E146 HydrophobicContact CB-CG 4.23Å; N83-E146 PolarHBondContact ND2-OE2 2.87Å; K85-E146 HydrophobicContact CD-CG 4.05Å; K85-E146 WeakPolarHBondContact CD-OE1 3.28Å; K85-E146 WeakPolarHBondContact CE-OE1 3.4Å; K85-E146 IonicContact NZ-OE1 2.8Å; K85-E146 PolarHBondContact NZ-OE1 2.84Å; L142-E146 PolarHBondContact O-N 3.19Å; A143-E146 PolarHBondContact O-N 2.84Å; E144-E146 PolarHBondContact O-N 3.35Å; E146-F149 PolarHBondContact O-N 2.83Å; E146-T150 WeakPolarHBondContact O-CB 3.31Å; E146-T150 PolarHBondContact O-N 3.16Å; E146-T150 PolarHBondContact O-OG1 3.47Å
147	T	97.3	Very high	96.6	Very high	70 Å²	70	64.1 Å²	64.1	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-48	178.2	-59.9	0	0	0	0	111.3	A143 E144 W145 F149 T150 M151	A143-T147 PolarHBondContact O-N 2.9Å; A143-T147 PolarHBondContact O-OG1 2.78Å; E144-T147 WeakPolarHBondContact O-CB 3.46Å; E144-T147 PolarHBondContact O-N 3.43Å; E144-T147 VanDerWaalsContact O-N 3.15Å; W145-T147 PolarHBondContact O-N 2.89Å; T147-F149 VanDerWaalsContact C-N 3.3Å; T147-F149 PolarHBondContact O-N 3.27Å; T147-T150 PolarHBondContact O-N 3.4Å; T147-M151 HydrophobicContact CG2-CE 3.71Å; T147-M151 HydrophobicContact CG2-SD 4.38Å; T147-M151 WeakPolarHBondContact O-CG 3.27Å; T147-M151 PolarHBondContact O-N 3.08Å
148	Q	96.7	Very high	96.6	Very high	81 Å²	81	61.4 Å²	61.4	38%	0.379	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-40.3	177.4	-68	-179	26.6	0	0	111.7	E144 W145 M151 K152	E144-Q148 WeakPolarHBondContact O-CG 3.22Å; E144-Q148 PolarHBondContact O-N 3.37Å; E144-Q148 PolarHBondContact OE1-NE2 3.5Å; W145-Q148 PolarHBondContact O-N 3.47Å; W145-Q148 VanDerWaalsContact O-N 3.15Å; Q148-M151 PolarHBondContact O-N 2.79Å; Q148-K152 WeakPolarHBondContact O-CB 3.3Å; Q148-K152 PolarHBondContact O-N 3.48Å
149	F	97	Very high	96.5	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-40.3	177.2	-89.5	-97.8	0	0	0	112.2	M80 V82 F87 V89 Y96 L114 W145 E146 T147 M151 K152 Y153	M80-F149 HydrophobicContact CE-CD1 4.02Å; M80-F149 HydrophobicContact CE-CE1 3.01Å; M80-F149 HydrophobicContact CE-CE2 4.34Å; M80-F149 HydrophobicContact CE-CZ 3.21Å; V82-F149 HydrophobicContact CG2-CD1 4.19Å; V82-F149 HydrophobicContact CG2-CD2 4.37Å; V82-F149 HydrophobicContact CG2-CE1 4.45Å; V82-F149 HydrophobicContact CG2-CG 4.18Å; F87-F149 HydrophobicContact CB-CD1 4.46Å; F87-F149 HydrophobicContact CD1-CB 4.37Å; F87-F149 HydrophobicContact CD2-CB 4.05Å; F87-F149 HydrophobicContact CD2-CD1 4.3Å; F87-F149 HydrophobicContact CE1-CB 4.27Å; F87-F149 HydrophobicContact CE2-CB 3.94Å; F87-F149 HydrophobicContact CG-CB 4.26Å; F87-F149 HydrophobicContact CG-CD1 4.38Å; F87-F149 HydrophobicContact CZ-CB 4.05Å; V89-F149 HydrophobicContact CG1-CD1 4.11Å; V89-F149 HydrophobicContact CG1-CE1 3.8Å; Y96-F149 HydrophobicContact CE1-CZ 4.38Å; Y96-F149 WeakPolarHBondContact OH-CZ 3.21Å; L114-F149 HydrophobicContact CD1-CE2 4.42Å; W145-F149 HydrophobicContact CE3-CD2 4.22Å; W145-F149 AromaticContact CE3-CE2 3.79Å; W145-F149 HydrophobicContact CE3-CE2 3.79Å; W145-F149 HydrophobicContact CZ3-CE2 4.29Å; W145-F149 VanDerWaalsContact O-CD2 3.24Å; W145-F149 WeakPolarHBondContact O-CD2 3.31Å; W145-F149 PolarHBondContact O-N 3.25Å; E146-F149 PolarHBondContact O-N 2.83Å; T147-F149 VanDerWaalsContact C-N 3.3Å; T147-F149 PolarHBondContact O-N 3.27Å; F149-M151 VanDerWaalsContact C-N 3.31Å; F149-M151 PolarHBondContact O-N 2.91Å; F149-K152 PolarHBondContact O-N 3.4Å; F149-Y153 HydrophobicContact CB-CD2 4.39Å; F149-Y153 AromaticContact CD1-CD2 3.31Å; F149-Y153 HydrophobicContact CD1-CD2 3.31Å; F149-Y153 AromaticContact CD1-CE2 3.65Å; F149-Y153 HydrophobicContact CD1-CE2 3.65Å; F149-Y153 HydrophobicContact CD1-CG 4.35Å; F149-Y153 AromaticContact CE1-CD2 3.62Å; F149-Y153 HydrophobicContact CE1-CD2 3.62Å; F149-Y153 AromaticContact CE1-CE2 3.46Å; F149-Y153 HydrophobicContact CE1-CE2 3.46Å; F149-Y153 VanDerWaalsContact CE1-CE2 3.46Å; F149-Y153 HydrophobicContact CG-CD2 4.01Å; F149-Y153 HydrophobicContact CG-CE2 4.34Å; F149-Y153 HydrophobicContact CZ-CE2 4.1Å; F149-Y153 WeakPolarHBondContact O-CA 3.42Å; F149-Y153 WeakPolarHBondContact O-CB 3.4Å; F149-Y153 PolarHBondContact O-N 2.82Å
150	T	95.9	Very high	96.5	Very high	67 Å²	67	55.3 Å²	55.3	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-38.4	175.3	-57.2	0	0	0	0	112	E146 T147	E146-T150 WeakPolarHBondContact O-CB 3.31Å; E146-T150 PolarHBondContact O-N 3.16Å; E146-T150 PolarHBondContact O-OG1 3.47Å; T147-T150 PolarHBondContact O-N 3.4Å
151	M	94.6	Very high	96.2	Very high	155 Å²	155	54.7 Å²	54.7	76%	0.764	27%	0.27	S	S	*	.	H	α-helix	trans	-73.3	-35.9	176.1	-67.8	178.1	179.5	0	0	112.4	T147 Q148 F149	T147-M151 HydrophobicContact CG2-CE 3.71Å; T147-M151 HydrophobicContact CG2-SD 4.38Å; T147-M151 WeakPolarHBondContact O-CG 3.27Å; T147-M151 PolarHBondContact O-N 3.08Å; Q148-M151 PolarHBondContact O-N 2.79Å; F149-M151 VanDerWaalsContact C-N 3.31Å; F149-M151 PolarHBondContact O-N 2.91Å
152	K	95.1	Very high	95.9	Very high	102 Å²	102	58.4 Å²	58.4	44%	0.443	29%	0.293	S	S	.	.	H	α-helix	trans	-96.3	-23.3	-168.6	-172.7	176.7	177.2	-167.2	0	114.5	R91 Q148 F149	R91-K152 PolarHBondContact NE-O 2.78Å; R91-K152 VanDerWaalsContact NE-O 3.13Å; R91-K152 PolarHBondContact NH1-O 3.01Å; R91-K152 VanDerWaalsContact NH1-O 3.17Å; R91-K152 PolarHBondContact NH2-O 3.05Å; Q148-K152 WeakPolarHBondContact O-CB 3.3Å; Q148-K152 PolarHBondContact O-N 3.48Å; F149-K152 PolarHBondContact O-N 3.4Å
153	Y	95.9	Very high	95.5	Very high	9 Å²	9	62.2 Å²	62.2	4%	0.035	33%	0.333	C	S	.	.	S	Bend	trans	-130.6	159.2	-172.6	-61.2	-71.5	0	0	0	111.4	V89 R91 Y96 F149 Y155	V89-Y153 HydrophobicContact CB-CD1 4.15Å; V89-Y153 HydrophobicContact CB-CE1 4.2Å; V89-Y153 HydrophobicContact CB-CG 4.49Å; V89-Y153 HydrophobicContact CG1-CD1 3.92Å; V89-Y153 HydrophobicContact CG1-CD2 3.91Å; V89-Y153 HydrophobicContact CG1-CE1 4.23Å; V89-Y153 HydrophobicContact CG1-CE2 4.17Å; V89-Y153 HydrophobicContact CG1-CG 3.76Å; R91-Y153 HydrophobicContact CG-CD1 3.93Å; R91-Y153 HydrophobicContact CG-CE1 3.95Å; R91-Y153 VanDerWaalsContact NH2-CA 3.25Å; Y96-Y153 HydrophobicContact CE2-CE1 4.37Å; Y96-Y153 HydrophobicContact CE2-CE2 4.39Å; Y96-Y153 AromaticContact CE2-CZ 3.78Å; Y96-Y153 VanDerWaalsContact CE2-OH 3.24Å; Y96-Y153 WeakPolarHBondContact CE2-OH 3.36Å; Y96-Y153 PolarHBondContact OH-OH 2.93Å; Y96-Y153 VanDerWaalsContact OH-OH 3.08Å; F149-Y153 HydrophobicContact CB-CD2 4.39Å; F149-Y153 AromaticContact CD1-CD2 3.31Å; F149-Y153 HydrophobicContact CD1-CD2 3.31Å; F149-Y153 AromaticContact CD1-CE2 3.65Å; F149-Y153 HydrophobicContact CD1-CE2 3.65Å; F149-Y153 HydrophobicContact CD1-CG 4.35Å; F149-Y153 AromaticContact CE1-CD2 3.62Å; F149-Y153 HydrophobicContact CE1-CD2 3.62Å; F149-Y153 AromaticContact CE1-CE2 3.46Å; F149-Y153 HydrophobicContact CE1-CE2 3.46Å; F149-Y153 VanDerWaalsContact CE1-CE2 3.46Å; F149-Y153 HydrophobicContact CG-CD2 4.01Å; F149-Y153 HydrophobicContact CG-CE2 4.34Å; F149-Y153 HydrophobicContact CZ-CE2 4.1Å; F149-Y153 WeakPolarHBondContact O-CA 3.42Å; F149-Y153 WeakPolarHBondContact O-CB 3.4Å; F149-Y153 PolarHBondContact O-N 2.82Å; Y153-Y155 PolarHBondContact O-N 3.07Å
154	D	95	Very high	95.2	Very high	52 Å²	52	63.9 Å²	63.9	28%	0.278	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.5	177.3	-66.9	-64.5	0	0	0	109	K56 F87 D88 I156	K56-D154 IonicContact NZ-OD1 3.58Å; K56-D154 PolarHBondContact NZ-OD1 3.06Å; K56-D154 IonicContact NZ-OD2 2.77Å; F87-D154 WeakPolarHBondContact CA-O 3.4Å; D88-D154 HydrophobicContact CB-CB 4.44Å; D88-D154 PolarHBondContact N-O 3.17Å; D154-I156 HydrophobicContact CB-CD1 4.04Å
155	Y	96	Very high	94.8	Very high	60 Å²	60	66.5 Å²	66.5	24%	0.235	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.7	172.2	170	-103.2	0	0	0	110.1	K85 F87 Y153 G157 K158	K85-Y155 HydrophobicContact CB-CD2 4.02Å; K85-Y155 HydrophobicContact CB-CE2 3.72Å; K85-Y155 HydrophobicContact CD-CD2 4.33Å; K85-Y155 HydrophobicContact CD-CE2 4.08Å; K85-Y155 HydrophobicContact CG-CD2 4.35Å; K85-Y155 HydrophobicContact CG-CE2 3.78Å; F87-Y155 HydrophobicContact CE1-CD2 4.09Å; F87-Y155 HydrophobicContact CZ-CD2 4.4Å; Y153-Y155 PolarHBondContact O-N 3.07Å; Y155-G157 WeakPolarHBondContact CE2-O 3.31Å; Y155-G157 VanDerWaalsContact OH-C 3.24Å; Y155-G157 WeakPolarHBondContact OH-CA 3.37Å; Y155-G157 PolarHBondContact OH-O 3.33Å; Y155-K158 WeakPolarHBondContact OH-CG 3.44Å
156	I	95.4	Very high	94.5	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-32.3	-174.8	-51.4	-51.2	0	0	0	111.6	M57 K58 K59 K60 F62 L79 V86 D88 D154	M57-I156 HydrophobicContact CB-CD1 4.03Å; M57-I156 HydrophobicContact CB-CG2 4.4Å; M57-I156 HydrophobicContact CG-CG2 4.15Å; M57-I156 HydrophobicContact SD-CG2 4.04Å; K58-I156 WeakPolarHBondContact O-CG2 3.49Å; K59-I156 CarbonylContact C-O 3.58Å; K59-I156 WeakPolarHBondContact CA-O 3.36Å; K59-I156 VanDerWaalsContact CB-O 3.26Å; K59-I156 WeakPolarHBondContact CB-O 3.17Å; K60-I156 PolarHBondContact N-O 2.81Å; F62-I156 HydrophobicContact CE2-CB 4.39Å; F62-I156 HydrophobicContact CE2-CG2 3.73Å; F62-I156 HydrophobicContact CZ-CG2 4.05Å; L79-I156 HydrophobicContact CD2-CG1 4.45Å; V86-I156 PolarHBondContact O-N 3.09Å; D88-I156 HydrophobicContact CB-CD1 3.84Å; D88-I156 HydrophobicContact CB-CG1 3.79Å; D154-I156 HydrophobicContact CB-CD1 4.04Å
157	G	96	Very high	94.1	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164	-162.3	177.1	0	0	0	0	0	112.4	K60 V86 Y155 Y169	K60-G157 WeakPolarHBondContact O-CA 3.43Å; V86-G157 WeakPolarHBondContact CB-O 3.49Å; V86-G157 PolarHBondContact N-O 3.38Å; V86-G157 PolarHBondContact O-N 3.3Å; Y155-G157 WeakPolarHBondContact CE2-O 3.31Å; Y155-G157 VanDerWaalsContact OH-C 3.24Å; Y155-G157 WeakPolarHBondContact OH-CA 3.37Å; Y155-G157 PolarHBondContact OH-O 3.33Å; G157-Y169 VanDerWaalsContact CA-OH 3.26Å; G157-Y169 WeakPolarHBondContact CA-OH 3.5Å
158	K	96.7	Very high	93.5	Very high	87 Å²	87	73.6 Å²	73.6	38%	0.378	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	149.5	-178.3	-60.1	176.8	-176.2	171.2	0	111.4	D61 F62 G84 Y155 Y169	D61-K158 WeakPolarHBondContact CA-O 3.39Å; D61-K158 WeakPolarHBondContact OD1-CB 3.42Å; D61-K158 PolarHBondContact OD1-N 2.88Å; F62-K158 PolarHBondContact N-O 3.17Å; G84-K158 CarbonylContact O-C 3.29Å; G84-K158 WeakPolarHBondContact O-CA 2.99Å; Y155-K158 WeakPolarHBondContact OH-CG 3.44Å; K158-Y169 PolarHBondContact N-OH 3.45Å
159	L	96.8	Very high	93	Very high	10 Å²	10	72.5 Å²	72.5	5%	0.052	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-85	114	162.1	-176.3	71.1	0	0	0	107.8	F62 L64 L67 A81 G84 V86 D109	F62-L159 CarbonylContact O-C 3.58Å; F62-L159 WeakPolarHBondContact O-CA 3.46Å; L64-L159 HydrophobicContact CD2-CD1 3.91Å; L64-L159 HydrophobicContact CD2-CD2 3.94Å; L64-L159 HydrophobicContact CD2-CG 4.5Å; L64-L159 HydrophobicContact CG-CD1 4.08Å; L64-L159 HydrophobicContact CG-CD2 4.41Å; L67-L159 HydrophobicContact CD2-CD1 4.16Å; A81-L159 HydrophobicContact CB-CB 4Å; A81-L159 HydrophobicContact CB-CD1 4.36Å; A81-L159 HydrophobicContact CB-CD2 3.73Å; A81-L159 HydrophobicContact CB-CG 4.26Å; G84-L159 PolarHBondContact O-N 2.99Å; V86-L159 HydrophobicContact CG2-CB 4.08Å; D109-L159 HydrophobicContact CB-CD2 3.8Å
160	L	95.4	Very high	92.1	Very high	16 Å²	16	76 Å²	76	8%	0.084	41%	0.405	C	S	.	.			trans	-71.2	133.3	-175.8	-63.6	175.5	0	0	0	111.2	D61 F62 T63 E164 P166	D61-L160 HydrophobicContact CB-CD1 4.04Å; D61-L160 HydrophobicContact CB-CD2 3.81Å; D61-L160 HydrophobicContact CB-CG 3.86Å; F62-L160 PolarHBondContact O-N 3.44Å; T63-L160 HydrophobicContact CG2-CD1 4.28Å; L160-E164 HydrophobicContact CB-CB 4.44Å; L160-E164 HydrophobicContact CD2-CB 4.24Å; L160-E164 HydrophobicContact CD2-CG 3.99Å; L160-P166 HydrophobicContact CD1-CB 4.41Å; L160-P166 HydrophobicContact CD1-CG 3.96Å
161	K	92.8	Very high	90.8	Very high	130 Å²	130	79.1 Å²	79.1	57%	0.565	42%	0.419	S	S	*	.			trans	-72.6	157.7	167.7	-57.4	-169	179.2	177.9	0	110.4	H128 G163 E164	H128-K161 WeakPolarHBondContact NE2-CG 3.41Å; K161-G163 PolarHBondContact O-N 3.29Å; K161-E164 HydrophobicContact CB-CB 4.28Å; K161-E164 WeakPolarHBondContact CG-OE2 2.95Å; K161-E164 PolarHBondContact N-OE2 3.34Å; K161-E164 WeakPolarHBondContact O-CB 3.19Å; K161-E164 PolarHBondContact O-N 3.42Å
162	P	90.1	Very high	89.2	Confident	106 Å²	106	79.5 Å²	79.5	69%	0.688	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	115.2	173.4	-25.7	34.4	0	0	0	111.2	H128	H128-P162 HydrophobicContact CB-CG 3.75Å
163	G	87.8	Confident	87.4	Confident	85 Å²	85	77.3 Å²	77.3	88%	0.876	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	4.9	-179.6	0	0	0	0	0	115.9	K161	K161-G163 PolarHBondContact O-N 3.29Å
164	E	90.8	Very high	85.5	Confident	79 Å²	79	81.2 Å²	81.2	37%	0.369	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-80.1	134.8	171.8	-169.5	173.8	-177.4	0	0	110.6	L160 K161	L160-E164 HydrophobicContact CB-CB 4.44Å; L160-E164 HydrophobicContact CD2-CB 4.24Å; L160-E164 HydrophobicContact CD2-CG 3.99Å; K161-E164 HydrophobicContact CB-CB 4.28Å; K161-E164 WeakPolarHBondContact CG-OE2 2.95Å; K161-E164 PolarHBondContact N-OE2 3.34Å; K161-E164 WeakPolarHBondContact O-CB 3.19Å; K161-E164 PolarHBondContact O-N 3.42Å
165	E	89.9	Confident	83.2	Confident	171 Å²	171	80.6 Å²	80.6	80%	0.799	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-81.4	142.6	176.6	-65.6	-166.2	166	0	0	111.2
166	P	90.9	Very high	80.9	Confident	95 Å²	95	84.9 Å²	84.9	62%	0.617	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-59.5	138.6	175.1	-21.1	31.5	0	0	0	112.1	D61 L160	D61-P166 HydrophobicContact CB-CB 4.45Å; L160-P166 HydrophobicContact CD1-CB 4.41Å; L160-P166 HydrophobicContact CD1-CG 3.96Å
167	S	89.3	Confident	78.8	Confident	43 Å²	43	90.1 Å²	90.1	30%	0.301	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-79.5	143.6	171.1	58.2	0	0	0	0	111.9	D61 Y169	D61-S167 PolarHBondContact OD1-OG 3.25Å; D61-S167 WeakPolarHBondContact OD2-CB 3.39Å; D61-S167 PolarHBondContact OD2-N 2.85Å; D61-S167 PolarHBondContact OD2-OG 2.84Å; S167-Y169 WeakPolarHBondContact O-CD2 3.49Å; S167-Y169 WeakPolarHBondContact OG-CE2 3.41Å; S167-Y169 PolarHBondContact OG-OH 3.41Å
168	E	86.1	Confident	76.4	Confident	187 Å²	187	98.5 Å²	98.5	87%	0.874	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-82.2	121.9	172	-70.3	-170.7	169.7	0	0	110
169	Y	85.6	Confident	73.5	Confident	59 Å²	59	103.6 Å²	103.6	23%	0.231	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-96.7	123.8	173	-65.2	-82.7	0	0	0	109.1	K59 D61 G157 K158 S167	K59-Y169 HydrophobicContact CB-CD1 3.77Å; K59-Y169 HydrophobicContact CB-CD2 4.31Å; K59-Y169 HydrophobicContact CB-CE1 4.25Å; K59-Y169 HydrophobicContact CB-CG 3.79Å; K59-Y169 HydrophobicContact CD-CD1 4.36Å; D61-Y169 VanDerWaalsContact OD1-CE2 3.29Å; D61-Y169 WeakPolarHBondContact OD1-CE2 3.04Å; D61-Y169 VanDerWaalsContact OD1-CZ 3.29Å; D61-Y169 PolarHBondContact OD1-OH 3.35Å; G157-Y169 VanDerWaalsContact CA-OH 3.26Å; G157-Y169 WeakPolarHBondContact CA-OH 3.5Å; K158-Y169 PolarHBondContact N-OH 3.45Å; S167-Y169 WeakPolarHBondContact O-CD2 3.49Å; S167-Y169 WeakPolarHBondContact OG-CE2 3.41Å; S167-Y169 PolarHBondContact OG-OH 3.41Å
170	T	78.5	Confident	70.7	Confident	79 Å²	79	108.3 Å²	108.3	49%	0.485	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-91.3	150.3	173.7	62.3	0	0	0	0	110.2	E172 D173	T170-E172 PolarHBondContact O-N 3.45Å; T170-D173 PolarHBondContact O-N 2.63Å
171	D	68.4	Low	67.9	Low	132 Å²	132	118.5 Å²	118.5	71%	0.706	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-60.3	-16	-179.4	-65.5	-40.6	0	0	0	113	D173 E174	D171-D173 VanDerWaalsContact C-N 3.33Å; D171-D173 PolarHBondContact O-N 3.39Å; D171-E174 PolarHBondContact O-N 3.2Å
172	E	60.2	Low	66.7	Low	164 Å²	164	118 Å²	118	77%	0.766	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-69.4	-27.1	175.9	-61.4	-171.8	171.2	0	0	113.2	T170 E174 G175	T170-E172 PolarHBondContact O-N 3.45Å; E172-E174 PolarHBondContact O-N 3.02Å; E172-G175 PolarHBondContact O-N 3.02Å; E172-G175 VanDerWaalsContact O-N 3.15Å
173	D	57.6	Low	65.4	Low	55 Å²	55	118.6 Å²	118.6	29%	0.294	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-78.1	-5.7	180	-78.8	-35.3	0	0	0	113.6	K59 T170 D171 G175 K176	K59-D173 PolarHBondContact NZ-O 2.97Å; T170-D173 PolarHBondContact O-N 2.63Å; D171-D173 VanDerWaalsContact C-N 3.33Å; D171-D173 PolarHBondContact O-N 3.39Å; D173-G175 VanDerWaalsContact C-N 3.32Å; D173-K176 IonicContact OD1-NZ 2.89Å; D173-K176 PolarHBondContact OD1-NZ 3.06Å
174	E	56	Low	64.2	Low	91 Å²	91	120.4 Å²	120.4	43%	0.425	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-80.2	-14.3	167	-61.2	-161.9	165.6	0	0	112.6	D171 E172	D171-E174 PolarHBondContact O-N 3.2Å; E172-E174 PolarHBondContact O-N 3.02Å
175	G	46.9	Very low	62.6	Low	39 Å²	39	122.9 Å²	122.9	40%	0.402	63%	0.634	S	S	.	*	S	Bend	trans	-89.3	-21.3	-174.6	0	0	0	0	0	115.7	E172 D173 K178	E172-G175 PolarHBondContact O-N 3.02Å; E172-G175 VanDerWaalsContact O-N 3.15Å; D173-G175 VanDerWaalsContact C-N 3.32Å; G175-K178 PolarHBondContact O-N 3.22Å
176	K	48.5	Very low	60.9	Low	150 Å²	150	119.9 Å²	119.9	65%	0.652	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-72.3	-30	-178.2	-72.1	176.5	-171.3	142.6	0	112.9	D173 K178 K179	D173-K176 IonicContact OD1-NZ 2.89Å; D173-K176 PolarHBondContact OD1-NZ 3.06Å; K176-K178 PolarHBondContact O-N 3.29Å; K176-K179 PolarHBondContact O-N 3.27Å
177	D	49.9	Very low	58.9	Low	114 Å²	114	121.5 Å²	121.5	61%	0.61	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-74	-7.5	178.4	-60.1	-38.3	0	0	0	112.9	K59	K59-D177 IonicContact NZ-OD2 3.03Å; K59-D177 PolarHBondContact NZ-OD2 2.7Å
178	K	46.9	Very low	56.7	Low	177 Å²	177	127.1 Å²	127.1	77%	0.77	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-90.4	-3.1	178.4	-69.9	-176.9	180	170	0	114.6	G175 K176	G175-K178 PolarHBondContact O-N 3.22Å; K176-K178 PolarHBondContact O-N 3.29Å
179	K	34.5	Very low	54.5	Low	193 Å²	193	122.5 Å²	122.5	84%	0.839	63%	0.629	S	S	*	*	S	Bend	trans	-117.4	8	-165.5	-123.5	177	-176.3	177.9	0	115.8	K176	K176-K179 PolarHBondContact O-N 3.27Å
180	S	38.7	Very low	51.9	Low	110 Å²	110	127.8 Å²	127.8	77%	0.769	66%	0.662	S	S	*	*			trans	-120	55.5	179.3	59.5	0	0	0	0	111.7
181	D	36.2	Very low	49.5	Very low	230 Å²	230	132.3 Å²	132.3	100%	1.23	68%	0.678	S	S	*	*			trans	-127.9	0	164.1	-148.9	-12.6	0	0	0	107.6

Retrieved 181 of 181 residues in 138.6 ms (Link to these results)

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