A0A3B3UZ73_9TELE Loading...

Kelch-like protein 21

AlphaFold DB , UniProt , Accession A0A3B3UZ73, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 611 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	41.8	Very low	50.2	Low	237 Å²	237	152.5 Å²	152.5	100%	1.167	81%	0.813	S	S	*	*				0	115.2	0	-78.5	-177.3	-177.7	0	0	107.5
2	E	40.2	Very low	51	Low	194 Å²	194	148.1 Å²	148.1	91%	0.907	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73.6	149	174.2	-75.2	-175.7	148.4	0	0	111.3
3	K	37.9	Very low	52.5	Low	183 Å²	183	150.4 Å²	150.4	80%	0.796	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65	131.5	-178.1	-90.3	-179.6	173.3	177.8	0	110.9	V5	K3-V5 PolarHBondContact O-N 3.25Å
4	P	45.8	Very low	53.8	Low	74 Å²	74	145.4 Å²	145.4	48%	0.481	79%	0.787	S	S	.	*	P	Polyproline II helix	trans	-71.6	127.7	167.5	29.5	-30.1	0	0	0	109.4	L6 F16	P4-L6 PolarHBondContact O-N 3.36Å; P4-F16 HydrophobicContact CG-CE1 4.02Å; P4-F16 HydrophobicContact CG-CZ 3.84Å
5	V	52.9	Low	55.7	Low	148 Å²	148	147.9 Å²	147.9	90%	0.897	79%	0.788	S	S	*	*			trans	-78	102.6	171.7	-179.7	0	0	0	0	107.8	K3	K3-V5 PolarHBondContact O-N 3.25Å
6	L	53.7	Low	57.1	Low	123 Å²	123	146 Å²	146	64%	0.644	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-101.4	123.4	172	-91.7	149.2	0	0	0	109.5	P4 T8	P4-L6 PolarHBondContact O-N 3.36Å; L6-T8 PolarHBondContact O-N 2.99Å
7	Q	53.9	Low	58.8	Low	191 Å²	191	141.8 Å²	141.8	89%	0.893	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-57.6	120	168.4	-79.1	176.7	-15	0	0	109.4	Q9	Q7-Q9 PolarHBondContact O-N 2.94Å
8	T	49.2	Very low	60.2	Low	136 Å²	136	140.5 Å²	140.5	83%	0.834	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-74	117.9	-173.3	46.7	0	0	0	0	112	L6	L6-T8 PolarHBondContact O-N 2.99Å
9	Q	55.5	Low	61.7	Low	145 Å²	145	136.3 Å²	136.3	68%	0.678	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-88.3	150.7	153.8	-76.5	-168.5	-4.4	0	0	110.2	Q7 S11	Q7-Q9 PolarHBondContact O-N 2.94Å; Q9-S11 PolarHBondContact O-N 3.04Å
10	P	59.6	Low	63	Low	142 Å²	142	135.3 Å²	135.3	92%	0.922	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	6	-163.5	-13.9	29.5	0	0	0	116.8
11	S	61.3	Low	64.1	Low	104 Å²	104	131.5 Å²	131.5	73%	0.727	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	12.2	-172.2	54.7	0	0	0	0	114.9	Q9	Q9-S11 PolarHBondContact O-N 3.04Å
12	T	60.2	Low	66.1	Low	100 Å²	100	126.6 Å²	126.6	61%	0.613	69%	0.686	S	S	*	*			trans	-130.4	124.5	178.9	53.5	0	0	0	0	111.7	P14	T12-P14 WeakPolarHBondContact O-CD 3.33Å
13	L	70.3	Confident	68.4	Low	178 Å²	178	120.4 Å²	120.4	93%	0.932	66%	0.659	S	S	*	*			trans	-105.8	98.6	172.6	-88.6	158.6	0	0	0	108.6	F15	L13-F15 PolarHBondContact O-N 2.77Å
14	P	71.4	Confident	70.9	Confident	81 Å²	81	116.2 Å²	116.2	53%	0.526	65%	0.645	S	S	.	*			trans	-73.9	115.4	177.1	30	-33.5	0	0	0	110.3	T12 F16	T12-P14 WeakPolarHBondContact O-CD 3.33Å; P14-F16 HydrophobicContact CB-CD2 4.42Å; P14-F16 HydrophobicContact CB-CE2 3.63Å; P14-F16 HydrophobicContact CB-CZ 4.11Å; P14-F16 HydrophobicContact CG-CE2 4.12Å
15	F	81.6	Confident	73	Confident	183 Å²	183	115.5 Å²	115.5	80%	0.803	64%	0.636	S	S	*	*			trans	-91.4	128.9	175	175.8	-99.9	0	0	0	110.6	L13 D17	L13-F15 PolarHBondContact O-N 2.77Å; F15-D17 HydrophobicContact CE1-CB 3.89Å; F15-D17 HydrophobicContact CZ-CB 4.15Å
16	F	77.9	Confident	74.7	Confident	117 Å²	117	114.1 Å²	114.1	51%	0.513	62%	0.615	S	S	.	*			trans	-126.3	111.4	178.7	-64.2	-84.8	0	0	0	109.5	P4 P14	P4-F16 HydrophobicContact CG-CE1 4.02Å; P4-F16 HydrophobicContact CG-CZ 3.84Å; P14-F16 HydrophobicContact CB-CD2 4.42Å; P14-F16 HydrophobicContact CB-CE2 3.63Å; P14-F16 HydrophobicContact CB-CZ 4.11Å; P14-F16 HydrophobicContact CG-CE2 4.12Å
17	D	85.9	Confident	76.4	Confident	75 Å²	75	109.5 Å²	109.5	40%	0.401	60%	0.597	S	S	.	*			trans	-87.8	108.7	170.9	177	14.8	0	0	0	110	F15 S19 H20	F15-D17 HydrophobicContact CE1-CB 3.89Å; F15-D17 HydrophobicContact CZ-CB 4.15Å; D17-S19 PolarHBondContact O-N 3.04Å; D17-S19 WeakPolarHBondContact OD1-CA 3.38Å; D17-S19 WeakPolarHBondContact OD1-CB 3.38Å; D17-S19 PolarHBondContact OD1-N 3.17Å; D17-H20 HydrophobicContact CB-CB 4.09Å; D17-H20 WeakPolarHBondContact O-CB 3.15Å; D17-H20 PolarHBondContact O-N 3.41Å; D17-H20 PolarHBondContact OD2-N 3.48Å
18	S	83.7	Confident	78.2	Confident	118 Å²	118	102.4 Å²	102.4	83%	0.825	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-20.3	177.4	53.3	0	0	0	0	113.5
19	S	88.8	Confident	80.1	Confident	60 Å²	60	99.6 Å²	99.6	42%	0.42	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.8	-178.9	-53.5	0	0	0	0	112.8	D17 A21 F22 N23	D17-S19 PolarHBondContact O-N 3.04Å; D17-S19 WeakPolarHBondContact OD1-CA 3.38Å; D17-S19 WeakPolarHBondContact OD1-CB 3.38Å; D17-S19 PolarHBondContact OD1-N 3.17Å; S19-A21 PolarHBondContact O-N 3.4Å; S19-F22 PolarHBondContact O-N 3.05Å; S19-N23 WeakPolarHBondContact O-CB 3.4Å; S19-N23 PolarHBondContact O-N 2.86Å; S19-N23 PolarHBondContact O-ND2 3.44Å
20	H	89	Confident	81.8	Confident	116 Å²	116	97.5 Å²	97.5	54%	0.537	53%	0.532	S	S	.	.	H	α-helix	trans	-57.3	-47.5	-174.5	-176.9	68.5	0	0	0	112.5	D17 F22 N23 L24	D17-H20 HydrophobicContact CB-CB 4.09Å; D17-H20 WeakPolarHBondContact O-CB 3.15Å; D17-H20 PolarHBondContact O-N 3.41Å; D17-H20 PolarHBondContact OD2-N 3.48Å; H20-F22 PolarHBondContact O-N 3.3Å; H20-N23 PolarHBondContact O-N 2.79Å; H20-L24 WeakPolarHBondContact O-CB 3.45Å; H20-L24 PolarHBondContact O-N 2.95Å
21	A	84.7	Confident	83.3	Confident	56 Å²	56	93.4 Å²	93.4	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-40.4	-179.1	0	0	0	0	0	112.8	S19 L25	S19-A21 PolarHBondContact O-N 3.4Å; A21-L25 PolarHBondContact O-N 3.28Å
22	F	85.4	Confident	84.6	Confident	134 Å²	134	90.4 Å²	90.4	59%	0.588	48%	0.475	S	S	*	.	H	α-helix	trans	-67.7	-44.7	177.1	-179	-95.2	0	0	0	111.6	S19 H20 L24 L25 R26	S19-F22 PolarHBondContact O-N 3.05Å; H20-F22 PolarHBondContact O-N 3.3Å; F22-L24 VanDerWaalsContact C-N 3.33Å; F22-L24 PolarHBondContact O-N 3.27Å; F22-L25 PolarHBondContact O-N 3.33Å; F22-R26 WeakPolarHBondContact O-CB 3.32Å; F22-R26 PolarHBondContact O-N 2.74Å
23	N	88.1	Confident	85.9	Confident	64 Å²	64	89.4 Å²	89.4	34%	0.342	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-37.6	177.4	-72.8	-33.9	0	0	0	112	S19 H20 R26 G27	S19-N23 WeakPolarHBondContact O-CB 3.4Å; S19-N23 PolarHBondContact O-N 2.86Å; S19-N23 PolarHBondContact O-ND2 3.44Å; H20-N23 PolarHBondContact O-N 2.79Å; N23-R26 PolarHBondContact O-N 2.93Å; N23-R26 PolarHBondContact OD1-NH2 2.98Å; N23-G27 PolarHBondContact O-N 3.11Å
24	L	89.6	Confident	86.9	Confident	96 Å²	96	86.2 Å²	86.2	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-63.3	-49.6	174.9	179.3	64.3	0	0	0	111.2	H20 F22 R26 G27 I28	H20-L24 WeakPolarHBondContact O-CB 3.45Å; H20-L24 PolarHBondContact O-N 2.95Å; F22-L24 VanDerWaalsContact C-N 3.33Å; F22-L24 PolarHBondContact O-N 3.27Å; L24-R26 VanDerWaalsContact C-N 3.31Å; L24-R26 PolarHBondContact O-N 3.42Å; L24-G27 PolarHBondContact O-N 3.45Å; L24-I28 HydrophobicContact CD1-CD1 4.1Å; L24-I28 HydrophobicContact CD1-CG1 4.43Å; L24-I28 HydrophobicContact CG-CD1 3.96Å; L24-I28 VanDerWaalsContact O-CG1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.47Å; L24-I28 PolarHBondContact O-N 3.26Å
25	L	89.7	Confident	87.6	Confident	58 Å²	58	92 Å²	92	30%	0.304	47%	0.468	S	S	.	.	H	α-helix	trans	-61.5	-41.1	178.5	-172.7	65.3	0	0	0	111.3	A21 F22 I28 H29 Y97	A21-L25 PolarHBondContact O-N 3.28Å; F22-L25 PolarHBondContact O-N 3.33Å; L25-I28 PolarHBondContact O-N 2.97Å; L25-H29 WeakPolarHBondContact O-CB 3.19Å; L25-H29 PolarHBondContact O-N 2.76Å; L25-Y97 WeakPolarHBondContact CG-O 3.28Å
26	R	89	Confident	87.9	Confident	120 Å²	120	88 Å²	88	45%	0.453	45%	0.45	S	S	.	.	H	α-helix	trans	-60.6	-46.4	174.1	-172.4	178.2	68.6	-149.3	-10.6	112	F22 N23 L24 I28 H29 E30	F22-R26 WeakPolarHBondContact O-CB 3.32Å; F22-R26 PolarHBondContact O-N 2.74Å; N23-R26 PolarHBondContact O-N 2.93Å; N23-R26 PolarHBondContact OD1-NH2 2.98Å; L24-R26 VanDerWaalsContact C-N 3.31Å; L24-R26 PolarHBondContact O-N 3.42Å; R26-I28 VanDerWaalsContact C-N 3.34Å; R26-I28 PolarHBondContact O-N 3.06Å; R26-H29 WeakPolarHBondContact O-CB 3.22Å; R26-H29 PolarHBondContact O-N 3.32Å; R26-E30 IonicContact NE-OE1 2.84Å; R26-E30 WeakPolarHBondContact O-CG 3.28Å; R26-E30 PolarHBondContact O-N 2.84Å
27	G	89.6	Confident	88.4	Confident	25 Å²	25	89.9 Å²	89.9	26%	0.258	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-39.3	177.3	0	0	0	0	0	112.8	N23 L24 H29 E30 L31	N23-G27 PolarHBondContact O-N 3.11Å; L24-G27 PolarHBondContact O-N 3.45Å; G27-H29 VanDerWaalsContact C-N 3.34Å; G27-E30 PolarHBondContact O-N 3.02Å; G27-L31 WeakPolarHBondContact O-CG 3.27Å; G27-L31 PolarHBondContact O-N 2.95Å
28	I	91	Very high	88.5	Confident	42 Å²	42	89.2 Å²	89.2	22%	0.215	45%	0.452	C	S	.	.	H	α-helix	trans	-66.2	-37.7	175.1	-66.8	169.1	0	0	0	111.2	L24 L25 R26 L31 R32 V55 Y97	L24-I28 HydrophobicContact CD1-CD1 4.1Å; L24-I28 HydrophobicContact CD1-CG1 4.43Å; L24-I28 HydrophobicContact CG-CD1 3.96Å; L24-I28 VanDerWaalsContact O-CG1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.47Å; L24-I28 PolarHBondContact O-N 3.26Å; L25-I28 PolarHBondContact O-N 2.97Å; R26-I28 VanDerWaalsContact C-N 3.34Å; R26-I28 PolarHBondContact O-N 3.06Å; I28-L31 PolarHBondContact O-N 3.35Å; I28-R32 PolarHBondContact O-N 3.21Å; I28-R32 VanDerWaalsContact O-N 3.13Å; I28-V55 HydrophobicContact CD1-CG2 4.49Å; I28-V55 HydrophobicContact CG2-CG2 3.51Å; I28-Y97 HydrophobicContact CG2-CD1 3.77Å; I28-Y97 HydrophobicContact CG2-CE1 3.66Å
29	H	89.7	Confident	88.8	Confident	78 Å²	78	86.4 Å²	86.4	36%	0.361	43%	0.428	S	S	.	.	H	α-helix	trans	-64	-42.4	173.5	-177.9	71.2	0	0	0	112.2	L25 R26 G27 R32 A33	L25-H29 WeakPolarHBondContact O-CB 3.19Å; L25-H29 PolarHBondContact O-N 2.76Å; R26-H29 WeakPolarHBondContact O-CB 3.22Å; R26-H29 PolarHBondContact O-N 3.32Å; G27-H29 VanDerWaalsContact C-N 3.34Å; H29-R32 WeakPolarHBondContact O-CB 3.44Å; H29-R32 PolarHBondContact O-N 3.43Å; H29-A33 PolarHBondContact O-N 3.16Å
30	E	90.6	Very high	88.8	Confident	100 Å²	100	83.7 Å²	83.7	47%	0.467	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-43.3	174	-71.9	166.5	-171.1	0	0	111.7	R26 G27 R32 A33 E34	R26-E30 IonicContact NE-OE1 2.84Å; R26-E30 WeakPolarHBondContact O-CG 3.28Å; R26-E30 PolarHBondContact O-N 2.84Å; G27-E30 PolarHBondContact O-N 3.02Å; E30-R32 VanDerWaalsContact C-N 3.29Å; E30-R32 PolarHBondContact O-N 3.01Å; E30-A33 WeakPolarHBondContact O-CB 3.46Å; E30-A33 PolarHBondContact O-N 2.86Å; E30-A33 VanDerWaalsContact O-N 3.07Å; E30-E34 PolarHBondContact O-N 3.31Å
31	L	90.9	Very high	88.8	Confident	57 Å²	57	79.3 Å²	79.3	30%	0.298	39%	0.391	S	S	.	.	H	α-helix	trans	-60.4	-37	175.3	-71.1	174	0	0	0	112.9	G27 I28 E34 R35 K36 F37	G27-L31 WeakPolarHBondContact O-CG 3.27Å; G27-L31 PolarHBondContact O-N 2.95Å; I28-L31 PolarHBondContact O-N 3.35Å; L31-E34 PolarHBondContact O-N 3.36Å; L31-R35 PolarHBondContact O-N 3.4Å; L31-R35 VanDerWaalsContact O-N 3.14Å; L31-K36 HydrophobicContact CD2-CB 4.46Å; L31-K36 PolarHBondContact O-N 3.24Å; L31-F37 HydrophobicContact CD1-CD2 4.35Å; L31-F37 HydrophobicContact CD2-CD2 4.05Å; L31-F37 HydrophobicContact CD2-CE2 3.98Å
32	R	89.1	Confident	89.1	Confident	41 Å²	41	76.7 Å²	76.7	16%	0.155	37%	0.369	C	S	.	.	H	α-helix	trans	-66.4	-40.6	173.2	179.8	170.7	176.8	-139.1	-13.2	111.6	I28 H29 E30 E34 R35 F38 V93 D94 Y97	I28-R32 PolarHBondContact O-N 3.21Å; I28-R32 VanDerWaalsContact O-N 3.13Å; H29-R32 WeakPolarHBondContact O-CB 3.44Å; H29-R32 PolarHBondContact O-N 3.43Å; E30-R32 VanDerWaalsContact C-N 3.29Å; E30-R32 PolarHBondContact O-N 3.01Å; R32-E34 VanDerWaalsContact C-N 3.33Å; R32-E34 PolarHBondContact O-N 3.44Å; R32-R35 PolarHBondContact O-N 3.37Å; R32-R35 VanDerWaalsContact O-N 3.17Å; R32-F38 HydrophobicContact CB-CE1 4.22Å; R32-F38 HydrophobicContact CB-CZ 4.49Å; R32-F38 HydrophobicContact CG-CE1 3.97Å; R32-F38 HydrophobicContact CG-CZ 4.08Å; R32-V93 PolarHBondContact NH1-O 2.88Å; R32-D94 IonicContact CZ-OD1 2.59Å; R32-D94 IonicContact NH1-OD1 2.75Å; R32-D94 PolarHBondContact NH1-OD1 2.97Å; R32-D94 IonicContact NH2-OD1 3.65Å; R32-D94 PolarHBondContact NH2-OD1 2.86Å; R32-Y97 HydrophobicContact CB-CD1 4.05Å; R32-Y97 HydrophobicContact CB-CE1 3.95Å; R32-Y97 HydrophobicContact CG-CE1 4.35Å; R32-Y97 VanDerWaalsContact NH1-CD2 3.26Å
33	A	88.3	Confident	89.3	Confident	78 Å²	78	70.6 Å²	70.6	65%	0.645	34%	0.343	S	S	*	.	H	α-helix	trans	-64.1	-37.6	175.6	0	0	0	0	0	112.2	H29 E30 R35	H29-A33 PolarHBondContact O-N 3.16Å; E30-A33 WeakPolarHBondContact O-CB 3.46Å; E30-A33 PolarHBondContact O-N 2.86Å; E30-A33 VanDerWaalsContact O-N 3.07Å; A33-R35 PolarHBondContact O-N 3.33Å
34	E	90.4	Very high	89.3	Confident	111 Å²	111	67.6 Å²	67.6	52%	0.519	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.6	175	-68.1	-174.8	-175.3	0	0	114.4	E30 L31 R32 K36	E30-E34 PolarHBondContact O-N 3.31Å; L31-E34 PolarHBondContact O-N 3.36Å; R32-E34 VanDerWaalsContact C-N 3.33Å; R32-E34 PolarHBondContact O-N 3.44Å; E34-K36 HydrophobicContact CB-CD 4.23Å; E34-K36 HydrophobicContact CB-CG 4.23Å; E34-K36 WeakPolarHBondContact OE2-CD 3.33Å; E34-K36 VanDerWaalsContact OE2-CE 3.32Å; E34-K36 WeakPolarHBondContact OE2-CE 3.23Å; E34-K36 IonicContact OE2-NZ 3.22Å; E34-K36 PolarHBondContact OE2-NZ 2.91Å
35	R	87.4	Confident	89.2	Confident	202 Å²	202	69.9 Å²	69.9	76%	0.762	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	41.8	-177.5	-56.1	-176.6	178.3	-167	-1.5	114.6	L31 R32 A33 F38	L31-R35 PolarHBondContact O-N 3.4Å; L31-R35 VanDerWaalsContact O-N 3.14Å; R32-R35 PolarHBondContact O-N 3.37Å; R32-R35 VanDerWaalsContact O-N 3.17Å; A33-R35 PolarHBondContact O-N 3.33Å; R35-F38 HydrophobicContact CB-CE2 3.74Å; R35-F38 HydrophobicContact CB-CZ 4.4Å; R35-F38 HydrophobicContact CG-CE2 4.19Å
36	K	87.3	Confident	88.7	Confident	99 Å²	99	70.8 Å²	70.8	43%	0.43	36%	0.359	S	S	.	.			trans	-108.1	150	-179.7	-67.5	178.5	-178.8	161.9	0	112	L31 E34 F38 H52	L31-K36 HydrophobicContact CD2-CB 4.46Å; L31-K36 PolarHBondContact O-N 3.24Å; E34-K36 HydrophobicContact CB-CD 4.23Å; E34-K36 HydrophobicContact CB-CG 4.23Å; E34-K36 WeakPolarHBondContact OE2-CD 3.33Å; E34-K36 VanDerWaalsContact OE2-CE 3.32Å; E34-K36 WeakPolarHBondContact OE2-CE 3.23Å; E34-K36 IonicContact OE2-NZ 3.22Å; E34-K36 PolarHBondContact OE2-NZ 2.91Å; K36-F38 VanDerWaalsContact C-N 3.32Å; K36-F38 PolarHBondContact O-N 3.28Å; K36-H52 PolarHBondContact O-NE2 3.07Å; K36-H52 VanDerWaalsContact O-NE2 3.13Å
37	F	87.3	Confident	88.8	Confident	158 Å²	158	72.4 Å²	72.4	69%	0.693	37%	0.365	S	S	*	.	S	Bend	trans	61.5	23.3	170.5	-49.3	-67.3	0	0	0	117.3	L31 H52	L31-F37 HydrophobicContact CD1-CD2 4.35Å; L31-F37 HydrophobicContact CD2-CD2 4.05Å; L31-F37 HydrophobicContact CD2-CE2 3.98Å; F37-H52 PolarHBondContact O-CD2 2.88Å
38	F	88.9	Confident	88.9	Confident	60 Å²	60	75.8 Å²	75.8	26%	0.263	37%	0.374	S	S	.	.			trans	-66.9	137.2	173.2	-58.5	-46.9	0	0	0	112.3	R32 R35 K36 H50 H52	R32-F38 HydrophobicContact CB-CE1 4.22Å; R32-F38 HydrophobicContact CB-CZ 4.49Å; R32-F38 HydrophobicContact CG-CE1 3.97Å; R32-F38 HydrophobicContact CG-CZ 4.08Å; R35-F38 HydrophobicContact CB-CE2 3.74Å; R35-F38 HydrophobicContact CB-CZ 4.4Å; R35-F38 HydrophobicContact CG-CE2 4.19Å; K36-F38 VanDerWaalsContact C-N 3.32Å; K36-F38 PolarHBondContact O-N 3.28Å; F38-H50 HydrophobicContact CB-CB 4.27Å; F38-H50 HydrophobicContact CD1-CB 4.17Å; F38-H50 HydrophobicContact CD2-CB 3.38Å; F38-H50 HydrophobicContact CE1-CB 4.32Å; F38-H50 WeakPolarHBondContact CE1-O 3.32Å; F38-H50 HydrophobicContact CE2-CB 3.52Å; F38-H50 HydrophobicContact CG-CB 3.7Å; F38-H50 HydrophobicContact CZ-CB 4.01Å; F38-H52 AromaticContact CD1-CE1 3.75Å; F38-H52 AromaticContact CD1-NE2 3.88Å; F38-H52 AromaticContact CE1-CE1 3.65Å
39	D	88.9	Confident	88.9	Confident	60 Å²	60	75.3 Å²	75.3	32%	0.321	37%	0.37	S	S	.	.			trans	-127.7	2.5	-178.2	61.5	-1.8	0	0	0	112.4	C51 H52 R53	D39-C51 PolarHBondContact N-O 3.17Å; D39-H52 WeakPolarHBondContact OD1-CA 3.45Å; D39-R53 PolarHBondContact O-NE 3.47Å; D39-R53 VanDerWaalsContact O-NE 3.12Å; D39-R53 WeakPolarHBondContact OD1-CG 3.29Å; D39-R53 PolarHBondContact OD1-N 2.89Å; D39-R53 WeakPolarHBondContact OD2-CB 3.32Å; D39-R53 PolarHBondContact OD2-N 3.29Å
40	V	89.3	Confident	89	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.012	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	146.2	172	67.3	0	0	0	0	111.9	L42 C51 R53 L56 F67 D77 V79	V40-L42 HydrophobicContact CG2-CD2 4.39Å; V40-C51 HydrophobicContact CG1-CB 3.99Å; V40-C51 PolarHBondContact N-O 3.28Å; V40-C51 PolarHBondContact O-N 3.02Å; V40-R53 HydrophobicContact CB-CG 3.76Å; V40-R53 HydrophobicContact CG1-CG 3.7Å; V40-L56 HydrophobicContact CG1-CD1 4.27Å; V40-F67 HydrophobicContact CG1-CZ 4.31Å; V40-F67 HydrophobicContact CG2-CE1 4.19Å; V40-F67 HydrophobicContact CG2-CZ 4.29Å; V40-D77 CarbonylContact C-O 3.44Å; V40-V79 HydrophobicContact CG2-CG2 4.11Å
41	T	90.6	Very high	89	Confident	25 Å²	25	70.6 Å²	70.6	15%	0.153	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.4	171.2	-54.5	0	0	0	0	109.7	E48 F49 H50 D77 R78 V79	T41-E48 HydrophobicContact CG2-CB 3.95Å; T41-F49 WeakPolarHBondContact CA-O 3.32Å; T41-H50 PolarHBondContact OG1-ND1 3.32Å; T41-D77 PolarHBondContact N-O 3.31Å; T41-R78 WeakPolarHBondContact O-CA 3.15Å; T41-V79 PolarHBondContact O-N 3.39Å
42	L	90.3	Very high	89.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.4	172.8	-56.9	179.5	0	0	0	109.5	V40 E48 F49 L56 F63 V79 L81 L89 V93	V40-L42 HydrophobicContact CG2-CD2 4.39Å; L42-E48 CarbonylContact O-C 3.52Å; L42-E48 WeakPolarHBondContact O-CA 3.44Å; L42-F49 HydrophobicContact CB-CB 4.29Å; L42-F49 PolarHBondContact N-O 2.8Å; L42-F49 PolarHBondContact O-N 3.3Å; L42-L56 HydrophobicContact CD1-CD1 3.88Å; L42-L56 HydrophobicContact CG-CD1 4.41Å; L42-F63 HydrophobicContact CD1-CE1 4.08Å; L42-F63 HydrophobicContact CD1-CZ 4.14Å; L42-F63 HydrophobicContact CD2-CE1 4.34Å; L42-V79 CarbonylContact C-O 3.21Å; L42-V79 WeakPolarHBondContact CA-O 3.44Å; L42-V79 HydrophobicContact CD2-CB 3.99Å; L42-V79 HydrophobicContact CD2-CG1 4.44Å; L42-L81 HydrophobicContact CD1-CD1 4.47Å; L42-L81 HydrophobicContact CD2-CD1 4.48Å; L42-L89 HydrophobicContact CB-CD2 4.39Å; L42-V93 HydrophobicContact CD1-CG2 4.14Å
43	C	88.5	Confident	89.1	Confident	7 Å²	7	68.4 Å²	68.4	5%	0.047	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126	176.9	-62	0	0	0	0	110.6	R47 R78 V79 V80 L81	C43-R47 WeakPolarHBondContact CA-O 3.12Å; C43-R78 PolarHBondContact SG-NE 3.13Å; C43-V79 PolarHBondContact N-O 2.89Å; C43-V80 HydrophobicContact CB-CG2 4.19Å; C43-V80 WeakPolarHBondContact O-CA 3.28Å; C43-L81 PolarHBondContact O-N 3.48Å
44	A	89	Confident	89.2	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.008	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.1	172.8	0	0	0	0	0	109.3	G46 R47 A86 L89	A44-G46 PolarHBondContact O-N 3.49Å; A44-R47 PolarHBondContact N-O 3.11Å; A44-R47 PolarHBondContact O-N 3.42Å; A44-A86 HydrophobicContact CB-CB 4.37Å; A44-A86 WeakPolarHBondContact O-CB 3.36Å; A44-L89 HydrophobicContact CB-CD2 3.58Å
45	E	87.1	Confident	89.2	Confident	143 Å²	143	64.9 Å²	64.9	67%	0.668	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.9	36.2	-178.2	-60.9	178.7	146.1	0	0	114.9	R47 S85 A86	E45-R47 VanDerWaalsContact C-N 3.26Å; E45-R47 PolarHBondContact O-N 3.42Å; E45-S85 WeakPolarHBondContact OE2-CA 3.44Å; E45-A86 HydrophobicContact CB-CB 4.1Å; E45-A86 PolarHBondContact OE2-N 2.92Å
46	G	80.6	Confident	89.4	Confident	78 Å²	78	55.3 Å²	55.3	80%	0.804	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	1.1	-179	0	0	0	0	0	115.7	A44	A44-G46 PolarHBondContact O-N 3.49Å
47	R	90.4	Very high	89.5	Confident	154 Å²	154	51.4 Å²	51.4	58%	0.581	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	142.4	168.3	-77	-179.4	166.5	177.2	-0.3	111.1	C43 A44 E45 F49 A86	C43-R47 WeakPolarHBondContact CA-O 3.12Å; A44-R47 PolarHBondContact N-O 3.11Å; A44-R47 PolarHBondContact O-N 3.42Å; E45-R47 VanDerWaalsContact C-N 3.26Å; E45-R47 PolarHBondContact O-N 3.42Å; R47-F49 HydrophobicContact CB-CE2 3.95Å; R47-F49 HydrophobicContact CB-CZ 4.17Å; R47-A86 HydrophobicContact CB-CB 3.87Å; R47-A86 HydrophobicContact CG-CB 4.14Å
48	E	91.3	Very high	89.7	Confident	96 Å²	96	48.1 Å²	48.1	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.4	-178.9	-54.9	-164.1	150.1	0	0	111.2	T41 L42 R78	T41-E48 HydrophobicContact CG2-CB 3.95Å; L42-E48 CarbonylContact O-C 3.52Å; L42-E48 WeakPolarHBondContact O-CA 3.44Å; E48-R78 IonicContact OE1-CZ 3.27Å; E48-R78 IonicContact OE1-NE 3.43Å; E48-R78 IonicContact OE1-NH2 3.43Å; E48-R78 PolarHBondContact OE1-NH2 3.25Å
49	F	91.1	Very high	89.7	Confident	31 Å²	31	47.1 Å²	47.1	14%	0.136	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	104	-179	-59.2	-88.3	0	0	0	109.8	T41 L42 R47 C51 A86 L89	T41-F49 WeakPolarHBondContact CA-O 3.32Å; L42-F49 HydrophobicContact CB-CB 4.29Å; L42-F49 PolarHBondContact N-O 2.8Å; L42-F49 PolarHBondContact O-N 3.3Å; R47-F49 HydrophobicContact CB-CE2 3.95Å; R47-F49 HydrophobicContact CB-CZ 4.17Å; F49-C51 PolarHBondContact O-SG 3.43Å; F49-A86 HydrophobicContact CE2-CB 4.28Å; F49-A86 HydrophobicContact CZ-CB 4.3Å; F49-A86 WeakPolarHBondContact CZ-O 3.37Å; F49-L89 HydrophobicContact CD2-CD2 3.98Å; F49-L89 HydrophobicContact CE2-CD2 4.09Å
50	H	90.9	Very high	89.9	Confident	80 Å²	80	44.4 Å²	44.4	37%	0.37	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.3	175	-54.5	-70.4	0	0	0	110.8	F38 T41	F38-H50 HydrophobicContact CB-CB 4.27Å; F38-H50 HydrophobicContact CD1-CB 4.17Å; F38-H50 HydrophobicContact CD2-CB 3.38Å; F38-H50 HydrophobicContact CE1-CB 4.32Å; F38-H50 WeakPolarHBondContact CE1-O 3.32Å; F38-H50 HydrophobicContact CE2-CB 3.52Å; F38-H50 HydrophobicContact CG-CB 3.7Å; F38-H50 HydrophobicContact CZ-CB 4.01Å; T41-H50 PolarHBondContact OG1-ND1 3.32Å
51	C	92.3	Very high	90	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	170.9	-169.6	-58.7	0	0	0	0	111.9	D39 V40 F49 L56 V93	D39-C51 PolarHBondContact N-O 3.17Å; V40-C51 HydrophobicContact CG1-CB 3.99Å; V40-C51 PolarHBondContact N-O 3.28Å; V40-C51 PolarHBondContact O-N 3.02Å; F49-C51 PolarHBondContact O-SG 3.43Å; C51-L56 HydrophobicContact CB-CD1 3.68Å; C51-L56 HydrophobicContact CB-CG 4.25Å; C51-V93 VanDerWaalsContact SG-CG1 3.52Å
52	H	92	Very high	90	Very high	15 Å²	15	49.6 Å²	49.6	7%	0.069	28%	0.279	C	S	.	.			trans	-103.9	124.5	170.4	-50.6	90.2	0	0	0	109.7	K36 F37 F38 D39 T54 V55 L56 Y97	K36-H52 PolarHBondContact O-NE2 3.07Å; K36-H52 VanDerWaalsContact O-NE2 3.13Å; F37-H52 PolarHBondContact O-CD2 2.88Å; F38-H52 AromaticContact CD1-CE1 3.75Å; F38-H52 AromaticContact CD1-NE2 3.88Å; F38-H52 AromaticContact CE1-CE1 3.65Å; D39-H52 WeakPolarHBondContact OD1-CA 3.45Å; H52-T54 VanDerWaalsContact C-N 3.27Å; H52-T54 PolarHBondContact O-N 3.3Å; H52-V55 HydrophobicContact CB-CB 4.24Å; H52-V55 HydrophobicContact CB-CG2 3.78Å; H52-V55 PolarHBondContact O-N 3.4Å; H52-L56 PolarHBondContact O-N 2.88Å; H52-Y97 PolarHBondContact N-OH 3.14Å; H52-Y97 AromaticContact ND1-CE1 3.38Å; H52-Y97 WeakPolarHBondContact ND1-CE1 3.37Å; H52-Y97 AromaticContact ND1-CZ 3.55Å; H52-Y97 PolarHBondContact ND1-OH 3.5Å
53	R	89.4	Confident	89.9	Confident	37 Å²	37	49.7 Å²	49.7	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-40.6	179.7	-72.2	168.4	168.9	-106	-4.3	111.7	D39 V40 V55 L56 A57 F67 E73 S74 M76	D39-R53 PolarHBondContact O-NE 3.47Å; D39-R53 VanDerWaalsContact O-NE 3.12Å; D39-R53 WeakPolarHBondContact OD1-CG 3.29Å; D39-R53 PolarHBondContact OD1-N 2.89Å; D39-R53 WeakPolarHBondContact OD2-CB 3.32Å; D39-R53 PolarHBondContact OD2-N 3.29Å; V40-R53 HydrophobicContact CB-CG 3.76Å; V40-R53 HydrophobicContact CG1-CG 3.7Å; R53-V55 VanDerWaalsContact C-N 3.34Å; R53-V55 PolarHBondContact O-N 3.12Å; R53-L56 PolarHBondContact O-N 3Å; R53-A57 WeakPolarHBondContact O-CB 3.38Å; R53-A57 PolarHBondContact O-N 3.24Å; R53-F67 HydrophobicContact CB-CD2 3.93Å; R53-F67 HydrophobicContact CB-CE2 4.13Å; R53-F67 HydrophobicContact CB-CG 4.35Å; R53-F67 HydrophobicContact CG-CD1 4.29Å; R53-F67 HydrophobicContact CG-CD2 4.12Å; R53-F67 HydrophobicContact CG-CE1 4.28Å; R53-F67 HydrophobicContact CG-CE2 4.11Å; R53-F67 HydrophobicContact CG-CG 4.23Å; R53-F67 HydrophobicContact CG-CZ 4.2Å; R53-E73 PolarHBondContact NH2-O 2.94Å; R53-S74 PolarHBondContact NH1-O 3.37Å; R53-S74 PolarHBondContact NH2-O 3.17Å; R53-M76 PolarHBondContact NH2-O 3.05Å
54	T	89.4	Confident	90	Very high	101 Å²	101	56 Å²	56	62%	0.62	30%	0.302	S	S	*	.	H	α-helix	trans	-60.9	-41.8	179.9	50.8	0	0	0	0	112.3	H52 A58	H52-T54 VanDerWaalsContact C-N 3.27Å; H52-T54 PolarHBondContact O-N 3.3Å; T54-A58 WeakPolarHBondContact O-CB 3.19Å; T54-A58 PolarHBondContact O-N 3.21Å
55	V	91.6	Very high	89.8	Confident	14 Å²	14	58.7 Å²	58.7	9%	0.085	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-47.2	179.8	-178.7	0	0	0	0	110.5	I28 H52 R53 A58 A59 C96 Y97	I28-V55 HydrophobicContact CD1-CG2 4.49Å; I28-V55 HydrophobicContact CG2-CG2 3.51Å; H52-V55 HydrophobicContact CB-CB 4.24Å; H52-V55 HydrophobicContact CB-CG2 3.78Å; H52-V55 PolarHBondContact O-N 3.4Å; R53-V55 VanDerWaalsContact C-N 3.34Å; R53-V55 PolarHBondContact O-N 3.12Å; V55-A58 PolarHBondContact O-N 3.05Å; V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 3.34Å; V55-C96 HydrophobicContact CG1-CB 4.17Å; V55-C96 WeakPolarHBondContact CG1-O 3.36Å; V55-Y97 HydrophobicContact CB-CE1 4.33Å; V55-Y97 HydrophobicContact CB-CE2 4.49Å; V55-Y97 HydrophobicContact CG1-CD1 4.3Å; V55-Y97 HydrophobicContact CG1-CD2 4.2Å; V55-Y97 HydrophobicContact CG1-CE1 4.02Å; V55-Y97 HydrophobicContact CG1-CE2 3.93Å; V55-Y97 HydrophobicContact CG1-CG 4.37Å; V55-Y97 HydrophobicContact CG2-CE1 4.13Å
56	L	91.1	Very high	89.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-43	178.1	-68.2	178.7	0	0	0	112	V40 L42 C51 H52 R53 A58 A59 S60 F63 F67 V93 C96	V40-L56 HydrophobicContact CG1-CD1 4.27Å; L42-L56 HydrophobicContact CD1-CD1 3.88Å; L42-L56 HydrophobicContact CG-CD1 4.41Å; C51-L56 HydrophobicContact CB-CD1 3.68Å; C51-L56 HydrophobicContact CB-CG 4.25Å; H52-L56 PolarHBondContact O-N 2.88Å; R53-L56 PolarHBondContact O-N 3Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 2.78Å; L56-A59 PolarHBondContact O-N 3.2Å; L56-S60 PolarHBondContact O-N 3.06Å; L56-F63 HydrophobicContact CB-CB 4.01Å; L56-F63 HydrophobicContact CB-CD2 4.23Å; L56-F63 HydrophobicContact CB-CG 4.08Å; L56-F67 HydrophobicContact CB-CE2 3.96Å; L56-F67 HydrophobicContact CD1-CE2 4.24Å; L56-F67 HydrophobicContact CD1-CZ 4.3Å; L56-V93 HydrophobicContact CD2-CG2 4.47Å; L56-C96 HydrophobicContact CD2-CB 4.22Å
57	A	90.4	Very high	89.9	Confident	18 Å²	18	50.1 Å²	50.1	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-68	-30.2	176.6	0	0	0	0	0	113.3	R53 R64 F67	R53-A57 WeakPolarHBondContact O-CB 3.38Å; R53-A57 PolarHBondContact O-N 3.24Å; A57-R64 HydrophobicContact CB-CB 4.09Å; A57-R64 HydrophobicContact CB-CG 4.27Å; A57-R64 WeakPolarHBondContact O-CB 3.13Å; A57-F67 HydrophobicContact CB-CD2 4.28Å
58	A	90.3	Very high	89.4	Confident	89 Å²	89	48 Å²	48	74%	0.736	27%	0.268	S	S	*	.	H	α-helix	trans	-73.4	-35.6	173.9	0	0	0	0	0	111.7	T54 V55 L56	T54-A58 WeakPolarHBondContact O-CB 3.19Å; T54-A58 PolarHBondContact O-N 3.21Å; V55-A58 PolarHBondContact O-N 3.05Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 2.78Å
59	A	89.6	Confident	88.5	Confident	38 Å²	38	44.7 Å²	44.7	31%	0.314	26%	0.26	S	S	.	.	H	α-helix	trans	-84.4	-27.4	-176.2	0	0	0	0	0	114.2	V55 L56 C96 F120	V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 3.34Å; L56-A59 PolarHBondContact O-N 3.2Å; A59-C96 HydrophobicContact CB-CB 3.93Å; A59-C96 VanDerWaalsContact CB-SG 3.55Å; A59-F120 HydrophobicContact CB-CE1 4.06Å
60	S	92.7	Very high	87	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.028	30%	0.298	C	S	.	.			trans	-140.9	136	-178.8	145.7	0	0	0	0	112.6	L56 Y62 F63 R64 F118 F120	L56-S60 PolarHBondContact O-N 3.06Å; S60-Y62 VanDerWaalsContact C-N 3.29Å; S60-Y62 PolarHBondContact O-N 3.14Å; S60-Y62 PolarHBondContact OG-N 2.82Å; S60-F63 PolarHBondContact O-N 3.35Å; S60-F63 PolarHBondContact OG-N 3.23Å; S60-R64 WeakPolarHBondContact O-CB 3.29Å; S60-R64 PolarHBondContact O-N 2.83Å; S60-F118 WeakPolarHBondContact CB-O 3.43Å; S60-F118 PolarHBondContact OG-O 3.17Å; S60-F120 VanDerWaalsContact CB-CZ 3.48Å
61	T	90.6	Very high	85.8	Confident	58 Å²	58	51.9 Å²	51.9	36%	0.356	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-26.3	178	45.4	0	0	0	0	112.9	A65 Q119	T61-A65 WeakPolarHBondContact O-CB 3.3Å; T61-A65 PolarHBondContact O-N 2.88Å; T61-Q119 WeakPolarHBondContact OG1-CB 3.46Å; T61-Q119 PolarHBondContact OG1-OE1 2.95Å
62	Y	91	Very high	84.2	Confident	78 Å²	78	61.1 Å²	61.1	31%	0.306	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-52.7	173.5	174.1	-94.5	0	0	0	111	S60 R64 A65 M66 F118	S60-Y62 VanDerWaalsContact C-N 3.29Å; S60-Y62 PolarHBondContact O-N 3.14Å; S60-Y62 PolarHBondContact OG-N 2.82Å; Y62-R64 VanDerWaalsContact C-N 3.28Å; Y62-R64 PolarHBondContact O-N 3.4Å; Y62-A65 PolarHBondContact O-N 2.91Å; Y62-M66 HydrophobicContact CD1-CE 3.74Å; Y62-M66 HydrophobicContact CE1-CE 3.08Å; Y62-M66 WeakPolarHBondContact O-CB 3.27Å; Y62-M66 PolarHBondContact O-N 3.33Å; Y62-F118 WeakPolarHBondContact CB-O 3.37Å; Y62-F118 AromaticContact CD1-CD1 3.57Å; Y62-F118 HydrophobicContact CD1-CD1 3.57Å; Y62-F118 HydrophobicContact CD1-CE1 4.29Å; Y62-F118 AromaticContact CE1-CD1 3.47Å; Y62-F118 HydrophobicContact CE1-CD1 3.47Å; Y62-F118 VanDerWaalsContact CE1-CD1 3.47Å; Y62-F118 AromaticContact CE1-CE1 3.73Å; Y62-F118 HydrophobicContact CE1-CE1 3.73Å; Y62-F118 HydrophobicContact CG-CD1 4.27Å
63	F	89.4	Confident	82.9	Confident	2 Å²	2	64 Å²	64	1%	0.009	36%	0.356	C	S	.	.	H	α-helix	trans	-65.3	-34.8	177.1	-70.8	-61.2	0	0	0	111.8	L42 L56 S60 M66 F67 F118 F120	L42-F63 HydrophobicContact CD1-CE1 4.08Å; L42-F63 HydrophobicContact CD1-CZ 4.14Å; L42-F63 HydrophobicContact CD2-CE1 4.34Å; L56-F63 HydrophobicContact CB-CB 4.01Å; L56-F63 HydrophobicContact CB-CD2 4.23Å; L56-F63 HydrophobicContact CB-CG 4.08Å; S60-F63 PolarHBondContact O-N 3.35Å; S60-F63 PolarHBondContact OG-N 3.23Å; F63-M66 HydrophobicContact CD1-CE 3.51Å; F63-M66 HydrophobicContact CD1-SD 4.29Å; F63-M66 HydrophobicContact CE1-CE 3.74Å; F63-M66 PolarHBondContact O-N 3.49Å; F63-F67 HydrophobicContact CB-CD2 4.3Å; F63-F67 HydrophobicContact CB-CE2 3.89Å; F63-F67 HydrophobicContact CD1-CE2 4.27Å; F63-F67 HydrophobicContact CD1-CZ 4.16Å; F63-F67 HydrophobicContact CG-CE2 4.43Å; F63-F67 WeakPolarHBondContact O-CD2 3.49Å; F63-F67 VanDerWaalsContact O-CG 3.32Å; F63-F67 WeakPolarHBondContact O-CG 3.48Å; F63-F67 PolarHBondContact O-N 3.02Å; F63-F118 HydrophobicContact CE2-CB 4.46Å; F63-F118 HydrophobicContact CZ-CD1 4.17Å; F63-F118 HydrophobicContact CZ-CE1 4.43Å; F63-F118 HydrophobicContact CZ-CG 4.44Å; F63-F120 HydrophobicContact CD2-CE2 4.47Å; F63-F120 HydrophobicContact CD2-CZ 4.19Å; F63-F120 AromaticContact CE2-CE2 3.96Å; F63-F120 HydrophobicContact CE2-CE2 3.96Å; F63-F120 AromaticContact CE2-CZ 3.96Å; F63-F120 HydrophobicContact CE2-CZ 3.96Å
64	R	88.8	Confident	81.8	Confident	138 Å²	138	63.7 Å²	63.7	52%	0.521	36%	0.359	S	S	.	.	H	α-helix	trans	-57	-53.5	171.8	-166.3	170	68.3	-176.7	1.6	111	A57 S60 Y62 M66 F67 T68	A57-R64 HydrophobicContact CB-CB 4.09Å; A57-R64 HydrophobicContact CB-CG 4.27Å; A57-R64 WeakPolarHBondContact O-CB 3.13Å; S60-R64 WeakPolarHBondContact O-CB 3.29Å; S60-R64 PolarHBondContact O-N 2.83Å; Y62-R64 VanDerWaalsContact C-N 3.28Å; Y62-R64 PolarHBondContact O-N 3.4Å; R64-M66 VanDerWaalsContact C-N 3.31Å; R64-M66 PolarHBondContact O-N 3.37Å; R64-F67 PolarHBondContact O-N 3.13Å; R64-T68 HydrophobicContact CG-CG2 4.35Å; R64-T68 WeakPolarHBondContact O-CB 3.48Å; R64-T68 WeakPolarHBondContact O-CG2 3.15Å; R64-T68 PolarHBondContact O-N 3.33Å; R64-T68 PolarHBondContact O-OG1 3.5Å
65	A	86.1	Confident	80.6	Confident	58 Å²	58	64.7 Å²	64.7	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-38.9	179.4	0	0	0	0	0	112.5	T61 Y62 G69	T61-A65 WeakPolarHBondContact O-CB 3.3Å; T61-A65 PolarHBondContact O-N 2.88Å; Y62-A65 PolarHBondContact O-N 2.91Å; A65-G69 WeakPolarHBondContact O-CA 3.49Å; A65-G69 PolarHBondContact O-N 2.94Å
66	M	85.2	Confident	79.7	Confident	15 Å²	15	67.4 Å²	67.4	7%	0.074	38%	0.377	C	S	.	.	H	α-helix	trans	-61.5	-45.2	176.3	-172.6	-164.2	-50.8	0	0	112.1	Y62 F63 R64 E73 V79	Y62-M66 HydrophobicContact CD1-CE 3.74Å; Y62-M66 HydrophobicContact CE1-CE 3.08Å; Y62-M66 WeakPolarHBondContact O-CB 3.27Å; Y62-M66 PolarHBondContact O-N 3.33Å; F63-M66 HydrophobicContact CD1-CE 3.51Å; F63-M66 HydrophobicContact CD1-SD 4.29Å; F63-M66 HydrophobicContact CE1-CE 3.74Å; F63-M66 PolarHBondContact O-N 3.49Å; R64-M66 VanDerWaalsContact C-N 3.31Å; R64-M66 PolarHBondContact O-N 3.37Å; M66-E73 HydrophobicContact CG-CB 3.95Å; M66-E73 HydrophobicContact SD-CB 4.46Å; M66-V79 HydrophobicContact SD-CG1 3.96Å; M66-V79 HydrophobicContact SD-CG2 4.47Å
67	F	84.4	Confident	79.1	Confident	26 Å²	26	73.2 Å²	73.2	11%	0.114	41%	0.409	C	S	.	.	H	α-helix	trans	-84.6	-26.6	-175.9	-59.1	-38	0	0	0	113.9	V40 R53 L56 A57 F63 R64	V40-F67 HydrophobicContact CG1-CZ 4.31Å; V40-F67 HydrophobicContact CG2-CE1 4.19Å; V40-F67 HydrophobicContact CG2-CZ 4.29Å; R53-F67 HydrophobicContact CB-CD2 3.93Å; R53-F67 HydrophobicContact CB-CE2 4.13Å; R53-F67 HydrophobicContact CB-CG 4.35Å; R53-F67 HydrophobicContact CG-CD1 4.29Å; R53-F67 HydrophobicContact CG-CD2 4.12Å; R53-F67 HydrophobicContact CG-CE1 4.28Å; R53-F67 HydrophobicContact CG-CE2 4.11Å; R53-F67 HydrophobicContact CG-CG 4.23Å; R53-F67 HydrophobicContact CG-CZ 4.2Å; L56-F67 HydrophobicContact CB-CE2 3.96Å; L56-F67 HydrophobicContact CD1-CE2 4.24Å; L56-F67 HydrophobicContact CD1-CZ 4.3Å; A57-F67 HydrophobicContact CB-CD2 4.28Å; F63-F67 HydrophobicContact CB-CD2 4.3Å; F63-F67 HydrophobicContact CB-CE2 3.89Å; F63-F67 HydrophobicContact CD1-CE2 4.27Å; F63-F67 HydrophobicContact CD1-CZ 4.16Å; F63-F67 HydrophobicContact CG-CE2 4.43Å; F63-F67 WeakPolarHBondContact O-CD2 3.49Å; F63-F67 VanDerWaalsContact O-CG 3.32Å; F63-F67 WeakPolarHBondContact O-CG 3.48Å; F63-F67 PolarHBondContact O-N 3.02Å; R64-F67 PolarHBondContact O-N 3.13Å
68	T	80.8	Confident	78.8	Confident	111 Å²	111	79.2 Å²	79.2	68%	0.681	43%	0.427	S	S	*	.	H	α-helix	trans	-93	-7.5	176.7	64.3	0	0	0	0	113.6	R64	R64-T68 HydrophobicContact CG-CG2 4.35Å; R64-T68 WeakPolarHBondContact O-CB 3.48Å; R64-T68 WeakPolarHBondContact O-CG2 3.15Å; R64-T68 PolarHBondContact O-N 3.33Å; R64-T68 PolarHBondContact O-OG1 3.5Å
69	G	70.9	Confident	78.6	Confident	26 Å²	26	75.3 Å²	75.3	27%	0.268	39%	0.394	S	S	.	.	S	Bend	trans	-78.9	170.4	-178.3	0	0	0	0	0	114.2	A65 L71 S74	A65-G69 WeakPolarHBondContact O-CA 3.49Å; A65-G69 PolarHBondContact O-N 2.94Å; G69-L71 PolarHBondContact O-N 3.39Å; G69-S74 VanDerWaalsContact O-CB 3.27Å; G69-S74 WeakPolarHBondContact O-CB 3.44Å; G69-S74 PolarHBondContact O-OG 3.16Å; G69-S74 VanDerWaalsContact O-OG 3.13Å
70	T	59.8	Low	78.3	Confident	153 Å²	153	77.1 Å²	77.1	94%	0.939	40%	0.401	S	S	*	.	S	Bend	trans	-83.9	7.4	173.9	48.6	0	0	0	0	113.6
71	L	65.2	Low	78	Confident	109 Å²	109	77.7 Å²	77.7	57%	0.571	40%	0.404	S	S	*	.	S	Bend	trans	-75.9	159.3	-179.4	-66.5	171.1	0	0	0	111.5	G69 E73 S74	G69-L71 PolarHBondContact O-N 3.39Å; L71-E73 WeakPolarHBondContact CB-OE2 3.27Å; L71-E73 PolarHBondContact O-N 2.98Å; L71-S74 WeakPolarHBondContact O-CB 3.35Å; L71-S74 PolarHBondContact O-N 3.38Å; L71-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-OG 3.04Å
72	R	60.5	Low	77.5	Confident	194 Å²	194	82.1 Å²	82.1	73%	0.732	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.6	-171.8	-159.2	178	170.8	172.8	-5.6	112.1	S74 V75 M76	R72-S74 PolarHBondContact O-N 3.05Å; R72-V75 PolarHBondContact O-N 2.98Å; R72-M76 HydrophobicContact CB-CE 4.29Å; R72-M76 VanDerWaalsContact CD-CE 3.43Å; R72-M76 HydrophobicContact CG-CE 3.54Å; R72-M76 VanDerWaalsContact NE-CE 3.27Å; R72-M76 WeakPolarHBondContact O-CG 3.48Å; R72-M76 PolarHBondContact O-N 2.81Å
73	E	64.6	Low	77	Confident	76 Å²	76	88.2 Å²	88.2	36%	0.355	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-63.5	-23.9	177.4	-65.5	77.4	-174.6	0	0	112.7	R53 M66 L71 V75 M76 V79	R53-E73 PolarHBondContact NH2-O 2.94Å; M66-E73 HydrophobicContact CG-CB 3.95Å; M66-E73 HydrophobicContact SD-CB 4.46Å; L71-E73 WeakPolarHBondContact CB-OE2 3.27Å; L71-E73 PolarHBondContact O-N 2.98Å; E73-V75 PolarHBondContact O-N 2.8Å; E73-M76 PolarHBondContact O-N 3.04Å; E73-V79 HydrophobicContact CG-CG1 4.44Å
74	S	65.3	Low	76.7	Confident	29 Å²	29	88.4 Å²	88.4	20%	0.203	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-67.3	-24.5	176.6	70.5	0	0	0	0	112.3	R53 G69 L71 R72	R53-S74 PolarHBondContact NH1-O 3.37Å; R53-S74 PolarHBondContact NH2-O 3.17Å; G69-S74 VanDerWaalsContact O-CB 3.27Å; G69-S74 WeakPolarHBondContact O-CB 3.44Å; G69-S74 PolarHBondContact O-OG 3.16Å; G69-S74 VanDerWaalsContact O-OG 3.13Å; L71-S74 WeakPolarHBondContact O-CB 3.35Å; L71-S74 PolarHBondContact O-N 3.38Å; L71-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-OG 3.04Å; R72-S74 PolarHBondContact O-N 3.05Å
75	V	64.8	Low	76.7	Confident	122 Å²	122	83.1 Å²	83.1	74%	0.739	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-9	-178.7	-164.9	0	0	0	0	112.8	R72 E73	R72-V75 PolarHBondContact O-N 2.98Å; E73-V75 PolarHBondContact O-N 2.8Å
76	M	72.7	Confident	76.8	Confident	72 Å²	72	80.5 Å²	80.5	36%	0.355	42%	0.415	S	S	.	.			trans	-87.7	129.9	-179.1	-68.9	-154.9	-164.5	0	0	112.9	R53 R72 E73 R78	R53-M76 PolarHBondContact NH2-O 3.05Å; R72-M76 HydrophobicContact CB-CE 4.29Å; R72-M76 VanDerWaalsContact CD-CE 3.43Å; R72-M76 HydrophobicContact CG-CE 3.54Å; R72-M76 VanDerWaalsContact NE-CE 3.27Å; R72-M76 WeakPolarHBondContact O-CG 3.48Å; R72-M76 PolarHBondContact O-N 2.81Å; E73-M76 PolarHBondContact O-N 3.04Å; M76-R78 PolarHBondContact O-N 3.38Å
77	D	77	Confident	77.1	Confident	122 Å²	122	86 Å²	86	65%	0.652	44%	0.441	S	S	*	.	S	Bend	trans	-71.1	-15.9	172.8	-63.9	-24.4	0	0	0	113	V40 T41	V40-D77 CarbonylContact C-O 3.44Å; T41-D77 PolarHBondContact N-O 3.31Å
78	R	85.2	Confident	77.4	Confident	143 Å²	143	85.2 Å²	85.2	54%	0.54	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.2	-178.7	-171.5	179.8	-179.7	-172	8.1	110.6	T41 C43 E48 M76	T41-R78 WeakPolarHBondContact O-CA 3.15Å; C43-R78 PolarHBondContact SG-NE 3.13Å; E48-R78 IonicContact OE1-CZ 3.27Å; E48-R78 IonicContact OE1-NE 3.43Å; E48-R78 IonicContact OE1-NH2 3.43Å; E48-R78 PolarHBondContact OE1-NH2 3.25Å; M76-R78 PolarHBondContact O-N 3.38Å
79	V	85.6	Confident	77.8	Confident	8 Å²	8	80 Å²	80	5%	0.048	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.9	-179.5	-178.7	0	0	0	0	109.2	V40 T41 L42 C43 M66 E73 L81	V40-V79 HydrophobicContact CG2-CG2 4.11Å; T41-V79 PolarHBondContact O-N 3.39Å; L42-V79 CarbonylContact C-O 3.21Å; L42-V79 WeakPolarHBondContact CA-O 3.44Å; L42-V79 HydrophobicContact CD2-CB 3.99Å; L42-V79 HydrophobicContact CD2-CG1 4.44Å; C43-V79 PolarHBondContact N-O 2.89Å; M66-V79 HydrophobicContact SD-CG1 3.96Å; M66-V79 HydrophobicContact SD-CG2 4.47Å; E73-V79 HydrophobicContact CG-CG1 4.44Å; V79-L81 HydrophobicContact CG1-CD2 4.31Å
80	V	84.7	Confident	78.8	Confident	75 Å²	75	79.1 Å²	79.1	46%	0.455	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.6	178	-175.2	0	0	0	0	109	C43	C43-V80 HydrophobicContact CB-CG2 4.19Å; C43-V80 WeakPolarHBondContact O-CA 3.28Å
81	L	85.7	Confident	80.3	Confident	16 Å²	16	74 Å²	74	8%	0.084	36%	0.364	C	S	.	.			trans	-97.1	113.6	176	-63.3	172.2	0	0	0	108.4	L42 C43 V79 L89 F118	L42-L81 HydrophobicContact CD1-CD1 4.47Å; L42-L81 HydrophobicContact CD2-CD1 4.48Å; C43-L81 PolarHBondContact O-N 3.48Å; V79-L81 HydrophobicContact CG1-CD2 4.31Å; L81-L89 HydrophobicContact CD1-CD1 3.92Å; L81-L89 HydrophobicContact CD1-CD2 3.85Å; L81-F118 HydrophobicContact CD1-CE1 4.06Å; L81-F118 HydrophobicContact CD1-CZ 3.82Å; L81-F118 HydrophobicContact CD2-CE1 4.19Å
82	H	80.6	Confident	81.6	Confident	151 Å²	151	68.9 Å²	68.9	70%	0.699	34%	0.337	S	S	*	.			trans	-85.3	150.1	177.9	-64.4	-72.9	0	0	0	110.5	V84	H82-V84 VanDerWaalsContact C-N 3.32Å; H82-V84 PolarHBondContact O-N 2.99Å
83	E	79.3	Confident	83.1	Confident	206 Å²	206	59.8 Å²	59.8	96%	0.963	30%	0.303	S	S	*	.	S	Bend	trans	65.2	23.6	174.8	-52.9	-174.8	166.9	0	0	116.1
84	V	83.4	Confident	84.4	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.042	30%	0.304	C	S	.	.			trans	-123.3	132.5	177.1	-179.1	0	0	0	0	111.1	H82 A86 L89 T114 L117 F118	H82-V84 VanDerWaalsContact C-N 3.32Å; H82-V84 PolarHBondContact O-N 2.99Å; V84-A86 PolarHBondContact O-N 3.38Å; V84-L89 HydrophobicContact CG1-CB 4.17Å; V84-T114 HydrophobicContact CG1-CG2 4Å; V84-L117 HydrophobicContact CG2-CD2 4.13Å; V84-F118 HydrophobicContact CB-CZ 4.41Å; V84-F118 HydrophobicContact CG1-CE2 3.83Å; V84-F118 HydrophobicContact CG1-CZ 4.14Å; V84-F118 HydrophobicContact CG2-CE2 4.1Å; V84-F118 HydrophobicContact CG2-CZ 3.74Å
85	S	88.6	Confident	85.7	Confident	27 Å²	27	59.9 Å²	59.9	19%	0.189	30%	0.302	C	S	.	.			trans	-61.7	129	173	176.2	0	0	0	0	111.1	E45 E87 L88 L89	E45-S85 WeakPolarHBondContact OE2-CA 3.44Å; S85-E87 PolarHBondContact O-N 3.11Å; S85-E87 PolarHBondContact OG-N 3.46Å; S85-L88 PolarHBondContact O-N 3.3Å; S85-L89 PolarHBondContact O-N 3.45Å
86	A	89.1	Confident	87	Confident	2 Å²	2	54.6 Å²	54.6	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-30.4	178.8	0	0	0	0	0	112.8	A44 E45 R47 F49 V84 G90	A44-A86 HydrophobicContact CB-CB 4.37Å; A44-A86 WeakPolarHBondContact O-CB 3.36Å; E45-A86 HydrophobicContact CB-CB 4.1Å; E45-A86 PolarHBondContact OE2-N 2.92Å; R47-A86 HydrophobicContact CB-CB 3.87Å; R47-A86 HydrophobicContact CG-CB 4.14Å; F49-A86 HydrophobicContact CE2-CB 4.28Å; F49-A86 HydrophobicContact CZ-CB 4.3Å; F49-A86 WeakPolarHBondContact CZ-O 3.37Å; V84-A86 PolarHBondContact O-N 3.38Å; A86-G90 PolarHBondContact O-N 3.47Å
87	E	90.4	Very high	87.9	Confident	132 Å²	132	51.2 Å²	51.2	62%	0.617	25%	0.253	S	S	*	.	H	α-helix	trans	-65	-48	177.5	-175.8	173.8	177.7	0	0	111.7	S85 G90 L91	S85-E87 PolarHBondContact O-N 3.11Å; S85-E87 PolarHBondContact OG-N 3.46Å; E87-G90 WeakPolarHBondContact O-CA 3.31Å; E87-G90 PolarHBondContact O-N 3.29Å; E87-G90 VanDerWaalsContact O-N 3.17Å; E87-L91 PolarHBondContact O-N 2.9Å
88	L	90.3	Very high	88.5	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-69.9	-38.2	-179.9	-62.1	179.9	0	0	0	112.6	S85 G90 L91 L92 N107 L110 L111 T114	S85-L88 PolarHBondContact O-N 3.3Å; L88-G90 PolarHBondContact O-N 3.21Å; L88-L91 HydrophobicContact CD2-CD1 4.11Å; L88-L91 PolarHBondContact O-N 2.93Å; L88-L92 WeakPolarHBondContact O-CG 3.31Å; L88-L92 PolarHBondContact O-N 3.34Å; L88-N107 HydrophobicContact CD2-CB 4.23Å; L88-L110 HydrophobicContact CD1-CB 3.57Å; L88-L110 HydrophobicContact CD1-CD2 3.4Å; L88-L110 VanDerWaalsContact CD1-CD2 3.4Å; L88-L110 HydrophobicContact CD1-CG 3.23Å; L88-L111 HydrophobicContact CD2-CB 4.16Å; L88-L111 HydrophobicContact CD2-CD1 4.28Å; L88-T114 HydrophobicContact CD1-CG2 4.19Å
89	L	90.8	Very high	88.6	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-41.1	171.3	-176.7	64.9	0	0	0	110.3	L42 A44 F49 L81 V84 S85 L91 L92 V93 F118	L42-L89 HydrophobicContact CB-CD2 4.39Å; A44-L89 HydrophobicContact CB-CD2 3.58Å; F49-L89 HydrophobicContact CD2-CD2 3.98Å; F49-L89 HydrophobicContact CE2-CD2 4.09Å; L81-L89 HydrophobicContact CD1-CD1 3.92Å; L81-L89 HydrophobicContact CD1-CD2 3.85Å; V84-L89 HydrophobicContact CG1-CB 4.17Å; S85-L89 PolarHBondContact O-N 3.45Å; L89-L91 PolarHBondContact O-N 3.24Å; L89-L92 PolarHBondContact O-N 2.84Å; L89-V93 HydrophobicContact CD1-CG2 4.23Å; L89-V93 HydrophobicContact CG-CG2 4.26Å; L89-V93 WeakPolarHBondContact O-CB 3.45Å; L89-V93 WeakPolarHBondContact O-CG2 3.18Å; L89-V93 PolarHBondContact O-N 3.18Å; L89-F118 HydrophobicContact CD1-CE2 3.92Å; L89-F118 HydrophobicContact CD1-CZ 4.22Å
90	G	90.5	Very high	88.7	Confident	9 Å²	9	52.2 Å²	52.2	9%	0.093	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-48.4	172.8	0	0	0	0	0	112.7	A86 E87 L88 L92 V93 D94	A86-G90 PolarHBondContact O-N 3.47Å; E87-G90 WeakPolarHBondContact O-CA 3.31Å; E87-G90 PolarHBondContact O-N 3.29Å; E87-G90 VanDerWaalsContact O-N 3.17Å; L88-G90 PolarHBondContact O-N 3.21Å; G90-L92 PolarHBondContact O-N 2.9Å; G90-V93 PolarHBondContact O-N 3.02Å; G90-D94 WeakPolarHBondContact O-CB 3.5Å; G90-D94 VanDerWaalsContact O-CG 3.22Å; G90-D94 PolarHBondContact O-N 3.33Å
91	L	92	Very high	89.1	Confident	45 Å²	45	50.4 Å²	50.4	24%	0.236	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-42.6	177.6	-68.2	176	0	0	0	112.8	E87 L88 L89 D94 F95	E87-L91 PolarHBondContact O-N 2.9Å; L88-L91 HydrophobicContact CD2-CD1 4.11Å; L88-L91 PolarHBondContact O-N 2.93Å; L89-L91 PolarHBondContact O-N 3.24Å; L91-D94 PolarHBondContact O-N 2.94Å; L91-F95 WeakPolarHBondContact O-CB 3.19Å; L91-F95 PolarHBondContact O-N 3.45Å
92	L	92.9	Very high	89.3	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-40.3	177.8	-68.2	176.8	0	0	0	111.8	L88 L89 G90 D94 F95 C96 L111 A115 F118 F120 V123	L88-L92 WeakPolarHBondContact O-CG 3.31Å; L88-L92 PolarHBondContact O-N 3.34Å; L89-L92 PolarHBondContact O-N 2.84Å; G90-L92 PolarHBondContact O-N 2.9Å; L92-D94 VanDerWaalsContact C-N 3.35Å; L92-F95 WeakPolarHBondContact O-CB 3.46Å; L92-F95 PolarHBondContact O-N 3.41Å; L92-C96 PolarHBondContact O-N 2.8Å; L92-C96 VanDerWaalsContact O-N 3.08Å; L92-C96 PolarHBondContact O-SG 3.17Å; L92-L111 HydrophobicContact CD2-CD1 4.05Å; L92-L111 HydrophobicContact CG-CD1 4.3Å; L92-A115 HydrophobicContact CD2-CB 4.38Å; L92-F118 HydrophobicContact CD1-CD2 3.75Å; L92-F118 HydrophobicContact CD1-CE2 4.45Å; L92-F120 HydrophobicContact CB-CE2 4.18Å; L92-F120 HydrophobicContact CD1-CD2 4.19Å; L92-F120 HydrophobicContact CD1-CE2 4.29Å; L92-F120 HydrophobicContact CD2-CD2 4.07Å; L92-F120 HydrophobicContact CD2-CG 4.39Å; L92-V123 HydrophobicContact CD2-CB 4.33Å; L92-V123 HydrophobicContact CD2-CG1 3.92Å; L92-V123 HydrophobicContact CD2-CG2 4.17Å
93	V	92	Very high	89.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-42.9	174.2	174.6	0	0	0	0	109.5	R32 L42 C51 L56 L89 G90 F95 C96 Y97	R32-V93 PolarHBondContact NH1-O 2.88Å; L42-V93 HydrophobicContact CD1-CG2 4.14Å; C51-V93 VanDerWaalsContact SG-CG1 3.52Å; L56-V93 HydrophobicContact CD2-CG2 4.47Å; L89-V93 HydrophobicContact CD1-CG2 4.23Å; L89-V93 HydrophobicContact CG-CG2 4.26Å; L89-V93 WeakPolarHBondContact O-CB 3.45Å; L89-V93 WeakPolarHBondContact O-CG2 3.18Å; L89-V93 PolarHBondContact O-N 3.18Å; G90-V93 PolarHBondContact O-N 3.02Å; V93-F95 VanDerWaalsContact C-N 3.3Å; V93-F95 PolarHBondContact O-N 3.49Å; V93-C96 WeakPolarHBondContact O-CB 3.39Å; V93-C96 PolarHBondContact O-N 2.77Å; V93-C96 VanDerWaalsContact O-N 3.13Å; V93-Y97 HydrophobicContact CG1-CE2 4.26Å; V93-Y97 VanDerWaalsContact O-CD2 3.23Å; V93-Y97 WeakPolarHBondContact O-CD2 3.4Å
94	D	91.4	Very high	90.4	Very high	70 Å²	70	41.5 Å²	41.5	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-36.2	175.9	-70.7	-12.5	0	0	0	112.3	R32 G90 L91 L92 C96 Y97 T98	R32-D94 IonicContact CZ-OD1 2.59Å; R32-D94 IonicContact NH1-OD1 2.75Å; R32-D94 PolarHBondContact NH1-OD1 2.97Å; R32-D94 IonicContact NH2-OD1 3.65Å; R32-D94 PolarHBondContact NH2-OD1 2.86Å; G90-D94 WeakPolarHBondContact O-CB 3.5Å; G90-D94 VanDerWaalsContact O-CG 3.22Å; G90-D94 PolarHBondContact O-N 3.33Å; L91-D94 PolarHBondContact O-N 2.94Å; L92-D94 VanDerWaalsContact C-N 3.35Å; D94-C96 VanDerWaalsContact C-N 3.32Å; D94-C96 PolarHBondContact O-N 2.8Å; D94-Y97 PolarHBondContact O-N 3.46Å; D94-Y97 VanDerWaalsContact O-N 3.14Å; D94-T98 WeakPolarHBondContact O-CB 3.38Å; D94-T98 WeakPolarHBondContact O-CG2 3.28Å; D94-T98 PolarHBondContact O-N 3.34Å; D94-T98 PolarHBondContact O-OG1 3.22Å
95	F	93.2	Very high	90.6	Very high	38 Å²	38	48.1 Å²	48.1	17%	0.167	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-41.7	171	173.9	-96.6	0	0	0	112	L91 L92 V93 Y97 T98 G99 V101 F120 V123	L91-F95 WeakPolarHBondContact O-CB 3.19Å; L91-F95 PolarHBondContact O-N 3.45Å; L92-F95 WeakPolarHBondContact O-CB 3.46Å; L92-F95 PolarHBondContact O-N 3.41Å; V93-F95 VanDerWaalsContact C-N 3.3Å; V93-F95 PolarHBondContact O-N 3.49Å; F95-Y97 PolarHBondContact O-N 3.19Å; F95-Y97 VanDerWaalsContact O-N 3.11Å; F95-T98 PolarHBondContact O-N 3.33Å; F95-G99 WeakPolarHBondContact O-CA 3.42Å; F95-G99 PolarHBondContact O-N 3.37Å; F95-V101 HydrophobicContact CD2-CB 4.13Å; F95-V101 HydrophobicContact CD2-CG1 4.33Å; F95-F120 HydrophobicContact CD1-CD1 4.16Å; F95-F120 HydrophobicContact CD1-CE1 4.4Å; F95-F120 HydrophobicContact CE1-CD1 4.19Å; F95-V123 HydrophobicContact CD1-CG2 3.68Å; F95-V123 HydrophobicContact CD2-CG2 3.92Å; F95-V123 HydrophobicContact CE1-CG2 3.68Å; F95-V123 HydrophobicContact CE2-CG2 3.92Å; F95-V123 HydrophobicContact CG-CG2 3.8Å; F95-V123 HydrophobicContact CZ-CG2 3.8Å
96	C	92.3	Very high	90.5	Very high	10 Å²	10	54.3 Å²	54.3	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-57.7	-27.9	176.9	-62.9	0	0	0	0	113.8	V55 L56 A59 L92 V93 D94 F120	V55-C96 HydrophobicContact CG1-CB 4.17Å; V55-C96 WeakPolarHBondContact CG1-O 3.36Å; L56-C96 HydrophobicContact CD2-CB 4.22Å; A59-C96 HydrophobicContact CB-CB 3.93Å; A59-C96 VanDerWaalsContact CB-SG 3.55Å; L92-C96 PolarHBondContact O-N 2.8Å; L92-C96 VanDerWaalsContact O-N 3.08Å; L92-C96 PolarHBondContact O-SG 3.17Å; V93-C96 WeakPolarHBondContact O-CB 3.39Å; V93-C96 PolarHBondContact O-N 2.77Å; V93-C96 VanDerWaalsContact O-N 3.13Å; D94-C96 VanDerWaalsContact C-N 3.32Å; D94-C96 PolarHBondContact O-N 2.8Å; C96-F120 WeakPolarHBondContact SG-CE1 3.43Å; C96-F120 VanDerWaalsContact SG-CZ 3.56Å
97	Y	90.6	Very high	90.6	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-101.8	-20.3	-178.1	-70.6	-100.1	0	0	0	113.6	L25 I28 R32 H52 V55 V93 D94 F95	L25-Y97 WeakPolarHBondContact CG-O 3.28Å; I28-Y97 HydrophobicContact CG2-CD1 3.77Å; I28-Y97 HydrophobicContact CG2-CE1 3.66Å; R32-Y97 HydrophobicContact CB-CD1 4.05Å; R32-Y97 HydrophobicContact CB-CE1 3.95Å; R32-Y97 HydrophobicContact CG-CE1 4.35Å; R32-Y97 VanDerWaalsContact NH1-CD2 3.26Å; H52-Y97 PolarHBondContact N-OH 3.14Å; H52-Y97 AromaticContact ND1-CE1 3.38Å; H52-Y97 WeakPolarHBondContact ND1-CE1 3.37Å; H52-Y97 AromaticContact ND1-CZ 3.55Å; H52-Y97 PolarHBondContact ND1-OH 3.5Å; V55-Y97 HydrophobicContact CB-CE1 4.33Å; V55-Y97 HydrophobicContact CB-CE2 4.49Å; V55-Y97 HydrophobicContact CG1-CD1 4.3Å; V55-Y97 HydrophobicContact CG1-CD2 4.2Å; V55-Y97 HydrophobicContact CG1-CE1 4.02Å; V55-Y97 HydrophobicContact CG1-CE2 3.93Å; V55-Y97 HydrophobicContact CG1-CG 4.37Å; V55-Y97 HydrophobicContact CG2-CE1 4.13Å; V93-Y97 HydrophobicContact CG1-CE2 4.26Å; V93-Y97 VanDerWaalsContact O-CD2 3.23Å; V93-Y97 WeakPolarHBondContact O-CD2 3.4Å; D94-Y97 PolarHBondContact O-N 3.46Å; D94-Y97 VanDerWaalsContact O-N 3.14Å; F95-Y97 PolarHBondContact O-N 3.19Å; F95-Y97 VanDerWaalsContact O-N 3.11Å
98	T	89.4	Confident	90.6	Very high	49 Å²	49	49.4 Å²	49.4	30%	0.301	27%	0.266	S	S	.	.	H	α-helix	trans	-118.2	-20.1	-172	64.3	0	0	0	0	113.5	D94 F95 R100	D94-T98 WeakPolarHBondContact O-CB 3.38Å; D94-T98 WeakPolarHBondContact O-CG2 3.28Å; D94-T98 PolarHBondContact O-N 3.34Å; D94-T98 PolarHBondContact O-OG1 3.22Å; F95-T98 PolarHBondContact O-N 3.33Å; T98-R100 PolarHBondContact O-N 2.71Å; T98-R100 PolarHBondContact OG1-N 3.21Å; T98-R100 PolarHBondContact OG1-O 3.5Å
99	G	87.5	Confident	90.5	Very high	46 Å²	46	52.9 Å²	52.9	47%	0.474	29%	0.285	S	S	.	.	S	Bend	trans	65.6	14.9	-169	0	0	0	0	0	113.8	F95	F95-G99 WeakPolarHBondContact O-CA 3.42Å; F95-G99 PolarHBondContact O-N 3.37Å
100	R	88.9	Confident	90.4	Very high	198 Å²	198	56.8 Å²	56.8	75%	0.747	31%	0.305	S	S	*	.			trans	-122.4	138.7	-176.1	-66.1	178.1	176.8	165.8	-1.3	110.7	T98	T98-R100 PolarHBondContact O-N 2.71Å; T98-R100 PolarHBondContact OG1-N 3.21Å; T98-R100 PolarHBondContact OG1-O 3.5Å
101	V	92.8	Very high	90.5	Very high	38 Å²	38	56.3 Å²	56.3	23%	0.23	30%	0.301	C	S	.	.			trans	-141.4	141.8	174.7	66.1	0	0	0	0	108.6	F95 V103 L111 V123	F95-V101 HydrophobicContact CD2-CB 4.13Å; F95-V101 HydrophobicContact CD2-CG1 4.33Å; V101-V103 HydrophobicContact CG1-CG2 4.47Å; V101-L111 HydrophobicContact CG2-CD2 4.01Å; V101-V123 HydrophobicContact CG1-CG1 4.27Å; V101-V123 HydrophobicContact CG1-CG2 4.35Å; V101-V123 HydrophobicContact CG2-CG1 4.32Å
102	T	90.4	Very high	90.4	Very high	101 Å²	101	54.2 Å²	54.2	62%	0.62	29%	0.29	S	S	*	.			trans	-105	113.9	177.7	-53.8	0	0	0	0	108.8	T104 N107	T102-T104 HydrophobicContact CG2-CG2 4.28Å; T102-N107 PolarHBondContact O-ND2 3.22Å
103	V	92	Very high	90.3	Very high	29 Å²	29	58.1 Å²	58.1	18%	0.176	31%	0.307	C	S	.	.			trans	-96.3	129.6	177.9	-172.5	0	0	0	0	108.9	V101 V108 L111 F130	V101-V103 HydrophobicContact CG1-CG2 4.47Å; V103-V108 HydrophobicContact CG1-CB 3.92Å; V103-V108 HydrophobicContact CG1-CG2 3.8Å; V103-L111 HydrophobicContact CG2-CD2 4.09Å; V103-F130 HydrophobicContact CB-CD2 4.49Å; V103-F130 HydrophobicContact CB-CG 4.43Å; V103-F130 HydrophobicContact CG1-CB 3.92Å; V103-F130 HydrophobicContact CG1-CD1 3.95Å; V103-F130 HydrophobicContact CG1-CD2 4.27Å; V103-F130 HydrophobicContact CG1-CG 3.78Å
104	T	90.7	Very high	90.2	Very high	56 Å²	56	58.3 Å²	58.3	34%	0.344	31%	0.308	S	S	.	.			trans	-130.2	165.7	179.5	69.2	0	0	0	0	110	T102 D106 N107 V108	T102-T104 HydrophobicContact CG2-CG2 4.28Å; T104-D106 VanDerWaalsContact C-N 3.28Å; T104-D106 PolarHBondContact O-N 2.85Å; T104-N107 PolarHBondContact N-OD1 3.36Å; T104-N107 PolarHBondContact O-N 3.21Å; T104-N107 PolarHBondContact O-OD1 3.23Å; T104-N107 PolarHBondContact OG1-N 3.38Å; T104-N107 PolarHBondContact OG1-ND2 3.37Å; T104-N107 PolarHBondContact OG1-OD1 2.99Å; T104-V108 WeakPolarHBondContact O-CB 3.14Å; T104-V108 PolarHBondContact O-N 2.98Å
105	Q	86.2	Confident	90.2	Very high	146 Å²	146	55 Å²	55	68%	0.682	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.6	-179.5	-172.6	169.5	-3.5	0	0	112.9
106	D	87.6	Confident	90.1	Very high	157 Å²	157	56 Å²	56	84%	0.84	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-25.7	-178.8	-56	-40.1	0	0	0	112.7	T104	T104-D106 VanDerWaalsContact C-N 3.28Å; T104-D106 PolarHBondContact O-N 2.85Å
107	N	90.4	Very high	90	Very high	26 Å²	26	60.1 Å²	60.1	14%	0.139	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-21.1	-174.9	80.2	9.7	0	0	0	114	L88 T102 T104 D109 L110 L111	L88-N107 HydrophobicContact CD2-CB 4.23Å; T102-N107 PolarHBondContact O-ND2 3.22Å; T104-N107 PolarHBondContact N-OD1 3.36Å; T104-N107 PolarHBondContact O-N 3.21Å; T104-N107 PolarHBondContact O-OD1 3.23Å; T104-N107 PolarHBondContact OG1-N 3.38Å; T104-N107 PolarHBondContact OG1-ND2 3.37Å; T104-N107 PolarHBondContact OG1-OD1 2.99Å; N107-D109 PolarHBondContact O-N 2.81Å; N107-L110 PolarHBondContact O-N 3.38Å; N107-L111 WeakPolarHBondContact O-CB 3.38Å; N107-L111 PolarHBondContact O-N 3.15Å
108	V	89.9	Confident	90.1	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.024	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-42.1	-166.7	64.1	0	0	0	0	113.5	V103 T104 L112 C127 F130 L131	V103-V108 HydrophobicContact CG1-CB 3.92Å; V103-V108 HydrophobicContact CG1-CG2 3.8Å; T104-V108 WeakPolarHBondContact O-CB 3.14Å; T104-V108 PolarHBondContact O-N 2.98Å; V108-L112 VanDerWaalsContact O-CB 3.28Å; V108-L112 WeakPolarHBondContact O-CB 3.22Å; V108-L112 PolarHBondContact O-N 3.36Å; V108-C127 HydrophobicContact CG2-CB 3.99Å; V108-F130 HydrophobicContact CB-CD1 4.28Å; V108-F130 HydrophobicContact CG2-CD1 4.07Å; V108-L131 HydrophobicContact CG1-CD2 3.9Å; V108-L131 HydrophobicContact CG2-CD1 4.24Å; V108-L131 HydrophobicContact CG2-CD2 3.99Å; V108-L131 HydrophobicContact CG2-CG 3.84Å
109	D	88.1	Confident	90.2	Very high	81 Å²	81	62.3 Å²	62.3	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-46.5	-176.6	-62.8	-28	0	0	0	111.7	N107 K113 F146	N107-D109 PolarHBondContact O-N 2.81Å; D109-K113 WeakPolarHBondContact O-CG 3.45Å; D109-K113 PolarHBondContact O-N 3.43Å; D109-F146 HydrophobicContact CB-CE2 4.39Å
110	L	89.6	Confident	90.5	Very high	83 Å²	83	60.3 Å²	60.3	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-80.9	-30.5	-177.9	-167.2	66.4	0	0	0	111.3	L88 N107 K113 T114	L88-L110 HydrophobicContact CD1-CB 3.57Å; L88-L110 HydrophobicContact CD1-CD2 3.4Å; L88-L110 VanDerWaalsContact CD1-CD2 3.4Å; L88-L110 HydrophobicContact CD1-CG 3.23Å; N107-L110 PolarHBondContact O-N 3.38Å; L110-K113 HydrophobicContact CD1-CD 4.28Å; L110-K113 PolarHBondContact O-N 2.99Å; L110-T114 WeakPolarHBondContact O-CB 3.18Å; L110-T114 WeakPolarHBondContact O-CG2 3.24Å; L110-T114 PolarHBondContact O-N 2.86Å; L110-T114 PolarHBondContact O-OG1 2.95Å
111	L	92	Very high	90.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-43.2	172.8	-177.4	61	0	0	0	111.2	L88 L92 V101 V103 N107 T114 A115 V123	L88-L111 HydrophobicContact CD2-CB 4.16Å; L88-L111 HydrophobicContact CD2-CD1 4.28Å; L92-L111 HydrophobicContact CD2-CD1 4.05Å; L92-L111 HydrophobicContact CG-CD1 4.3Å; V101-L111 HydrophobicContact CG2-CD2 4.01Å; V103-L111 HydrophobicContact CG2-CD2 4.09Å; N107-L111 WeakPolarHBondContact O-CB 3.38Å; N107-L111 PolarHBondContact O-N 3.15Å; L111-T114 WeakPolarHBondContact CA-OG1 3.4Å; L111-T114 PolarHBondContact O-N 3.41Å; L111-T114 PolarHBondContact O-OG1 3.48Å; L111-A115 WeakPolarHBondContact O-CB 3.19Å; L111-A115 PolarHBondContact O-N 3.06Å; L111-V123 HydrophobicContact CD1-CG1 4.3Å; L111-V123 HydrophobicContact CD2-CG1 4.44Å; L111-V123 HydrophobicContact CG-CG1 4.23Å
112	L	90.8	Very high	90.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-43.4	176.2	-171.2	150.4	0	0	0	111.1	V108 T114 A115 D116 K124 C127 L131 F146 Y150	V108-L112 VanDerWaalsContact O-CB 3.28Å; V108-L112 WeakPolarHBondContact O-CB 3.22Å; V108-L112 PolarHBondContact O-N 3.36Å; L112-T114 VanDerWaalsContact C-N 3.35Å; L112-T114 PolarHBondContact O-N 3.43Å; L112-A115 PolarHBondContact O-N 3.48Å; L112-D116 WeakPolarHBondContact O-CB 3.33Å; L112-D116 PolarHBondContact O-N 2.89Å; L112-K124 HydrophobicContact CG-CG 4.34Å; L112-C127 HydrophobicContact CB-CB 3.93Å; L112-C127 HydrophobicContact CD1-CB 3.71Å; L112-C127 HydrophobicContact CG-CB 4.17Å; L112-L131 HydrophobicContact CD1-CD1 4.32Å; L112-F146 HydrophobicContact CB-CE1 4.28Å; L112-F146 HydrophobicContact CB-CZ 4.12Å; L112-F146 HydrophobicContact CD1-CE1 3.75Å; L112-F146 HydrophobicContact CD1-CZ 4.43Å; L112-F146 HydrophobicContact CD2-CE1 3.62Å; L112-F146 HydrophobicContact CD2-CZ 3.77Å; L112-F146 HydrophobicContact CG-CE1 4.06Å; L112-F146 HydrophobicContact CG-CZ 4.3Å; L112-Y150 HydrophobicContact CD2-CD1 4.4Å; L112-Y150 HydrophobicContact CD2-CD2 3.94Å; L112-Y150 HydrophobicContact CD2-CG 3.76Å
113	K	89.9	Confident	90.7	Very high	84 Å²	84	51.6 Å²	51.6	37%	0.365	28%	0.277	S	S	.	.	H	α-helix	trans	-55.3	-48	173.7	-75.1	174.5	-163	-176	0	112.5	D109 L110 D116 L117 Y150	D109-K113 WeakPolarHBondContact O-CG 3.45Å; D109-K113 PolarHBondContact O-N 3.43Å; L110-K113 HydrophobicContact CD1-CD 4.28Å; L110-K113 PolarHBondContact O-N 2.99Å; K113-D116 PolarHBondContact O-N 2.89Å; K113-L117 WeakPolarHBondContact O-CB 3.43Å; K113-L117 PolarHBondContact O-N 2.82Å; K113-Y150 HydrophobicContact CB-CE1 4.49Å; K113-Y150 WeakPolarHBondContact CD-OH 3.2Å; K113-Y150 WeakPolarHBondContact CE-OH 3.38Å; K113-Y150 HydrophobicContact CG-CE1 3.77Å; K113-Y150 HydrophobicContact CG-CE2 4Å; K113-Y150 VanDerWaalsContact CG-CZ 3.4Å; K113-Y150 VanDerWaalsContact CG-OH 3.24Å; K113-Y150 WeakPolarHBondContact CG-OH 3.46Å
114	T	90.2	Very high	90.6	Very high	6 Å²	6	52 Å²	52	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-72.5	-37.1	-178.9	49.6	0	0	0	0	112.2	V84 L88 L110 L111 L112 D116 L117 F118	V84-T114 HydrophobicContact CG1-CG2 4Å; L88-T114 HydrophobicContact CD1-CG2 4.19Å; L110-T114 WeakPolarHBondContact O-CB 3.18Å; L110-T114 WeakPolarHBondContact O-CG2 3.24Å; L110-T114 PolarHBondContact O-N 2.86Å; L110-T114 PolarHBondContact O-OG1 2.95Å; L111-T114 WeakPolarHBondContact CA-OG1 3.4Å; L111-T114 PolarHBondContact O-N 3.41Å; L111-T114 PolarHBondContact O-OG1 3.48Å; L112-T114 VanDerWaalsContact C-N 3.35Å; L112-T114 PolarHBondContact O-N 3.43Å; T114-D116 VanDerWaalsContact C-N 3.34Å; T114-L117 PolarHBondContact O-N 2.9Å; T114-F118 WeakPolarHBondContact O-CB 3.45Å; T114-F118 VanDerWaalsContact O-CD2 3.24Å; T114-F118 WeakPolarHBondContact O-CD2 3.24Å; T114-F118 PolarHBondContact O-N 2.89Å
115	A	91.9	Very high	90.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-39.2	173.4	0	0	0	0	0	111.8	L92 L111 L112 Q119 F120 V123 K124	L92-A115 HydrophobicContact CD2-CB 4.38Å; L111-A115 WeakPolarHBondContact O-CB 3.19Å; L111-A115 PolarHBondContact O-N 3.06Å; L112-A115 PolarHBondContact O-N 3.48Å; A115-Q119 CarbonylContact O-C 3.3Å; A115-Q119 WeakPolarHBondContact O-CA 3.44Å; A115-Q119 PolarHBondContact O-N 3.34Å; A115-F120 HydrophobicContact CB-CB 4.28Å; A115-F120 PolarHBondContact O-N 3Å; A115-V123 HydrophobicContact CB-CB 4.06Å; A115-V123 HydrophobicContact CB-CG1 3.91Å; A115-K124 HydrophobicContact CB-CB 4.44Å
116	D	91.1	Very high	91	Very high	61 Å²	61	50.5 Å²	50.5	33%	0.326	27%	0.272	S	S	.	.	H	α-helix	trans	-67.2	-48.6	174.8	-170.3	67.9	0	0	0	111.6	L112 K113 T114 F118 Q119 K124 Y150	L112-D116 WeakPolarHBondContact O-CB 3.33Å; L112-D116 PolarHBondContact O-N 2.89Å; K113-D116 PolarHBondContact O-N 2.89Å; T114-D116 VanDerWaalsContact C-N 3.34Å; D116-F118 VanDerWaalsContact C-N 3.33Å; D116-F118 PolarHBondContact O-N 3.27Å; D116-Q119 PolarHBondContact O-N 3.23Å; D116-K124 HydrophobicContact CB-CD 4.46Å; D116-K124 IonicContact OD1-NZ 2.71Å; D116-K124 PolarHBondContact OD1-NZ 2.67Å; D116-Y150 HydrophobicContact CB-CD1 4.42Å
117	L	91.1	Very high	91.2	Very high	95 Å²	95	43 Å²	43	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-55.4	-46.6	177.5	179.5	65.1	0	0	0	112.2	V84 K113 T114 Q119	V84-L117 HydrophobicContact CG2-CD2 4.13Å; K113-L117 WeakPolarHBondContact O-CB 3.43Å; K113-L117 PolarHBondContact O-N 2.82Å; T114-L117 PolarHBondContact O-N 2.9Å; L117-Q119 VanDerWaalsContact C-N 3.31Å
118	F	91.5	Very high	91.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	7.6	178.9	-62.6	-51	0	0	0	113.8	S60 Y62 F63 L81 V84 L89 L92 T114 D116 F120	S60-F118 WeakPolarHBondContact CB-O 3.43Å; S60-F118 PolarHBondContact OG-O 3.17Å; Y62-F118 WeakPolarHBondContact CB-O 3.37Å; Y62-F118 AromaticContact CD1-CD1 3.57Å; Y62-F118 HydrophobicContact CD1-CD1 3.57Å; Y62-F118 HydrophobicContact CD1-CE1 4.29Å; Y62-F118 AromaticContact CE1-CD1 3.47Å; Y62-F118 HydrophobicContact CE1-CD1 3.47Å; Y62-F118 VanDerWaalsContact CE1-CD1 3.47Å; Y62-F118 AromaticContact CE1-CE1 3.73Å; Y62-F118 HydrophobicContact CE1-CE1 3.73Å; Y62-F118 HydrophobicContact CG-CD1 4.27Å; F63-F118 HydrophobicContact CE2-CB 4.46Å; F63-F118 HydrophobicContact CZ-CD1 4.17Å; F63-F118 HydrophobicContact CZ-CE1 4.43Å; F63-F118 HydrophobicContact CZ-CG 4.44Å; L81-F118 HydrophobicContact CD1-CE1 4.06Å; L81-F118 HydrophobicContact CD1-CZ 3.82Å; L81-F118 HydrophobicContact CD2-CE1 4.19Å; V84-F118 HydrophobicContact CB-CZ 4.41Å; V84-F118 HydrophobicContact CG1-CE2 3.83Å; V84-F118 HydrophobicContact CG1-CZ 4.14Å; V84-F118 HydrophobicContact CG2-CE2 4.1Å; V84-F118 HydrophobicContact CG2-CZ 3.74Å; L89-F118 HydrophobicContact CD1-CE2 3.92Å; L89-F118 HydrophobicContact CD1-CZ 4.22Å; L92-F118 HydrophobicContact CD1-CD2 3.75Å; L92-F118 HydrophobicContact CD1-CE2 4.45Å; T114-F118 WeakPolarHBondContact O-CB 3.45Å; T114-F118 VanDerWaalsContact O-CD2 3.24Å; T114-F118 WeakPolarHBondContact O-CD2 3.24Å; T114-F118 PolarHBondContact O-N 2.89Å; D116-F118 VanDerWaalsContact C-N 3.33Å; D116-F118 PolarHBondContact O-N 3.27Å; F118-F120 HydrophobicContact CB-CD2 3.67Å; F118-F120 HydrophobicContact CB-CE2 3.6Å
119	Q	92.6	Very high	91.4	Very high	95 Å²	95	44.4 Å²	44.4	44%	0.444	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	59.4	176.7	-56.5	-179.1	-14.7	0	0	113.1	T61 A115 D116 L117 P121	T61-Q119 WeakPolarHBondContact OG1-CB 3.46Å; T61-Q119 PolarHBondContact OG1-OE1 2.95Å; A115-Q119 CarbonylContact O-C 3.3Å; A115-Q119 WeakPolarHBondContact O-CA 3.44Å; A115-Q119 PolarHBondContact O-N 3.34Å; D116-Q119 PolarHBondContact O-N 3.23Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; Q119-P121 VanDerWaalsContact O-CD 3.32Å; Q119-P121 WeakPolarHBondContact O-CD 3.36Å
120	F	93	Very high	91.6	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.022	24%	0.236	C	C	.	.			trans	-107.5	85	168.8	-72.5	-78.7	0	0	0	110.8	A59 S60 F63 L92 F95 C96 A115 F118 S122 V123 K124	A59-F120 HydrophobicContact CB-CE1 4.06Å; S60-F120 VanDerWaalsContact CB-CZ 3.48Å; F63-F120 HydrophobicContact CD2-CE2 4.47Å; F63-F120 HydrophobicContact CD2-CZ 4.19Å; F63-F120 AromaticContact CE2-CE2 3.96Å; F63-F120 HydrophobicContact CE2-CE2 3.96Å; F63-F120 AromaticContact CE2-CZ 3.96Å; F63-F120 HydrophobicContact CE2-CZ 3.96Å; L92-F120 HydrophobicContact CB-CE2 4.18Å; L92-F120 HydrophobicContact CD1-CD2 4.19Å; L92-F120 HydrophobicContact CD1-CE2 4.29Å; L92-F120 HydrophobicContact CD2-CD2 4.07Å; L92-F120 HydrophobicContact CD2-CG 4.39Å; F95-F120 HydrophobicContact CD1-CD1 4.16Å; F95-F120 HydrophobicContact CD1-CE1 4.4Å; F95-F120 HydrophobicContact CE1-CD1 4.19Å; C96-F120 WeakPolarHBondContact SG-CE1 3.43Å; C96-F120 VanDerWaalsContact SG-CZ 3.56Å; A115-F120 HydrophobicContact CB-CB 4.28Å; A115-F120 PolarHBondContact O-N 3Å; F118-F120 HydrophobicContact CB-CD2 3.67Å; F118-F120 HydrophobicContact CB-CE2 3.6Å; F120-S122 PolarHBondContact O-N 3.23Å; F120-V123 HydrophobicContact CB-CB 4.13Å; F120-V123 HydrophobicContact CB-CG2 4.14Å; F120-V123 PolarHBondContact O-N 3.27Å; F120-K124 PolarHBondContact O-N 3.48Å; F120-K124 VanDerWaalsContact O-N 3.08Å
121	P	90.8	Very high	91.8	Very high	80 Å²	80	39.5 Å²	39.5	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-60.3	-42.7	-173.6	-23.6	33.8	0	0	0	113.5	Q119 V123 K124 E125	Q119-P121 VanDerWaalsContact O-CD 3.32Å; Q119-P121 WeakPolarHBondContact O-CD 3.36Å; P121-V123 VanDerWaalsContact C-N 3.32Å; P121-V123 PolarHBondContact O-N 2.92Å; P121-K124 WeakPolarHBondContact O-CB 3.44Å; P121-K124 PolarHBondContact O-N 3.12Å; P121-E125 WeakPolarHBondContact O-CG 3.42Å; P121-E125 PolarHBondContact O-N 2.98Å
122	S	91.8	Very high	91.8	Very high	74 Å²	74	43.7 Å²	43.7	52%	0.517	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-33.4	-178.5	-50.2	0	0	0	0	113.3	F120 A126	F120-S122 PolarHBondContact O-N 3.23Å; S122-A126 WeakPolarHBondContact O-CB 3.42Å; S122-A126 PolarHBondContact O-N 2.95Å
123	V	92.7	Very high	91.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.2	-40.6	175.1	-180	0	0	0	0	110.1	L92 F95 V101 L111 A115 F120 P121 A126 C127	L92-V123 HydrophobicContact CD2-CB 4.33Å; L92-V123 HydrophobicContact CD2-CG1 3.92Å; L92-V123 HydrophobicContact CD2-CG2 4.17Å; F95-V123 HydrophobicContact CD1-CG2 3.68Å; F95-V123 HydrophobicContact CD2-CG2 3.92Å; F95-V123 HydrophobicContact CE1-CG2 3.68Å; F95-V123 HydrophobicContact CE2-CG2 3.92Å; F95-V123 HydrophobicContact CG-CG2 3.8Å; F95-V123 HydrophobicContact CZ-CG2 3.8Å; V101-V123 HydrophobicContact CG1-CG1 4.27Å; V101-V123 HydrophobicContact CG1-CG2 4.35Å; V101-V123 HydrophobicContact CG2-CG1 4.32Å; L111-V123 HydrophobicContact CD1-CG1 4.3Å; L111-V123 HydrophobicContact CD2-CG1 4.44Å; L111-V123 HydrophobicContact CG-CG1 4.23Å; A115-V123 HydrophobicContact CB-CB 4.06Å; A115-V123 HydrophobicContact CB-CG1 3.91Å; F120-V123 HydrophobicContact CB-CB 4.13Å; F120-V123 HydrophobicContact CB-CG2 4.14Å; F120-V123 PolarHBondContact O-N 3.27Å; P121-V123 VanDerWaalsContact C-N 3.32Å; P121-V123 PolarHBondContact O-N 2.92Å; V123-A126 PolarHBondContact O-N 3.27Å; V123-C127 PolarHBondContact O-N 2.91Å; V123-C127 PolarHBondContact O-SG 3.05Å
124	K	91.5	Very high	91.8	Very high	37 Å²	37	55.3 Å²	55.3	16%	0.161	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-46	174	-179.8	179.6	179.8	175.1	0	111.6	L112 A115 D116 F120 P121 C127 C128 Y150 C152	L112-K124 HydrophobicContact CG-CG 4.34Å; A115-K124 HydrophobicContact CB-CB 4.44Å; D116-K124 HydrophobicContact CB-CD 4.46Å; D116-K124 IonicContact OD1-NZ 2.71Å; D116-K124 PolarHBondContact OD1-NZ 2.67Å; F120-K124 PolarHBondContact O-N 3.48Å; F120-K124 VanDerWaalsContact O-N 3.08Å; P121-K124 WeakPolarHBondContact O-CB 3.44Å; P121-K124 PolarHBondContact O-N 3.12Å; K124-C127 PolarHBondContact O-N 3.19Å; K124-C128 PolarHBondContact O-N 3.2Å; K124-C128 PolarHBondContact O-SG 2.75Å; K124-Y150 WeakPolarHBondContact CE-O 3.39Å; K124-Y150 PolarHBondContact NZ-O 2.92Å; K124-C152 WeakPolarHBondContact CE-SG 3.26Å
125	E	91.5	Very high	91.9	Very high	129 Å²	129	56.2 Å²	56.2	60%	0.603	29%	0.291	S	S	*	.	H	α-helix	trans	-60.2	-45.1	174.8	-76.1	170.1	-168.8	0	0	111.7	P121 C127 C128 A129	P121-E125 WeakPolarHBondContact O-CG 3.42Å; P121-E125 PolarHBondContact O-N 2.98Å; E125-C127 VanDerWaalsContact C-N 3.33Å; E125-C127 PolarHBondContact O-N 2.81Å; E125-C128 WeakPolarHBondContact O-CB 3.4Å; E125-C128 PolarHBondContact O-N 3.33Å; E125-C128 VanDerWaalsContact O-N 3.16Å; E125-A129 PolarHBondContact O-N 3.4Å
126	A	92.3	Very high	92	Very high	41 Å²	41	60.1 Å²	60.1	34%	0.339	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-39.6	176.3	0	0	0	0	0	112.5	S122 V123 A129 F130	S122-A126 WeakPolarHBondContact O-CB 3.42Å; S122-A126 PolarHBondContact O-N 2.95Å; V123-A126 PolarHBondContact O-N 3.27Å; A126-A129 PolarHBondContact O-N 3.45Å; A126-F130 PolarHBondContact O-N 3.44Å
127	C	92.9	Very high	92	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-40.4	174.2	-64.5	0	0	0	0	111.5	V108 L112 V123 K124 E125 F130 L131	V108-C127 HydrophobicContact CG2-CB 3.99Å; L112-C127 HydrophobicContact CB-CB 3.93Å; L112-C127 HydrophobicContact CD1-CB 3.71Å; L112-C127 HydrophobicContact CG-CB 4.17Å; V123-C127 PolarHBondContact O-N 2.91Å; V123-C127 PolarHBondContact O-SG 3.05Å; K124-C127 PolarHBondContact O-N 3.19Å; E125-C127 VanDerWaalsContact C-N 3.33Å; E125-C127 PolarHBondContact O-N 2.81Å; C127-F130 PolarHBondContact O-N 3.22Å; C127-L131 WeakPolarHBondContact O-CG 3.39Å; C127-L131 PolarHBondContact O-N 3.5Å
128	C	92.6	Very high	91.9	Very high	18 Å²	18	58.4 Å²	58.4	12%	0.122	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-45.2	176.3	-66.7	0	0	0	0	111.8	K124 E125 F130 L131 E132 C152 L155	K124-C128 PolarHBondContact O-N 3.2Å; K124-C128 PolarHBondContact O-SG 2.75Å; E125-C128 WeakPolarHBondContact O-CB 3.4Å; E125-C128 PolarHBondContact O-N 3.33Å; E125-C128 VanDerWaalsContact O-N 3.16Å; C128-F130 VanDerWaalsContact C-N 3.29Å; C128-F130 PolarHBondContact O-N 3.34Å; C128-L131 PolarHBondContact O-N 2.77Å; C128-E132 WeakPolarHBondContact O-CB 3.31Å; C128-E132 PolarHBondContact O-N 2.68Å; C128-C152 PolarHBondContact SG-SG 3.2Å; C128-L155 HydrophobicContact CB-CB 4.21Å; C128-L155 HydrophobicContact CB-CD2 4.24Å
129	A	91.9	Very high	91.9	Very high	42 Å²	42	60.2 Å²	60.2	35%	0.347	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-36.6	176.7	0	0	0	0	0	112.2	E125 A126 E132 Q133	E125-A129 PolarHBondContact O-N 3.4Å; A126-A129 PolarHBondContact O-N 3.45Å; A129-E132 PolarHBondContact O-N 2.97Å; A129-Q133 WeakPolarHBondContact O-CG 3.01Å; A129-Q133 PolarHBondContact O-N 3.21Å
130	F	92.9	Very high	91.9	Very high	48 Å²	48	55.7 Å²	55.7	21%	0.211	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-43.6	174.9	-176.9	-92.6	0	0	0	112.2	V103 V108 A126 C127 C128 Q133	V103-F130 HydrophobicContact CB-CD2 4.49Å; V103-F130 HydrophobicContact CB-CG 4.43Å; V103-F130 HydrophobicContact CG1-CB 3.92Å; V103-F130 HydrophobicContact CG1-CD1 3.95Å; V103-F130 HydrophobicContact CG1-CD2 4.27Å; V103-F130 HydrophobicContact CG1-CG 3.78Å; V108-F130 HydrophobicContact CB-CD1 4.28Å; V108-F130 HydrophobicContact CG2-CD1 4.07Å; A126-F130 PolarHBondContact O-N 3.44Å; C127-F130 PolarHBondContact O-N 3.22Å; C128-F130 VanDerWaalsContact C-N 3.29Å; C128-F130 PolarHBondContact O-N 3.34Å; F130-Q133 PolarHBondContact O-N 3.08Å
131	L	92.3	Very high	91.8	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-40	176.4	-70.8	173.5	0	0	0	111.7	V108 L112 C127 C128 Q133 R134 L135 I143 F146 L155	V108-L131 HydrophobicContact CG1-CD2 3.9Å; V108-L131 HydrophobicContact CG2-CD1 4.24Å; V108-L131 HydrophobicContact CG2-CD2 3.99Å; V108-L131 HydrophobicContact CG2-CG 3.84Å; L112-L131 HydrophobicContact CD1-CD1 4.32Å; C127-L131 WeakPolarHBondContact O-CG 3.39Å; C127-L131 PolarHBondContact O-N 3.5Å; C128-L131 PolarHBondContact O-N 2.77Å; L131-Q133 PolarHBondContact O-N 3.44Å; L131-R134 CarbonylContact O-C 3.46Å; L131-R134 PolarHBondContact O-N 3.48Å; L131-R134 VanDerWaalsContact O-N 3.08Å; L131-L135 PolarHBondContact O-N 3.13Å; L131-L135 VanDerWaalsContact O-N 3.16Å; L131-I143 HydrophobicContact CB-CG2 4.45Å; L131-I143 HydrophobicContact CD2-CD1 4.45Å; L131-F146 HydrophobicContact CD1-CD1 4.23Å; L131-F146 HydrophobicContact CD1-CE1 4.05Å; L131-L155 HydrophobicContact CB-CD1 4.06Å; L131-L155 HydrophobicContact CB-CD2 3.99Å; L131-L155 HydrophobicContact CD1-CD2 3.76Å
132	E	92.3	Very high	91.8	Very high	88 Å²	88	59.3 Å²	59.3	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-41	178.5	-172.9	170.5	-159.7	0	0	112.4	C128 A129 R134 L135 L155 S158	C128-E132 WeakPolarHBondContact O-CB 3.31Å; C128-E132 PolarHBondContact O-N 2.68Å; A129-E132 PolarHBondContact O-N 2.97Å; E132-R134 PolarHBondContact O-N 3.2Å; E132-L135 HydrophobicContact CG-CD1 4.19Å; E132-L135 PolarHBondContact O-N 3.33Å; E132-L155 HydrophobicContact CB-CD1 3.98Å; E132-S158 WeakPolarHBondContact OE1-CB 3.34Å; E132-S158 PolarHBondContact OE1-OG 3.28Å
133	Q	91.3	Very high	91.8	Very high	165 Å²	165	56.5 Å²	56.5	77%	0.771	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.8	176.1	-70.7	178.1	9.6	0	0	113.9	A129 F130 L131	A129-Q133 WeakPolarHBondContact O-CG 3.01Å; A129-Q133 PolarHBondContact O-N 3.21Å; F130-Q133 PolarHBondContact O-N 3.08Å; L131-Q133 PolarHBondContact O-N 3.44Å
134	R	90.4	Very high	91.9	Very high	162 Å²	162	56.6 Å²	56.6	61%	0.611	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	13.8	-177.4	-66.1	-65.2	-158.7	-177.8	4.9	112.8	L131 E132 D136 N139	L131-R134 CarbonylContact O-C 3.46Å; L131-R134 PolarHBondContact O-N 3.48Å; L131-R134 VanDerWaalsContact O-N 3.08Å; E132-R134 PolarHBondContact O-N 3.2Å; R134-D136 PolarHBondContact O-N 2.9Å; R134-N139 PolarHBondContact O-ND2 3.49Å
135	L	92.5	Very high	91.8	Very high	25 Å²	25	58.5 Å²	58.5	13%	0.131	30%	0.302	C	S	.	.			trans	-60.4	125.6	173.3	-82	167.3	0	0	0	110.5	L131 E132 C140 I143 A159 F162	L131-L135 PolarHBondContact O-N 3.13Å; L131-L135 VanDerWaalsContact O-N 3.16Å; E132-L135 HydrophobicContact CG-CD1 4.19Å; E132-L135 PolarHBondContact O-N 3.33Å; L135-C140 HydrophobicContact CD2-CB 4.25Å; L135-I143 HydrophobicContact CD2-CB 4.12Å; L135-I143 HydrophobicContact CD2-CD1 3.94Å; L135-I143 HydrophobicContact CD2-CG2 3.86Å; L135-A159 HydrophobicContact CD2-CB 3.95Å; L135-F162 HydrophobicContact CB-CD2 4.29Å; L135-F162 HydrophobicContact CB-CE2 4.49Å; L135-F162 HydrophobicContact CB-CG 4.44Å
136	D	92.8	Very high	91.8	Very high	82 Å²	82	53.8 Å²	53.8	44%	0.439	28%	0.28	S	S	.	.			trans	-140.1	163.6	-179.8	-171.3	-106.1	0	0	0	110.4	R134 S138 N139 C140	R134-D136 PolarHBondContact O-N 2.9Å; D136-S138 PolarHBondContact O-N 3.25Å; D136-S138 PolarHBondContact OD1-N 2.97Å; D136-S138 VanDerWaalsContact OD1-N 3.16Å; D136-S138 PolarHBondContact OD1-OG 3.25Å; D136-N139 PolarHBondContact N-OD1 3.31Å; D136-N139 PolarHBondContact O-N 3.15Å; D136-N139 PolarHBondContact O-OD1 2.98Å; D136-C140 VanDerWaalsContact O-CB 3.27Å; D136-C140 WeakPolarHBondContact O-CB 3.41Å; D136-C140 PolarHBondContact O-N 3.21Å
137	V	90.6	Very high	91.8	Very high	30 Å²	30	51.9 Å²	51.9	18%	0.182	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.3	179.6	-177.8	0	0	0	0	111.5	F162 N166 E169 L170	V137-F162 HydrophobicContact CG2-CE1 4.24Å; V137-F162 HydrophobicContact CG2-CZ 4.44Å; V137-N166 HydrophobicContact CG2-CB 4.25Å; V137-E169 HydrophobicContact CG1-CB 4.35Å; V137-E169 HydrophobicContact CG1-CG 4.05Å; V137-L170 HydrophobicContact CG1-CD2 3.6Å; V137-L170 HydrophobicContact CG1-CG 3.95Å; V137-L170 WeakPolarHBondContact O-CD2 3.37Å
138	S	90.1	Very high	91.7	Very high	91 Å²	91	55.8 Å²	55.8	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-23.1	179.7	74	0	0	0	0	114.4	D136	D136-S138 PolarHBondContact O-N 3.25Å; D136-S138 PolarHBondContact OD1-N 2.97Å; D136-S138 VanDerWaalsContact OD1-N 3.16Å; D136-S138 PolarHBondContact OD1-OG 3.25Å
139	N	90.9	Very high	91.6	Very high	39 Å²	39	58.6 Å²	58.6	21%	0.209	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-11	-170.8	69	17.7	0	0	0	114.2	R134 D136 L141 E142 I143	R134-N139 PolarHBondContact O-ND2 3.49Å; D136-N139 PolarHBondContact N-OD1 3.31Å; D136-N139 PolarHBondContact O-N 3.15Å; D136-N139 PolarHBondContact O-OD1 2.98Å; N139-L141 VanDerWaalsContact C-N 3.31Å; N139-L141 PolarHBondContact O-N 3.07Å; N139-E142 PolarHBondContact O-N 3.3Å; N139-I143 HydrophobicContact CB-CD1 4.06Å; N139-I143 HydrophobicContact CB-CG1 4.45Å; N139-I143 VanDerWaalsContact CG-CD1 3.49Å; N139-I143 WeakPolarHBondContact O-CG1 3.39Å; N139-I143 PolarHBondContact O-N 3.36Å; N139-I143 WeakPolarHBondContact OD1-CD1 3.36Å
140	C	92.7	Very high	91.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-34	-170.2	61.1	0	0	0	0	114.1	L135 D136 Q144 F162 V163	L135-C140 HydrophobicContact CD2-CB 4.25Å; D136-C140 VanDerWaalsContact O-CB 3.27Å; D136-C140 WeakPolarHBondContact O-CB 3.41Å; D136-C140 PolarHBondContact O-N 3.21Å; C140-Q144 VanDerWaalsContact O-CB 3.31Å; C140-Q144 WeakPolarHBondContact O-CB 3.49Å; C140-Q144 PolarHBondContact O-N 3.18Å; C140-F162 HydrophobicContact CB-CD1 3.69Å; C140-F162 HydrophobicContact CB-CE1 4.14Å; C140-V163 HydrophobicContact CB-CG2 3.98Å
141	L	91.9	Very high	91.2	Very high	24 Å²	24	60.7 Å²	60.7	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-67.9	-44.6	177.3	-65.4	175.2	0	0	0	111.1	N139 Q144 D145 V163 L179 F187	N139-L141 VanDerWaalsContact C-N 3.31Å; N139-L141 PolarHBondContact O-N 3.07Å; L141-Q144 PolarHBondContact O-N 2.89Å; L141-D145 PolarHBondContact O-N 3.5Å; L141-V163 HydrophobicContact CD2-CG1 4.23Å; L141-V163 HydrophobicContact CD2-CG2 3.93Å; L141-L179 HydrophobicContact CD1-CD1 4.43Å; L141-L179 HydrophobicContact CD1-CD2 4.08Å; L141-L179 HydrophobicContact CD1-CG 4.44Å; L141-L179 HydrophobicContact CD2-CD2 4.15Å; L141-F187 HydrophobicContact CD2-CE2 4.11Å; L141-F187 HydrophobicContact CD2-CZ 4.29Å
142	E	90.5	Very high	91.1	Very high	138 Å²	138	60.5 Å²	60.5	65%	0.645	32%	0.32	S	S	*	.	H	α-helix	trans	-66.6	-42.9	178	-61.7	-176.8	169.2	0	0	111.2	N139 Q144 D145 F146	N139-E142 PolarHBondContact O-N 3.3Å; E142-Q144 VanDerWaalsContact C-N 3.31Å; E142-Q144 PolarHBondContact O-N 3.4Å; E142-D145 PolarHBondContact O-N 2.92Å; E142-F146 WeakPolarHBondContact O-CB 3.49Å; E142-F146 PolarHBondContact O-N 3.02Å
143	I	92.1	Very high	91	Very high	15 Å²	15	66.3 Å²	66.3	8%	0.077	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-37.7	176.1	-67.9	174.4	0	0	0	110.8	L131 L135 N139 A147 L155 A159	L131-I143 HydrophobicContact CB-CG2 4.45Å; L131-I143 HydrophobicContact CD2-CD1 4.45Å; L135-I143 HydrophobicContact CD2-CB 4.12Å; L135-I143 HydrophobicContact CD2-CD1 3.94Å; L135-I143 HydrophobicContact CD2-CG2 3.86Å; N139-I143 HydrophobicContact CB-CD1 4.06Å; N139-I143 HydrophobicContact CB-CG1 4.45Å; N139-I143 VanDerWaalsContact CG-CD1 3.49Å; N139-I143 WeakPolarHBondContact O-CG1 3.39Å; N139-I143 PolarHBondContact O-N 3.36Å; N139-I143 WeakPolarHBondContact OD1-CD1 3.36Å; I143-A147 WeakPolarHBondContact O-CB 3.4Å; I143-A147 PolarHBondContact O-N 2.94Å; I143-L155 HydrophobicContact CG2-CD1 3.97Å; I143-L155 HydrophobicContact CG2-CD2 4.09Å; I143-L155 HydrophobicContact CG2-CG 4.07Å; I143-A159 HydrophobicContact CG2-CB 4.33Å
144	Q	92.8	Very high	91	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-51.9	174.8	-175.7	-177.5	-10.6	0	0	111.3	C140 L141 E142 F146 A147 E148 A159	C140-Q144 VanDerWaalsContact O-CB 3.31Å; C140-Q144 WeakPolarHBondContact O-CB 3.49Å; C140-Q144 PolarHBondContact O-N 3.18Å; L141-Q144 PolarHBondContact O-N 2.89Å; E142-Q144 VanDerWaalsContact C-N 3.31Å; E142-Q144 PolarHBondContact O-N 3.4Å; Q144-F146 VanDerWaalsContact C-N 3.27Å; Q144-F146 PolarHBondContact O-N 3.3Å; Q144-A147 PolarHBondContact O-N 2.73Å; Q144-E148 PolarHBondContact NE2-OE1 2.91Å; Q144-E148 WeakPolarHBondContact O-CG 3.42Å; Q144-E148 PolarHBondContact O-N 3.21Å; Q144-A159 HydrophobicContact CB-CB 3.88Å; Q144-A159 HydrophobicContact CG-CB 4.48Å
145	D	91	Very high	91.2	Very high	78 Å²	78	58.6 Å²	58.6	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-40	179.1	-74.3	-22.9	0	0	0	111.3	L141 E142 E148 A149 R183	L141-D145 PolarHBondContact O-N 3.5Å; E142-D145 PolarHBondContact O-N 2.92Å; D145-E148 PolarHBondContact O-N 3.23Å; D145-A149 WeakPolarHBondContact O-CB 3.41Å; D145-A149 PolarHBondContact O-N 3.04Å; D145-R183 IonicContact OD1-CZ 3.52Å; D145-R183 IonicContact OD1-NE 3.33Å; D145-R183 IonicContact OD1-NH2 3.58Å; D145-R183 PolarHBondContact OD1-NH2 3.39Å
146	F	89.9	Confident	91.2	Very high	30 Å²	30	58 Å²	58	13%	0.132	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-48.7	174.9	-178.1	-92.3	0	0	0	111.9	D109 L112 L131 E142 Q144 E148 A149 Y150	D109-F146 HydrophobicContact CB-CE2 4.39Å; L112-F146 HydrophobicContact CB-CE1 4.28Å; L112-F146 HydrophobicContact CB-CZ 4.12Å; L112-F146 HydrophobicContact CD1-CE1 3.75Å; L112-F146 HydrophobicContact CD1-CZ 4.43Å; L112-F146 HydrophobicContact CD2-CE1 3.62Å; L112-F146 HydrophobicContact CD2-CZ 3.77Å; L112-F146 HydrophobicContact CG-CE1 4.06Å; L112-F146 HydrophobicContact CG-CZ 4.3Å; L131-F146 HydrophobicContact CD1-CD1 4.23Å; L131-F146 HydrophobicContact CD1-CE1 4.05Å; E142-F146 WeakPolarHBondContact O-CB 3.49Å; E142-F146 PolarHBondContact O-N 3.02Å; Q144-F146 VanDerWaalsContact C-N 3.27Å; Q144-F146 PolarHBondContact O-N 3.3Å; F146-E148 VanDerWaalsContact C-N 3.3Å; F146-E148 PolarHBondContact O-N 3.07Å; F146-A149 PolarHBondContact O-N 3.5Å; F146-Y150 HydrophobicContact CD1-CD2 4.14Å; F146-Y150 AromaticContact CD2-CD2 3.96Å; F146-Y150 HydrophobicContact CD2-CD2 3.96Å; F146-Y150 AromaticContact CD2-CE2 3.62Å; F146-Y150 HydrophobicContact CD2-CE2 3.62Å; F146-Y150 AromaticContact CE1-CD2 3.95Å; F146-Y150 HydrophobicContact CE1-CD2 3.95Å; F146-Y150 HydrophobicContact CE1-CE2 4.38Å; F146-Y150 AromaticContact CE2-CD2 3.77Å; F146-Y150 HydrophobicContact CE2-CD2 3.77Å; F146-Y150 AromaticContact CE2-CE2 3.34Å; F146-Y150 HydrophobicContact CE2-CE2 3.34Å; F146-Y150 HydrophobicContact CG-CD2 4.14Å; F146-Y150 HydrophobicContact CG-CE2 4.25Å; F146-Y150 AromaticContact CZ-CD2 3.76Å; F146-Y150 HydrophobicContact CZ-CD2 3.76Å; F146-Y150 AromaticContact CZ-CE2 3.76Å; F146-Y150 HydrophobicContact CZ-CE2 3.76Å; F146-Y150 VanDerWaalsContact O-CD2 3.22Å; F146-Y150 WeakPolarHBondContact O-CD2 3.47Å; F146-Y150 PolarHBondContact O-N 3.42Å; F146-Y150 VanDerWaalsContact O-N 3.15Å
147	A	92.5	Very high	91.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-38.3	179.4	0	0	0	0	0	111.9	I143 Q144 A151 C152 L155 A156	I143-A147 WeakPolarHBondContact O-CB 3.4Å; I143-A147 PolarHBondContact O-N 2.94Å; Q144-A147 PolarHBondContact O-N 2.73Å; A147-A151 PolarHBondContact O-N 3.19Å; A147-A151 VanDerWaalsContact O-N 3.12Å; A147-C152 HydrophobicContact CB-CB 4.1Å; A147-C152 PolarHBondContact O-N 3.34Å; A147-L155 HydrophobicContact CB-CB 4.03Å; A147-L155 HydrophobicContact CB-CD2 3.85Å; A147-L155 HydrophobicContact CB-CG 3.81Å; A147-A156 HydrophobicContact CB-CB 3.76Å
148	E	91.6	Very high	91.4	Very high	82 Å²	82	57.1 Å²	57.1	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-67.8	-41.6	175.3	-70.8	177.1	-167.7	0	0	112	Q144 D145 F146 Y150 A151 A156 R183	Q144-E148 PolarHBondContact NE2-OE1 2.91Å; Q144-E148 WeakPolarHBondContact O-CG 3.42Å; Q144-E148 PolarHBondContact O-N 3.21Å; D145-E148 PolarHBondContact O-N 3.23Å; F146-E148 VanDerWaalsContact C-N 3.3Å; F146-E148 PolarHBondContact O-N 3.07Å; E148-Y150 VanDerWaalsContact C-N 3.29Å; E148-Y150 PolarHBondContact O-N 3.22Å; E148-A151 PolarHBondContact O-N 3.07Å; E148-A151 VanDerWaalsContact O-N 3.15Å; E148-A156 HydrophobicContact CG-CB 3.95Å; E148-R183 VanDerWaalsContact CD-NH1 3.27Å; E148-R183 IonicContact OE1-CZ 3.81Å; E148-R183 IonicContact OE1-NH1 3.92Å; E148-R183 PolarHBondContact OE1-NH1 3.03Å; E148-R183 IonicContact OE1-NH2 2.87Å; E148-R183 IonicContact OE2-CZ 2.76Å; E148-R183 VanDerWaalsContact OE2-CZ 3.25Å; E148-R183 IonicContact OE2-NH1 3.57Å; E148-R183 PolarHBondContact OE2-NH1 2.78Å; E148-R183 IonicContact OE2-NH2 3.58Å; E148-R183 PolarHBondContact OE2-NH2 3.18Å
149	A	90.3	Very high	91.6	Very high	77 Å²	77	52.8 Å²	52.8	64%	0.636	28%	0.276	S	S	*	.	H	α-helix	trans	-61	-35.9	178.3	0	0	0	0	0	113.2	D145 F146	D145-A149 WeakPolarHBondContact O-CB 3.41Å; D145-A149 PolarHBondContact O-N 3.04Å; F146-A149 PolarHBondContact O-N 3.5Å
150	Y	88.4	Confident	91.8	Very high	61 Å²	61	54.1 Å²	54.1	24%	0.239	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	13.4	177.6	-62.2	-72.8	0	0	0	113.5	L112 K113 D116 K124 F146 E148 C152	L112-Y150 HydrophobicContact CD2-CD1 4.4Å; L112-Y150 HydrophobicContact CD2-CD2 3.94Å; L112-Y150 HydrophobicContact CD2-CG 3.76Å; K113-Y150 HydrophobicContact CB-CE1 4.49Å; K113-Y150 WeakPolarHBondContact CD-OH 3.2Å; K113-Y150 WeakPolarHBondContact CE-OH 3.38Å; K113-Y150 HydrophobicContact CG-CE1 3.77Å; K113-Y150 HydrophobicContact CG-CE2 4Å; K113-Y150 VanDerWaalsContact CG-CZ 3.4Å; K113-Y150 VanDerWaalsContact CG-OH 3.24Å; K113-Y150 WeakPolarHBondContact CG-OH 3.46Å; D116-Y150 HydrophobicContact CB-CD1 4.42Å; K124-Y150 WeakPolarHBondContact CE-O 3.39Å; K124-Y150 PolarHBondContact NZ-O 2.92Å; F146-Y150 HydrophobicContact CD1-CD2 4.14Å; F146-Y150 AromaticContact CD2-CD2 3.96Å; F146-Y150 HydrophobicContact CD2-CD2 3.96Å; F146-Y150 AromaticContact CD2-CE2 3.62Å; F146-Y150 HydrophobicContact CD2-CE2 3.62Å; F146-Y150 AromaticContact CE1-CD2 3.95Å; F146-Y150 HydrophobicContact CE1-CD2 3.95Å; F146-Y150 HydrophobicContact CE1-CE2 4.38Å; F146-Y150 AromaticContact CE2-CD2 3.77Å; F146-Y150 HydrophobicContact CE2-CD2 3.77Å; F146-Y150 AromaticContact CE2-CE2 3.34Å; F146-Y150 HydrophobicContact CE2-CE2 3.34Å; F146-Y150 HydrophobicContact CG-CD2 4.14Å; F146-Y150 HydrophobicContact CG-CE2 4.25Å; F146-Y150 AromaticContact CZ-CD2 3.76Å; F146-Y150 HydrophobicContact CZ-CD2 3.76Å; F146-Y150 AromaticContact CZ-CE2 3.76Å; F146-Y150 HydrophobicContact CZ-CE2 3.76Å; F146-Y150 VanDerWaalsContact O-CD2 3.22Å; F146-Y150 WeakPolarHBondContact O-CD2 3.47Å; F146-Y150 PolarHBondContact O-N 3.42Å; F146-Y150 VanDerWaalsContact O-N 3.15Å; E148-Y150 VanDerWaalsContact C-N 3.29Å; E148-Y150 PolarHBondContact O-N 3.22Å; Y150-C152 PolarHBondContact O-N 3.09Å
151	A	88.4	Confident	91.9	Very high	73 Å²	73	60.5 Å²	60.5	60%	0.603	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	32	179.4	0	0	0	0	0	114.9	A147 E148 R153	A147-A151 PolarHBondContact O-N 3.19Å; A147-A151 VanDerWaalsContact O-N 3.12Å; E148-A151 PolarHBondContact O-N 3.07Å; E148-A151 VanDerWaalsContact O-N 3.15Å; A151-R153 PolarHBondContact O-N 3.4Å; A151-R153 VanDerWaalsContact O-N 3.12Å
152	C	90.4	Very high	92	Very high	9 Å²	9	61.9 Å²	61.9	6%	0.061	31%	0.307	C	S	.	.			trans	-80.4	80.2	173.4	-59	0	0	0	0	110.2	K124 C128 A147 Y150 E154 L155 A156	K124-C152 WeakPolarHBondContact CE-SG 3.26Å; C128-C152 PolarHBondContact SG-SG 3.2Å; A147-C152 HydrophobicContact CB-CB 4.1Å; A147-C152 PolarHBondContact O-N 3.34Å; Y150-C152 PolarHBondContact O-N 3.09Å; C152-E154 PolarHBondContact O-N 3.13Å; C152-L155 HydrophobicContact CB-CB 4.17Å; C152-L155 PolarHBondContact O-N 2.92Å; C152-A156 WeakPolarHBondContact O-CB 3.38Å; C152-A156 PolarHBondContact O-N 3.49Å
153	R	90.5	Very high	92.3	Very high	211 Å²	211	55.3 Å²	55.3	80%	0.796	28%	0.276	S	S	*	.	H	α-helix	trans	-59.7	-42.1	-171.1	-68.5	-177.3	175.1	176.9	-2	114.6	A151 T157	A151-R153 PolarHBondContact O-N 3.4Å; A151-R153 VanDerWaalsContact O-N 3.12Å; R153-T157 WeakPolarHBondContact O-CB 3.42Å; R153-T157 PolarHBondContact O-N 3.28Å; R153-T157 PolarHBondContact O-OG1 3.15Å
154	E	91.4	Very high	92.4	Very high	164 Å²	164	54.6 Å²	54.6	77%	0.766	27%	0.273	S	S	*	.	H	α-helix	trans	-66.8	-48.5	-178.4	-64.9	-174.5	168	0	0	111.1	C152 A156 T157 S158	C152-E154 PolarHBondContact O-N 3.13Å; E154-A156 PolarHBondContact O-N 2.81Å; E154-T157 PolarHBondContact O-N 3.43Å; E154-S158 WeakPolarHBondContact O-CB 3.47Å; E154-S158 PolarHBondContact O-N 3.46Å
155	L	93.2	Very high	92.5	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-44.1	175.7	-179.1	63.2	0	0	0	111.8	C128 L131 E132 I143 A147 C152 T157 S158 A159	C128-L155 HydrophobicContact CB-CB 4.21Å; C128-L155 HydrophobicContact CB-CD2 4.24Å; L131-L155 HydrophobicContact CB-CD1 4.06Å; L131-L155 HydrophobicContact CB-CD2 3.99Å; L131-L155 HydrophobicContact CD1-CD2 3.76Å; E132-L155 HydrophobicContact CB-CD1 3.98Å; I143-L155 HydrophobicContact CG2-CD1 3.97Å; I143-L155 HydrophobicContact CG2-CD2 4.09Å; I143-L155 HydrophobicContact CG2-CG 4.07Å; A147-L155 HydrophobicContact CB-CB 4.03Å; A147-L155 HydrophobicContact CB-CD2 3.85Å; A147-L155 HydrophobicContact CB-CG 3.81Å; C152-L155 HydrophobicContact CB-CB 4.17Å; C152-L155 PolarHBondContact O-N 2.92Å; L155-T157 VanDerWaalsContact C-N 3.32Å; L155-T157 PolarHBondContact O-N 3.49Å; L155-S158 PolarHBondContact O-N 2.89Å; L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.35Å; L155-A159 PolarHBondContact O-N 3.18Å
156	A	93.6	Very high	92.6	Very high	13 Å²	13	59.5 Å²	59.5	11%	0.107	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-42	177.4	0	0	0	0	0	111.6	A147 E148 C152 E154 R160	A147-A156 HydrophobicContact CB-CB 3.76Å; E148-A156 HydrophobicContact CG-CB 3.95Å; C152-A156 WeakPolarHBondContact O-CB 3.38Å; C152-A156 PolarHBondContact O-N 3.49Å; E154-A156 PolarHBondContact O-N 2.81Å; A156-R160 WeakPolarHBondContact O-CB 3.45Å; A156-R160 PolarHBondContact O-N 3.41Å
157	T	93.4	Very high	92.8	Very high	72 Å²	72	58.2 Å²	58.2	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-67	-41.4	177.2	-53.8	0	0	0	0	111.4	R153 E154 L155 R160 R161	R153-T157 WeakPolarHBondContact O-CB 3.42Å; R153-T157 PolarHBondContact O-N 3.28Å; R153-T157 PolarHBondContact O-OG1 3.15Å; E154-T157 PolarHBondContact O-N 3.43Å; L155-T157 VanDerWaalsContact C-N 3.32Å; L155-T157 PolarHBondContact O-N 3.49Å; T157-R160 PolarHBondContact O-N 3.17Å; T157-R161 WeakPolarHBondContact O-CB 3.21Å; T157-R161 PolarHBondContact O-N 3.08Å
158	S	93.6	Very high	92.7	Very high	20 Å²	20	62 Å²	62	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-65.8	-46.6	177.5	-164.3	0	0	0	0	111.8	E132 E154 L155 R160 R161 F162	E132-S158 WeakPolarHBondContact OE1-CB 3.34Å; E132-S158 PolarHBondContact OE1-OG 3.28Å; E154-S158 WeakPolarHBondContact O-CB 3.47Å; E154-S158 PolarHBondContact O-N 3.46Å; L155-S158 PolarHBondContact O-N 2.89Å; S158-R160 PolarHBondContact O-N 2.92Å; S158-R161 PolarHBondContact O-N 3.16Å; S158-F162 WeakPolarHBondContact O-CB 3.27Å; S158-F162 PolarHBondContact O-N 3.08Å
159	A	94.9	Very high	92.7	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-44.3	174.8	0	0	0	0	0	111.7	L135 I143 Q144 L155 R161 F162 V163	L135-A159 HydrophobicContact CD2-CB 3.95Å; I143-A159 HydrophobicContact CG2-CB 4.33Å; Q144-A159 HydrophobicContact CB-CB 3.88Å; Q144-A159 HydrophobicContact CG-CB 4.48Å; L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.35Å; L155-A159 PolarHBondContact O-N 3.18Å; A159-R161 PolarHBondContact O-N 2.94Å; A159-F162 WeakPolarHBondContact O-CB 3.46Å; A159-F162 PolarHBondContact O-N 3.43Å; A159-V163 WeakPolarHBondContact O-CG2 3.23Å; A159-V163 PolarHBondContact O-N 3.31Å
160	R	94.6	Very high	92.8	Very high	68 Å²	68	60.4 Å²	60.4	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-46.8	174.6	-177.2	-179.2	-172.4	-91.9	-0.4	111.9	A156 T157 S158 F162 V163 L164 D190	A156-R160 WeakPolarHBondContact O-CB 3.45Å; A156-R160 PolarHBondContact O-N 3.41Å; T157-R160 PolarHBondContact O-N 3.17Å; S158-R160 PolarHBondContact O-N 2.92Å; R160-F162 VanDerWaalsContact C-N 3.28Å; R160-F162 PolarHBondContact O-N 3.13Å; R160-V163 WeakPolarHBondContact O-CB 3.38Å; R160-V163 PolarHBondContact O-N 3.42Å; R160-L164 HydrophobicContact CG-CD1 4.4Å; R160-L164 WeakPolarHBondContact O-CG 3.37Å; R160-L164 PolarHBondContact O-N 2.94Å; R160-D190 IonicContact CZ-OD2 3.37Å; R160-D190 IonicContact NH1-OD2 2.72Å; R160-D190 PolarHBondContact NH1-OD2 3.43Å; R160-D190 IonicContact NH2-OD2 3.33Å; R160-D190 PolarHBondContact NH2-OD2 3.06Å
161	R	94.8	Very high	92.9	Very high	133 Å²	133	57.7 Å²	57.7	50%	0.502	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-38.9	176.9	-168.7	-178.5	-63.8	119.7	-1.4	111.4	T157 S158 A159 L164 K165	T157-R161 WeakPolarHBondContact O-CB 3.21Å; T157-R161 PolarHBondContact O-N 3.08Å; S158-R161 PolarHBondContact O-N 3.16Å; A159-R161 PolarHBondContact O-N 2.94Å; R161-L164 PolarHBondContact O-N 3.3Å; R161-K165 WeakPolarHBondContact O-CB 3.32Å; R161-K165 PolarHBondContact O-N 3.44Å
162	F	95.4	Very high	92.9	Very high	53 Å²	53	61.3 Å²	61.3	23%	0.232	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-41.6	174.7	-171.7	-84.8	0	0	0	112.2	L135 V137 C140 S158 A159 R160 K165 N166	L135-F162 HydrophobicContact CB-CD2 4.29Å; L135-F162 HydrophobicContact CB-CE2 4.49Å; L135-F162 HydrophobicContact CB-CG 4.44Å; V137-F162 HydrophobicContact CG2-CE1 4.24Å; V137-F162 HydrophobicContact CG2-CZ 4.44Å; C140-F162 HydrophobicContact CB-CD1 3.69Å; C140-F162 HydrophobicContact CB-CE1 4.14Å; S158-F162 WeakPolarHBondContact O-CB 3.27Å; S158-F162 PolarHBondContact O-N 3.08Å; A159-F162 WeakPolarHBondContact O-CB 3.46Å; A159-F162 PolarHBondContact O-N 3.43Å; R160-F162 VanDerWaalsContact C-N 3.28Å; R160-F162 PolarHBondContact O-N 3.13Å; F162-K165 PolarHBondContact O-N 3.43Å; F162-N166 WeakPolarHBondContact CE1-ND2 3.48Å; F162-N166 WeakPolarHBondContact CZ-ND2 3.41Å; F162-N166 PolarHBondContact O-N 3.07Å; F162-N166 VanDerWaalsContact O-N 3.07Å; F162-N166 PolarHBondContact O-ND2 3.19Å
163	V	94.8	Very high	92.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-49.5	174.4	168.9	0	0	0	0	111.1	C140 L141 A159 R160 K165 N166 I167 L170 F187	C140-V163 HydrophobicContact CB-CG2 3.98Å; L141-V163 HydrophobicContact CD2-CG1 4.23Å; L141-V163 HydrophobicContact CD2-CG2 3.93Å; A159-V163 WeakPolarHBondContact O-CG2 3.23Å; A159-V163 PolarHBondContact O-N 3.31Å; R160-V163 WeakPolarHBondContact O-CB 3.38Å; R160-V163 PolarHBondContact O-N 3.42Å; V163-K165 PolarHBondContact O-N 3.13Å; V163-N166 CarbonylContact O-C 3.56Å; V163-N166 PolarHBondContact O-N 2.69Å; V163-I167 HydrophobicContact CG1-CD1 4.12Å; V163-I167 WeakPolarHBondContact O-CA 3.48Å; V163-I167 PolarHBondContact O-N 2.9Å; V163-L170 HydrophobicContact CB-CD1 4.17Å; V163-L170 HydrophobicContact CG1-CD1 3.84Å; V163-L170 HydrophobicContact CG2-CD1 4.19Å; V163-F187 HydrophobicContact CG1-CD1 4.39Å; V163-F187 HydrophobicContact CG1-CD2 4.14Å; V163-F187 HydrophobicContact CG1-CE1 4.02Å; V163-F187 HydrophobicContact CG1-CE2 3.73Å; V163-F187 HydrophobicContact CG1-CG 4.45Å; V163-F187 HydrophobicContact CG1-CZ 3.67Å
164	L	95.1	Very high	92.5	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-36	178.9	-67.9	177.5	0	0	0	111.9	R160 R161 F187 D190 E192 L193 C194	R160-L164 HydrophobicContact CG-CD1 4.4Å; R160-L164 WeakPolarHBondContact O-CG 3.37Å; R160-L164 PolarHBondContact O-N 2.94Å; R161-L164 PolarHBondContact O-N 3.3Å; L164-F187 HydrophobicContact CD2-CB 4.2Å; L164-F187 HydrophobicContact CD2-CD1 4.22Å; L164-D190 HydrophobicContact CD1-CB 4.14Å; L164-D190 HydrophobicContact CD2-CB 4.08Å; L164-E192 HydrophobicContact CD1-CB 4.16Å; L164-L193 HydrophobicContact CD2-CB 4.33Å; L164-L193 HydrophobicContact CD2-CD1 3.69Å; L164-C194 WeakPolarHBondContact O-CB 3.32Å; L164-C194 PolarHBondContact O-N 3.14Å
165	K	94.5	Very high	92.2	Very high	141 Å²	141	52.6 Å²	52.6	61%	0.613	26%	0.262	S	S	*	.	H	α-helix	trans	-69.4	-37.8	177.3	-169.4	174.8	178.9	-179.6	0	113.5	R161 F162 V163	R161-K165 WeakPolarHBondContact O-CB 3.32Å; R161-K165 PolarHBondContact O-N 3.44Å; F162-K165 PolarHBondContact O-N 3.43Å; V163-K165 PolarHBondContact O-N 3.13Å
166	N	94	Very high	91.9	Very high	40 Å²	40	52.7 Å²	52.7	21%	0.214	26%	0.263	C	S	.	.	S	Bend	trans	-108.4	18.2	-173.2	-61.5	-70	0	0	0	113.5	V137 F162 V163 M168 E169 L170	V137-N166 HydrophobicContact CG2-CB 4.25Å; F162-N166 WeakPolarHBondContact CE1-ND2 3.48Å; F162-N166 WeakPolarHBondContact CZ-ND2 3.41Å; F162-N166 PolarHBondContact O-N 3.07Å; F162-N166 VanDerWaalsContact O-N 3.07Å; F162-N166 PolarHBondContact O-ND2 3.19Å; V163-N166 CarbonylContact O-C 3.56Å; V163-N166 PolarHBondContact O-N 2.69Å; N166-M168 PolarHBondContact O-N 3.45Å; N166-M168 VanDerWaalsContact O-N 3.13Å; N166-E169 PolarHBondContact O-N 3.28Å; N166-L170 PolarHBondContact O-N 3.07Å
167	I	93.2	Very high	91.7	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-34.1	-174.4	-160	72.1	0	0	0	113.1	V163 E169 L170 A171 F176 F187 L193 V195 I204	V163-I167 HydrophobicContact CG1-CD1 4.12Å; V163-I167 WeakPolarHBondContact O-CA 3.48Å; V163-I167 PolarHBondContact O-N 2.9Å; I167-E169 VanDerWaalsContact C-N 3.27Å; I167-E169 PolarHBondContact O-N 3.07Å; I167-L170 PolarHBondContact O-N 3.2Å; I167-A171 VanDerWaalsContact O-CB 3.23Å; I167-A171 WeakPolarHBondContact O-CB 3.32Å; I167-A171 PolarHBondContact O-N 3.34Å; I167-F176 HydrophobicContact CD1-CE2 3.77Å; I167-F176 HydrophobicContact CG1-CE2 4.47Å; I167-F187 HydrophobicContact CD1-CD2 4.41Å; I167-L193 HydrophobicContact CB-CD1 3.98Å; I167-L193 HydrophobicContact CG1-CD1 3.97Å; I167-L193 HydrophobicContact CG2-CD1 3.75Å; I167-L193 HydrophobicContact CG2-CG 4.39Å; I167-V195 HydrophobicContact CG2-CG1 4.06Å; I167-I204 HydrophobicContact CG1-CD1 4.33Å; I167-I204 HydrophobicContact CG2-CD1 4.39Å
168	M	91.8	Very high	91.6	Very high	78 Å²	78	60.4 Å²	60.4	38%	0.384	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-30	-179.9	-66	-172.6	-76.8	0	0	112.8	N166 V195 D196 T200	N166-M168 PolarHBondContact O-N 3.45Å; N166-M168 VanDerWaalsContact O-N 3.13Å; M168-V195 HydrophobicContact CG-CG1 4.45Å; M168-D196 HydrophobicContact SD-CB 4.49Å; M168-T200 HydrophobicContact CG-CG2 4Å; M168-T200 HydrophobicContact SD-CG2 4.34Å
169	E	91.6	Very high	91.5	Very high	113 Å²	113	60 Å²	60	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-84.2	-45.4	174.6	-167.8	173.2	-178.4	0	0	110.7	V137 N166 I167 A171 K172	V137-E169 HydrophobicContact CG1-CB 4.35Å; V137-E169 HydrophobicContact CG1-CG 4.05Å; N166-E169 PolarHBondContact O-N 3.28Å; I167-E169 VanDerWaalsContact C-N 3.27Å; I167-E169 PolarHBondContact O-N 3.07Å; E169-A171 VanDerWaalsContact C-N 3.3Å; E169-A171 PolarHBondContact O-N 3.5Å; E169-K172 WeakPolarHBondContact O-CB 3.25Å; E169-K172 PolarHBondContact O-N 2.87Å
170	L	91.4	Very high	91.4	Very high	13 Å²	13	63.8 Å²	63.8	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-56	-42.8	177.1	-74.5	169.5	0	0	0	112.7	V137 V163 N166 I167 K172 G173 F176	V137-L170 HydrophobicContact CG1-CD2 3.6Å; V137-L170 HydrophobicContact CG1-CG 3.95Å; V137-L170 WeakPolarHBondContact O-CD2 3.37Å; V163-L170 HydrophobicContact CB-CD1 4.17Å; V163-L170 HydrophobicContact CG1-CD1 3.84Å; V163-L170 HydrophobicContact CG2-CD1 4.19Å; N166-L170 PolarHBondContact O-N 3.07Å; I167-L170 PolarHBondContact O-N 3.2Å; L170-K172 PolarHBondContact O-N 3.46Å; L170-G173 PolarHBondContact O-N 3.31Å; L170-F176 HydrophobicContact CB-CD2 4.43Å; L170-F176 VanDerWaalsContact O-CB 3.29Å; L170-F176 WeakPolarHBondContact O-CB 3.44Å
171	A	90.1	Very high	91.4	Very high	5 Å²	5	63.9 Å²	63.9	4%	0.041	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.8	179.8	0	0	0	0	0	114	I167 E169 F176 I204 R207	I167-A171 VanDerWaalsContact O-CB 3.23Å; I167-A171 WeakPolarHBondContact O-CB 3.32Å; I167-A171 PolarHBondContact O-N 3.34Å; E169-A171 VanDerWaalsContact C-N 3.3Å; E169-A171 PolarHBondContact O-N 3.5Å; A171-F176 HydrophobicContact CB-CD1 4.31Å; A171-F176 HydrophobicContact CB-CE1 4.29Å; A171-F176 HydrophobicContact CB-CG 4.44Å; A171-F176 HydrophobicContact CB-CZ 4.39Å; A171-I204 HydrophobicContact CB-CB 4.49Å; A171-I204 HydrophobicContact CB-CD1 4Å; A171-I204 HydrophobicContact CB-CG1 3.66Å; A171-I204 HydrophobicContact CB-CG2 4.15Å; A171-R207 PolarHBondContact O-NH1 2.85Å
172	K	88.8	Confident	91.4	Very high	149 Å²	149	63.6 Å²	63.6	65%	0.648	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-28.7	173.2	-61.7	175	-173.7	169.8	0	112.6	E169 L170 R207	E169-K172 WeakPolarHBondContact O-CB 3.25Å; E169-K172 PolarHBondContact O-N 2.87Å; L170-K172 PolarHBondContact O-N 3.46Å; K172-R207 PolarHBondContact O-NH2 3.08Å
173	G	87.1	Confident	91.3	Very high	32 Å²	32	62.5 Å²	62.5	33%	0.33	30%	0.301	S	S	.	.	S	Bend	trans	-74.4	158.9	-177	0	0	0	0	0	113.8	L170 D175	L170-G173 PolarHBondContact O-N 3.31Å; G173-D175 VanDerWaalsContact C-N 3.34Å
174	T	84.5	Confident	91.3	Very high	89 Å²	89	62.5 Å²	62.5	55%	0.546	30%	0.302	S	S	.	.	H	α-helix	trans	-73.3	-26.1	178	49.4	0	0	0	0	113	F176 E177 R178	T174-F176 PolarHBondContact O-N 2.92Å; T174-E177 PolarHBondContact O-N 3.31Å; T174-R178 PolarHBondContact O-N 2.97Å
175	D	85.2	Confident	91.3	Very high	80 Å²	80	63.8 Å²	63.8	43%	0.428	31%	0.308	S	S	.	.	H	α-helix	trans	-68.3	-30.4	-179.5	-57.9	-41.3	0	0	0	111.4	G173 E177 R178 L179	G173-D175 VanDerWaalsContact C-N 3.34Å; D175-E177 VanDerWaalsContact C-N 3.32Å; D175-E177 PolarHBondContact O-N 3.22Å; D175-R178 WeakPolarHBondContact O-CB 3.31Å; D175-R178 PolarHBondContact O-N 3.36Å; D175-R178 VanDerWaalsContact O-N 3.11Å; D175-R178 IonicContact OD1-NH1 3.6Å; D175-L179 PolarHBondContact O-N 3.48Å
176	F	88.8	Confident	91.3	Very high	3 Å²	3	61 Å²	61	1%	0.013	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-38.5	172.4	-169.5	-91.4	0	0	0	112.6	I167 L170 A171 T174 R178 L179 L184 I204 W208	I167-F176 HydrophobicContact CD1-CE2 3.77Å; I167-F176 HydrophobicContact CG1-CE2 4.47Å; L170-F176 HydrophobicContact CB-CD2 4.43Å; L170-F176 VanDerWaalsContact O-CB 3.29Å; L170-F176 WeakPolarHBondContact O-CB 3.44Å; A171-F176 HydrophobicContact CB-CD1 4.31Å; A171-F176 HydrophobicContact CB-CE1 4.29Å; A171-F176 HydrophobicContact CB-CG 4.44Å; A171-F176 HydrophobicContact CB-CZ 4.39Å; T174-F176 PolarHBondContact O-N 2.92Å; F176-R178 PolarHBondContact O-N 3.46Å; F176-L179 HydrophobicContact CB-CD1 4.47Å; F176-L179 HydrophobicContact CD2-CD1 3.44Å; F176-L179 VanDerWaalsContact CD2-CD1 3.44Å; F176-L179 HydrophobicContact CE2-CD1 3.68Å; F176-L179 HydrophobicContact CG-CD1 3.99Å; F176-L179 HydrophobicContact CZ-CD1 4.41Å; F176-L179 WeakPolarHBondContact O-CB 3.49Å; F176-L179 WeakPolarHBondContact O-CG 3.34Å; F176-L179 PolarHBondContact O-N 3.04Å; F176-L184 HydrophobicContact CE1-CD1 4.06Å; F176-L184 HydrophobicContact CE2-CD1 4.24Å; F176-L184 HydrophobicContact CZ-CD1 3.42Å; F176-L184 VanDerWaalsContact CZ-CD1 3.42Å; F176-I204 HydrophobicContact CE1-CG2 3.54Å; F176-I204 HydrophobicContact CE2-CG2 4.4Å; F176-I204 HydrophobicContact CZ-CG2 3.31Å; F176-W208 HydrophobicContact CE1-CB 4.47Å
177	E	89.4	Confident	91.4	Very high	58 Å²	58	59.1 Å²	59.1	27%	0.271	29%	0.287	S	S	.	.	H	α-helix	trans	-68.5	-20.2	178	-65.5	176.4	-171.1	0	0	112.2	T174 D175 R207 A211 R216	T174-E177 PolarHBondContact O-N 3.31Å; D175-E177 VanDerWaalsContact C-N 3.32Å; D175-E177 PolarHBondContact O-N 3.22Å; E177-R207 IonicContact OE1-CZ 3.44Å; E177-R207 IonicContact OE1-NE 3.04Å; E177-R207 PolarHBondContact OE1-NE 3.13Å; E177-R207 IonicContact OE1-NH2 2.94Å; E177-R207 PolarHBondContact OE1-NH2 3.3Å; E177-A211 HydrophobicContact CB-CB 4.36Å; E177-A211 HydrophobicContact CG-CB 4.31Å; E177-R216 VanDerWaalsContact O-CZ 3.3Å; E177-R216 PolarHBondContact O-NH1 2.95Å; E177-R216 PolarHBondContact O-NH2 3.1Å
178	R	89.7	Confident	91.5	Very high	188 Å²	188	59.1 Å²	59.1	71%	0.709	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.1	176.2	-64.6	175.2	174.8	168.5	-3.5	113.6	T174 D175 F176	T174-R178 PolarHBondContact O-N 2.97Å; D175-R178 WeakPolarHBondContact O-CB 3.31Å; D175-R178 PolarHBondContact O-N 3.36Å; D175-R178 VanDerWaalsContact O-N 3.11Å; D175-R178 IonicContact OD1-NH1 3.6Å; F176-R178 PolarHBondContact O-N 3.46Å
179	L	92.1	Very high	91.6	Very high	13 Å²	13	57.8 Å²	57.8	7%	0.068	29%	0.286	C	S	.	.			trans	-58.9	140	-178.3	-74.4	172.1	0	0	0	112.1	L141 D175 F176 R183 F187 W208	L141-L179 HydrophobicContact CD1-CD1 4.43Å; L141-L179 HydrophobicContact CD1-CD2 4.08Å; L141-L179 HydrophobicContact CD1-CG 4.44Å; L141-L179 HydrophobicContact CD2-CD2 4.15Å; D175-L179 PolarHBondContact O-N 3.48Å; F176-L179 HydrophobicContact CB-CD1 4.47Å; F176-L179 HydrophobicContact CD2-CD1 3.44Å; F176-L179 VanDerWaalsContact CD2-CD1 3.44Å; F176-L179 HydrophobicContact CE2-CD1 3.68Å; F176-L179 HydrophobicContact CG-CD1 3.99Å; F176-L179 HydrophobicContact CZ-CD1 4.41Å; F176-L179 WeakPolarHBondContact O-CB 3.49Å; F176-L179 WeakPolarHBondContact O-CG 3.34Å; F176-L179 PolarHBondContact O-N 3.04Å; L179-R183 HydrophobicContact CD2-CG 4.23Å; L179-F187 HydrophobicContact CD1-CE2 4.28Å; L179-W208 PolarHBondContact O-NE1 3.1Å
180	P	93.4	Very high	91.7	Very high	79 Å²	79	53.6 Å²	53.6	51%	0.513	27%	0.267	S	S	.	.			trans	-68.5	148.8	172.5	29.2	-32.7	0	0	0	110.7	K182 R183 L184	P180-K182 VanDerWaalsContact C-N 3.27Å; P180-K182 PolarHBondContact O-N 3.48Å; P180-R183 HydrophobicContact CG-CB 3.82Å; P180-R183 PolarHBondContact O-N 2.97Å; P180-R183 VanDerWaalsContact O-N 3.12Å; P180-L184 PolarHBondContact O-N 3.12Å
181	W	94	Very high	91.7	Very high	69 Å²	69	57.7 Å²	57.7	26%	0.261	29%	0.289	S	S	.	.	H	α-helix	trans	-56.3	-38.2	-174.9	75.5	-93.3	0	0	0	113.3	R183 L184 L185 W208 Y219	W181-R183 PolarHBondContact O-N 3.36Å; W181-L184 PolarHBondContact O-N 3.48Å; W181-L185 HydrophobicContact CE3-CD2 4.45Å; W181-L185 HydrophobicContact CZ3-CD2 3.9Å; W181-L185 WeakPolarHBondContact O-CB 3.39Å; W181-L185 PolarHBondContact O-N 3.23Å; W181-W208 HydrophobicContact CB-CH2 3.54Å; W181-W208 HydrophobicContact CB-CZ2 3.92Å; W181-W208 HydrophobicContact CB-CZ3 4.45Å; W181-Y219 HydrophobicContact CB-CD1 4.25Å; W181-Y219 HydrophobicContact CB-CD2 4.21Å; W181-Y219 HydrophobicContact CB-CE1 4.37Å; W181-Y219 HydrophobicContact CB-CE2 4.36Å; W181-Y219 HydrophobicContact CB-CG 4.18Å; W181-Y219 AromaticContact CD1-CE1 3.64Å; W181-Y219 AromaticContact CD1-CZ 3.52Å; W181-Y219 AromaticContact CD2-CD1 3.73Å; W181-Y219 HydrophobicContact CD2-CD1 3.73Å; W181-Y219 AromaticContact CD2-CE1 3.55Å; W181-Y219 HydrophobicContact CD2-CE1 3.55Å; W181-Y219 AromaticContact CE2-CE1 3.54Å; W181-Y219 AromaticContact CE3-CD1 3.96Å; W181-Y219 HydrophobicContact CE3-CD1 3.96Å; W181-Y219 HydrophobicContact CE3-CE1 4.17Å; W181-Y219 AromaticContact CG-CD1 3.87Å; W181-Y219 HydrophobicContact CG-CD1 3.87Å; W181-Y219 HydrophobicContact CG-CD2 4.42Å; W181-Y219 AromaticContact CG-CE1 3.62Å; W181-Y219 HydrophobicContact CG-CE1 3.62Å; W181-Y219 HydrophobicContact CG-CE2 4.23Å; W181-Y219 HydrophobicContact CG-CG 4.28Å; W181-Y219 AromaticContact CG-CZ 3.84Å; W181-Y219 HydrophobicContact CZ2-CE1 4.16Å; W181-Y219 AromaticContact NE1-CE1 3.59Å; W181-Y219 AromaticContact NE1-CZ 3.73Å
182	K	94.4	Very high	91.8	Very high	128 Å²	128	62.8 Å²	62.8	56%	0.557	31%	0.312	S	S	*	.	H	α-helix	trans	-61.9	-43.8	179.5	-66.3	-172.5	177.1	-177	0	112	P180 L185 E186	P180-K182 VanDerWaalsContact C-N 3.27Å; P180-K182 PolarHBondContact O-N 3.48Å; K182-L185 WeakPolarHBondContact O-CB 3.39Å; K182-L185 PolarHBondContact O-N 2.89Å; K182-E186 WeakPolarHBondContact O-CG 3.48Å; K182-E186 PolarHBondContact O-N 3.18Å
183	R	93.8	Very high	92.1	Very high	29 Å²	29	55.9 Å²	55.9	11%	0.109	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-43	179.7	-173.9	71.9	75.9	-174.6	10.9	111.1	D145 E148 L179 P180 W181 L185 E186 F187	D145-R183 IonicContact OD1-CZ 3.52Å; D145-R183 IonicContact OD1-NE 3.33Å; D145-R183 IonicContact OD1-NH2 3.58Å; D145-R183 PolarHBondContact OD1-NH2 3.39Å; E148-R183 VanDerWaalsContact CD-NH1 3.27Å; E148-R183 IonicContact OE1-CZ 3.81Å; E148-R183 IonicContact OE1-NH1 3.92Å; E148-R183 PolarHBondContact OE1-NH1 3.03Å; E148-R183 IonicContact OE1-NH2 2.87Å; E148-R183 IonicContact OE2-CZ 2.76Å; E148-R183 VanDerWaalsContact OE2-CZ 3.25Å; E148-R183 IonicContact OE2-NH1 3.57Å; E148-R183 PolarHBondContact OE2-NH1 2.78Å; E148-R183 IonicContact OE2-NH2 3.58Å; E148-R183 PolarHBondContact OE2-NH2 3.18Å; L179-R183 HydrophobicContact CD2-CG 4.23Å; P180-R183 HydrophobicContact CG-CB 3.82Å; P180-R183 PolarHBondContact O-N 2.97Å; P180-R183 VanDerWaalsContact O-N 3.12Å; W181-R183 PolarHBondContact O-N 3.36Å; R183-L185 VanDerWaalsContact C-N 3.32Å; R183-L185 PolarHBondContact O-N 2.8Å; R183-E186 IonicContact NH1-OE2 3.71Å; R183-E186 PolarHBondContact NH1-OE2 2.88Å; R183-E186 WeakPolarHBondContact O-CB 3.22Å; R183-E186 PolarHBondContact O-N 2.95Å; R183-F187 VanDerWaalsContact CD-CZ 3.48Å; R183-F187 HydrophobicContact CG-CD2 4.25Å; R183-F187 HydrophobicContact CG-CE1 4.23Å; R183-F187 HydrophobicContact CG-CE2 3.53Å; R183-F187 HydrophobicContact CG-CZ 3.52Å; R183-F187 WeakPolarHBondContact O-CD2 3.49Å; R183-F187 VanDerWaalsContact O-CG 3.31Å; R183-F187 WeakPolarHBondContact O-CG 3.38Å; R183-F187 PolarHBondContact O-N 3.39Å; R183-F187 VanDerWaalsContact O-N 3.1Å
184	L	94.8	Very high	92.5	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-43.8	174.7	179.3	63.6	0	0	0	111.3	F176 P180 W181 E186 F187 V188 W208 L223	F176-L184 HydrophobicContact CE1-CD1 4.06Å; F176-L184 HydrophobicContact CE2-CD1 4.24Å; F176-L184 HydrophobicContact CZ-CD1 3.42Å; F176-L184 VanDerWaalsContact CZ-CD1 3.42Å; P180-L184 PolarHBondContact O-N 3.12Å; W181-L184 PolarHBondContact O-N 3.48Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-E186 PolarHBondContact O-N 2.79Å; L184-F187 PolarHBondContact O-N 2.99Å; L184-V188 HydrophobicContact CD1-CG2 3.84Å; L184-V188 HydrophobicContact CG-CG2 4.16Å; L184-V188 VanDerWaalsContact O-CG2 3.32Å; L184-V188 WeakPolarHBondContact O-CG2 3.49Å; L184-V188 PolarHBondContact O-N 3.47Å; L184-W208 HydrophobicContact CD2-CB 3.68Å; L184-W208 HydrophobicContact CD2-CD2 3.45Å; L184-W208 VanDerWaalsContact CD2-CD2 3.45Å; L184-W208 HydrophobicContact CD2-CE3 3.8Å; L184-W208 HydrophobicContact CD2-CG 3.39Å; L184-L223 HydrophobicContact CD2-CD1 4.05Å; L184-L223 HydrophobicContact CD2-CD2 3.92Å; L184-L223 HydrophobicContact CG-CD2 3.97Å
185	L	95.7	Very high	92.9	Very high	27 Å²	27	52.4 Å²	52.4	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-46.3	178	-172.5	72.2	0	0	0	111	W181 K182 R183 F187 V188 S189 E222 L223 Q226	W181-L185 HydrophobicContact CE3-CD2 4.45Å; W181-L185 HydrophobicContact CZ3-CD2 3.9Å; W181-L185 WeakPolarHBondContact O-CB 3.39Å; W181-L185 PolarHBondContact O-N 3.23Å; K182-L185 WeakPolarHBondContact O-CB 3.39Å; K182-L185 PolarHBondContact O-N 2.89Å; R183-L185 VanDerWaalsContact C-N 3.32Å; R183-L185 PolarHBondContact O-N 2.8Å; L185-F187 VanDerWaalsContact C-N 3.3Å; L185-F187 PolarHBondContact O-N 2.88Å; L185-V188 PolarHBondContact O-N 3.36Å; L185-S189 VanDerWaalsContact O-CB 3.25Å; L185-S189 WeakPolarHBondContact O-CB 3.4Å; L185-S189 PolarHBondContact O-N 3.41Å; L185-S189 PolarHBondContact O-OG 3.13Å; L185-E222 HydrophobicContact CD1-CG 4.03Å; L185-E222 HydrophobicContact CD2-CG 4.17Å; L185-E222 VanDerWaalsContact CD2-OE1 3.3Å; L185-E222 WeakPolarHBondContact CD2-OE1 3.44Å; L185-L223 HydrophobicContact CB-CD2 4.43Å; L185-L223 HydrophobicContact CD1-CD2 4.09Å; L185-Q226 HydrophobicContact CD1-CG 3.47Å; L185-Q226 VanDerWaalsContact CD1-CG 3.47Å; L185-Q226 HydrophobicContact CG-CG 4.45Å
186	E	94.7	Very high	93.2	Very high	83 Å²	83	52.5 Å²	52.5	39%	0.388	26%	0.256	S	S	.	.	H	α-helix	trans	-55.2	-43.3	175.5	-74.3	166.7	-164.6	0	0	112.1	K182 R183 L184 S189 D190	K182-E186 WeakPolarHBondContact O-CG 3.48Å; K182-E186 PolarHBondContact O-N 3.18Å; R183-E186 IonicContact NH1-OE2 3.71Å; R183-E186 PolarHBondContact NH1-OE2 2.88Å; R183-E186 WeakPolarHBondContact O-CB 3.22Å; R183-E186 PolarHBondContact O-N 2.95Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-E186 PolarHBondContact O-N 2.79Å; E186-S189 PolarHBondContact O-OG 3.28Å; E186-S189 VanDerWaalsContact O-OG 3.04Å; E186-D190 PolarHBondContact O-N 3.46Å
187	F	94.8	Very high	93.5	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-69.9	-45.5	178.5	-61	-26.4	0	0	0	112.7	L141 V163 L164 I167 L179 R183 L184 L185 S189 D190	L141-F187 HydrophobicContact CD2-CE2 4.11Å; L141-F187 HydrophobicContact CD2-CZ 4.29Å; V163-F187 HydrophobicContact CG1-CD1 4.39Å; V163-F187 HydrophobicContact CG1-CD2 4.14Å; V163-F187 HydrophobicContact CG1-CE1 4.02Å; V163-F187 HydrophobicContact CG1-CE2 3.73Å; V163-F187 HydrophobicContact CG1-CG 4.45Å; V163-F187 HydrophobicContact CG1-CZ 3.67Å; L164-F187 HydrophobicContact CD2-CB 4.2Å; L164-F187 HydrophobicContact CD2-CD1 4.22Å; I167-F187 HydrophobicContact CD1-CD2 4.41Å; L179-F187 HydrophobicContact CD1-CE2 4.28Å; R183-F187 VanDerWaalsContact CD-CZ 3.48Å; R183-F187 HydrophobicContact CG-CD2 4.25Å; R183-F187 HydrophobicContact CG-CE1 4.23Å; R183-F187 HydrophobicContact CG-CE2 3.53Å; R183-F187 HydrophobicContact CG-CZ 3.52Å; R183-F187 WeakPolarHBondContact O-CD2 3.49Å; R183-F187 VanDerWaalsContact O-CG 3.31Å; R183-F187 WeakPolarHBondContact O-CG 3.38Å; R183-F187 PolarHBondContact O-N 3.39Å; R183-F187 VanDerWaalsContact O-N 3.1Å; L184-F187 PolarHBondContact O-N 2.99Å; L185-F187 VanDerWaalsContact C-N 3.3Å; L185-F187 PolarHBondContact O-N 2.88Å; F187-S189 VanDerWaalsContact C-N 3.34Å; F187-S189 PolarHBondContact O-N 3.08Å; F187-D190 PolarHBondContact O-N 3.06Å
188	V	94.7	Very high	93.7	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-70.2	-32.7	-177.4	176.6	0	0	0	0	111.7	L184 L185 D190 V201 Q226 R281	L184-V188 HydrophobicContact CD1-CG2 3.84Å; L184-V188 HydrophobicContact CG-CG2 4.16Å; L184-V188 VanDerWaalsContact O-CG2 3.32Å; L184-V188 WeakPolarHBondContact O-CG2 3.49Å; L184-V188 PolarHBondContact O-N 3.47Å; L185-V188 PolarHBondContact O-N 3.36Å; V188-D190 VanDerWaalsContact C-N 3.27Å; V188-D190 PolarHBondContact O-N 3.26Å; V188-V201 HydrophobicContact CG1-CG1 3.61Å; V188-Q226 HydrophobicContact CB-CB 4.38Å; V188-Q226 HydrophobicContact CG1-CB 3.66Å; V188-R281 PolarHBondContact O-NH1 3.22Å; V188-R281 PolarHBondContact O-NH2 2.84Å
189	S	94.7	Very high	94	Very high	49 Å²	49	45.7 Å²	45.7	34%	0.343	23%	0.231	S	C	.	.	H	α-helix	trans	-72.1	-19.7	176.7	65.3	0	0	0	0	113.8	L185 E186 F187	L185-S189 VanDerWaalsContact O-CB 3.25Å; L185-S189 WeakPolarHBondContact O-CB 3.4Å; L185-S189 PolarHBondContact O-N 3.41Å; L185-S189 PolarHBondContact O-OG 3.13Å; E186-S189 PolarHBondContact O-OG 3.28Å; E186-S189 VanDerWaalsContact O-OG 3.04Å; F187-S189 VanDerWaalsContact C-N 3.34Å; F187-S189 PolarHBondContact O-N 3.08Å
190	D	94.6	Very high	94.2	Very high	26 Å²	26	46.3 Å²	46.3	14%	0.139	24%	0.235	C	C	.	.			trans	-72.1	141.7	-172.8	-158.4	-76.7	0	0	0	112.6	R160 L164 E186 F187 V188 E192 L193 R281	R160-D190 IonicContact CZ-OD2 3.37Å; R160-D190 IonicContact NH1-OD2 2.72Å; R160-D190 PolarHBondContact NH1-OD2 3.43Å; R160-D190 IonicContact NH2-OD2 3.33Å; R160-D190 PolarHBondContact NH2-OD2 3.06Å; L164-D190 HydrophobicContact CD1-CB 4.14Å; L164-D190 HydrophobicContact CD2-CB 4.08Å; E186-D190 PolarHBondContact O-N 3.46Å; F187-D190 PolarHBondContact O-N 3.06Å; V188-D190 VanDerWaalsContact C-N 3.27Å; V188-D190 PolarHBondContact O-N 3.26Å; D190-E192 WeakPolarHBondContact OD1-CA 3.5Å; D190-E192 VanDerWaalsContact OD1-CB 3.28Å; D190-E192 WeakPolarHBondContact OD1-CB 3.48Å; D190-E192 PolarHBondContact OD1-N 3.08Å; D190-L193 WeakPolarHBondContact O-CB 3.3Å; D190-R281 PolarHBondContact O-NH1 2.86Å; D190-R281 VanDerWaalsContact O-NH1 3.14Å
191	D	91.4	Very high	94.3	Very high	99 Å²	99	42.6 Å²	42.6	53%	0.529	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-29.8	177.2	-74.7	-23.8	0	0	0	112.4	L193 R228 P282	D191-L193 PolarHBondContact O-N 3.41Å; D191-R228 IonicContact OD1-CZ 2.95Å; D191-R228 IonicContact OD1-NH1 3.94Å; D191-R228 IonicContact OD1-NH2 2.7Å; D191-R228 PolarHBondContact OD1-NH2 3.25Å; D191-P282 WeakPolarHBondContact O-CD 3.33Å
192	E	92.3	Very high	94.5	Very high	112 Å²	112	39.7 Å²	39.7	52%	0.523	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1	177.6	-55.8	-169.2	156.7	0	0	113.3	L164 D190 C194	L164-E192 HydrophobicContact CD1-CB 4.16Å; D190-E192 WeakPolarHBondContact OD1-CA 3.5Å; D190-E192 VanDerWaalsContact OD1-CB 3.28Å; D190-E192 WeakPolarHBondContact OD1-CB 3.48Å; D190-E192 PolarHBondContact OD1-N 3.08Å; E192-C194 PolarHBondContact O-N 3.4Å; E192-C194 VanDerWaalsContact O-N 3.16Å; E192-C194 PolarHBondContact O-SG 2.93Å; E192-C194 VanDerWaalsContact O-SG 3.37Å
193	L	94.5	Very high	94.5	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.197	C	C	.	.			trans	-56.6	119.6	175.5	-176.2	70.9	0	0	0	110.6	L164 I167 D190 D191 V195 V201 S283	L164-L193 HydrophobicContact CD2-CB 4.33Å; L164-L193 HydrophobicContact CD2-CD1 3.69Å; I167-L193 HydrophobicContact CB-CD1 3.98Å; I167-L193 HydrophobicContact CG1-CD1 3.97Å; I167-L193 HydrophobicContact CG2-CD1 3.75Å; I167-L193 HydrophobicContact CG2-CG 4.39Å; D190-L193 WeakPolarHBondContact O-CB 3.3Å; D191-L193 PolarHBondContact O-N 3.41Å; L193-V195 HydrophobicContact CD2-CG1 4.38Å; L193-V195 HydrophobicContact CG-CG1 4.33Å; L193-V195 PolarHBondContact O-N 2.95Å; L193-V201 HydrophobicContact CD2-CG1 4.25Å; L193-V201 HydrophobicContact CD2-CG2 3.95Å; L193-S283 VanDerWaalsContact O-CB 3.28Å; L193-S283 WeakPolarHBondContact O-CB 3.49Å; L193-S283 PolarHBondContact O-OG 2.77Å
194	C	94.1	Very high	94.6	Very high	43 Å²	43	37.8 Å²	37.8	29%	0.291	20%	0.195	S	C	.	.			trans	-90.7	104	-175.7	-65.4	0	0	0	0	111.8	L164 E192	L164-C194 WeakPolarHBondContact O-CB 3.32Å; L164-C194 PolarHBondContact O-N 3.14Å; E192-C194 PolarHBondContact O-N 3.4Å; E192-C194 VanDerWaalsContact O-N 3.16Å; E192-C194 PolarHBondContact O-SG 2.93Å; E192-C194 VanDerWaalsContact O-SG 3.37Å
195	V	93.8	Very high	94.6	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	20%	0.195	C	C	.	.			trans	-132.3	152.8	174.8	-69.3	0	0	0	0	110.3	I167 M168 L193 T200 V201 S283 T284	I167-V195 HydrophobicContact CG2-CG1 4.06Å; M168-V195 HydrophobicContact CG-CG1 4.45Å; L193-V195 HydrophobicContact CD2-CG1 4.38Å; L193-V195 HydrophobicContact CG-CG1 4.33Å; L193-V195 PolarHBondContact O-N 2.95Å; V195-T200 HydrophobicContact CG1-CG2 4.31Å; V195-V201 HydrophobicContact CB-CG2 4.27Å; V195-V201 HydrophobicContact CG1-CG2 3.82Å; V195-V201 HydrophobicContact CG2-CG2 3.77Å; V195-S283 PolarHBondContact N-OG 3.5Å; V195-S283 CarbonylContact O-C 3.55Å; V195-S283 PolarHBondContact O-OG 3.15Å; V195-T284 HydrophobicContact CG2-CG2 4.25Å
196	D	91.9	Very high	94.6	Very high	82 Å²	82	37 Å²	37	44%	0.439	19%	0.191	S	C	.	.	S	Bend	trans	-69.3	-39.9	173.1	65.8	-37	0	0	0	111.4	M168 T200	M168-D196 HydrophobicContact SD-CB 4.49Å; D196-T200 PolarHBondContact OD1-OG1 3.35Å
197	K	93.7	Very high	94.5	Very high	93 Å²	93	37.6 Å²	37.6	40%	0.404	19%	0.19	S	C	.	.			trans	-151.5	160.6	-178.2	-47.3	172.5	-176.9	147.6	0	111.4	E199 T200	K197-E199 WeakPolarHBondContact CB-OE2 3.36Å; K197-E199 PolarHBondContact O-N 3.01Å; K197-T200 WeakPolarHBondContact O-CB 3.4Å; K197-T200 PolarHBondContact O-N 3.37Å; K197-T200 VanDerWaalsContact O-N 3.15Å
198	E	95.1	Very high	94.6	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.028	19%	0.191	C	C	.	.	H	α-helix	trans	-68	-24.6	-179.2	-164.5	62.3	-157.9	0	0	112.9	T200 V201 Y202 V227 R228 V232 R281	E198-T200 PolarHBondContact O-N 3.23Å; E198-V201 WeakPolarHBondContact O-CB 3.47Å; E198-V201 PolarHBondContact O-N 2.72Å; E198-V201 VanDerWaalsContact O-N 3.13Å; E198-Y202 PolarHBondContact O-N 3.34Å; E198-V227 HydrophobicContact CG-CG1 4.06Å; E198-R228 HydrophobicContact CG-CB 3.98Å; E198-R228 PolarHBondContact OE1-N 2.7Å; E198-V232 HydrophobicContact CB-CG2 3.89Å; E198-V232 HydrophobicContact CG-CG2 3.82Å; E198-R281 IonicContact OE1-CZ 2.67Å; E198-R281 IonicContact OE1-NE 2.69Å; E198-R281 PolarHBondContact OE1-NE 3.43Å; E198-R281 IonicContact OE1-NH2 3.5Å; E198-R281 PolarHBondContact OE1-NH2 3.43Å; E198-R281 VanDerWaalsContact OE2-CD 3.31Å; E198-R281 WeakPolarHBondContact OE2-CD 3.5Å; E198-R281 IonicContact OE2-CZ 3.25Å; E198-R281 IonicContact OE2-NE 2.77Å; E198-R281 PolarHBondContact OE2-NE 2.93Å; E198-R281 IonicContact OE2-NH2 3.58Å
199	E	96.1	Very high	94.6	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-35.5	172.7	-66.3	91.2	152.4	0	0	112.2	K197 V201 Y202 Q203 V232 R233 F236	K197-E199 WeakPolarHBondContact CB-OE2 3.36Å; K197-E199 PolarHBondContact O-N 3.01Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-V201 PolarHBondContact O-N 3.35Å; E199-Y202 WeakPolarHBondContact O-CB 3.35Å; E199-Y202 PolarHBondContact O-N 2.59Å; E199-Q203 VanDerWaalsContact O-CG 3.27Å; E199-Q203 WeakPolarHBondContact O-CG 3.49Å; E199-Q203 PolarHBondContact O-N 2.71Å; E199-V232 HydrophobicContact CG-CG1 4.05Å; E199-R233 WeakPolarHBondContact OE1-CB 3.4Å; E199-R233 VanDerWaalsContact OE1-CG 3.31Å; E199-R233 WeakPolarHBondContact OE1-CG 3.36Å; E199-R233 IonicContact OE1-CZ 3.21Å; E199-R233 PolarHBondContact OE1-N 3.07Å; E199-R233 IonicContact OE1-NE 2.8Å; E199-R233 PolarHBondContact OE1-NE 3.35Å; E199-R233 IonicContact OE1-NH2 2.77Å; E199-R233 PolarHBondContact OE1-NH2 3.28Å; E199-F236 HydrophobicContact CB-CD1 4.29Å; E199-F236 HydrophobicContact CB-CE1 4.1Å; E199-F236 HydrophobicContact CB-CE2 4.43Å; E199-F236 HydrophobicContact CB-CZ 4.17Å; E199-F236 HydrophobicContact CG-CB 4.15Å; E199-F236 HydrophobicContact CG-CD1 3.58Å; E199-F236 HydrophobicContact CG-CD2 4.05Å; E199-F236 HydrophobicContact CG-CE1 3.9Å; E199-F236 HydrophobicContact CG-CE2 4.33Å; E199-F236 HydrophobicContact CG-CG 3.65Å; E199-F236 HydrophobicContact CG-CZ 4.27Å
200	T	95.7	Very high	94.5	Very high	25 Å²	25	40.9 Å²	40.9	15%	0.153	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-39.7	179.8	-56.8	0	0	0	0	110.5	M168 V195 D196 K197 E198 Q203 I204	M168-T200 HydrophobicContact CG-CG2 4Å; M168-T200 HydrophobicContact SD-CG2 4.34Å; V195-T200 HydrophobicContact CG1-CG2 4.31Å; D196-T200 PolarHBondContact OD1-OG1 3.35Å; K197-T200 WeakPolarHBondContact O-CB 3.4Å; K197-T200 PolarHBondContact O-N 3.37Å; K197-T200 VanDerWaalsContact O-N 3.15Å; E198-T200 PolarHBondContact O-N 3.23Å; T200-Q203 PolarHBondContact O-N 2.91Å; T200-I204 HydrophobicContact CG2-CD1 4.01Å; T200-I204 WeakPolarHBondContact O-CB 3.47Å; T200-I204 WeakPolarHBondContact O-CG1 3.11Å; T200-I204 PolarHBondContact O-N 3.22Å
201	V	96.4	Very high	94.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-45.2	176.1	-171.7	0	0	0	0	111	V188 L193 V195 E198 E199 Q203 I204 A205 V227	V188-V201 HydrophobicContact CG1-CG1 3.61Å; L193-V201 HydrophobicContact CD2-CG1 4.25Å; L193-V201 HydrophobicContact CD2-CG2 3.95Å; V195-V201 HydrophobicContact CB-CG2 4.27Å; V195-V201 HydrophobicContact CG1-CG2 3.82Å; V195-V201 HydrophobicContact CG2-CG2 3.77Å; E198-V201 WeakPolarHBondContact O-CB 3.47Å; E198-V201 PolarHBondContact O-N 2.72Å; E198-V201 VanDerWaalsContact O-N 3.13Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-V201 PolarHBondContact O-N 3.35Å; V201-Q203 VanDerWaalsContact C-N 3.34Å; V201-Q203 PolarHBondContact O-N 3.4Å; V201-I204 PolarHBondContact O-N 3.4Å; V201-A205 PolarHBondContact O-N 2.96Å; V201-V227 HydrophobicContact CG1-CG2 4.21Å
202	Y	96.6	Very high	94.6	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-47.5	174.6	175	-97.2	0	0	0	111.4	E198 E199 I204 A205 V206 W220 L224 F236 V241	E198-Y202 PolarHBondContact O-N 3.34Å; E199-Y202 WeakPolarHBondContact O-CB 3.35Å; E199-Y202 PolarHBondContact O-N 2.59Å; Y202-I204 PolarHBondContact O-N 3.2Å; Y202-A205 PolarHBondContact O-N 3.35Å; Y202-V206 HydrophobicContact CD1-CG2 4.09Å; Y202-V206 HydrophobicContact CD2-CG2 4.2Å; Y202-V206 HydrophobicContact CE1-CG2 3.65Å; Y202-V206 HydrophobicContact CE2-CG2 3.76Å; Y202-V206 HydrophobicContact CG-CG2 4.35Å; Y202-V206 VanDerWaalsContact CZ-CG2 3.46Å; Y202-V206 WeakPolarHBondContact O-CB 3.17Å; Y202-V206 VanDerWaalsContact O-CG2 3.31Å; Y202-V206 WeakPolarHBondContact O-CG2 3.41Å; Y202-V206 PolarHBondContact O-N 3.28Å; Y202-W220 HydrophobicContact CD2-CH2 4.04Å; Y202-W220 AromaticContact CE2-CH2 3.67Å; Y202-W220 HydrophobicContact CE2-CH2 3.67Å; Y202-W220 AromaticContact CE2-CZ2 3.81Å; Y202-W220 HydrophobicContact CE2-CZ2 3.81Å; Y202-L224 HydrophobicContact CD2-CD1 3.96Å; Y202-L224 HydrophobicContact CE2-CD1 4.02Å; Y202-F236 AromaticContact CD1-CE1 3.73Å; Y202-F236 HydrophobicContact CD1-CE1 3.73Å; Y202-F236 HydrophobicContact CD1-CZ 4.04Å; Y202-F236 HydrophobicContact CE1-CE1 4.19Å; Y202-F236 HydrophobicContact CE1-CZ 4.44Å; Y202-F236 HydrophobicContact CG-CE1 4.44Å; Y202-V241 HydrophobicContact CD1-CG2 4.12Å; Y202-V241 HydrophobicContact CD2-CG1 4.31Å; Y202-V241 HydrophobicContact CD2-CG2 4.14Å; Y202-V241 HydrophobicContact CE1-CG2 3.91Å; Y202-V241 HydrophobicContact CE2-CB 4.24Å; Y202-V241 HydrophobicContact CE2-CG1 3.68Å; Y202-V241 HydrophobicContact CE2-CG2 3.93Å; Y202-V241 HydrophobicContact CG-CG2 4.22Å
203	Q	95.4	Very high	94.6	Very high	104 Å²	104	38.4 Å²	38.4	49%	0.486	20%	0.195	S	C	.	.	H	α-helix	trans	-62.2	-41.4	179.6	-72	172.2	6.2	0	0	112.4	E199 T200 V201 V206 R207 F236	E199-Q203 VanDerWaalsContact O-CG 3.27Å; E199-Q203 WeakPolarHBondContact O-CG 3.49Å; E199-Q203 PolarHBondContact O-N 2.71Å; T200-Q203 PolarHBondContact O-N 2.91Å; V201-Q203 VanDerWaalsContact C-N 3.34Å; V201-Q203 PolarHBondContact O-N 3.4Å; Q203-V206 PolarHBondContact O-N 3.35Å; Q203-R207 VanDerWaalsContact O-CB 3.28Å; Q203-R207 WeakPolarHBondContact O-CB 3.32Å; Q203-R207 PolarHBondContact O-N 3.41Å; Q203-F236 HydrophobicContact CG-CZ 4.3Å
204	I	94.9	Very high	94.5	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.067	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-48.8	176	-69.8	169.5	0	0	0	110.4	I167 A171 F176 T200 V201 Y202 R207 W208	I167-I204 HydrophobicContact CG1-CD1 4.33Å; I167-I204 HydrophobicContact CG2-CD1 4.39Å; A171-I204 HydrophobicContact CB-CB 4.49Å; A171-I204 HydrophobicContact CB-CD1 4Å; A171-I204 HydrophobicContact CB-CG1 3.66Å; A171-I204 HydrophobicContact CB-CG2 4.15Å; F176-I204 HydrophobicContact CE1-CG2 3.54Å; F176-I204 HydrophobicContact CE2-CG2 4.4Å; F176-I204 HydrophobicContact CZ-CG2 3.31Å; T200-I204 HydrophobicContact CG2-CD1 4.01Å; T200-I204 WeakPolarHBondContact O-CB 3.47Å; T200-I204 WeakPolarHBondContact O-CG1 3.11Å; T200-I204 PolarHBondContact O-N 3.22Å; V201-I204 PolarHBondContact O-N 3.4Å; Y202-I204 PolarHBondContact O-N 3.2Å; I204-R207 PolarHBondContact O-N 3.49Å; I204-W208 PolarHBondContact O-N 3.27Å; I204-W208 VanDerWaalsContact O-N 3.13Å
205	A	95.7	Very high	94.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-44.8	179.8	0	0	0	0	0	112	V201 Y202 R207 W208 V209 W220	V201-A205 PolarHBondContact O-N 2.96Å; Y202-A205 PolarHBondContact O-N 3.35Å; A205-R207 PolarHBondContact O-N 2.84Å; A205-W208 PolarHBondContact O-N 3.43Å; A205-V209 PolarHBondContact O-N 3.49Å; A205-V209 VanDerWaalsContact O-N 3.12Å; A205-W220 HydrophobicContact CB-CZ3 3.89Å
206	V	94.8	Very high	94.5	Very high	12 Å²	12	55.8 Å²	55.8	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-42.8	177	169.2	0	0	0	0	111.4	Y202 Q203 W208 V209 K210 W220 L246	Y202-V206 HydrophobicContact CD1-CG2 4.09Å; Y202-V206 HydrophobicContact CD2-CG2 4.2Å; Y202-V206 HydrophobicContact CE1-CG2 3.65Å; Y202-V206 HydrophobicContact CE2-CG2 3.76Å; Y202-V206 HydrophobicContact CG-CG2 4.35Å; Y202-V206 VanDerWaalsContact CZ-CG2 3.46Å; Y202-V206 WeakPolarHBondContact O-CB 3.17Å; Y202-V206 VanDerWaalsContact O-CG2 3.31Å; Y202-V206 WeakPolarHBondContact O-CG2 3.41Å; Y202-V206 PolarHBondContact O-N 3.28Å; Q203-V206 PolarHBondContact O-N 3.35Å; V206-W208 VanDerWaalsContact C-N 3.35Å; V206-W208 PolarHBondContact O-N 3.28Å; V206-V209 PolarHBondContact O-N 3.23Å; V206-K210 HydrophobicContact CG1-CD 3.59Å; V206-K210 VanDerWaalsContact CG1-CE 3.41Å; V206-K210 HydrophobicContact CG1-CG 4.09Å; V206-K210 WeakPolarHBondContact O-CB 3.48Å; V206-K210 WeakPolarHBondContact O-CG 3.28Å; V206-K210 PolarHBondContact O-N 2.61Å; V206-W220 HydrophobicContact CB-CH2 4.49Å; V206-W220 HydrophobicContact CG2-CH2 3.3Å; V206-W220 HydrophobicContact CG2-CZ2 4.04Å; V206-W220 HydrophobicContact CG2-CZ3 3.81Å; V206-L246 HydrophobicContact CG1-CD1 4.32Å
207	R	94.1	Very high	94.6	Very high	94 Å²	94	56 Å²	56	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-59.6	-46.5	178.5	179.9	177.9	175.5	167.2	-6	111.2	A171 K172 E177 Q203 I204 A205 V209 K210 A211	A171-R207 PolarHBondContact O-NH1 2.85Å; K172-R207 PolarHBondContact O-NH2 3.08Å; E177-R207 IonicContact OE1-CZ 3.44Å; E177-R207 IonicContact OE1-NE 3.04Å; E177-R207 PolarHBondContact OE1-NE 3.13Å; E177-R207 IonicContact OE1-NH2 2.94Å; E177-R207 PolarHBondContact OE1-NH2 3.3Å; Q203-R207 VanDerWaalsContact O-CB 3.28Å; Q203-R207 WeakPolarHBondContact O-CB 3.32Å; Q203-R207 PolarHBondContact O-N 3.41Å; I204-R207 PolarHBondContact O-N 3.49Å; A205-R207 PolarHBondContact O-N 2.84Å; R207-V209 VanDerWaalsContact C-N 3.34Å; R207-V209 PolarHBondContact O-N 3.12Å; R207-K210 PolarHBondContact O-N 3.43Å; R207-A211 PolarHBondContact O-N 3.37Å
208	W	95.6	Very high	94.6	Very high	6 Å²	6	57.7 Å²	57.7	2%	0.023	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-40.1	178.6	-178	94.5	0	0	0	112.2	F176 L179 W181 L184 I204 A205 V206 R216 Y219 L223	F176-W208 HydrophobicContact CE1-CB 4.47Å; L179-W208 PolarHBondContact O-NE1 3.1Å; W181-W208 HydrophobicContact CB-CH2 3.54Å; W181-W208 HydrophobicContact CB-CZ2 3.92Å; W181-W208 HydrophobicContact CB-CZ3 4.45Å; L184-W208 HydrophobicContact CD2-CB 3.68Å; L184-W208 HydrophobicContact CD2-CD2 3.45Å; L184-W208 VanDerWaalsContact CD2-CD2 3.45Å; L184-W208 HydrophobicContact CD2-CE3 3.8Å; L184-W208 HydrophobicContact CD2-CG 3.39Å; I204-W208 PolarHBondContact O-N 3.27Å; I204-W208 VanDerWaalsContact O-N 3.13Å; A205-W208 PolarHBondContact O-N 3.43Å; V206-W208 VanDerWaalsContact C-N 3.35Å; V206-W208 PolarHBondContact O-N 3.28Å; W208-R216 HydrophobicContact CE3-CB 4.4Å; W208-R216 HydrophobicContact CE3-CG 4.41Å; W208-R216 HydrophobicContact CH2-CB 4.16Å; W208-R216 HydrophobicContact CH2-CG 3.69Å; W208-R216 HydrophobicContact CZ2-CG 4.27Å; W208-R216 HydrophobicContact CZ3-CB 3.78Å; W208-R216 HydrophobicContact CZ3-CG 3.79Å; W208-R216 WeakPolarHBondContact O-CD 3.27Å; W208-R216 PolarHBondContact O-NH1 3.3Å; W208-Y219 HydrophobicContact CH2-CD2 4.27Å; W208-L223 HydrophobicContact CE3-CD1 3.73Å; W208-L223 HydrophobicContact CZ3-CD1 3.81Å
209	V	95	Very high	94.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.2	-44.1	175.9	174.7	0	0	0	0	111.6	A205 V206 R207 A211 D212 L213 R216 W220 L223 L246	A205-V209 PolarHBondContact O-N 3.49Å; A205-V209 VanDerWaalsContact O-N 3.12Å; V206-V209 PolarHBondContact O-N 3.23Å; R207-V209 VanDerWaalsContact C-N 3.34Å; R207-V209 PolarHBondContact O-N 3.12Å; V209-A211 PolarHBondContact O-N 3.46Å; V209-D212 CarbonylContact O-C 3.56Å; V209-D212 VanDerWaalsContact O-C 3.3Å; V209-D212 PolarHBondContact O-N 2.6Å; V209-L213 HydrophobicContact CG1-CD1 4.31Å; V209-L213 WeakPolarHBondContact O-CA 3.44Å; V209-L213 PolarHBondContact O-N 2.8Å; V209-R216 HydrophobicContact CG1-CB 4.34Å; V209-W220 HydrophobicContact CG1-CB 4.47Å; V209-W220 HydrophobicContact CG2-CB 4.35Å; V209-W220 HydrophobicContact CG2-CE3 3.8Å; V209-L223 HydrophobicContact CG2-CD1 3.9Å; V209-L246 HydrophobicContact CG1-CD1 4.31Å; V209-L246 HydrophobicContact CG1-CD2 4.38Å
210	K	93.6	Very high	94.5	Very high	117 Å²	117	59.9 Å²	59.9	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-23.8	-178.9	-74.6	-178	179.9	165.5	0	113.2	V206 R207 D212 D244 L246	V206-K210 HydrophobicContact CG1-CD 3.59Å; V206-K210 VanDerWaalsContact CG1-CE 3.41Å; V206-K210 HydrophobicContact CG1-CG 4.09Å; V206-K210 WeakPolarHBondContact O-CB 3.48Å; V206-K210 WeakPolarHBondContact O-CG 3.28Å; V206-K210 PolarHBondContact O-N 2.61Å; R207-K210 PolarHBondContact O-N 3.43Å; K210-D212 VanDerWaalsContact C-N 3.29Å; K210-D212 PolarHBondContact O-N 3.26Å; K210-D244 IonicContact NZ-OD2 2.77Å; K210-D244 PolarHBondContact NZ-OD2 3.16Å; K210-L246 HydrophobicContact CG-CD1 4.26Å
211	A	93.5	Very high	94.5	Very high	52 Å²	52	60.3 Å²	60.3	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-30.9	175.5	0	0	0	0	0	113.6	E177 R207 V209	E177-A211 HydrophobicContact CB-CB 4.36Å; E177-A211 HydrophobicContact CG-CB 4.31Å; R207-A211 PolarHBondContact O-N 3.37Å; V209-A211 PolarHBondContact O-N 3.46Å
212	D	93.4	Very high	94.5	Very high	47 Å²	47	63.8 Å²	63.8	25%	0.251	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147	74.4	172.6	-176.5	-5.4	0	0	0	110	V209 K210 Q214 R215 R216	V209-D212 CarbonylContact O-C 3.56Å; V209-D212 VanDerWaalsContact O-C 3.3Å; V209-D212 PolarHBondContact O-N 2.6Å; K210-D212 VanDerWaalsContact C-N 3.29Å; K210-D212 PolarHBondContact O-N 3.26Å; D212-Q214 VanDerWaalsContact C-N 3.28Å; D212-Q214 PolarHBondContact O-N 2.94Å; D212-R215 PolarHBondContact O-N 3.48Å; D212-R215 PolarHBondContact OD1-N 3.34Å; D212-R215 WeakPolarHBondContact OD2-CD 3.2Å; D212-R216 HydrophobicContact CB-CG 4.18Å; D212-R216 WeakPolarHBondContact O-CB 3.42Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.43Å; D212-R216 PolarHBondContact O-N 2.89Å
213	L	92.9	Very high	94.4	Very high	87 Å²	87	63.5 Å²	63.5	46%	0.455	30%	0.298	S	S	.	.	H	α-helix	trans	-57.3	-39.4	-172.9	-177.9	61.9	0	0	0	112.7	V209 R215 L217 L246	V209-L213 HydrophobicContact CG1-CD1 4.31Å; V209-L213 WeakPolarHBondContact O-CA 3.44Å; V209-L213 PolarHBondContact O-N 2.8Å; L213-R215 PolarHBondContact O-N 3.2Å; L213-L217 HydrophobicContact CD1-CB 4.35Å; L213-L217 HydrophobicContact CD1-CD1 4.07Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 PolarHBondContact O-N 3.45Å; L213-L217 VanDerWaalsContact O-N 3.11Å; L213-L246 HydrophobicContact CD1-CD2 3.59Å
214	Q	92	Very high	94.4	Very high	189 Å²	189	58.6 Å²	58.6	88%	0.883	28%	0.275	S	S	*	.	H	α-helix	trans	-65.4	-40.5	-174.7	-70.9	-172.5	-17.6	0	0	112.4	D212	D212-Q214 VanDerWaalsContact C-N 3.28Å; D212-Q214 PolarHBondContact O-N 2.94Å
215	R	93.5	Very high	94.5	Very high	188 Å²	188	62.2 Å²	62.2	71%	0.709	29%	0.292	S	S	*	.	H	α-helix	trans	-90.1	-26	-178.4	-60.5	-174.1	-178.8	161.9	-3.6	112.9	D212 L213	D212-R215 PolarHBondContact O-N 3.48Å; D212-R215 PolarHBondContact OD1-N 3.34Å; D212-R215 WeakPolarHBondContact OD2-CD 3.2Å; L213-R215 PolarHBondContact O-N 3.2Å
216	R	94.9	Very high	94.5	Very high	38 Å²	38	63.8 Å²	63.8	14%	0.143	30%	0.299	C	S	.	.	H	α-helix	trans	-99.5	-15.1	-170.1	-61	177.4	-177.8	-172.9	-1.7	114.8	E177 W208 V209 D212 H218 Y219	E177-R216 VanDerWaalsContact O-CZ 3.3Å; E177-R216 PolarHBondContact O-NH1 2.95Å; E177-R216 PolarHBondContact O-NH2 3.1Å; W208-R216 HydrophobicContact CE3-CB 4.4Å; W208-R216 HydrophobicContact CE3-CG 4.41Å; W208-R216 HydrophobicContact CH2-CB 4.16Å; W208-R216 HydrophobicContact CH2-CG 3.69Å; W208-R216 HydrophobicContact CZ2-CG 4.27Å; W208-R216 HydrophobicContact CZ3-CB 3.78Å; W208-R216 HydrophobicContact CZ3-CG 3.79Å; W208-R216 WeakPolarHBondContact O-CD 3.27Å; W208-R216 PolarHBondContact O-NH1 3.3Å; V209-R216 HydrophobicContact CG1-CB 4.34Å; D212-R216 HydrophobicContact CB-CG 4.18Å; D212-R216 WeakPolarHBondContact O-CB 3.42Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.43Å; D212-R216 PolarHBondContact O-N 2.89Å; R216-H218 PolarHBondContact O-N 3.33Å; R216-H218 VanDerWaalsContact O-N 3.14Å; R216-Y219 PolarHBondContact O-N 2.76Å
217	L	93.5	Very high	94.5	Very high	88 Å²	88	63.2 Å²	63.2	46%	0.461	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-54.1	-36.7	-177.2	-179	64.5	0	0	0	113.3	L213 Y219 W220 L246	L213-L217 HydrophobicContact CD1-CB 4.35Å; L213-L217 HydrophobicContact CD1-CD1 4.07Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 PolarHBondContact O-N 3.45Å; L213-L217 VanDerWaalsContact O-N 3.11Å; L217-Y219 VanDerWaalsContact C-N 3.3Å; L217-Y219 PolarHBondContact O-N 3.07Å; L217-W220 VanDerWaalsContact O-CB 3.3Å; L217-W220 WeakPolarHBondContact O-CB 3.47Å; L217-W220 PolarHBondContact O-N 2.88Å; L217-L246 HydrophobicContact CD1-CD2 3.57Å
218	H	93.6	Very high	94.6	Very high	128 Å²	128	59 Å²	59	59%	0.593	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-70.8	-24.6	-177.3	88.7	79.9	0	0	0	113.6	R216 W220 P221	R216-H218 PolarHBondContact O-N 3.33Å; R216-H218 VanDerWaalsContact O-N 3.14Å; H218-W220 VanDerWaalsContact C-N 3.32Å; H218-P221 WeakPolarHBondContact O-CD 3.44Å
219	Y	94.9	Very high	94.6	Very high	57 Å²	57	58.7 Å²	58.7	22%	0.224	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-80.3	-12.7	175.3	-61.3	-67.2	0	0	0	113.1	W181 W208 R216 L217 E222 L223	W181-Y219 HydrophobicContact CB-CD1 4.25Å; W181-Y219 HydrophobicContact CB-CD2 4.21Å; W181-Y219 HydrophobicContact CB-CE1 4.37Å; W181-Y219 HydrophobicContact CB-CE2 4.36Å; W181-Y219 HydrophobicContact CB-CG 4.18Å; W181-Y219 AromaticContact CD1-CE1 3.64Å; W181-Y219 AromaticContact CD1-CZ 3.52Å; W181-Y219 AromaticContact CD2-CD1 3.73Å; W181-Y219 HydrophobicContact CD2-CD1 3.73Å; W181-Y219 AromaticContact CD2-CE1 3.55Å; W181-Y219 HydrophobicContact CD2-CE1 3.55Å; W181-Y219 AromaticContact CE2-CE1 3.54Å; W181-Y219 AromaticContact CE3-CD1 3.96Å; W181-Y219 HydrophobicContact CE3-CD1 3.96Å; W181-Y219 HydrophobicContact CE3-CE1 4.17Å; W181-Y219 AromaticContact CG-CD1 3.87Å; W181-Y219 HydrophobicContact CG-CD1 3.87Å; W181-Y219 HydrophobicContact CG-CD2 4.42Å; W181-Y219 AromaticContact CG-CE1 3.62Å; W181-Y219 HydrophobicContact CG-CE1 3.62Å; W181-Y219 HydrophobicContact CG-CE2 4.23Å; W181-Y219 HydrophobicContact CG-CG 4.28Å; W181-Y219 AromaticContact CG-CZ 3.84Å; W181-Y219 HydrophobicContact CZ2-CE1 4.16Å; W181-Y219 AromaticContact NE1-CE1 3.59Å; W181-Y219 AromaticContact NE1-CZ 3.73Å; W208-Y219 HydrophobicContact CH2-CD2 4.27Å; R216-Y219 PolarHBondContact O-N 2.76Å; L217-Y219 VanDerWaalsContact C-N 3.3Å; L217-Y219 PolarHBondContact O-N 3.07Å; Y219-E222 PolarHBondContact O-N 3.13Å; Y219-L223 PolarHBondContact O-N 3.45Å; Y219-L223 VanDerWaalsContact O-N 3.17Å
220	W	95.3	Very high	94.6	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-45.8	-173.6	172	-118.4	0	0	0	114.4	Y202 A205 V206 V209 L217 H218 E222 L223 L224 L246 V247	Y202-W220 HydrophobicContact CD2-CH2 4.04Å; Y202-W220 AromaticContact CE2-CH2 3.67Å; Y202-W220 HydrophobicContact CE2-CH2 3.67Å; Y202-W220 AromaticContact CE2-CZ2 3.81Å; Y202-W220 HydrophobicContact CE2-CZ2 3.81Å; A205-W220 HydrophobicContact CB-CZ3 3.89Å; V206-W220 HydrophobicContact CB-CH2 4.49Å; V206-W220 HydrophobicContact CG2-CH2 3.3Å; V206-W220 HydrophobicContact CG2-CZ2 4.04Å; V206-W220 HydrophobicContact CG2-CZ3 3.81Å; V209-W220 HydrophobicContact CG1-CB 4.47Å; V209-W220 HydrophobicContact CG2-CB 4.35Å; V209-W220 HydrophobicContact CG2-CE3 3.8Å; L217-W220 VanDerWaalsContact O-CB 3.3Å; L217-W220 WeakPolarHBondContact O-CB 3.47Å; L217-W220 PolarHBondContact O-N 2.88Å; H218-W220 VanDerWaalsContact C-N 3.32Å; W220-E222 PolarHBondContact O-N 2.72Å; W220-L223 HydrophobicContact CE3-CB 4.39Å; W220-L223 PolarHBondContact O-N 2.82Å; W220-L224 HydrophobicContact CD2-CB 4.45Å; W220-L224 HydrophobicContact CH2-CB 4.33Å; W220-L224 HydrophobicContact CH2-CD1 3.93Å; W220-L224 HydrophobicContact CZ2-CB 4.11Å; W220-L224 HydrophobicContact CZ2-CD1 3.79Å; W220-L224 HydrophobicContact CZ2-CD2 4Å; W220-L224 HydrophobicContact CZ2-CG 4.19Å; W220-L224 WeakPolarHBondContact O-CB 3.3Å; W220-L224 PolarHBondContact O-N 2.74Å; W220-L246 VanDerWaalsContact CD1-O 3.29Å; W220-L246 PolarHBondContact NE1-O 3.36Å; W220-V247 HydrophobicContact CZ2-CG2 3.95Å
221	P	95.3	Very high	94.7	Very high	35 Å²	35	55.3 Å²	55.3	23%	0.227	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-36.7	179.8	-24.7	35.7	0	0	0	113	H218 Q225 T252	H218-P221 WeakPolarHBondContact O-CD 3.44Å; P221-Q225 WeakPolarHBondContact O-CB 3.47Å; P221-Q225 PolarHBondContact O-N 3.39Å; P221-T252 HydrophobicContact CB-CG2 4.37Å
222	E	95.2	Very high	94.8	Very high	74 Å²	74	52.9 Å²	52.9	35%	0.346	24%	0.244	S	C	.	.	H	α-helix	trans	-70.5	-41.1	179.4	-169.1	177	-176.6	0	0	111.6	L185 Y219 W220 Q225	L185-E222 HydrophobicContact CD1-CG 4.03Å; L185-E222 HydrophobicContact CD2-CG 4.17Å; L185-E222 VanDerWaalsContact CD2-OE1 3.3Å; L185-E222 WeakPolarHBondContact CD2-OE1 3.44Å; Y219-E222 PolarHBondContact O-N 3.13Å; W220-E222 PolarHBondContact O-N 2.72Å; E222-Q225 WeakPolarHBondContact O-CB 3.49Å; E222-Q225 PolarHBondContact O-N 2.71Å
223	L	95.6	Very high	94.8	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-44.7	173.4	-72.1	171.3	0	0	0	111.7	L184 L185 W208 V209 Y219 W220 Q225 Q226	L184-L223 HydrophobicContact CD2-CD1 4.05Å; L184-L223 HydrophobicContact CD2-CD2 3.92Å; L184-L223 HydrophobicContact CG-CD2 3.97Å; L185-L223 HydrophobicContact CB-CD2 4.43Å; L185-L223 HydrophobicContact CD1-CD2 4.09Å; W208-L223 HydrophobicContact CE3-CD1 3.73Å; W208-L223 HydrophobicContact CZ3-CD1 3.81Å; V209-L223 HydrophobicContact CG2-CD1 3.9Å; Y219-L223 PolarHBondContact O-N 3.45Å; Y219-L223 VanDerWaalsContact O-N 3.17Å; W220-L223 HydrophobicContact CE3-CB 4.39Å; W220-L223 PolarHBondContact O-N 2.82Å; L223-Q225 PolarHBondContact O-N 2.86Å; L223-Q226 PolarHBondContact O-N 3.14Å
224	L	96.1	Very high	94.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-32.2	179.3	-174.6	62.5	0	0	0	112	Y202 W220 Q226 V227 L229 V247 C253 M256	Y202-L224 HydrophobicContact CD2-CD1 3.96Å; Y202-L224 HydrophobicContact CE2-CD1 4.02Å; W220-L224 HydrophobicContact CD2-CB 4.45Å; W220-L224 HydrophobicContact CH2-CB 4.33Å; W220-L224 HydrophobicContact CH2-CD1 3.93Å; W220-L224 HydrophobicContact CZ2-CB 4.11Å; W220-L224 HydrophobicContact CZ2-CD1 3.79Å; W220-L224 HydrophobicContact CZ2-CD2 4Å; W220-L224 HydrophobicContact CZ2-CG 4.19Å; W220-L224 WeakPolarHBondContact O-CB 3.3Å; W220-L224 PolarHBondContact O-N 2.74Å; L224-Q226 PolarHBondContact O-N 3.19Å; L224-V227 HydrophobicContact CD1-CB 4.42Å; L224-V227 HydrophobicContact CD1-CG2 4.45Å; L224-V227 WeakPolarHBondContact O-CB 3.37Å; L224-V227 PolarHBondContact O-N 2.76Å; L224-L229 HydrophobicContact CD1-CD1 4.14Å; L224-L229 HydrophobicContact CD1-CD2 4.11Å; L224-L229 HydrophobicContact CD1-CG 4.44Å; L224-L229 HydrophobicContact CG-CD1 4.34Å; L224-V247 HydrophobicContact CD2-CG2 4.08Å; L224-C253 HydrophobicContact CD2-CB 3.55Å; L224-M256 HydrophobicContact CB-CE 4Å; L224-M256 HydrophobicContact CD2-CE 3.84Å; L224-M256 HydrophobicContact CG-CE 3.93Å
225	Q	95.6	Very high	94.9	Very high	90 Å²	90	57.1 Å²	57.1	42%	0.421	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-23.7	175.1	-175.2	175.9	-5.3	0	0	113.3	P221 E222 L223 M256 H276 R277	P221-Q225 WeakPolarHBondContact O-CB 3.47Å; P221-Q225 PolarHBondContact O-N 3.39Å; E222-Q225 WeakPolarHBondContact O-CB 3.49Å; E222-Q225 PolarHBondContact O-N 2.71Å; L223-Q225 PolarHBondContact O-N 2.86Å; Q225-M256 VanDerWaalsContact CA-SD 3.56Å; Q225-M256 HydrophobicContact CB-SD 3.74Å; Q225-M256 HydrophobicContact CG-SD 4.2Å; Q225-H276 PolarHBondContact O-CE1 2.94Å; Q225-H276 PolarHBondContact O-NE2 2.87Å; Q225-H276 VanDerWaalsContact O-NE2 3.15Å; Q225-R277 VanDerWaalsContact O-CD 3.26Å; Q225-R277 WeakPolarHBondContact O-CD 3.31Å; Q225-R277 WeakPolarHBondContact O-CG 3.36Å
226	Q	96.1	Very high	95.1	Very high	33 Å²	33	49.1 Å²	49.1	15%	0.154	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.4	175.3	-55.2	-48.9	-35.3	0	0	113.1	L185 V188 L223 L224 H276 R281	L185-Q226 HydrophobicContact CD1-CG 3.47Å; L185-Q226 VanDerWaalsContact CD1-CG 3.47Å; L185-Q226 HydrophobicContact CG-CG 4.45Å; V188-Q226 HydrophobicContact CB-CB 4.38Å; V188-Q226 HydrophobicContact CG1-CB 3.66Å; L223-Q226 PolarHBondContact O-N 3.14Å; L224-Q226 PolarHBondContact O-N 3.19Å; Q226-H276 PolarHBondContact OE1-NE2 3.05Å; Q226-R281 PolarHBondContact O-NH2 3.27Å
227	V	96	Very high	95.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-82.7	129.8	173.2	-174.8	0	0	0	0	109.4	E198 V201 L224 L229 R277	E198-V227 HydrophobicContact CG-CG1 4.06Å; V201-V227 HydrophobicContact CG1-CG2 4.21Å; L224-V227 HydrophobicContact CD1-CB 4.42Å; L224-V227 HydrophobicContact CD1-CG2 4.45Å; L224-V227 WeakPolarHBondContact O-CB 3.37Å; L224-V227 PolarHBondContact O-N 2.76Å; V227-L229 HydrophobicContact CB-CD2 4.42Å; V227-L229 HydrophobicContact CG1-CD2 3.89Å; V227-L229 HydrophobicContact CG1-CG 4.41Å; V227-L229 PolarHBondContact O-N 2.96Å; V227-R277 VanDerWaalsContact O-CD 3.26Å; V227-R277 WeakPolarHBondContact O-CD 3.31Å; V227-R277 WeakPolarHBondContact O-CG 3.41Å
228	R	95.8	Very high	95.2	Very high	5 Å²	5	46.2 Å²	46.2	2%	0.019	21%	0.205	C	C	.	.			trans	-84.2	60.8	-177.3	-45.6	-165.6	-165.7	177.1	1.4	111.2	D191 E198 P230 F231 R279 P280 R281	D191-R228 IonicContact OD1-CZ 2.95Å; D191-R228 IonicContact OD1-NH1 3.94Å; D191-R228 IonicContact OD1-NH2 2.7Å; D191-R228 PolarHBondContact OD1-NH2 3.25Å; E198-R228 HydrophobicContact CG-CB 3.98Å; E198-R228 PolarHBondContact OE1-N 2.7Å; R228-P230 WeakPolarHBondContact O-CD 2.93Å; R228-F231 HydrophobicContact CB-CD2 4.06Å; R228-F231 PolarHBondContact O-N 3.47Å; R228-R279 WeakPolarHBondContact CD-O 3.45Å; R228-R279 PolarHBondContact NH1-O 3.21Å; R228-P280 PolarHBondContact NH1-O 3.22Å; R228-R281 VanDerWaalsContact NH1-CA 3.33Å
229	L	96	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-43.9	-35.4	-179.5	-63.1	178.8	0	0	0	115.2	L224 V227 F231 V232 L237 V241 M256 V257 A260	L224-L229 HydrophobicContact CD1-CD1 4.14Å; L224-L229 HydrophobicContact CD1-CD2 4.11Å; L224-L229 HydrophobicContact CD1-CG 4.44Å; L224-L229 HydrophobicContact CG-CD1 4.34Å; V227-L229 HydrophobicContact CB-CD2 4.42Å; V227-L229 HydrophobicContact CG1-CD2 3.89Å; V227-L229 HydrophobicContact CG1-CG 4.41Å; V227-L229 PolarHBondContact O-N 2.96Å; L229-F231 PolarHBondContact O-N 2.92Å; L229-F231 VanDerWaalsContact O-N 3.13Å; L229-V232 HydrophobicContact CD2-CG2 4.34Å; L229-V232 WeakPolarHBondContact O-CB 3.38Å; L229-V232 PolarHBondContact O-N 3.44Å; L229-V232 VanDerWaalsContact O-N 3.07Å; L229-L237 HydrophobicContact CB-CD1 4.3Å; L229-L237 HydrophobicContact CD2-CD1 4.23Å; L229-V241 HydrophobicContact CD2-CG1 4.18Å; L229-M256 HydrophobicContact CD1-CB 4.12Å; L229-V257 HydrophobicContact CD1-CG2 4.16Å; L229-A260 HydrophobicContact CB-CB 3.64Å
230	P	94.4	Very high	95.2	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.026	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-52.9	-31.3	174	-29.7	37.6	0	0	0	114.8	R228 A260 F263 Q264 R277 M278	R228-P230 WeakPolarHBondContact O-CD 2.93Å; P230-A260 HydrophobicContact CG-CB 4.17Å; P230-F263 HydrophobicContact CB-CB 4.23Å; P230-F263 HydrophobicContact CB-CD1 3.56Å; P230-F263 HydrophobicContact CB-CE1 3.96Å; P230-F263 HydrophobicContact CB-CG 3.88Å; P230-Q264 WeakPolarHBondContact O-CG 3.21Å; P230-Q264 PolarHBondContact O-NE2 2.91Å; P230-R277 HydrophobicContact CG-CB 4.4Å; P230-R277 WeakPolarHBondContact CG-O 3.39Å; P230-M278 HydrophobicContact CG-CG 4.31Å
231	F	94.3	Very high	95.2	Very high	42 Å²	42	43.7 Å²	43.7	18%	0.184	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-97.1	2	-179.3	-59.6	-77.3	0	0	0	114.4	R228 L229 F263 R277 M278 P280 L286 F561	R228-F231 HydrophobicContact CB-CD2 4.06Å; R228-F231 PolarHBondContact O-N 3.47Å; L229-F231 PolarHBondContact O-N 2.92Å; L229-F231 VanDerWaalsContact O-N 3.13Å; F231-F263 HydrophobicContact CE1-CE1 4.36Å; F231-F263 HydrophobicContact CE1-CZ 4.41Å; F231-F263 HydrophobicContact CZ-CE1 4.39Å; F231-F263 HydrophobicContact CZ-CZ 4.13Å; F231-R277 WeakPolarHBondContact CE2-O 3.28Å; F231-M278 VanDerWaalsContact CE2-C 3.4Å; F231-M278 WeakPolarHBondContact CZ-O 3.42Å; F231-P280 HydrophobicContact CD1-CB 4.12Å; F231-P280 HydrophobicContact CD2-CB 4.43Å; F231-P280 HydrophobicContact CE1-CB 3.93Å; F231-P280 HydrophobicContact CE1-CG 4.31Å; F231-P280 HydrophobicContact CE2-CB 4.27Å; F231-P280 HydrophobicContact CG-CB 4.36Å; F231-P280 HydrophobicContact CZ-CB 4.02Å; F231-P280 VanDerWaalsContact CZ-CD 3.49Å; F231-P280 HydrophobicContact CZ-CG 4.25Å; F231-L286 HydrophobicContact CD1-CD2 3.51Å; F231-L286 HydrophobicContact CE1-CD2 3.92Å; F231-L286 HydrophobicContact CG-CD2 4.46Å; F231-F561 HydrophobicContact CE1-CD1 4.11Å; F231-F561 AromaticContact CE1-CE1 3.92Å; F231-F561 HydrophobicContact CE1-CE1 3.92Å; F231-F561 HydrophobicContact CE1-CE2 4.37Å; F231-F561 HydrophobicContact CE1-CG 4.41Å; F231-F561 HydrophobicContact CE1-CZ 4.06Å; F231-F561 AromaticContact CZ-CE1 3.9Å; F231-F561 HydrophobicContact CZ-CE1 3.9Å; F231-F561 AromaticContact CZ-CZ 3.96Å; F231-F561 HydrophobicContact CZ-CZ 3.96Å
232	V	95.6	Very high	95.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	20%	0.202	C	C	.	.	S	Bend	trans	-73.6	135.5	170.4	168.2	0	0	0	0	109.2	E198 E199 L229 R234 F236 L237 Q264	E198-V232 HydrophobicContact CB-CG2 3.89Å; E198-V232 HydrophobicContact CG-CG2 3.82Å; E199-V232 HydrophobicContact CG-CG1 4.05Å; L229-V232 HydrophobicContact CD2-CG2 4.34Å; L229-V232 WeakPolarHBondContact O-CB 3.38Å; L229-V232 PolarHBondContact O-N 3.44Å; L229-V232 VanDerWaalsContact O-N 3.07Å; V232-R234 PolarHBondContact O-N 3.28Å; V232-F236 HydrophobicContact CG1-CB 4.14Å; V232-F236 HydrophobicContact CG1-CD1 3.63Å; V232-F236 HydrophobicContact CG1-CG 4.32Å; V232-L237 HydrophobicContact CG1-CB 4.08Å; V232-Q264 PolarHBondContact O-NE2 2.9Å
233	R	93.9	Very high	95.1	Very high	148 Å²	148	44.2 Å²	44.2	56%	0.558	21%	0.21	S	C	*	.			trans	-56.1	135.2	179.4	-71.6	178.4	-67.6	163.5	3	111.3	E199 F235 F236 L237	E199-R233 WeakPolarHBondContact OE1-CB 3.4Å; E199-R233 VanDerWaalsContact OE1-CG 3.31Å; E199-R233 WeakPolarHBondContact OE1-CG 3.36Å; E199-R233 IonicContact OE1-CZ 3.21Å; E199-R233 PolarHBondContact OE1-N 3.07Å; E199-R233 IonicContact OE1-NE 2.8Å; E199-R233 PolarHBondContact OE1-NE 3.35Å; E199-R233 IonicContact OE1-NH2 2.77Å; E199-R233 PolarHBondContact OE1-NH2 3.28Å; R233-F235 VanDerWaalsContact C-N 3.28Å; R233-F235 PolarHBondContact O-N 3.11Å; R233-F235 VanDerWaalsContact O-N 3.13Å; R233-F236 WeakPolarHBondContact O-CB 3.47Å; R233-F236 PolarHBondContact O-N 3.35Å; R233-L237 PolarHBondContact O-N 2.82Å
234	R	92.8	Very high	95.1	Very high	106 Å²	106	45 Å²	45	40%	0.4	21%	0.214	S	C	.	.	H	α-helix	trans	-53	-41.3	-172.7	-171.8	159.7	-176.7	85.7	-7.6	114	V232 F236 L237 L238	V232-R234 PolarHBondContact O-N 3.28Å; R234-F236 PolarHBondContact O-N 2.95Å; R234-L237 PolarHBondContact O-N 2.92Å; R234-L238 HydrophobicContact CG-CD1 4.07Å; R234-L238 HydrophobicContact CG-CG 4.47Å; R234-L238 WeakPolarHBondContact O-CG 3.39Å; R234-L238 PolarHBondContact O-N 3.44Å; R234-L238 VanDerWaalsContact O-N 3.09Å
235	F	95	Very high	94.9	Very high	157 Å²	157	49.1 Å²	49.1	69%	0.689	24%	0.241	S	C	*	.	H	α-helix	trans	-59.5	-46.3	175.4	176.4	-96.4	0	0	0	112.3	R233 L238 A239	R233-F235 VanDerWaalsContact C-N 3.28Å; R233-F235 PolarHBondContact O-N 3.11Å; R233-F235 VanDerWaalsContact O-N 3.13Å; F235-L238 PolarHBondContact O-N 2.93Å; F235-A239 HydrophobicContact CE1-CB 4.36Å; F235-A239 HydrophobicContact CE2-CB 4.23Å; F235-A239 HydrophobicContact CZ-CB 4.14Å; F235-A239 WeakPolarHBondContact O-CB 3.49Å; F235-A239 PolarHBondContact O-N 3.42Å
236	F	96.8	Very high	94.8	Very high	21 Å²	21	45.6 Å²	45.6	9%	0.092	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-39.3	179.7	-171.9	-85.5	0	0	0	111.7	E199 Y202 Q203 V232 R233 R234 L238 H240 V241	E199-F236 HydrophobicContact CB-CD1 4.29Å; E199-F236 HydrophobicContact CB-CE1 4.1Å; E199-F236 HydrophobicContact CB-CE2 4.43Å; E199-F236 HydrophobicContact CB-CZ 4.17Å; E199-F236 HydrophobicContact CG-CB 4.15Å; E199-F236 HydrophobicContact CG-CD1 3.58Å; E199-F236 HydrophobicContact CG-CD2 4.05Å; E199-F236 HydrophobicContact CG-CE1 3.9Å; E199-F236 HydrophobicContact CG-CE2 4.33Å; E199-F236 HydrophobicContact CG-CG 3.65Å; E199-F236 HydrophobicContact CG-CZ 4.27Å; Y202-F236 AromaticContact CD1-CE1 3.73Å; Y202-F236 HydrophobicContact CD1-CE1 3.73Å; Y202-F236 HydrophobicContact CD1-CZ 4.04Å; Y202-F236 HydrophobicContact CE1-CE1 4.19Å; Y202-F236 HydrophobicContact CE1-CZ 4.44Å; Y202-F236 HydrophobicContact CG-CE1 4.44Å; Q203-F236 HydrophobicContact CG-CZ 4.3Å; V232-F236 HydrophobicContact CG1-CB 4.14Å; V232-F236 HydrophobicContact CG1-CD1 3.63Å; V232-F236 HydrophobicContact CG1-CG 4.32Å; R233-F236 WeakPolarHBondContact O-CB 3.47Å; R233-F236 PolarHBondContact O-N 3.35Å; R234-F236 PolarHBondContact O-N 2.95Å; F236-L238 PolarHBondContact O-N 3Å; F236-H240 HydrophobicContact CD1-CB 4.41Å; F236-H240 HydrophobicContact CD2-CB 4.21Å; F236-H240 AromaticContact CD2-CD2 3.55Å; F236-H240 HydrophobicContact CE1-CB 4.35Å; F236-H240 HydrophobicContact CE2-CB 4.15Å; F236-H240 AromaticContact CE2-CD2 3.46Å; F236-H240 VanDerWaalsContact CE2-CD2 3.46Å; F236-H240 WeakPolarHBondContact CE2-CD2 3.26Å; F236-H240 HydrophobicContact CG-CB 4.35Å; F236-H240 HydrophobicContact CZ-CB 4.22Å; F236-H240 WeakPolarHBondContact O-CA 3.41Å; F236-H240 WeakPolarHBondContact O-CB 3.31Å; F236-H240 PolarHBondContact O-N 3.15Å; F236-V241 HydrophobicContact CD1-CG2 3.77Å; F236-V241 HydrophobicContact CE1-CG2 3.71Å; F236-V241 PolarHBondContact O-N 3.35Å; F236-V241 VanDerWaalsContact O-N 3.11Å
237	L	96.5	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-57.4	-49.3	176.1	-174.8	68.2	0	0	0	111.3	L229 V232 R233 R234 V241 E242 V257 A260 R261	L229-L237 HydrophobicContact CB-CD1 4.3Å; L229-L237 HydrophobicContact CD2-CD1 4.23Å; V232-L237 HydrophobicContact CG1-CB 4.08Å; R233-L237 PolarHBondContact O-N 2.82Å; R234-L237 PolarHBondContact O-N 2.92Å; L237-V241 HydrophobicContact CD1-CB 4.19Å; L237-V241 HydrophobicContact CD1-CG1 4.26Å; L237-V241 HydrophobicContact CD1-CG2 4.44Å; L237-V241 WeakPolarHBondContact O-CB 3.37Å; L237-V241 PolarHBondContact O-N 3.43Å; L237-E242 PolarHBondContact O-N 2.94Å; L237-V257 HydrophobicContact CD1-CG1 4.31Å; L237-V257 HydrophobicContact CG-CG1 4.4Å; L237-A260 HydrophobicContact CD2-CB 4.03Å; L237-R261 HydrophobicContact CD2-CG 4.17Å
238	L	93.8	Very high	94.6	Very high	64 Å²	64	51.4 Å²	51.4	34%	0.335	25%	0.246	S	C	.	.	I	π-helix	trans	-77.3	-45.3	-176.9	-61.7	177.1	0	0	0	112.5	R234 F235 F236 E242 R261	R234-L238 HydrophobicContact CG-CD1 4.07Å; R234-L238 HydrophobicContact CG-CG 4.47Å; R234-L238 WeakPolarHBondContact O-CG 3.39Å; R234-L238 PolarHBondContact O-N 3.44Å; R234-L238 VanDerWaalsContact O-N 3.09Å; F235-L238 PolarHBondContact O-N 2.93Å; F236-L238 PolarHBondContact O-N 3Å; L238-E242 VanDerWaalsContact CD2-OE2 3.26Å; L238-E242 WeakPolarHBondContact CD2-OE2 3.5Å; L238-R261 HydrophobicContact CD2-CG 4.36Å
239	A	94.4	Very high	94.4	Very high	43 Å²	43	57.5 Å²	57.5	36%	0.355	28%	0.278	S	S	.	.	I	π-helix	trans	-85.2	-18.7	-170.6	0	0	0	0	0	113.9	F235 S243	F235-A239 HydrophobicContact CE1-CB 4.36Å; F235-A239 HydrophobicContact CE2-CB 4.23Å; F235-A239 HydrophobicContact CZ-CB 4.14Å; F235-A239 WeakPolarHBondContact O-CB 3.49Å; F235-A239 PolarHBondContact O-N 3.42Å; A239-S243 VanDerWaalsContact C-OG 3.28Å; A239-S243 PolarHBondContact O-OG 3.01Å
240	H	94.8	Very high	94.3	Very high	91 Å²	91	58.7 Å²	58.7	42%	0.421	29%	0.287	S	S	.	.	I	π-helix	trans	-125.9	-46.7	-174.4	-61.7	15.6	0	0	0	111.8	F236 S243 D244	F236-H240 HydrophobicContact CD1-CB 4.41Å; F236-H240 HydrophobicContact CD2-CB 4.21Å; F236-H240 AromaticContact CD2-CD2 3.55Å; F236-H240 HydrophobicContact CE1-CB 4.35Å; F236-H240 HydrophobicContact CE2-CB 4.15Å; F236-H240 AromaticContact CE2-CD2 3.46Å; F236-H240 VanDerWaalsContact CE2-CD2 3.46Å; F236-H240 WeakPolarHBondContact CE2-CD2 3.26Å; F236-H240 HydrophobicContact CG-CB 4.35Å; F236-H240 HydrophobicContact CZ-CB 4.22Å; F236-H240 WeakPolarHBondContact O-CA 3.41Å; F236-H240 WeakPolarHBondContact O-CB 3.31Å; F236-H240 PolarHBondContact O-N 3.15Å; H240-S243 WeakPolarHBondContact CA-OG 3.32Å; H240-S243 PolarHBondContact O-OG 2.92Å; H240-D244 PolarHBondContact O-N 3.46Å
241	V	95.9	Very high	94.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.316	C	S	.	.	I	π-helix	trans	-74.3	-54.4	-177.8	-179.2	0	0	0	0	111.4	Y202 L229 F236 L237 S243 D244 V247 V257	Y202-V241 HydrophobicContact CD1-CG2 4.12Å; Y202-V241 HydrophobicContact CD2-CG1 4.31Å; Y202-V241 HydrophobicContact CD2-CG2 4.14Å; Y202-V241 HydrophobicContact CE1-CG2 3.91Å; Y202-V241 HydrophobicContact CE2-CB 4.24Å; Y202-V241 HydrophobicContact CE2-CG1 3.68Å; Y202-V241 HydrophobicContact CE2-CG2 3.93Å; Y202-V241 HydrophobicContact CG-CG2 4.22Å; L229-V241 HydrophobicContact CD2-CG1 4.18Å; F236-V241 HydrophobicContact CD1-CG2 3.77Å; F236-V241 HydrophobicContact CE1-CG2 3.71Å; F236-V241 PolarHBondContact O-N 3.35Å; F236-V241 VanDerWaalsContact O-N 3.11Å; L237-V241 HydrophobicContact CD1-CB 4.19Å; L237-V241 HydrophobicContact CD1-CG1 4.26Å; L237-V241 HydrophobicContact CD1-CG2 4.44Å; L237-V241 WeakPolarHBondContact O-CB 3.37Å; L237-V241 PolarHBondContact O-N 3.43Å; V241-S243 VanDerWaalsContact C-N 3.3Å; V241-S243 PolarHBondContact O-N 3.15Å; V241-D244 PolarHBondContact O-N 2.61Å; V241-V247 HydrophobicContact CG1-CG2 4.25Å; V241-V247 VanDerWaalsContact O-CB 3.28Å; V241-V247 WeakPolarHBondContact O-CB 3.48Å; V241-V247 WeakPolarHBondContact O-CG2 3.46Å; V241-V257 HydrophobicContact CG1-CG2 4.11Å
242	E	94.6	Very high	94.4	Very high	49 Å²	49	64.6 Å²	64.6	23%	0.229	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.6	-177.7	-171.2	172.7	171.4	0	0	112.1	L237 L238 L254 V257 R261	L237-E242 PolarHBondContact O-N 2.94Å; L238-E242 VanDerWaalsContact CD2-OE2 3.26Å; L238-E242 WeakPolarHBondContact CD2-OE2 3.5Å; E242-L254 HydrophobicContact CG-CD2 4.45Å; E242-V257 HydrophobicContact CB-CG1 4.19Å; E242-V257 HydrophobicContact CG-CG1 4.29Å; E242-R261 IonicContact OE1-NH1 2.66Å; E242-R261 PolarHBondContact OE1-NH1 3.47Å; E242-R261 IonicContact OE2-NH1 3.73Å; E242-R261 PolarHBondContact OE2-NH1 2.71Å
243	S	93.4	Very high	94.4	Very high	72 Å²	72	64.5 Å²	64.5	50%	0.503	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-15	179.1	59.6	0	0	0	0	114.8	A239 H240 V241	A239-S243 VanDerWaalsContact C-OG 3.28Å; A239-S243 PolarHBondContact O-OG 3.01Å; H240-S243 WeakPolarHBondContact CA-OG 3.32Å; H240-S243 PolarHBondContact O-OG 2.92Å; V241-S243 VanDerWaalsContact C-N 3.3Å; V241-S243 PolarHBondContact O-N 3.15Å
244	D	94.4	Very high	94.5	Very high	20 Å²	20	59.7 Å²	59.7	11%	0.107	31%	0.313	C	S	.	.	S	Bend	trans	-67.5	129.9	-179.4	-168.4	-53.1	0	0	0	109.6	K210 H240 V241 L246 V247 Y248	K210-D244 IonicContact NZ-OD2 2.77Å; K210-D244 PolarHBondContact NZ-OD2 3.16Å; H240-D244 PolarHBondContact O-N 3.46Å; V241-D244 PolarHBondContact O-N 2.61Å; D244-L246 PolarHBondContact O-N 2.73Å; D244-L246 VanDerWaalsContact O-N 3.07Å; D244-L246 WeakPolarHBondContact OD1-CB 3.35Å; D244-L246 VanDerWaalsContact OD1-CG 3.32Å; D244-L246 WeakPolarHBondContact OD1-CG 3.26Å; D244-L246 PolarHBondContact OD1-N 3.12Å; D244-V247 PolarHBondContact O-N 2.72Å; D244-Y248 PolarHBondContact O-N 3.38Å
245	P	93.2	Very high	94.6	Very high	85 Å²	85	63.1 Å²	63.1	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-52.6	-30.2	177.6	-28.2	35.2	0	0	0	114.5	V247 L249	P245-V247 PolarHBondContact O-N 3.31Å; P245-L249 HydrophobicContact CB-CD1 4.29Å; P245-L249 VanDerWaalsContact O-CB 3.29Å; P245-L249 WeakPolarHBondContact O-CB 3.34Å; P245-L249 WeakPolarHBondContact O-CD1 3.22Å; P245-L249 VanDerWaalsContact O-CG 3.28Å; P245-L249 WeakPolarHBondContact O-CG 3.17Å; P245-L249 PolarHBondContact O-N 3.3Å
246	L	93.3	Very high	94.6	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.084	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-30.4	176	-64.2	177	0	0	0	112.6	V206 V209 K210 L213 L217 W220 D244	V206-L246 HydrophobicContact CG1-CD1 4.32Å; V209-L246 HydrophobicContact CG1-CD1 4.31Å; V209-L246 HydrophobicContact CG1-CD2 4.38Å; K210-L246 HydrophobicContact CG-CD1 4.26Å; L213-L246 HydrophobicContact CD1-CD2 3.59Å; L217-L246 HydrophobicContact CD1-CD2 3.57Å; W220-L246 VanDerWaalsContact CD1-O 3.29Å; W220-L246 PolarHBondContact NE1-O 3.36Å; D244-L246 PolarHBondContact O-N 2.73Å; D244-L246 VanDerWaalsContact O-N 3.07Å; D244-L246 WeakPolarHBondContact OD1-CB 3.35Å; D244-L246 VanDerWaalsContact OD1-CG 3.32Å; D244-L246 WeakPolarHBondContact OD1-CG 3.26Å; D244-L246 PolarHBondContact OD1-N 3.12Å
247	V	94.4	Very high	94.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-95.5	-51.5	-179.4	176.5	0	0	0	0	110.1	W220 L224 V241 D244 P245 L249 S250 C253 L254 V257	W220-V247 HydrophobicContact CZ2-CG2 3.95Å; L224-V247 HydrophobicContact CD2-CG2 4.08Å; V241-V247 HydrophobicContact CG1-CG2 4.25Å; V241-V247 VanDerWaalsContact O-CB 3.28Å; V241-V247 WeakPolarHBondContact O-CB 3.48Å; V241-V247 WeakPolarHBondContact O-CG2 3.46Å; D244-V247 PolarHBondContact O-N 2.72Å; P245-V247 PolarHBondContact O-N 3.31Å; V247-L249 VanDerWaalsContact C-N 3.28Å; V247-L249 PolarHBondContact O-N 3.03Å; V247-S250 PolarHBondContact O-N 2.98Å; V247-S250 VanDerWaalsContact O-O 3.12Å; V247-C253 HydrophobicContact CB-CB 4.27Å; V247-C253 HydrophobicContact CG1-CB 3.92Å; V247-C253 HydrophobicContact CG2-CB 4.46Å; V247-L254 HydrophobicContact CG1-CD2 4.34Å; V247-V257 HydrophobicContact CG1-CG2 3.79Å
248	Y	92.3	Very high	94.4	Very high	155 Å²	155	58.9 Å²	58.9	61%	0.608	31%	0.311	S	S	*	.	H	α-helix	trans	-58.1	-36.2	-175.7	177.5	-101.3	0	0	0	113.4	D244 S250	D244-Y248 PolarHBondContact O-N 3.38Å; Y248-S250 VanDerWaalsContact C-N 3.32Å
249	L	92.6	Very high	94.3	Very high	133 Å²	133	58.4 Å²	58.4	70%	0.696	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.8	179.5	-63.1	172.6	0	0	0	113.5	P245 V247	P245-L249 HydrophobicContact CB-CD1 4.29Å; P245-L249 VanDerWaalsContact O-CB 3.29Å; P245-L249 WeakPolarHBondContact O-CB 3.34Å; P245-L249 WeakPolarHBondContact O-CD1 3.22Å; P245-L249 VanDerWaalsContact O-CG 3.28Å; P245-L249 WeakPolarHBondContact O-CG 3.17Å; P245-L249 PolarHBondContact O-N 3.3Å; V247-L249 VanDerWaalsContact C-N 3.28Å; V247-L249 PolarHBondContact O-N 3.03Å
250	S	94.8	Very high	94.3	Very high	25 Å²	25	56.4 Å²	56.4	18%	0.175	29%	0.29	C	S	.	.			trans	-110.9	110.6	-174.5	-178.8	0	0	0	0	111.5	V247 Y248 T252 C253 L254	V247-S250 PolarHBondContact O-N 2.98Å; V247-S250 VanDerWaalsContact O-O 3.12Å; Y248-S250 VanDerWaalsContact C-N 3.32Å; S250-T252 PolarHBondContact O-N 3.29Å; S250-C253 VanDerWaalsContact CB-SG 3.59Å; S250-C253 PolarHBondContact O-N 2.64Å; S250-C253 PolarHBondContact OG-SG 2.96Å; S250-C253 VanDerWaalsContact OG-SG 3.34Å; S250-L254 PolarHBondContact O-N 3.05Å
251	P	94.4	Very high	94.2	Very high	99 Å²	99	56 Å²	56	64%	0.643	29%	0.285	S	S	*	.	H	α-helix	trans	-58.2	-34	178.6	-25.8	34.5	0	0	0	113.6	L254 R255	P251-L254 PolarHBondContact O-N 3.15Å; P251-R255 WeakPolarHBondContact O-CG 3.41Å; P251-R255 PolarHBondContact O-N 2.59Å
252	T	95.4	Very high	94	Very high	71 Å²	71	57.5 Å²	57.5	44%	0.436	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-40.7	176.8	-52.5	0	0	0	0	111.4	P221 S250 R255 M256	P221-T252 HydrophobicContact CB-CG2 4.37Å; S250-T252 PolarHBondContact O-N 3.29Å; T252-R255 PolarHBondContact O-N 3.33Å; T252-M256 PolarHBondContact O-N 3.01Å
253	C	95.8	Very high	93.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.3	-42.9	178.1	-60.2	0	0	0	0	111.5	L224 V247 S250 R255 M256 V257	L224-C253 HydrophobicContact CD2-CB 3.55Å; V247-C253 HydrophobicContact CB-CB 4.27Å; V247-C253 HydrophobicContact CG1-CB 3.92Å; V247-C253 HydrophobicContact CG2-CB 4.46Å; S250-C253 VanDerWaalsContact CB-SG 3.59Å; S250-C253 PolarHBondContact O-N 2.64Å; S250-C253 PolarHBondContact OG-SG 2.96Å; S250-C253 VanDerWaalsContact OG-SG 3.34Å; C253-R255 VanDerWaalsContact C-N 3.29Å; C253-R255 PolarHBondContact O-N 3.2Å; C253-M256 HydrophobicContact CB-CE 4.48Å; C253-M256 WeakPolarHBondContact O-CB 3.4Å; C253-M256 PolarHBondContact O-N 3.47Å; C253-M256 VanDerWaalsContact O-N 3.08Å; C253-V257 PolarHBondContact O-N 3.45Å; C253-V257 VanDerWaalsContact O-N 3.08Å
254	L	95.6	Very high	93.7	Very high	47 Å²	47	55.7 Å²	55.7	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-37.5	175.6	-73.8	174.4	0	0	0	112.7	E242 V247 S250 P251 M256 V257 N258	E242-L254 HydrophobicContact CG-CD2 4.45Å; V247-L254 HydrophobicContact CG1-CD2 4.34Å; S250-L254 PolarHBondContact O-N 3.05Å; P251-L254 PolarHBondContact O-N 3.15Å; L254-M256 VanDerWaalsContact C-N 3.31Å; L254-M256 PolarHBondContact O-N 3.4Å; L254-V257 PolarHBondContact O-N 3.38Å; L254-N258 WeakPolarHBondContact O-CB 3.41Å; L254-N258 PolarHBondContact O-N 2.85Å; L254-N258 PolarHBondContact O-ND2 2.93Å
255	R	95	Very high	93.5	Very high	178 Å²	178	56.7 Å²	56.7	67%	0.672	29%	0.287	S	S	*	.	H	α-helix	trans	-58.5	-42.3	173.1	-80.6	179.6	54	-137.7	-10.6	112.4	P251 T252 C253 N258 E259	P251-R255 WeakPolarHBondContact O-CG 3.41Å; P251-R255 PolarHBondContact O-N 2.59Å; T252-R255 PolarHBondContact O-N 3.33Å; C253-R255 VanDerWaalsContact C-N 3.29Å; C253-R255 PolarHBondContact O-N 3.2Å; R255-N258 PolarHBondContact O-N 3.43Å; R255-E259 PolarHBondContact O-N 2.84Å
256	M	94.9	Very high	93.2	Very high	13 Å²	13	53.9 Å²	53.9	6%	0.064	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-35	178.7	-65.5	-174.8	-76.3	0	0	112.2	L224 Q225 L229 T252 C253 L254 A260	L224-M256 HydrophobicContact CB-CE 4Å; L224-M256 HydrophobicContact CD2-CE 3.84Å; L224-M256 HydrophobicContact CG-CE 3.93Å; Q225-M256 VanDerWaalsContact CA-SD 3.56Å; Q225-M256 HydrophobicContact CB-SD 3.74Å; Q225-M256 HydrophobicContact CG-SD 4.2Å; L229-M256 HydrophobicContact CD1-CB 4.12Å; T252-M256 PolarHBondContact O-N 3.01Å; C253-M256 HydrophobicContact CB-CE 4.48Å; C253-M256 WeakPolarHBondContact O-CB 3.4Å; C253-M256 PolarHBondContact O-N 3.47Å; C253-M256 VanDerWaalsContact O-N 3.08Å; L254-M256 VanDerWaalsContact C-N 3.31Å; L254-M256 PolarHBondContact O-N 3.4Å; M256-A260 PolarHBondContact O-N 2.68Å; M256-A260 VanDerWaalsContact O-N 3.15Å
257	V	95.7	Very high	92.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-43.8	172.8	174.7	0	0	0	0	111.2	L229 L237 V241 E242 V247 C253 L254 E259 A260 R261	L229-V257 HydrophobicContact CD1-CG2 4.16Å; L237-V257 HydrophobicContact CD1-CG1 4.31Å; L237-V257 HydrophobicContact CG-CG1 4.4Å; V241-V257 HydrophobicContact CG1-CG2 4.11Å; E242-V257 HydrophobicContact CB-CG1 4.19Å; E242-V257 HydrophobicContact CG-CG1 4.29Å; V247-V257 HydrophobicContact CG1-CG2 3.79Å; C253-V257 PolarHBondContact O-N 3.45Å; C253-V257 VanDerWaalsContact O-N 3.08Å; L254-V257 PolarHBondContact O-N 3.38Å; V257-E259 VanDerWaalsContact C-N 3.34Å; V257-E259 PolarHBondContact O-N 2.95Å; V257-A260 WeakPolarHBondContact O-CB 3.44Å; V257-A260 PolarHBondContact O-N 3.49Å; V257-R261 WeakPolarHBondContact O-CG 3.35Å; V257-R261 PolarHBondContact O-N 2.95Å
258	N	93.3	Very high	92.2	Very high	76 Å²	76	62.3 Å²	62.3	41%	0.406	30%	0.304	S	S	.	.	H	α-helix	trans	-61.8	-41.3	177.1	-75.6	-23.9	0	0	0	112	L254 R255 A260 R261 S262	L254-N258 WeakPolarHBondContact O-CB 3.41Å; L254-N258 PolarHBondContact O-N 2.85Å; L254-N258 PolarHBondContact O-ND2 2.93Å; R255-N258 PolarHBondContact O-N 3.43Å; N258-A260 PolarHBondContact O-N 3.27Å; N258-R261 WeakPolarHBondContact O-CB 3.41Å; N258-R261 PolarHBondContact O-N 3.31Å; N258-R261 VanDerWaalsContact O-N 3.15Å; N258-S262 PolarHBondContact O-N 3.4Å; N258-S262 PolarHBondContact O-OG 3.45Å
259	E	92.8	Very high	91.8	Very high	54 Å²	54	56.9 Å²	56.9	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-43.4	173.8	-178.6	-173.5	157.1	0	0	112.4	R255 V257 R261 S262 F263 C275 R277 M278	R255-E259 PolarHBondContact O-N 2.84Å; V257-E259 VanDerWaalsContact C-N 3.34Å; V257-E259 PolarHBondContact O-N 2.95Å; E259-R261 VanDerWaalsContact C-N 3.29Å; E259-R261 PolarHBondContact O-N 2.7Å; E259-S262 PolarHBondContact O-N 3.44Å; E259-F263 PolarHBondContact O-N 2.89Å; E259-C275 PolarHBondContact OE1-SG 2.97Å; E259-R277 IonicContact OE1-CZ 3.4Å; E259-R277 IonicContact OE1-NH1 3.61Å; E259-R277 IonicContact OE1-NH2 2.8Å; E259-R277 PolarHBondContact OE1-NH2 3.02Å; E259-R277 IonicContact OE2-CZ 3.46Å; E259-R277 VanDerWaalsContact OE2-CZ 3.27Å; E259-R277 IonicContact OE2-NH1 3.56Å; E259-R277 PolarHBondContact OE2-NH1 2.84Å; E259-R277 IonicContact OE2-NH2 3.19Å; E259-R277 PolarHBondContact OE2-NH2 3.25Å; E259-M278 HydrophobicContact CG-CE 3.96Å
260	A	94.3	Very high	91.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-37.3	174.3	0	0	0	0	0	112	L229 P230 L237 M256 V257 N258 F263 Q264	L229-A260 HydrophobicContact CB-CB 3.64Å; P230-A260 HydrophobicContact CG-CB 4.17Å; L237-A260 HydrophobicContact CD2-CB 4.03Å; M256-A260 PolarHBondContact O-N 2.68Å; M256-A260 VanDerWaalsContact O-N 3.15Å; V257-A260 WeakPolarHBondContact O-CB 3.44Å; V257-A260 PolarHBondContact O-N 3.49Å; N258-A260 PolarHBondContact O-N 3.27Å; A260-F263 PolarHBondContact O-N 2.82Å; A260-Q264 WeakPolarHBondContact O-CB 3.45Å; A260-Q264 VanDerWaalsContact O-CG 3.3Å; A260-Q264 WeakPolarHBondContact O-CG 3.36Å; A260-Q264 PolarHBondContact O-N 2.79Å
261	R	92.8	Very high	91.2	Very high	83 Å²	83	52 Å²	52	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-48.3	175.3	-74	171.2	57.6	159.3	-4.9	111.4	L237 L238 E242 V257 N258 E259 F263 Q264 S265	L237-R261 HydrophobicContact CD2-CG 4.17Å; L238-R261 HydrophobicContact CD2-CG 4.36Å; E242-R261 IonicContact OE1-NH1 2.66Å; E242-R261 PolarHBondContact OE1-NH1 3.47Å; E242-R261 IonicContact OE2-NH1 3.73Å; E242-R261 PolarHBondContact OE2-NH1 2.71Å; V257-R261 WeakPolarHBondContact O-CG 3.35Å; V257-R261 PolarHBondContact O-N 2.95Å; N258-R261 WeakPolarHBondContact O-CB 3.41Å; N258-R261 PolarHBondContact O-N 3.31Å; N258-R261 VanDerWaalsContact O-N 3.15Å; E259-R261 VanDerWaalsContact C-N 3.29Å; E259-R261 PolarHBondContact O-N 2.7Å; R261-F263 VanDerWaalsContact C-N 3.3Å; R261-F263 PolarHBondContact O-N 3.06Å; R261-Q264 PolarHBondContact O-N 3.05Å; R261-S265 PolarHBondContact O-N 3.11Å; R261-S265 PolarHBondContact O-OG 3.5Å
262	S	90.8	Very high	90.9	Very high	31 Å²	31	47.5 Å²	47.5	22%	0.217	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-37.5	178.2	-65.2	0	0	0	0	112.4	N258 E259 S265 C266 E267	N258-S262 PolarHBondContact O-N 3.4Å; N258-S262 PolarHBondContact O-OG 3.45Å; E259-S262 PolarHBondContact O-N 3.44Å; S262-S265 WeakPolarHBondContact CA-OG 3.42Å; S262-S265 PolarHBondContact O-OG 3.49Å; S262-C266 PolarHBondContact O-N 2.94Å; S262-C266 VanDerWaalsContact O-N 3.16Å; S262-E267 VanDerWaalsContact CB-OE2 3.23Å; S262-E267 WeakPolarHBondContact CB-OE2 3.41Å; S262-E267 PolarHBondContact O-N 3.47Å; S262-E267 PolarHBondContact OG-OE2 3.33Å
263	F	91.3	Very high	90.4	Very high	35 Å²	35	52.3 Å²	52.3	15%	0.154	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-47.8	172.9	-179	-87.4	0	0	0	111.6	P230 F231 E259 A260 R261 S265 C266 R270 M278 F561	P230-F263 HydrophobicContact CB-CB 4.23Å; P230-F263 HydrophobicContact CB-CD1 3.56Å; P230-F263 HydrophobicContact CB-CE1 3.96Å; P230-F263 HydrophobicContact CB-CG 3.88Å; F231-F263 HydrophobicContact CE1-CE1 4.36Å; F231-F263 HydrophobicContact CE1-CZ 4.41Å; F231-F263 HydrophobicContact CZ-CE1 4.39Å; F231-F263 HydrophobicContact CZ-CZ 4.13Å; E259-F263 PolarHBondContact O-N 2.89Å; A260-F263 PolarHBondContact O-N 2.82Å; R261-F263 VanDerWaalsContact C-N 3.3Å; R261-F263 PolarHBondContact O-N 3.06Å; F263-S265 VanDerWaalsContact C-N 3.31Å; F263-S265 PolarHBondContact O-N 2.92Å; F263-C266 PolarHBondContact O-N 3.42Å; F263-C266 VanDerWaalsContact O-N 3.11Å; F263-R270 HydrophobicContact CD2-CB 4.33Å; F263-R270 HydrophobicContact CE2-CB 3.83Å; F263-M278 HydrophobicContact CD2-CB 4.34Å; F263-M278 HydrophobicContact CD2-CE 4.39Å; F263-M278 HydrophobicContact CD2-CG 3.76Å; F263-M278 HydrophobicContact CD2-SD 3.95Å; F263-M278 HydrophobicContact CE2-CB 3.96Å; F263-M278 HydrophobicContact CE2-CG 3.89Å; F263-M278 HydrophobicContact CE2-SD 4.29Å; F263-F561 HydrophobicContact CE1-CE2 4.45Å; F263-F561 AromaticContact CZ-CE2 3.74Å; F263-F561 HydrophobicContact CZ-CE2 3.74Å; F263-F561 AromaticContact CZ-CZ 3.93Å; F263-F561 HydrophobicContact CZ-CZ 3.93Å
264	Q	91.4	Very high	89.8	Confident	49 Å²	49	54.3 Å²	54.3	23%	0.229	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-26.8	-179.5	-72.3	179.7	2.1	0	0	114.1	P230 V232 A260 R261	P230-Q264 WeakPolarHBondContact O-CG 3.21Å; P230-Q264 PolarHBondContact O-NE2 2.91Å; V232-Q264 PolarHBondContact O-NE2 2.9Å; A260-Q264 WeakPolarHBondContact O-CB 3.45Å; A260-Q264 VanDerWaalsContact O-CG 3.3Å; A260-Q264 WeakPolarHBondContact O-CG 3.36Å; A260-Q264 PolarHBondContact O-N 2.79Å; R261-Q264 PolarHBondContact O-N 3.05Å
265	S	89	Confident	89.3	Confident	41 Å²	41	53.6 Å²	53.6	29%	0.287	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.6	173.5	52.9	0	0	0	0	113.3	R261 S262 F263 E267	R261-S265 PolarHBondContact O-N 3.11Å; R261-S265 PolarHBondContact O-OG 3.5Å; S262-S265 WeakPolarHBondContact CA-OG 3.42Å; S262-S265 PolarHBondContact O-OG 3.49Å; F263-S265 VanDerWaalsContact C-N 3.31Å; F263-S265 PolarHBondContact O-N 2.92Å; S265-E267 PolarHBondContact O-N 3.22Å; S265-E267 VanDerWaalsContact OG-CD 3.25Å; S265-E267 VanDerWaalsContact OG-CG 3.32Å; S265-E267 WeakPolarHBondContact OG-CG 3.36Å; S265-E267 PolarHBondContact OG-OE1 2.87Å
266	C	88	Confident	88.9	Confident	26 Å²	26	49 Å²	49	18%	0.176	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.9	-177.1	-51.2	0	0	0	0	113.1	S262 F263 Y268 L335 G336 K383 G384	S262-C266 PolarHBondContact O-N 2.94Å; S262-C266 VanDerWaalsContact O-N 3.16Å; F263-C266 PolarHBondContact O-N 3.42Å; F263-C266 VanDerWaalsContact O-N 3.11Å; C266-Y268 PolarHBondContact O-N 2.97Å; C266-L335 HydrophobicContact CB-CD1 4.44Å; C266-G336 WeakPolarHBondContact SG-CA 3.32Å; C266-K383 CarbonylContact O-C 3.58Å; C266-G384 WeakPolarHBondContact O-CA 3.09Å; C266-G384 PolarHBondContact O-N 2.8Å
267	E	85.4	Confident	88.7	Confident	76 Å²	76	49.3 Å²	49.3	36%	0.355	23%	0.234	S	C	.	.			trans	-60.2	-27.6	-179.2	-86.7	164.7	-148.6	0	0	113.2	S262 S265 K383	S262-E267 VanDerWaalsContact CB-OE2 3.23Å; S262-E267 WeakPolarHBondContact CB-OE2 3.41Å; S262-E267 PolarHBondContact O-N 3.47Å; S262-E267 PolarHBondContact OG-OE2 3.33Å; S265-E267 PolarHBondContact O-N 3.22Å; S265-E267 VanDerWaalsContact OG-CD 3.25Å; S265-E267 VanDerWaalsContact OG-CG 3.32Å; S265-E267 WeakPolarHBondContact OG-CG 3.36Å; S265-E267 PolarHBondContact OG-OE1 2.87Å; E267-K383 VanDerWaalsContact O-CA 3.28Å; E267-K383 WeakPolarHBondContact O-CA 3.49Å; E267-K383 PolarHBondContact O-N 2.85Å
268	Y	80.9	Confident	88.4	Confident	117 Å²	117	50.7 Å²	50.7	46%	0.459	24%	0.24	S	C	.	.	S	Bend	trans	-134	161.4	176.2	-56	-80.7	0	0	0	109.4	C266 R270	C266-Y268 PolarHBondContact O-N 2.97Å; Y268-R270 PolarHBondContact O-N 2.93Å
269	D	83.7	Confident	88.2	Confident	40 Å²	40	53 Å²	53	21%	0.214	24%	0.243	C	C	.	.			trans	-60.4	130.5	168	-167.7	-63.5	0	0	0	108.5	H271 D272	D269-H271 PolarHBondContact O-N 3.38Å; D269-H271 WeakPolarHBondContact OD1-CA 3.23Å; D269-H271 VanDerWaalsContact OD1-CB 3.24Å; D269-H271 WeakPolarHBondContact OD1-CB 3.32Å; D269-H271 IonicContact OD1-CG 3.02Å; D269-H271 PolarHBondContact OD1-N 3.11Å; D269-H271 IonicContact OD1-ND1 2.9Å; D269-H271 PolarHBondContact OD1-ND1 3.28Å; D269-D272 WeakPolarHBondContact O-CB 3.38Å; D269-D272 PolarHBondContact O-N 3.16Å
270	R	86	Confident	88.1	Confident	40 Å²	40	50.9 Å²	50.9	15%	0.151	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.9	-178.9	67.4	-179.3	118.8	153.8	-1.2	113.1	F263 Y268 E288 G336 S559	F263-R270 HydrophobicContact CD2-CB 4.33Å; F263-R270 HydrophobicContact CE2-CB 3.83Å; Y268-R270 PolarHBondContact O-N 2.93Å; R270-E288 IonicContact CZ-OE1 3.4Å; R270-E288 IonicContact NH1-OE1 3.79Å; R270-E288 PolarHBondContact NH1-OE1 3.4Å; R270-G336 PolarHBondContact NH2-O 3.37Å; R270-S559 PolarHBondContact NH2-O 3.28Å
271	H	89.8	Confident	88	Confident	16 Å²	16	51 Å²	51	7%	0.074	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.7	178.5	-48.5	100.9	0	0	0	113.2	D269 R273 P274 E288 T469 L470 N471 V511 S559	D269-H271 PolarHBondContact O-N 3.38Å; D269-H271 WeakPolarHBondContact OD1-CA 3.23Å; D269-H271 VanDerWaalsContact OD1-CB 3.24Å; D269-H271 WeakPolarHBondContact OD1-CB 3.32Å; D269-H271 IonicContact OD1-CG 3.02Å; D269-H271 PolarHBondContact OD1-N 3.11Å; D269-H271 IonicContact OD1-ND1 2.9Å; D269-H271 PolarHBondContact OD1-ND1 3.28Å; H271-R273 VanDerWaalsContact C-N 3.34Å; H271-R273 PolarHBondContact O-N 2.96Å; H271-P274 WeakPolarHBondContact O-CD 3.26Å; H271-E288 IonicContact NE2-OE1 3.47Å; H271-T469 VanDerWaalsContact CB-O 3.24Å; H271-T469 WeakPolarHBondContact CB-O 3.4Å; H271-L470 CarbonylContact O-C 3.58Å; H271-L470 WeakPolarHBondContact O-CA 3.35Å; H271-N471 PolarHBondContact O-N 2.99Å; H271-V511 HydrophobicContact CB-CB 4.33Å; H271-V511 HydrophobicContact CB-CG1 3.95Å; H271-V511 WeakPolarHBondContact CD2-CG1 3.37Å; H271-V511 PolarHBondContact NE2-O 2.92Å; H271-S559 PolarHBondContact CE1-OG 2.97Å; H271-S559 PolarHBondContact NE2-OG 3.42Å
272	D	86.8	Confident	87.8	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.027	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-43.4	174	-99.5	-32.7	0	0	0	111.1	D269 C422 N423 T469 N471 G472	D269-D272 WeakPolarHBondContact O-CB 3.38Å; D269-D272 PolarHBondContact O-N 3.16Å; D272-C422 WeakPolarHBondContact OD1-CA 3.45Å; D272-N423 PolarHBondContact OD1-N 3.01Å; D272-N423 PolarHBondContact OD2-N 2.89Å; D272-T469 WeakPolarHBondContact OD1-CG2 3.44Å; D272-N471 CarbonylContact O-C 3.55Å; D272-N471 WeakPolarHBondContact O-CA 3.43Å; D272-G472 WeakPolarHBondContact O-CA 3.36Å; D272-G472 PolarHBondContact O-N 3.18Å
273	R	84.6	Confident	87.8	Confident	171 Å²	171	49.8 Å²	49.8	65%	0.645	24%	0.237	S	C	*	.	S	Bend	trans	-140.7	66.4	-174.7	-62.8	-178	-174.8	178.6	1.8	110.8	H271 C275	H271-R273 VanDerWaalsContact C-N 3.34Å; H271-R273 PolarHBondContact O-N 2.96Å; R273-C275 PolarHBondContact O-N 2.59Å
274	P	84.1	Confident	87.8	Confident	42 Å²	42	49.1 Å²	49.1	27%	0.273	24%	0.236	S	C	.	.			trans	-64.4	134.8	-177.3	28.7	-33.6	0	0	0	109.5	H271 L470 N471	H271-P274 WeakPolarHBondContact O-CD 3.26Å; P274-L470 HydrophobicContact CG-CD1 4.42Å; P274-N471 VanDerWaalsContact CD-OD1 3.28Å; P274-N471 WeakPolarHBondContact CD-OD1 3.2Å; P274-N471 WeakPolarHBondContact CG-OD1 3.26Å
275	C	85.5	Confident	87.6	Confident	33 Å²	33	47.2 Å²	47.2	22%	0.223	23%	0.23	C	C	.	.			trans	-133.4	164	172.9	79.2	0	0	0	0	109.7	E259 R273 R277 M278	E259-C275 PolarHBondContact OE1-SG 2.97Å; R273-C275 PolarHBondContact O-N 2.59Å; C275-R277 PolarHBondContact O-N 2.63Å; C275-M278 PolarHBondContact O-N 3.27Å
276	H	85.9	Confident	87.7	Confident	82 Å²	82	46.8 Å²	46.8	38%	0.38	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-60.4	-31.7	-177.7	74	-60.6	0	0	0	112.6	Q225 Q226 M278 R279	Q225-H276 PolarHBondContact O-CE1 2.94Å; Q225-H276 PolarHBondContact O-NE2 2.87Å; Q225-H276 VanDerWaalsContact O-NE2 3.15Å; Q226-H276 PolarHBondContact OE1-NE2 3.05Å; H276-M278 PolarHBondContact O-N 3.33Å; H276-R279 PolarHBondContact O-N 2.97Å
277	R	90.7	Very high	87.8	Confident	19 Å²	19	45.6 Å²	45.6	7%	0.072	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-68	-18.7	175.2	-74	-177.3	-74.6	130.5	5	114.2	Q225 V227 P230 F231 E259 C275 R279	Q225-R277 VanDerWaalsContact O-CD 3.26Å; Q225-R277 WeakPolarHBondContact O-CD 3.31Å; Q225-R277 WeakPolarHBondContact O-CG 3.36Å; V227-R277 VanDerWaalsContact O-CD 3.26Å; V227-R277 WeakPolarHBondContact O-CD 3.31Å; V227-R277 WeakPolarHBondContact O-CG 3.41Å; P230-R277 HydrophobicContact CG-CB 4.4Å; P230-R277 WeakPolarHBondContact CG-O 3.39Å; F231-R277 WeakPolarHBondContact CE2-O 3.28Å; E259-R277 IonicContact OE1-CZ 3.4Å; E259-R277 IonicContact OE1-NH1 3.61Å; E259-R277 IonicContact OE1-NH2 2.8Å; E259-R277 PolarHBondContact OE1-NH2 3.02Å; E259-R277 IonicContact OE2-CZ 3.46Å; E259-R277 VanDerWaalsContact OE2-CZ 3.27Å; E259-R277 IonicContact OE2-NH1 3.56Å; E259-R277 PolarHBondContact OE2-NH1 2.84Å; E259-R277 IonicContact OE2-NH2 3.19Å; E259-R277 PolarHBondContact OE2-NH2 3.25Å; C275-R277 PolarHBondContact O-N 2.63Å; R277-R279 VanDerWaalsContact C-N 3.27Å
278	M	89.4	Confident	88.2	Confident	28 Å²	28	43.1 Å²	43.1	14%	0.138	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-89.2	11.3	176.9	-66.8	175.3	-171.6	0	0	112.7	P230 F231 E259 F263 C275 H276	P230-M278 HydrophobicContact CG-CG 4.31Å; F231-M278 VanDerWaalsContact CE2-C 3.4Å; F231-M278 WeakPolarHBondContact CZ-O 3.42Å; E259-M278 HydrophobicContact CG-CE 3.96Å; F263-M278 HydrophobicContact CD2-CB 4.34Å; F263-M278 HydrophobicContact CD2-CE 4.39Å; F263-M278 HydrophobicContact CD2-CG 3.76Å; F263-M278 HydrophobicContact CD2-SD 3.95Å; F263-M278 HydrophobicContact CE2-CB 3.96Å; F263-M278 HydrophobicContact CE2-CG 3.89Å; F263-M278 HydrophobicContact CE2-SD 4.29Å; C275-M278 PolarHBondContact O-N 3.27Å; H276-M278 PolarHBondContact O-N 3.33Å
279	R	89.6	Confident	88.8	Confident	125 Å²	125	37.5 Å²	37.5	47%	0.472	18%	0.183	S	C	.	.	S	Bend	trans	-110.9	126.1	171.2	-62.4	-179.1	-179.9	-165.2	-4	110.5	R228 H276 R277 G513	R228-R279 WeakPolarHBondContact CD-O 3.45Å; R228-R279 PolarHBondContact NH1-O 3.21Å; H276-R279 PolarHBondContact O-N 2.97Å; R277-R279 VanDerWaalsContact C-N 3.27Å; R279-G513 PolarHBondContact NH2-O 3.26Å
280	P	91.2	Very high	89.4	Confident	10 Å²	10	35.7 Å²	35.7	7%	0.065	17%	0.173	C	C	.	.			trans	-66.9	152.7	-179.2	29.3	-35.2	0	0	0	111.3	R228 F231 L286 F561	R228-P280 PolarHBondContact NH1-O 3.22Å; F231-P280 HydrophobicContact CD1-CB 4.12Å; F231-P280 HydrophobicContact CD2-CB 4.43Å; F231-P280 HydrophobicContact CE1-CB 3.93Å; F231-P280 HydrophobicContact CE1-CG 4.31Å; F231-P280 HydrophobicContact CE2-CB 4.27Å; F231-P280 HydrophobicContact CG-CB 4.36Å; F231-P280 HydrophobicContact CZ-CB 4.02Å; F231-P280 VanDerWaalsContact CZ-CD 3.49Å; F231-P280 HydrophobicContact CZ-CG 4.25Å; P280-L286 HydrophobicContact CB-CB 3.94Å; P280-L286 HydrophobicContact CB-CD2 3.89Å; P280-L286 HydrophobicContact CB-CG 3.93Å; P280-L286 WeakPolarHBondContact CB-O 3.44Å; P280-L286 HydrophobicContact CG-CG 4.28Å; P280-L286 WeakPolarHBondContact CG-O 3.4Å; P280-F561 HydrophobicContact CG-CD1 4.1Å; P280-F561 HydrophobicContact CG-CE1 4.16Å
281	R	90.9	Very high	90	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.011	17%	0.166	C	C	.	.			trans	-70.7	127.3	172.1	-78.1	-173.6	-149.9	-87.9	-0.2	109.2	V188 D190 E198 Q226 R228 S283 T284	V188-R281 PolarHBondContact O-NH1 3.22Å; V188-R281 PolarHBondContact O-NH2 2.84Å; D190-R281 PolarHBondContact O-NH1 2.86Å; D190-R281 VanDerWaalsContact O-NH1 3.14Å; E198-R281 IonicContact OE1-CZ 2.67Å; E198-R281 IonicContact OE1-NE 2.69Å; E198-R281 PolarHBondContact OE1-NE 3.43Å; E198-R281 IonicContact OE1-NH2 3.5Å; E198-R281 PolarHBondContact OE1-NH2 3.43Å; E198-R281 VanDerWaalsContact OE2-CD 3.31Å; E198-R281 WeakPolarHBondContact OE2-CD 3.5Å; E198-R281 IonicContact OE2-CZ 3.25Å; E198-R281 IonicContact OE2-NE 2.77Å; E198-R281 PolarHBondContact OE2-NE 2.93Å; E198-R281 IonicContact OE2-NH2 3.58Å; Q226-R281 PolarHBondContact O-NH2 3.27Å; R228-R281 VanDerWaalsContact NH1-CA 3.33Å; R281-S283 PolarHBondContact O-N 3.33Å; R281-S283 VanDerWaalsContact O-N 3.11Å; R281-T284 HydrophobicContact CB-CG2 4.11Å; R281-T284 PolarHBondContact O-N 2.99Å; R281-T284 VanDerWaalsContact O-N 3.1Å; R281-T284 PolarHBondContact O-OG1 3.17Å
282	P	89.5	Confident	90.3	Very high	56 Å²	56	33.4 Å²	33.4	36%	0.364	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-51.4	-35.9	176.7	-27.9	33	0	0	0	113.9	D191 T284 G285	D191-P282 WeakPolarHBondContact O-CD 3.33Å; P282-T284 VanDerWaalsContact C-N 3.28Å; P282-T284 PolarHBondContact O-N 2.83Å; P282-G285 PolarHBondContact O-N 3.42Å
283	S	90.7	Very high	90.7	Very high	31 Å²	31	33.1 Å²	33.1	22%	0.217	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-65	-25.3	-178.2	58.1	0	0	0	0	115	L193 V195 R281 G285	L193-S283 VanDerWaalsContact O-CB 3.28Å; L193-S283 WeakPolarHBondContact O-CB 3.49Å; L193-S283 PolarHBondContact O-OG 2.77Å; V195-S283 PolarHBondContact N-OG 3.5Å; V195-S283 CarbonylContact O-C 3.55Å; V195-S283 PolarHBondContact O-OG 3.15Å; R281-S283 PolarHBondContact O-N 3.33Å; R281-S283 VanDerWaalsContact O-N 3.11Å; S283-G285 PolarHBondContact O-N 2.81Å
284	T	90	Very high	91.2	Very high	22 Å²	22	25 Å²	25	14%	0.135	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-73.7	-10	176.2	67.2	0	0	0	0	111.7	V195 R281 P282 L286 Q563	V195-T284 HydrophobicContact CG2-CG2 4.25Å; R281-T284 HydrophobicContact CB-CG2 4.11Å; R281-T284 PolarHBondContact O-N 2.99Å; R281-T284 VanDerWaalsContact O-N 3.1Å; R281-T284 PolarHBondContact O-OG1 3.17Å; P282-T284 VanDerWaalsContact C-N 3.28Å; P282-T284 PolarHBondContact O-N 2.83Å; T284-L286 PolarHBondContact O-N 3.33Å; T284-L286 PolarHBondContact OG1-N 3.44Å; T284-Q563 PolarHBondContact O-NE2 2.66Å
285	G	88.2	Confident	91.6	Very high	9 Å²	9	23.2 Å²	23.2	9%	0.093	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-0.2	-175	0	0	0	0	0	113.9	P282 S283 Q563 F564	P282-G285 PolarHBondContact O-N 3.42Å; S283-G285 PolarHBondContact O-N 2.81Å; G285-Q563 VanDerWaalsContact C-NE2 3.26Å; G285-Q563 PolarHBondContact O-NE2 2.79Å; G285-F564 PolarHBondContact O-N 2.82Å
286	L	90.4	Very high	92	Very high	32 Å²	32	22.8 Å²	22.8	17%	0.168	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.9	174.4	-171.5	65.7	0	0	0	109.4	F231 P280 T284 F561 Q563	F231-L286 HydrophobicContact CD1-CD2 3.51Å; F231-L286 HydrophobicContact CE1-CD2 3.92Å; F231-L286 HydrophobicContact CG-CD2 4.46Å; P280-L286 HydrophobicContact CB-CB 3.94Å; P280-L286 HydrophobicContact CB-CD2 3.89Å; P280-L286 HydrophobicContact CB-CG 3.93Å; P280-L286 WeakPolarHBondContact CB-O 3.44Å; P280-L286 HydrophobicContact CG-CG 4.28Å; P280-L286 WeakPolarHBondContact CG-O 3.4Å; T284-L286 PolarHBondContact O-N 3.33Å; T284-L286 PolarHBondContact OG1-N 3.44Å; L286-F561 HydrophobicContact CD1-CB 3.89Å; L286-F561 HydrophobicContact CG-CB 4.29Å; L286-Q563 HydrophobicContact CD1-CB 4.48Å
287	A	91	Very high	92.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.5	175.5	0	0	0	0	0	110.5	F561 R562 F564	A287-F561 CarbonylContact O-C 3.6Å; A287-F561 WeakPolarHBondContact O-CA 3.48Å; A287-R562 PolarHBondContact N-O 2.89Å; A287-R562 PolarHBondContact O-N 3.37Å; A287-F564 HydrophobicContact CB-CD2 4.1Å; A287-F564 HydrophobicContact CB-CE2 4.04Å
288	E	93.3	Very high	92.2	Very high	23 Å²	23	24.6 Å²	24.6	11%	0.107	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.9	164	-161.3	174.1	-139.4	0	0	108.5	R270 H271 P311 L512 G513 I560 F561	R270-E288 IonicContact CZ-OE1 3.4Å; R270-E288 IonicContact NH1-OE1 3.79Å; R270-E288 PolarHBondContact NH1-OE1 3.4Å; H271-E288 IonicContact NE2-OE1 3.47Å; E288-P311 VanDerWaalsContact O-CD 3.3Å; E288-P311 WeakPolarHBondContact O-CD 3.33Å; E288-L512 HydrophobicContact CB-CD1 3.88Å; E288-L512 HydrophobicContact CG-CD1 3.58Å; E288-G513 PolarHBondContact OE2-N 2.62Å; E288-I560 WeakPolarHBondContact CA-O 3.28Å; E288-F561 HydrophobicContact CB-CD1 3.8Å; E288-F561 HydrophobicContact CB-CE1 3.67Å; E288-F561 HydrophobicContact CG-CD1 4.11Å; E288-F561 HydrophobicContact CG-CE1 3.86Å; E288-F561 HydrophobicContact CG-CZ 4.37Å
289	I	94.3	Very high	92.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.3	-176.4	57.6	171.3	0	0	0	110.1	V291 C308 Y309 N310 S559 I560 R562 F564	I289-V291 HydrophobicContact CD1-CG2 3.99Å; I289-V291 HydrophobicContact CG1-CG2 4.16Å; I289-C308 HydrophobicContact CD1-CB 3.83Å; I289-Y309 WeakPolarHBondContact CA-O 3.47Å; I289-Y309 WeakPolarHBondContact CB-O 3.28Å; I289-N310 HydrophobicContact CG2-CB 4.15Å; I289-S559 WeakPolarHBondContact O-CA 3.4Å; I289-I560 HydrophobicContact CD1-CD1 4.28Å; I289-I560 HydrophobicContact CD1-CG1 4.04Å; I289-I560 HydrophobicContact CG1-CG1 3.81Å; I289-I560 WeakPolarHBondContact CG1-O 3.11Å; I289-I560 PolarHBondContact N-O 3.01Å; I289-I560 PolarHBondContact O-N 3.11Å; I289-I560 VanDerWaalsContact O-N 3.08Å; I289-R562 HydrophobicContact CD1-CB 3.49Å; I289-R562 VanDerWaalsContact CD1-CB 3.49Å; I289-R562 HydrophobicContact CD1-CG 4.22Å; I289-R562 HydrophobicContact CG1-CB 4.12Å; I289-F564 HydrophobicContact CD1-CZ 4.38Å; I289-F564 HydrophobicContact CG2-CE2 3.61Å; I289-F564 HydrophobicContact CG2-CZ 3.73Å
290	L	96.4	Very high	92.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.1	165.4	174.8	69.6	0	0	0	107.8	V292 C308 Y309 W316 A510 L512 F517	L290-V292 HydrophobicContact CG-CG2 4.5Å; L290-C308 CarbonylContact O-C 3.47Å; L290-C308 WeakPolarHBondContact O-CA 3.39Å; L290-C308 WeakPolarHBondContact O-CB 3.17Å; L290-Y309 PolarHBondContact N-O 3.31Å; L290-Y309 PolarHBondContact O-N 3.04Å; L290-W316 HydrophobicContact CD2-CH2 4.32Å; L290-A510 HydrophobicContact CD1-CB 3.59Å; L290-L512 HydrophobicContact CB-CD2 3.8Å; L290-F517 HydrophobicContact CD2-CD1 4.45Å
291	V	97.1	Very high	92.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.6	172.6	-173.1	0	0	0	0	108.7	I289 V293 V306 D307 C308 L319 M339 S557 V558 I560	I289-V291 HydrophobicContact CD1-CG2 3.99Å; I289-V291 HydrophobicContact CG1-CG2 4.16Å; V291-V293 HydrophobicContact CG1-CG2 4.23Å; V291-V306 HydrophobicContact CG1-CG1 3.6Å; V291-D307 CarbonylContact C-O 3.55Å; V291-D307 WeakPolarHBondContact CA-O 3.46Å; V291-C308 HydrophobicContact CG2-CB 4.01Å; V291-L319 HydrophobicContact CG1-CD1 3.89Å; V291-L319 HydrophobicContact CG2-CD1 4.05Å; V291-M339 HydrophobicContact CB-CE 3.93Å; V291-M339 HydrophobicContact CB-SD 3.73Å; V291-M339 HydrophobicContact CG1-CE 3.57Å; V291-M339 HydrophobicContact CG1-SD 3.69Å; V291-M339 HydrophobicContact CG2-SD 3.85Å; V291-S557 VanDerWaalsContact O-CA 3.31Å; V291-S557 WeakPolarHBondContact O-CA 2.87Å; V291-V558 PolarHBondContact N-O 2.97Å; V291-V558 PolarHBondContact O-N 2.96Å; V291-I560 HydrophobicContact CG2-CD1 3.87Å; V291-I560 HydrophobicContact CG2-CG1 3.7Å
292	V	96.6	Very high	92	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.6	176.4	172.6	0	0	0	0	107.7	L290 V306 D307 W316 L548 H555 G556	L290-V292 HydrophobicContact CG-CG2 4.5Å; V292-V306 WeakPolarHBondContact O-CA 3.4Å; V292-D307 PolarHBondContact N-O 3.34Å; V292-D307 PolarHBondContact O-N 3.16Å; V292-W316 HydrophobicContact CB-CZ3 4.5Å; V292-W316 HydrophobicContact CG2-CH2 3.94Å; V292-W316 HydrophobicContact CG2-CZ3 4.04Å; V292-L548 HydrophobicContact CG2-CD2 3.96Å; V292-H555 HydrophobicContact CG1-CB 4Å; V292-H555 VanDerWaalsContact CG1-CD2 3.45Å; V292-H555 WeakPolarHBondContact CG1-CD2 3.21Å; V292-G556 CarbonylContact C-O 3.58Å; V292-G556 WeakPolarHBondContact CA-O 3.38Å
293	V	96.1	Very high	92.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.7	-178	-177.9	0	0	0	0	108.6	V291 V306 L326 Y330 I332 M339 V341 H555 G556	V291-V293 HydrophobicContact CG1-CG2 4.23Å; V293-V306 HydrophobicContact CG1-CG2 4.34Å; V293-V306 HydrophobicContact CG2-CG1 4.14Å; V293-L326 HydrophobicContact CG1-CD1 3.98Å; V293-L326 HydrophobicContact CG1-CD2 4.38Å; V293-Y330 PolarHBondContact O-OH 3.35Å; V293-I332 HydrophobicContact CG2-CD1 4.35Å; V293-M339 HydrophobicContact CG2-CE 3.37Å; V293-V341 HydrophobicContact CG1-CG2 4.29Å; V293-H555 WeakPolarHBondContact O-CB 3.46Å; V293-G556 PolarHBondContact N-O 3.06Å; V293-G556 PolarHBondContact O-N 2.75Å
294	G	94	Very high	92.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	18%	0.177	C	C	.	.			trans	56.2	-140	168.3	0	0	0	0	0	115.9	L303 T305 T552 H555	G294-L303 WeakPolarHBondContact CA-O 3.3Å; G294-T305 PolarHBondContact N-O 3.48Å; G294-T552 WeakPolarHBondContact O-CG2 3.34Å; G294-H555 VanDerWaalsContact O-CB 3.24Å; G294-H555 WeakPolarHBondContact O-CB 3.49Å
295	G	93.1	Very high	92.3	Very high	4 Å²	4	32 Å²	32	4%	0.041	18%	0.177	C	C	.	.			trans	99.4	-163.1	-173.9	0	0	0	0	0	112.2	L303 Y330 F553	G295-L303 WeakPolarHBondContact O-CB 3.27Å; G295-L303 PolarHBondContact O-N 3.21Å; G295-Y330 PolarHBondContact N-OH 3.22Å; G295-F553 CarbonylContact C-O 3.4Å; G295-F553 VanDerWaalsContact CA-O 3.26Å; G295-F553 WeakPolarHBondContact CA-O 3.29Å
296	C	92.8	Very high	92.7	Very high	24 Å²	24	31.6 Å²	31.6	16%	0.162	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-121.1	146.2	177.7	-69.4	0	0	0	0	110.4	D301 T552 F553	C296-D301 VanDerWaalsContact CA-O 3.31Å; C296-D301 WeakPolarHBondContact CA-O 3.27Å; C296-T552 VanDerWaalsContact O-CA 3.25Å; C296-T552 WeakPolarHBondContact O-CA 3.45Å; C296-T552 WeakPolarHBondContact O-CG2 3.32Å; C296-F553 HydrophobicContact CB-CD1 3.87Å; C296-F553 HydrophobicContact CB-CE1 3.33Å; C296-F553 HydrophobicContact CB-CE2 4.16Å; C296-F553 HydrophobicContact CB-CG 4.49Å; C296-F553 HydrophobicContact CB-CZ 3.5Å; C296-F553 VanDerWaalsContact CB-CZ 3.5Å; C296-F553 PolarHBondContact N-O 3.43Å; C296-F553 VanDerWaalsContact O-CD1 3.32Å; C296-F553 WeakPolarHBondContact O-CD1 3.31Å; C296-F553 PolarHBondContact O-N 3.26Å
297	D	92	Very high	92.9	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.064	17%	0.167	C	C	.	.			trans	-91.3	-167.9	174.1	74.3	8.5	0	0	0	113.6	D299 C300 D301 L303 Q550 F553	D297-D299 PolarHBondContact O-N 3.38Å; D297-D299 PolarHBondContact OD1-N 3.29Å; D297-C300 PolarHBondContact O-N 3.37Å; D297-C300 VanDerWaalsContact O-N 3.11Å; D297-C300 PolarHBondContact OD1-N 3.35Å; D297-D301 PolarHBondContact N-O 2.8Å; D297-D301 VanDerWaalsContact N-O 3.11Å; D297-D301 PolarHBondContact OD1-N 3.05Å; D297-L303 HydrophobicContact CB-CD1 4.23Å; D297-L303 HydrophobicContact CB-CD2 4.26Å; D297-L303 HydrophobicContact CB-CG 4.41Å; D297-Q550 PolarHBondContact OD2-NE2 3.39Å; D297-Q550 VanDerWaalsContact OD2-NE2 3.16Å; D297-F553 WeakPolarHBondContact O-CE1 3.38Å
298	Q	89.9	Confident	93.1	Very high	126 Å²	126	30.5 Å²	30.5	59%	0.589	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.9	-177.7	-174.1	169.4	13.7	0	0	113.5	L528	Q298-L528 HydrophobicContact CB-CD2 4.04Å
299	D	90.6	Very high	93.1	Very high	125 Å²	125	30.4 Å²	30.4	67%	0.668	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	4.9	179.3	-63.5	-43.8	0	0	0	111.5	D297 D301	D297-D299 PolarHBondContact O-N 3.38Å; D297-D299 PolarHBondContact OD1-N 3.29Å; D299-D301 PolarHBondContact O-N 3.36Å
300	C	87.3	Confident	93	Very high	79 Å²	79	30.8 Å²	30.8	53%	0.534	17%	0.167	S	C	.	.			trans	63.9	20.9	-172.7	-58.7	0	0	0	0	113.5	D297	D297-C300 PolarHBondContact O-N 3.37Å; D297-C300 VanDerWaalsContact O-N 3.11Å; D297-C300 PolarHBondContact OD1-N 3.35Å
301	D	89.4	Confident	92.6	Very high	90 Å²	90	33.3 Å²	33.3	48%	0.481	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-76.3	137.5	174.2	-76.9	-22.3	0	0	0	110	C296 D297 D299	C296-D301 VanDerWaalsContact CA-O 3.31Å; C296-D301 WeakPolarHBondContact CA-O 3.27Å; D297-D301 PolarHBondContact N-O 2.8Å; D297-D301 VanDerWaalsContact N-O 3.11Å; D297-D301 PolarHBondContact OD1-N 3.05Å; D299-D301 PolarHBondContact O-N 3.36Å
302	E	89.5	Confident	91.9	Very high	72 Å²	72	38.1 Å²	38.1	34%	0.336	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-69.9	131	179	-170.2	-169.1	152.1	0	0	111.2	L326 G327	E302-L326 WeakPolarHBondContact OE1-CA 3.11Å; E302-L326 PolarHBondContact OE1-N 3.41Å; E302-G327 VanDerWaalsContact CD-N 3.35Å; E302-G327 PolarHBondContact OE1-N 2.84Å
303	L	91.4	Very high	91.4	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-100.8	134.2	177.4	-58.6	176.6	0	0	0	110.3	G294 G295 D297 L326 T552	G294-L303 WeakPolarHBondContact CA-O 3.3Å; G295-L303 WeakPolarHBondContact O-CB 3.27Å; G295-L303 PolarHBondContact O-N 3.21Å; D297-L303 HydrophobicContact CB-CD1 4.23Å; D297-L303 HydrophobicContact CB-CD2 4.26Å; D297-L303 HydrophobicContact CB-CG 4.41Å; L303-L326 WeakPolarHBondContact O-CD1 3.35Å; L303-T552 HydrophobicContact CD1-CG2 3.81Å; L303-T552 WeakPolarHBondContact CD1-OG1 3.49Å
304	V	92.2	Very high	91	Very high	40 Å²	40	42.6 Å²	42.6	24%	0.242	24%	0.242	C	C	.	.			trans	-104.5	9	167.8	-63.2	0	0	0	0	112.2	F322 D324	V304-F322 HydrophobicContact CB-CB 4.22Å; V304-F322 PolarHBondContact O-N 3.37Å; V304-D324 WeakPolarHBondContact CG1-O 3.37Å
305	T	93.2	Very high	90.8	Very high	19 Å²	19	45.4 Å²	45.4	12%	0.117	26%	0.255	C	S	.	.			trans	-69.9	142.9	-176.3	52.6	0	0	0	0	111.3	G294 Y318	G294-T305 PolarHBondContact N-O 3.48Å; T305-Y318 HydrophobicContact CG2-CE2 4.15Å
306	V	95.6	Very high	90.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	106.6	176.1	-172.9	0	0	0	0	108.6	V291 V292 V293 L319 A320 W364	V291-V306 HydrophobicContact CG1-CG1 3.6Å; V292-V306 WeakPolarHBondContact O-CA 3.4Å; V293-V306 HydrophobicContact CG1-CG2 4.34Å; V293-V306 HydrophobicContact CG2-CG1 4.14Å; V306-L319 HydrophobicContact CB-CB 4.17Å; V306-L319 HydrophobicContact CG1-CB 3.86Å; V306-L319 HydrophobicContact CG1-CD1 4.08Å; V306-L319 HydrophobicContact CG1-CG 4.42Å; V306-L319 PolarHBondContact O-N 3.2Å; V306-A320 WeakPolarHBondContact CB-O 3.44Å; V306-A320 WeakPolarHBondContact CG2-O 3.28Å; V306-W364 HydrophobicContact CG2-CZ2 3.95Å
307	D	95	Very high	90.7	Very high	10 Å²	10	50 Å²	50	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142	-175.6	-73	-58.1	0	0	0	110.2	V291 V292 W316 Y318 P549	V291-D307 CarbonylContact C-O 3.55Å; V291-D307 WeakPolarHBondContact CA-O 3.46Å; V292-D307 PolarHBondContact N-O 3.34Å; V292-D307 PolarHBondContact O-N 3.16Å; D307-W316 HydrophobicContact CB-CE3 3.91Å; D307-W316 HydrophobicContact CB-CZ3 4.01Å; D307-Y318 WeakPolarHBondContact OD1-CD2 3.39Å; D307-P549 HydrophobicContact CB-CG 4.28Å
308	C	94.9	Very high	90.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.4	175	76	0	0	0	0	113.3	I289 L290 V291 W316 R317 L319	I289-C308 HydrophobicContact CD1-CB 3.83Å; L290-C308 CarbonylContact O-C 3.47Å; L290-C308 WeakPolarHBondContact O-CA 3.39Å; L290-C308 WeakPolarHBondContact O-CB 3.17Å; V291-C308 HydrophobicContact CG2-CB 4.01Å; C308-W316 VanDerWaalsContact C-CE3 3.47Å; C308-W316 CarbonylContact O-C 3.6Å; C308-W316 WeakPolarHBondContact O-CA 3.3Å; C308-R317 PolarHBondContact N-O 3.35Å; C308-R317 PolarHBondContact O-N 3.38Å; C308-R317 PolarHBondContact SG-O 2.82Å; C308-R317 VanDerWaalsContact SG-O 3.34Å; C308-L319 HydrophobicContact CB-CD1 3.85Å; C308-L319 HydrophobicContact CB-CD2 4.44Å; C308-L319 HydrophobicContact CB-CG 4.04Å
309	Y	94.6	Very high	90.8	Very high	20 Å²	20	47.8 Å²	47.8	8%	0.078	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.7	178.2	173.7	-106.3	0	0	0	110.3	I289 L290 P311 W316 L512 F517 A545	I289-Y309 WeakPolarHBondContact CA-O 3.47Å; I289-Y309 WeakPolarHBondContact CB-O 3.28Å; L290-Y309 PolarHBondContact N-O 3.31Å; L290-Y309 PolarHBondContact O-N 3.04Å; Y309-P311 HydrophobicContact CE1-CB 3.97Å; Y309-W316 AromaticContact CD2-CD1 3.93Å; Y309-W316 HydrophobicContact CD2-CD2 4.13Å; Y309-W316 AromaticContact CD2-CE2 3.7Å; Y309-W316 HydrophobicContact CD2-CG 4.26Å; Y309-W316 HydrophobicContact CD2-CZ2 4.17Å; Y309-W316 AromaticContact CD2-NE1 3.57Å; Y309-W316 HydrophobicContact CG-CD2 4.4Å; Y309-W316 HydrophobicContact CG-CZ2 4.08Å; Y309-L512 HydrophobicContact CD1-CD2 4.46Å; Y309-F517 HydrophobicContact CE1-CE1 4.21Å; Y309-A545 PolarHBondContact OH-O 2.98Å; Y309-A545 VanDerWaalsContact OH-O 3.06Å
310	N	91.4	Very high	90.9	Very high	8 Å²	8	43 Å²	43	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.5	172.1	-176.9	-18.9	0	0	0	109.7	I289 Q312 T313 G314 Q315	I289-N310 HydrophobicContact CG2-CB 4.15Å; N310-Q312 PolarHBondContact O-N 2.9Å; N310-Q312 VanDerWaalsContact OD1-CB 3.31Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.37Å; N310-Q312 PolarHBondContact OD1-N 2.75Å; N310-T313 WeakPolarHBondContact CB-OG1 3.38Å; N310-T313 PolarHBondContact O-N 3.34Å; N310-G314 WeakPolarHBondContact O-CA 3.41Å; N310-G314 PolarHBondContact O-N 2.86Å; N310-Q315 PolarHBondContact N-O 3.38Å
311	P	87.5	Confident	91.3	Very high	54 Å²	54	41 Å²	41	35%	0.351	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.1	-178.6	30.2	-37.6	0	0	0	113.6	E288 Y309 L512	E288-P311 VanDerWaalsContact O-CD 3.3Å; E288-P311 WeakPolarHBondContact O-CD 3.33Å; Y309-P311 HydrophobicContact CE1-CB 3.97Å; P311-L512 HydrophobicContact CB-CD2 4.15Å; P311-L512 HydrophobicContact CG-CD1 4.2Å; P311-L512 HydrophobicContact CG-CD2 3.86Å; P311-L512 HydrophobicContact CG-CG 4.22Å
312	Q	83.8	Confident	91.5	Very high	102 Å²	102	37.2 Å²	37.2	48%	0.477	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-36.9	178.4	-61.2	179.9	-16.2	0	0	111.9	N310	N310-Q312 PolarHBondContact O-N 2.9Å; N310-Q312 VanDerWaalsContact OD1-CB 3.31Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.37Å; N310-Q312 PolarHBondContact OD1-N 2.75Å
313	T	86.1	Confident	91.5	Very high	58 Å²	58	37.3 Å²	37.3	36%	0.356	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-15.6	179.6	65.1	0	0	0	0	112.9	N310 Q315	N310-T313 WeakPolarHBondContact CB-OG1 3.38Å; N310-T313 PolarHBondContact O-N 3.34Å; T313-Q315 PolarHBondContact O-N 3.37Å; T313-Q315 PolarHBondContact OG1-N 3.49Å
314	G	87.5	Confident	91.1	Very high	43 Å²	43	40.3 Å²	40.3	44%	0.443	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	11.3	-173.1	0	0	0	0	0	113.8	N310	N310-G314 WeakPolarHBondContact O-CA 3.41Å; N310-G314 PolarHBondContact O-N 2.86Å
315	Q	88.8	Confident	90.5	Very high	61 Å²	61	43.5 Å²	43.5	29%	0.285	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.3	-174.2	-68.3	-179.5	-34.4	0	0	112.4	N310 T313 E579	N310-Q315 PolarHBondContact N-O 3.38Å; T313-Q315 PolarHBondContact O-N 3.37Å; T313-Q315 PolarHBondContact OG1-N 3.49Å; Q315-E579 PolarHBondContact NE2-OE2 2.94Å
316	W	92	Very high	89.9	Confident	33 Å²	33	42.7 Å²	42.7	13%	0.125	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144.2	166.4	-71.5	92.5	0	0	0	111.5	L290 V292 D307 C308 Y309 V532 R547 L548 P549	L290-W316 HydrophobicContact CD2-CH2 4.32Å; V292-W316 HydrophobicContact CB-CZ3 4.5Å; V292-W316 HydrophobicContact CG2-CH2 3.94Å; V292-W316 HydrophobicContact CG2-CZ3 4.04Å; D307-W316 HydrophobicContact CB-CE3 3.91Å; D307-W316 HydrophobicContact CB-CZ3 4.01Å; C308-W316 VanDerWaalsContact C-CE3 3.47Å; C308-W316 CarbonylContact O-C 3.6Å; C308-W316 WeakPolarHBondContact O-CA 3.3Å; Y309-W316 AromaticContact CD2-CD1 3.93Å; Y309-W316 HydrophobicContact CD2-CD2 4.13Å; Y309-W316 AromaticContact CD2-CE2 3.7Å; Y309-W316 HydrophobicContact CD2-CG 4.26Å; Y309-W316 HydrophobicContact CD2-CZ2 4.17Å; Y309-W316 AromaticContact CD2-NE1 3.57Å; Y309-W316 HydrophobicContact CG-CD2 4.4Å; Y309-W316 HydrophobicContact CG-CZ2 4.08Å; W316-V532 HydrophobicContact CZ2-CG2 4.17Å; W316-R547 PolarHBondContact NE1-O 3.43Å; W316-L548 HydrophobicContact CH2-CD2 3.45Å; W316-L548 VanDerWaalsContact CH2-CD2 3.45Å; W316-L548 HydrophobicContact CZ2-CD2 3.76Å; W316-L548 HydrophobicContact CZ3-CD2 4.31Å; W316-P549 HydrophobicContact CB-CG 3.84Å; W316-P549 HydrophobicContact CD2-CG 3.71Å; W316-P549 HydrophobicContact CE3-CG 3.84Å; W316-P549 HydrophobicContact CG-CG 3.72Å
317	R	91.6	Very high	89.1	Confident	91 Å²	91	43.1 Å²	43.1	34%	0.343	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.8	175.6	-61.7	-176.5	-176.6	-175.2	1.5	110.9	C308 F564	C308-R317 PolarHBondContact N-O 3.35Å; C308-R317 PolarHBondContact O-N 3.38Å; C308-R317 PolarHBondContact SG-O 2.82Å; C308-R317 VanDerWaalsContact SG-O 3.34Å; R317-F564 VanDerWaalsContact NH1-CD1 3.28Å
318	Y	90.5	Very high	88.7	Confident	87 Å²	87	44 Å²	44	34%	0.341	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.4	176.8	-154.9	-118.5	0	0	0	112.1	T305 D307 E321	T305-Y318 HydrophobicContact CG2-CE2 4.15Å; D307-Y318 WeakPolarHBondContact OD1-CD2 3.39Å; Y318-E321 HydrophobicContact CE1-CG 3.47Å; Y318-E321 VanDerWaalsContact CE1-CG 3.47Å; Y318-E321 WeakPolarHBondContact CE1-OE1 3.45Å; Y318-E321 VanDerWaalsContact CZ-OE1 3.32Å; Y318-E321 WeakPolarHBondContact OH-CG 3.39Å; Y318-E321 PolarHBondContact OH-OE1 2.96Å
319	L	93.7	Very high	88.5	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	25%	0.247	C	C	.	.			trans	-107	-177.7	169.8	-59.3	-175.5	0	0	0	110.1	V291 V306 C308 E321 Y357 R562	V291-L319 HydrophobicContact CG1-CD1 3.89Å; V291-L319 HydrophobicContact CG2-CD1 4.05Å; V306-L319 HydrophobicContact CB-CB 4.17Å; V306-L319 HydrophobicContact CG1-CB 3.86Å; V306-L319 HydrophobicContact CG1-CD1 4.08Å; V306-L319 HydrophobicContact CG1-CG 4.42Å; V306-L319 PolarHBondContact O-N 3.2Å; C308-L319 HydrophobicContact CB-CD1 3.85Å; C308-L319 HydrophobicContact CB-CD2 4.44Å; C308-L319 HydrophobicContact CB-CG 4.04Å; L319-E321 PolarHBondContact O-N 2.83Å; L319-Y357 HydrophobicContact CD1-CE1 4.08Å; L319-R562 VanDerWaalsContact CD2-CZ 3.47Å
320	A	94.1	Very high	88.5	Confident	23 Å²	23	44.9 Å²	44.9	19%	0.19	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.6	132	173	0	0	0	0	0	110.8	V306 Y357 N362 W364	V306-A320 WeakPolarHBondContact CB-O 3.44Å; V306-A320 WeakPolarHBondContact CG2-O 3.28Å; A320-Y357 HydrophobicContact CB-CE2 4.19Å; A320-N362 WeakPolarHBondContact CB-O 3.5Å; A320-N362 PolarHBondContact N-ND2 2.62Å; A320-N362 PolarHBondContact N-OD1 3.05Å; A320-W364 PolarHBondContact O-NE1 3.49Å
321	E	94.4	Very high	88.7	Confident	39 Å²	39	45.3 Å²	45.3	18%	0.182	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60.3	148.9	176.6	-46	-166.3	135.8	0	0	110	Y318 L319 W364 R590	Y318-E321 HydrophobicContact CE1-CG 3.47Å; Y318-E321 VanDerWaalsContact CE1-CG 3.47Å; Y318-E321 WeakPolarHBondContact CE1-OE1 3.45Å; Y318-E321 VanDerWaalsContact CZ-OE1 3.32Å; Y318-E321 WeakPolarHBondContact OH-CG 3.39Å; Y318-E321 PolarHBondContact OH-OE1 2.96Å; L319-E321 PolarHBondContact O-N 2.83Å; E321-W364 PolarHBondContact O-NE1 2.92Å; E321-R590 VanDerWaalsContact CD-CZ 3.41Å; E321-R590 WeakPolarHBondContact OE1-CD 2.97Å; E321-R590 IonicContact OE1-CZ 2.61Å; E321-R590 IonicContact OE1-NE 2.64Å; E321-R590 PolarHBondContact OE1-NE 2.89Å; E321-R590 IonicContact OE1-NH2 2.74Å; E321-R590 IonicContact OE2-CZ 3.09Å; E321-R590 IonicContact OE2-NE 2.73Å; E321-R590 PolarHBondContact OE2-NE 2.82Å; E321-R590 IonicContact OE2-NH2 2.72Å; E321-R590 PolarHBondContact OE2-NH2 2.93Å
322	F	94.1	Very high	89.1	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.039	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-64.4	130.2	170.6	-172.5	-99.3	0	0	0	109.1	V304 D324 L326 V341 W355 W364	V304-F322 HydrophobicContact CB-CB 4.22Å; V304-F322 PolarHBondContact O-N 3.37Å; F322-D324 VanDerWaalsContact C-N 3.34Å; F322-D324 HydrophobicContact CD1-CB 4.36Å; F322-D324 WeakPolarHBondContact CD1-O 3.46Å; F322-D324 HydrophobicContact CE1-CB 3.74Å; F322-D324 HydrophobicContact CZ-CB 4.42Å; F322-D324 PolarHBondContact O-N 2.78Å; F322-L326 HydrophobicContact CB-CD1 4.23Å; F322-L326 HydrophobicContact CB-CD2 4.5Å; F322-L326 HydrophobicContact CB-CG 4.3Å; F322-L326 HydrophobicContact CD1-CD1 4.23Å; F322-L326 HydrophobicContact CD1-CD2 3.57Å; F322-L326 HydrophobicContact CD1-CG 3.42Å; F322-L326 VanDerWaalsContact CD1-CG 3.42Å; F322-L326 HydrophobicContact CD2-CD2 3.73Å; F322-L326 HydrophobicContact CD2-CG 4.36Å; F322-L326 HydrophobicContact CE1-CB 4.49Å; F322-L326 HydrophobicContact CE1-CD2 3.51Å; F322-L326 HydrophobicContact CE1-CG 3.68Å; F322-L326 HydrophobicContact CE2-CD2 3.66Å; F322-L326 HydrophobicContact CG-CD1 4.2Å; F322-L326 HydrophobicContact CG-CD2 3.67Å; F322-L326 HydrophobicContact CG-CG 3.78Å; F322-L326 HydrophobicContact CZ-CD2 3.55Å; F322-L326 HydrophobicContact CZ-CG 4.25Å; F322-V341 HydrophobicContact CD2-CG2 4.34Å; F322-V341 HydrophobicContact CE2-CB 3.91Å; F322-V341 HydrophobicContact CE2-CG1 3.91Å; F322-V341 HydrophobicContact CE2-CG2 4.05Å; F322-V341 HydrophobicContact CZ-CG1 4.17Å; F322-W355 HydrophobicContact CE2-CB 3.58Å; F322-W355 AromaticContact CE2-CD1 3.75Å; F322-W355 HydrophobicContact CE2-CD2 4.37Å; F322-W355 AromaticContact CE2-CG 3.62Å; F322-W355 HydrophobicContact CE2-CG 3.62Å; F322-W355 HydrophobicContact CZ-CB 4.13Å; F322-W355 AromaticContact CZ-CD1 3.34Å; F322-W355 HydrophobicContact CZ-CD2 4.36Å; F322-W355 AromaticContact CZ-CG 3.7Å; F322-W355 HydrophobicContact CZ-CG 3.7Å; F322-W355 AromaticContact CZ-NE1 3.78Å; F322-W364 HydrophobicContact CD2-CD2 4.2Å; F322-W364 HydrophobicContact CD2-CE3 4.1Å; F322-W364 HydrophobicContact CD2-CH2 4.05Å; F322-W364 HydrophobicContact CD2-CZ2 4.15Å; F322-W364 HydrophobicContact CD2-CZ3 4.02Å; F322-W364 HydrophobicContact CE2-CE3 4.32Å; F322-W364 HydrophobicContact CE2-CZ3 4.2Å
323	P	89.6	Confident	89.6	Confident	75 Å²	75	39.1 Å²	39.1	49%	0.487	22%	0.219	S	C	.	.	S	Bend	trans	-81.6	-8.4	-166.7	30.6	-36.3	0	0	0	114.9	W355 W364	P323-W355 HydrophobicContact CB-CH2 4.19Å; P323-W355 HydrophobicContact CB-CZ3 4.19Å; P323-W355 HydrophobicContact CG-CD2 3.96Å; P323-W355 HydrophobicContact CG-CE3 3.45Å; P323-W355 VanDerWaalsContact CG-CE3 3.45Å; P323-W355 HydrophobicContact CG-CH2 3.53Å; P323-W355 HydrophobicContact CG-CZ2 4.01Å; P323-W355 HydrophobicContact CG-CZ3 3.23Å; P323-W364 HydrophobicContact CG-CB 3.83Å; P323-W364 HydrophobicContact CG-CG 4.32Å
324	D	83.2	Confident	90.1	Very high	68 Å²	68	37.5 Å²	37.5	36%	0.364	21%	0.212	S	C	.	.	S	Bend	trans	-131.7	-167.3	-173.7	-157	-11.1	0	0	0	110.5	V304 F322 W355	V304-D324 WeakPolarHBondContact CG1-O 3.37Å; F322-D324 VanDerWaalsContact C-N 3.34Å; F322-D324 HydrophobicContact CD1-CB 4.36Å; F322-D324 WeakPolarHBondContact CD1-O 3.46Å; F322-D324 HydrophobicContact CE1-CB 3.74Å; F322-D324 HydrophobicContact CZ-CB 4.42Å; F322-D324 PolarHBondContact O-N 2.78Å; D324-W355 HydrophobicContact CB-CZ2 3.89Å
325	H	79.3	Confident	90.3	Very high	108 Å²	108	35.8 Å²	35.8	50%	0.5	19%	0.192	S	C	.	.			trans	-81.7	126.3	168.4	-62.6	-80.1	0	0	0	110
326	L	79.9	Confident	90.2	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.191	C	C	.	.			trans	-78.5	-36.4	173.7	-77.4	170	0	0	0	110.9	V293 E302 L303 F322 Y330 V341	V293-L326 HydrophobicContact CG1-CD1 3.98Å; V293-L326 HydrophobicContact CG1-CD2 4.38Å; E302-L326 WeakPolarHBondContact OE1-CA 3.11Å; E302-L326 PolarHBondContact OE1-N 3.41Å; L303-L326 WeakPolarHBondContact O-CD1 3.35Å; F322-L326 HydrophobicContact CB-CD1 4.23Å; F322-L326 HydrophobicContact CB-CD2 4.5Å; F322-L326 HydrophobicContact CB-CG 4.3Å; F322-L326 HydrophobicContact CD1-CD1 4.23Å; F322-L326 HydrophobicContact CD1-CD2 3.57Å; F322-L326 HydrophobicContact CD1-CG 3.42Å; F322-L326 VanDerWaalsContact CD1-CG 3.42Å; F322-L326 HydrophobicContact CD2-CD2 3.73Å; F322-L326 HydrophobicContact CD2-CG 4.36Å; F322-L326 HydrophobicContact CE1-CB 4.49Å; F322-L326 HydrophobicContact CE1-CD2 3.51Å; F322-L326 HydrophobicContact CE1-CG 3.68Å; F322-L326 HydrophobicContact CE2-CD2 3.66Å; F322-L326 HydrophobicContact CG-CD1 4.2Å; F322-L326 HydrophobicContact CG-CD2 3.67Å; F322-L326 HydrophobicContact CG-CG 3.78Å; F322-L326 HydrophobicContact CZ-CD2 3.55Å; F322-L326 HydrophobicContact CZ-CG 4.25Å; L326-Y330 HydrophobicContact CB-CD1 3.98Å; L326-Y330 HydrophobicContact CB-CE1 3.98Å; L326-Y330 HydrophobicContact CD2-CD2 4.35Å; L326-Y330 HydrophobicContact CD2-CE2 4.42Å; L326-Y330 HydrophobicContact CD2-CG 4.42Å; L326-V341 HydrophobicContact CD2-CG1 3.54Å; L326-V341 HydrophobicContact CD2-CG2 4.47Å
327	G	80.3	Confident	90.1	Very high	9 Å²	9	35.1 Å²	35.1	9%	0.093	20%	0.199	C	C	.	.			trans	62.9	-168.7	-172.2	0	0	0	0	0	113.5	E302 Y330 S345	E302-G327 VanDerWaalsContact CD-N 3.35Å; E302-G327 PolarHBondContact OE1-N 2.84Å; G327-Y330 VanDerWaalsContact O-CD1 3.28Å; G327-Y330 WeakPolarHBondContact O-CD1 3.24Å; G327-Y330 WeakPolarHBondContact O-CE1 3.11Å; G327-S345 CarbonylContact C-O 3.59Å; G327-S345 WeakPolarHBondContact CA-O 3.48Å
328	G	86.6	Confident	90.2	Very high	27 Å²	27	32.1 Å²	32.1	28%	0.278	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-85.5	155.6	168	0	0	0	0	0	112.3	Y330 G344 S345	G328-Y330 VanDerWaalsContact C-N 3.27Å; G328-Y330 PolarHBondContact O-N 2.92Å; G328-Y330 VanDerWaalsContact O-N 3.16Å; G328-G344 CarbonylContact O-C 3.5Å; G328-G344 VanDerWaalsContact O-CA 3.23Å; G328-G344 WeakPolarHBondContact O-CA 3.4Å; G328-S345 PolarHBondContact N-O 3.23Å; G328-S345 PolarHBondContact O-N 3.33Å
329	G	89.6	Confident	90.5	Very high	16 Å²	16	28 Å²	28	17%	0.165	17%	0.174	C	C	.	.	S	Bend	trans	68.6	13.8	168.6	0	0	0	0	0	116.3	E375 Y376	G329-E375 CarbonylContact O-C 3.58Å; G329-E375 WeakPolarHBondContact O-CA 3.31Å; G329-Y376 PolarHBondContact O-N 3.12Å
330	Y	94.8	Very high	90.6	Very high	25 Å²	25	27.8 Å²	27.8	10%	0.098	17%	0.172	C	C	.	.			trans	-66.5	165	168.5	66.7	-87.2	0	0	0	111.1	V293 G295 L326 G327 G328 I332 V341 G343 W554 H555 G556	V293-Y330 PolarHBondContact O-OH 3.35Å; G295-Y330 PolarHBondContact N-OH 3.22Å; L326-Y330 HydrophobicContact CB-CD1 3.98Å; L326-Y330 HydrophobicContact CB-CE1 3.98Å; L326-Y330 HydrophobicContact CD2-CD2 4.35Å; L326-Y330 HydrophobicContact CD2-CE2 4.42Å; L326-Y330 HydrophobicContact CD2-CG 4.42Å; G327-Y330 VanDerWaalsContact O-CD1 3.28Å; G327-Y330 WeakPolarHBondContact O-CD1 3.24Å; G327-Y330 WeakPolarHBondContact O-CE1 3.11Å; G328-Y330 VanDerWaalsContact C-N 3.27Å; G328-Y330 PolarHBondContact O-N 2.92Å; G328-Y330 VanDerWaalsContact O-N 3.16Å; Y330-I332 HydrophobicContact CD2-CG2 3.72Å; Y330-I332 HydrophobicContact CE2-CG2 3.65Å; Y330-V341 HydrophobicContact CD2-CG1 4.03Å; Y330-V341 HydrophobicContact CG-CG1 4.46Å; Y330-G343 WeakPolarHBondContact CB-O 3.22Å; Y330-W554 PolarHBondContact OH-O 2.93Å; Y330-H555 WeakPolarHBondContact OH-CA 3.48Å; Y330-G556 PolarHBondContact OH-N 2.99Å
331	S	95	Very high	90.8	Very high	16 Å²	16	26.9 Å²	26.9	11%	0.112	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.2	175.7	-158.3	0	0	0	0	111.6	V341 T342 H377 S379	S331-V341 WeakPolarHBondContact O-CA 3.12Å; S331-T342 PolarHBondContact N-O 2.7Å; S331-T342 PolarHBondContact O-N 3.08Å; S331-T342 PolarHBondContact O-OG1 2.86Å; S331-H377 WeakPolarHBondContact CB-NE2 3.39Å; S331-H377 WeakPolarHBondContact CB-O 3.22Å; S331-H377 PolarHBondContact OG-O 2.64Å; S331-S379 WeakPolarHBondContact OG-CB 3.37Å; S331-S379 PolarHBondContact OG-N 2.81Å
332	I	95.9	Very high	90.9	Very high	20 Å²	20	25.1 Å²	25.1	10%	0.103	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.6	179.3	74.1	159.8	0	0	0	112.4	V293 Y330 Y340 V341 G556 V558	V293-I332 HydrophobicContact CG2-CD1 4.35Å; Y330-I332 HydrophobicContact CD2-CG2 3.72Å; Y330-I332 HydrophobicContact CE2-CG2 3.65Å; I332-Y340 WeakPolarHBondContact CA-O 3.45Å; I332-V341 HydrophobicContact CG2-CB 4.48Å; I332-V341 HydrophobicContact CG2-CG2 3.88Å; I332-G556 VanDerWaalsContact CD1-CA 3.46Å; I332-V558 HydrophobicContact CD1-CB 4.23Å; I332-V558 HydrophobicContact CD1-CG1 3.67Å; I332-V558 HydrophobicContact CD1-CG2 3.87Å; I332-V558 HydrophobicContact CG1-CG1 3.84Å
333	A	95.7	Very high	90.9	Very high	7 Å²	7	25.1 Å²	25.1	6%	0.058	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	149.3	175.8	0	0	0	0	0	111.2	Y340 V381 L386	A333-Y340 PolarHBondContact N-O 2.94Å; A333-Y340 PolarHBondContact O-N 2.98Å; A333-V381 HydrophobicContact CB-CG2 4.31Å; A333-L386 HydrophobicContact CB-CD1 3.67Å
334	A	94.8	Very high	91.1	Very high	24 Å²	24	21.5 Å²	21.5	20%	0.198	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.7	173.5	0	0	0	0	0	110.2	D338 V381 V558 S559 I560	A334-D338 WeakPolarHBondContact CA-O 3.34Å; A334-V381 WeakPolarHBondContact O-CG2 3.29Å; A334-V558 HydrophobicContact CB-CB 4.17Å; A334-V558 HydrophobicContact CB-CG1 4.46Å; A334-V558 HydrophobicContact CB-CG2 4.48Å; A334-S559 WeakPolarHBondContact CB-O 3.24Å; A334-I560 HydrophobicContact CB-CG2 4.04Å
335	L	92.6	Very high	91.5	Very high	7 Å²	7	18.9 Å²	18.9	4%	0.037	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	103.8	173.8	172.7	58.1	0	0	0	108.6	C266 N337 D338 Y340 V381 G384 L386 Q399	C266-L335 HydrophobicContact CB-CD1 4.44Å; L335-N337 PolarHBondContact O-N 2.79Å; L335-D338 PolarHBondContact N-O 3.32Å; L335-D338 PolarHBondContact O-N 3.07Å; L335-D338 VanDerWaalsContact O-N 3.16Å; L335-Y340 HydrophobicContact CB-CD2 4Å; L335-Y340 HydrophobicContact CB-CE2 3.74Å; L335-Y340 HydrophobicContact CD2-CE2 4.08Å; L335-Y340 HydrophobicContact CG-CE2 4.35Å; L335-V381 HydrophobicContact CB-CG2 3.84Å; L335-V381 HydrophobicContact CD1-CG1 3.52Å; L335-V381 HydrophobicContact CD1-CG2 4.21Å; L335-G384 WeakPolarHBondContact CD1-O 3.5Å; L335-L386 HydrophobicContact CD2-CB 4.45Å; L335-Q399 HydrophobicContact CD2-CB 4.38Å; L335-Q399 VanDerWaalsContact CD2-OE1 3.26Å
336	G	87.5	Confident	91.8	Very high	25 Å²	25	17 Å²	17	26%	0.258	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-107.7	-170	0	0	0	0	0	111.1	C266 R270	C266-G336 WeakPolarHBondContact SG-CA 3.32Å; R270-G336 PolarHBondContact NH2-O 3.37Å
337	N	89.6	Confident	92.1	Very high	55 Å²	55	20.6 Å²	20.6	29%	0.294	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	1	-180	-151.4	48.8	0	0	0	114.6	L335 F561	L335-N337 PolarHBondContact O-N 2.79Å; N337-F561 PolarHBondContact ND2-O 3.08Å; N337-F561 WeakPolarHBondContact OD1-CA 3.45Å; N337-F561 VanDerWaalsContact OD1-CB 3.26Å; N337-F561 WeakPolarHBondContact OD1-CB 3.37Å; N337-F561 PolarHBondContact OD1-N 2.88Å; N337-F561 PolarHBondContact OD1-O 3.01Å
338	D	93.4	Very high	92.4	Very high	28 Å²	28	25.2 Å²	25.2	15%	0.15	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.9	176.1	-65.3	-17.1	0	0	0	108.6	A334 L335 Y340 R356 Y357	A334-D338 WeakPolarHBondContact CA-O 3.34Å; L335-D338 PolarHBondContact N-O 3.32Å; L335-D338 PolarHBondContact O-N 3.07Å; L335-D338 VanDerWaalsContact O-N 3.16Å; D338-Y340 HydrophobicContact CB-CE2 3.86Å; D338-R356 HydrophobicContact CB-CG 4.04Å; D338-Y357 WeakPolarHBondContact CA-O 3.31Å
339	M	96	Very high	92.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.7	172.9	-57.5	168.8	41	0	0	109.3	V291 V293 R356 Y357 V558 I560	V291-M339 HydrophobicContact CB-CE 3.93Å; V291-M339 HydrophobicContact CB-SD 3.73Å; V291-M339 HydrophobicContact CG1-CE 3.57Å; V291-M339 HydrophobicContact CG1-SD 3.69Å; V291-M339 HydrophobicContact CG2-SD 3.85Å; V293-M339 HydrophobicContact CG2-CE 3.37Å; M339-R356 CarbonylContact O-C 3.52Å; M339-R356 VanDerWaalsContact O-CA 3.3Å; M339-R356 WeakPolarHBondContact O-CA 3.42Å; M339-Y357 HydrophobicContact CB-CD1 4.5Å; M339-Y357 HydrophobicContact CG-CD1 4.36Å; M339-Y357 PolarHBondContact N-O 2.83Å; M339-Y357 PolarHBondContact O-N 2.74Å; M339-Y357 HydrophobicContact SD-CD1 3.99Å; M339-V558 HydrophobicContact CE-CG2 3.55Å; M339-V558 HydrophobicContact CG-CG2 3.89Å; M339-V558 HydrophobicContact SD-CG2 3.86Å; M339-I560 HydrophobicContact CG-CD1 4.31Å; M339-I560 HydrophobicContact CG-CG2 3.51Å; M339-I560 HydrophobicContact SD-CD1 3.85Å; M339-I560 HydrophobicContact SD-CG1 4.36Å; M339-I560 HydrophobicContact SD-CG2 4.13Å
340	Y	97.1	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.1	177.1	-70.3	-101.5	0	0	0	109.1	I332 A333 L335 D338 V354 W355 R356 V367 L386 Y397 Q399	I332-Y340 WeakPolarHBondContact CA-O 3.45Å; A333-Y340 PolarHBondContact N-O 2.94Å; A333-Y340 PolarHBondContact O-N 2.98Å; L335-Y340 HydrophobicContact CB-CD2 4Å; L335-Y340 HydrophobicContact CB-CE2 3.74Å; L335-Y340 HydrophobicContact CD2-CE2 4.08Å; L335-Y340 HydrophobicContact CG-CE2 4.35Å; D338-Y340 HydrophobicContact CB-CE2 3.86Å; Y340-V354 HydrophobicContact CD1-CG1 4.14Å; Y340-W355 CarbonylContact C-O 3.45Å; Y340-W355 VanDerWaalsContact CA-O 3.31Å; Y340-W355 WeakPolarHBondContact CA-O 3.33Å; Y340-R356 HydrophobicContact CD1-CB 4.07Å; Y340-R356 HydrophobicContact CD1-CG 4.38Å; Y340-R356 HydrophobicContact CE1-CB 3.79Å; Y340-R356 HydrophobicContact CE1-CG 3.85Å; Y340-R356 HydrophobicContact CE2-CG 4.08Å; Y340-R356 VanDerWaalsContact OH-CD 3.27Å; Y340-R356 WeakPolarHBondContact OH-CD 3.37Å; Y340-V367 HydrophobicContact CE1-CG2 4.4Å; Y340-L386 HydrophobicContact CD1-CD2 3.95Å; Y340-L386 HydrophobicContact CG-CD2 3.9Å; Y340-Y397 HydrophobicContact CE1-CD1 4.31Å; Y340-Y397 AromaticContact CE1-CE1 3.74Å; Y340-Y397 HydrophobicContact CE1-CE1 3.74Å; Y340-Q399 PolarHBondContact OH-NE2 3.26Å; Y340-Q399 PolarHBondContact OH-OE1 3.17Å
341	V	97.4	Very high	92.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.2	168.1	177.3	0	0	0	0	106.9	V293 F322 L326 Y330 S331 I332 V354 W355 W364	V293-V341 HydrophobicContact CG1-CG2 4.29Å; F322-V341 HydrophobicContact CD2-CG2 4.34Å; F322-V341 HydrophobicContact CE2-CB 3.91Å; F322-V341 HydrophobicContact CE2-CG1 3.91Å; F322-V341 HydrophobicContact CE2-CG2 4.05Å; F322-V341 HydrophobicContact CZ-CG1 4.17Å; L326-V341 HydrophobicContact CD2-CG1 3.54Å; L326-V341 HydrophobicContact CD2-CG2 4.47Å; Y330-V341 HydrophobicContact CD2-CG1 4.03Å; Y330-V341 HydrophobicContact CG-CG1 4.46Å; S331-V341 WeakPolarHBondContact O-CA 3.12Å; I332-V341 HydrophobicContact CG2-CB 4.48Å; I332-V341 HydrophobicContact CG2-CG2 3.88Å; V341-V354 WeakPolarHBondContact O-CA 3.48Å; V341-W355 HydrophobicContact CB-CB 4.36Å; V341-W355 PolarHBondContact N-O 2.98Å; V341-W355 PolarHBondContact O-N 2.79Å; V341-W364 HydrophobicContact CB-CZ3 4.34Å; V341-W364 HydrophobicContact CG2-CH2 3.55Å; V341-W364 HydrophobicContact CG2-CZ3 3.61Å
342	T	96.5	Very high	92.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.1	-171.7	48.4	0	0	0	0	110.3	S331 V354 M370 H377 S379 L386 V388	S331-T342 PolarHBondContact N-O 2.7Å; S331-T342 PolarHBondContact O-N 3.08Å; S331-T342 PolarHBondContact O-OG1 2.86Å; T342-V354 HydrophobicContact CG2-CG1 3.9Å; T342-V354 HydrophobicContact CG2-CG2 4.24Å; T342-M370 HydrophobicContact CG2-SD 4.49Å; T342-H377 WeakPolarHBondContact CB-NE2 3.5Å; T342-H377 PolarHBondContact O-CE1 2.88Å; T342-H377 PolarHBondContact O-NE2 2.81Å; T342-H377 VanDerWaalsContact O-NE2 3.08Å; T342-H377 PolarHBondContact OG1-NE2 3.34Å; T342-S379 PolarHBondContact OG1-OG 2.88Å; T342-L386 HydrophobicContact CG2-CD2 4.18Å; T342-V388 HydrophobicContact CG2-CG2 4.25Å
343	G	94.9	Very high	92.8	Very high	9 Å²	9	36.3 Å²	36.3	9%	0.093	22%	0.223	C	C	.	.			trans	58.5	-149.6	172.3	0	0	0	0	0	114.6	Y330 Y351 G353 M370	Y330-G343 WeakPolarHBondContact CB-O 3.22Å; G343-Y351 VanDerWaalsContact CA-O 3.27Å; G343-Y351 WeakPolarHBondContact CA-O 3.32Å; G343-G353 PolarHBondContact N-O 2.84Å; G343-G353 VanDerWaalsContact N-O 3.1Å; G343-M370 VanDerWaalsContact CA-CE 3.45Å
344	G	93.1	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.221	C	C	.	.			trans	114.7	-177.8	-174.6	0	0	0	0	0	112.5	G328 Y351 R374	G328-G344 CarbonylContact O-C 3.5Å; G328-G344 VanDerWaalsContact O-CA 3.23Å; G328-G344 WeakPolarHBondContact O-CA 3.4Å; G344-Y351 PolarHBondContact O-N 3.41Å; G344-R374 PolarHBondContact N-O 2.81Å
345	S	91.1	Very high	93	Very high	12 Å²	12	36.8 Å²	36.8	8%	0.084	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-149	148.2	175	86.9	0	0	0	0	112.8	G327 G328 G347 R349 E375	G327-S345 CarbonylContact C-O 3.59Å; G327-S345 WeakPolarHBondContact CA-O 3.48Å; G328-S345 PolarHBondContact N-O 3.23Å; G328-S345 PolarHBondContact O-N 3.33Å; S345-G347 VanDerWaalsContact C-N 3.29Å; S345-G347 PolarHBondContact OG-N 2.66Å; S345-R349 VanDerWaalsContact CA-O 3.25Å; S345-R349 WeakPolarHBondContact CA-O 3.5Å; S345-R349 WeakPolarHBondContact CB-O 3.49Å; S345-E375 WeakPolarHBondContact CB-OE2 3.49Å; S345-E375 PolarHBondContact OG-OE2 2.85Å
346	D	86.6	Confident	93.2	Very high	70 Å²	70	38.3 Å²	38.3	37%	0.374	22%	0.224	S	C	.	.			trans	-95.3	16.5	170	63.6	12.5	0	0	0	112.4	S348 R349 Y351	D346-S348 PolarHBondContact O-N 2.83Å; D346-S348 VanDerWaalsContact OD1-CA 3.32Å; D346-S348 WeakPolarHBondContact OD1-CA 3.43Å; D346-S348 WeakPolarHBondContact OD1-CB 3.42Å; D346-S348 PolarHBondContact OD1-N 3.32Å; D346-S348 PolarHBondContact OD1-OG 2.8Å; D346-S348 PolarHBondContact OD2-OG 3.01Å; D346-R349 PolarHBondContact N-O 3.49Å; D346-R349 PolarHBondContact OD1-N 2.75Å; D346-Y351 HydrophobicContact CB-CE2 4.03Å; D346-Y351 PolarHBondContact OD2-OH 2.9Å
347	G	85.1	Confident	93.7	Very high	76 Å²	76	37.1 Å²	37.1	78%	0.784	21%	0.211	S	C	*	.	S	Bend	trans	77.1	-16.4	-171.5	0	0	0	0	0	115.1	S345	S345-G347 VanDerWaalsContact C-N 3.29Å; S345-G347 PolarHBondContact OG-N 2.66Å
348	S	87.3	Confident	93.9	Very high	107 Å²	107	37.5 Å²	37.5	75%	0.748	21%	0.211	S	C	*	.	S	Bend	trans	-103.6	-35.4	176	81.3	0	0	0	0	112.8	D346	D346-S348 PolarHBondContact O-N 2.83Å; D346-S348 VanDerWaalsContact OD1-CA 3.32Å; D346-S348 WeakPolarHBondContact OD1-CA 3.43Å; D346-S348 WeakPolarHBondContact OD1-CB 3.42Å; D346-S348 PolarHBondContact OD1-N 3.32Å; D346-S348 PolarHBondContact OD1-OG 2.8Å; D346-S348 PolarHBondContact OD2-OG 3.01Å
349	R	90.9	Very high	93.8	Very high	150 Å²	150	36.5 Å²	36.5	57%	0.566	21%	0.206	S	C	*	.			trans	-137.9	142.3	-175.7	175.7	174	178.4	-168.8	-2.5	110.5	S345 D346 Y351	S345-R349 VanDerWaalsContact CA-O 3.25Å; S345-R349 WeakPolarHBondContact CA-O 3.5Å; S345-R349 WeakPolarHBondContact CB-O 3.49Å; D346-R349 PolarHBondContact N-O 3.49Å; D346-R349 PolarHBondContact OD1-N 2.75Å; R349-Y351 HydrophobicContact CG-CE1 4.4Å
350	L	94.3	Very high	93.5	Very high	76 Å²	76	41.5 Å²	41.5	40%	0.398	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-85.5	140.8	166.1	-61.4	178.6	0	0	0	110.3	A373 E375	L350-A373 HydrophobicContact CB-CB 3.88Å; L350-E375 HydrophobicContact CD2-CB 4.18Å; L350-E375 HydrophobicContact CD2-CG 3.68Å
351	Y	94.4	Very high	93.2	Very high	42 Å²	42	45.2 Å²	45.2	17%	0.165	26%	0.263	C	S	.	.			trans	-103.6	140.1	178.8	-63.2	-69.1	0	0	0	111.7	G343 G344 D346 R349 A373 R374	G343-Y351 VanDerWaalsContact CA-O 3.27Å; G343-Y351 WeakPolarHBondContact CA-O 3.32Å; G344-Y351 PolarHBondContact O-N 3.41Å; D346-Y351 HydrophobicContact CB-CE2 4.03Å; D346-Y351 PolarHBondContact OD2-OH 2.9Å; R349-Y351 HydrophobicContact CG-CE1 4.4Å; Y351-A373 VanDerWaalsContact O-CA 3.32Å; Y351-A373 WeakPolarHBondContact O-CA 3.21Å; Y351-R374 PolarHBondContact O-N 2.87Å
352	D	95.4	Very high	93	Very high	53 Å²	53	47.5 Å²	47.5	28%	0.283	28%	0.275	S	S	.	.			trans	-107.1	-6.3	168.1	53.1	-11.1	0	0	0	112.4	P369 M370 A373	D352-P369 HydrophobicContact CB-CB 4.33Å; D352-P369 WeakPolarHBondContact O-CA 3.22Å; D352-M370 HydrophobicContact CB-CB 4.35Å; D352-M370 PolarHBondContact O-N 3.17Å; D352-A373 HydrophobicContact CB-CB 3.86Å
353	G	95.4	Very high	93	Very high	16 Å²	16	53.1 Å²	53.1	17%	0.165	30%	0.301	C	S	.	.			trans	-57	145.8	-179.8	0	0	0	0	0	112.8	G343	G343-G353 PolarHBondContact N-O 2.84Å; G343-G353 VanDerWaalsContact N-O 3.1Å
354	V	97.1	Very high	93.1	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	123.7	179.9	-174.4	0	0	0	0	108.8	Y340 V341 T342 E366 V367 M370 W404	Y340-V354 HydrophobicContact CD1-CG1 4.14Å; V341-V354 WeakPolarHBondContact O-CA 3.48Å; T342-V354 HydrophobicContact CG2-CG1 3.9Å; T342-V354 HydrophobicContact CG2-CG2 4.24Å; V354-E366 WeakPolarHBondContact O-CA 3.35Å; V354-V367 HydrophobicContact CB-CG2 3.68Å; V354-V367 HydrophobicContact CG1-CG2 3.44Å; V354-V367 VanDerWaalsContact CG1-CG2 3.44Å; V354-V367 PolarHBondContact O-N 3.24Å; V354-M370 HydrophobicContact CG2-CG 3.63Å; V354-W404 HydrophobicContact CG1-CZ2 4.29Å; V354-W404 HydrophobicContact CG2-CZ2 3.72Å
355	W	97.6	Very high	93.3	Very high	40 Å²	40	56 Å²	56	15%	0.152	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.1	-176.7	-73.6	92.9	0	0	0	110.2	F322 P323 D324 Y340 V341 W364 E366	F322-W355 HydrophobicContact CE2-CB 3.58Å; F322-W355 AromaticContact CE2-CD1 3.75Å; F322-W355 HydrophobicContact CE2-CD2 4.37Å; F322-W355 AromaticContact CE2-CG 3.62Å; F322-W355 HydrophobicContact CE2-CG 3.62Å; F322-W355 HydrophobicContact CZ-CB 4.13Å; F322-W355 AromaticContact CZ-CD1 3.34Å; F322-W355 HydrophobicContact CZ-CD2 4.36Å; F322-W355 AromaticContact CZ-CG 3.7Å; F322-W355 HydrophobicContact CZ-CG 3.7Å; F322-W355 AromaticContact CZ-NE1 3.78Å; P323-W355 HydrophobicContact CB-CH2 4.19Å; P323-W355 HydrophobicContact CB-CZ3 4.19Å; P323-W355 HydrophobicContact CG-CD2 3.96Å; P323-W355 HydrophobicContact CG-CE3 3.45Å; P323-W355 VanDerWaalsContact CG-CE3 3.45Å; P323-W355 HydrophobicContact CG-CH2 3.53Å; P323-W355 HydrophobicContact CG-CZ2 4.01Å; P323-W355 HydrophobicContact CG-CZ3 3.23Å; D324-W355 HydrophobicContact CB-CZ2 3.89Å; Y340-W355 CarbonylContact C-O 3.45Å; Y340-W355 VanDerWaalsContact CA-O 3.31Å; Y340-W355 WeakPolarHBondContact CA-O 3.33Å; V341-W355 HydrophobicContact CB-CB 4.36Å; V341-W355 PolarHBondContact N-O 2.98Å; V341-W355 PolarHBondContact O-N 2.79Å; W355-W364 HydrophobicContact CB-CE3 3.87Å; W355-W364 HydrophobicContact CB-CZ3 4.12Å; W355-W364 HydrophobicContact CE3-CB 4.19Å; W355-E366 HydrophobicContact CD2-CB 4.32Å; W355-E366 HydrophobicContact CE3-CB 4.07Å; W355-E366 HydrophobicContact CH2-CB 4.1Å; W355-E366 HydrophobicContact CZ2-CB 4.34Å; W355-E366 HydrophobicContact CZ2-CG 4.48Å; W355-E366 HydrophobicContact CZ3-CB 3.95Å
356	R	97.6	Very high	93.6	Very high	40 Å²	40	61.1 Å²	61.1	15%	0.151	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122	176.4	179.4	-174.8	60	-160.3	-12.5	110.4	D338 M339 Y340 K358 W364 T365 V367	D338-R356 HydrophobicContact CB-CG 4.04Å; M339-R356 CarbonylContact O-C 3.52Å; M339-R356 VanDerWaalsContact O-CA 3.3Å; M339-R356 WeakPolarHBondContact O-CA 3.42Å; Y340-R356 HydrophobicContact CD1-CB 4.07Å; Y340-R356 HydrophobicContact CD1-CG 4.38Å; Y340-R356 HydrophobicContact CE1-CB 3.79Å; Y340-R356 HydrophobicContact CE1-CG 3.85Å; Y340-R356 HydrophobicContact CE2-CG 4.08Å; Y340-R356 VanDerWaalsContact OH-CD 3.27Å; Y340-R356 WeakPolarHBondContact OH-CD 3.37Å; R356-K358 VanDerWaalsContact NE-CE 3.27Å; R356-W364 CarbonylContact O-C 3.51Å; R356-W364 WeakPolarHBondContact O-CA 3.13Å; R356-T365 PolarHBondContact N-O 2.72Å; R356-T365 PolarHBondContact NE-OG1 3.01Å; R356-T365 PolarHBondContact NH2-OG1 3.1Å; R356-T365 PolarHBondContact O-N 3.28Å; R356-T365 PolarHBondContact O-OG1 3.46Å; R356-V367 HydrophobicContact CB-CG1 3.91Å
357	Y	97.4	Very high	94.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.5	168.7	176.4	-105.5	0	0	0	111.1	L319 A320 D338 M339 N362 E363 W364 I560 R562	L319-Y357 HydrophobicContact CD1-CE1 4.08Å; A320-Y357 HydrophobicContact CB-CE2 4.19Å; D338-Y357 WeakPolarHBondContact CA-O 3.31Å; M339-Y357 HydrophobicContact CB-CD1 4.5Å; M339-Y357 HydrophobicContact CG-CD1 4.36Å; M339-Y357 PolarHBondContact N-O 2.83Å; M339-Y357 PolarHBondContact O-N 2.74Å; M339-Y357 HydrophobicContact SD-CD1 3.99Å; Y357-N362 PolarHBondContact OH-OD1 3.01Å; Y357-E363 WeakPolarHBondContact CA-O 3.46Å; Y357-W364 AromaticContact CD2-CD1 3.96Å; Y357-W364 AromaticContact CD2-CD2 4Å; Y357-W364 HydrophobicContact CD2-CD2 4Å; Y357-W364 AromaticContact CD2-CE2 3.69Å; Y357-W364 HydrophobicContact CD2-CG 4.16Å; Y357-W364 HydrophobicContact CD2-CZ2 4.16Å; Y357-W364 AromaticContact CD2-NE1 3.65Å; Y357-W364 HydrophobicContact CG-CD2 4.31Å; Y357-W364 HydrophobicContact CG-CH2 4.45Å; Y357-W364 HydrophobicContact CG-CZ2 4.12Å; Y357-I560 HydrophobicContact CE1-CD1 4.18Å; Y357-R562 PolarHBondContact OH-NH1 2.8Å
358	K	94.3	Very high	94.7	Very high	63 Å²	63	56.4 Å²	56.4	27%	0.274	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.2	175.5	-68.8	-179.1	-176.1	172.3	0	110.5	R356 S360 V361 N362 E363	R356-K358 VanDerWaalsContact NE-CE 3.27Å; K358-S360 VanDerWaalsContact C-N 3.26Å; K358-S360 PolarHBondContact O-N 3.29Å; K358-V361 HydrophobicContact CB-CG2 3.67Å; K358-V361 HydrophobicContact CD-CG2 4.38Å; K358-V361 PolarHBondContact O-N 3.11Å; K358-N362 PolarHBondContact O-N 3.45Å; K358-E363 PolarHBondContact N-O 2.81Å
359	S	91.1	Very high	95.2	Very high	7 Å²	7	54.4 Å²	54.4	5%	0.049	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.2	-177.9	-172.4	0	0	0	0	113.6	V361 F561 R562	S359-V361 VanDerWaalsContact C-N 3.34Å; S359-V361 PolarHBondContact O-N 3.11Å; S359-F561 PolarHBondContact OG-O 2.95Å; S359-R562 PolarHBondContact O-NH1 2.87Å; S359-R562 PolarHBondContact OG-NH1 3.38Å
360	S	88.5	Confident	95.5	Very high	106 Å²	106	47.4 Å²	47.4	74%	0.741	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.9	-177.2	54.4	0	0	0	0	114.3	K358	K358-S360 VanDerWaalsContact C-N 3.26Å; K358-S360 PolarHBondContact O-N 3.29Å
361	V	91.9	Very high	95.6	Very high	78 Å²	78	48.5 Å²	48.5	47%	0.473	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-9.2	-179.2	-66.7	0	0	0	0	112.9	K358 S359 E363	K358-V361 HydrophobicContact CB-CG2 3.67Å; K358-V361 HydrophobicContact CD-CG2 4.38Å; K358-V361 PolarHBondContact O-N 3.11Å; S359-V361 VanDerWaalsContact C-N 3.34Å; S359-V361 PolarHBondContact O-N 3.11Å; V361-E363 HydrophobicContact CG2-CB 3.98Å; V361-E363 HydrophobicContact CG2-CG 4.32Å
362	N	93.2	Very high	95.7	Very high	52 Å²	52	51.2 Å²	51.2	28%	0.278	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	49.7	-177.4	-168.4	78.1	0	0	0	111.8	A320 Y357 K358 R562	A320-N362 WeakPolarHBondContact CB-O 3.5Å; A320-N362 PolarHBondContact N-ND2 2.62Å; A320-N362 PolarHBondContact N-OD1 3.05Å; Y357-N362 PolarHBondContact OH-OD1 3.01Å; K358-N362 PolarHBondContact O-N 3.45Å; N362-R562 PolarHBondContact OD1-NH2 2.85Å
363	E	95.6	Very high	95.7	Very high	118 Å²	118	50.1 Å²	50.1	55%	0.551	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	149.6	-177	-68.5	177.8	169.6	0	0	111.6	Y357 K358 V361	Y357-E363 WeakPolarHBondContact CA-O 3.46Å; K358-E363 PolarHBondContact N-O 2.81Å; V361-E363 HydrophobicContact CG2-CB 3.98Å; V361-E363 HydrophobicContact CG2-CG 4.32Å
364	W	97.6	Very high	95.5	Very high	29 Å²	29	50 Å²	50	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.5	172.4	-69.3	95.2	0	0	0	110.6	V306 A320 E321 F322 P323 V341 W355 R356 Y357	V306-W364 HydrophobicContact CG2-CZ2 3.95Å; A320-W364 PolarHBondContact O-NE1 3.49Å; E321-W364 PolarHBondContact O-NE1 2.92Å; F322-W364 HydrophobicContact CD2-CD2 4.2Å; F322-W364 HydrophobicContact CD2-CE3 4.1Å; F322-W364 HydrophobicContact CD2-CH2 4.05Å; F322-W364 HydrophobicContact CD2-CZ2 4.15Å; F322-W364 HydrophobicContact CD2-CZ3 4.02Å; F322-W364 HydrophobicContact CE2-CE3 4.32Å; F322-W364 HydrophobicContact CE2-CZ3 4.2Å; P323-W364 HydrophobicContact CG-CB 3.83Å; P323-W364 HydrophobicContact CG-CG 4.32Å; V341-W364 HydrophobicContact CB-CZ3 4.34Å; V341-W364 HydrophobicContact CG2-CH2 3.55Å; V341-W364 HydrophobicContact CG2-CZ3 3.61Å; W355-W364 HydrophobicContact CB-CE3 3.87Å; W355-W364 HydrophobicContact CB-CZ3 4.12Å; W355-W364 HydrophobicContact CE3-CB 4.19Å; R356-W364 CarbonylContact O-C 3.51Å; R356-W364 WeakPolarHBondContact O-CA 3.13Å; Y357-W364 AromaticContact CD2-CD1 3.96Å; Y357-W364 AromaticContact CD2-CD2 4Å; Y357-W364 HydrophobicContact CD2-CD2 4Å; Y357-W364 AromaticContact CD2-CE2 3.69Å; Y357-W364 HydrophobicContact CD2-CG 4.16Å; Y357-W364 HydrophobicContact CD2-CZ2 4.16Å; Y357-W364 AromaticContact CD2-NE1 3.65Å; Y357-W364 HydrophobicContact CG-CD2 4.31Å; Y357-W364 HydrophobicContact CG-CH2 4.45Å; Y357-W364 HydrophobicContact CG-CZ2 4.12Å
365	T	96.9	Very high	95.3	Very high	42 Å²	42	53.2 Å²	53.2	26%	0.258	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.6	173.4	59.3	0	0	0	0	109.3	R356	R356-T365 PolarHBondContact N-O 2.72Å; R356-T365 PolarHBondContact NE-OG1 3.01Å; R356-T365 PolarHBondContact NH2-OG1 3.1Å; R356-T365 PolarHBondContact O-N 3.28Å; R356-T365 PolarHBondContact O-OG1 3.46Å
366	E	96.6	Very high	95	Very high	119 Å²	119	57.9 Å²	57.9	56%	0.556	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	141.9	167.8	-162.1	178	-173.9	0	0	109.6	V354 W355	V354-E366 WeakPolarHBondContact O-CA 3.35Å; W355-E366 HydrophobicContact CD2-CB 4.32Å; W355-E366 HydrophobicContact CE3-CB 4.07Å; W355-E366 HydrophobicContact CH2-CB 4.1Å; W355-E366 HydrophobicContact CZ2-CB 4.34Å; W355-E366 HydrophobicContact CZ2-CG 4.48Å; W355-E366 HydrophobicContact CZ3-CB 3.95Å
367	V	97.5	Very high	94.8	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.055	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	178.7	174	-60.2	0	0	0	0	109	Y340 V354 R356 Y397	Y340-V367 HydrophobicContact CE1-CG2 4.4Å; V354-V367 HydrophobicContact CB-CG2 3.68Å; V354-V367 HydrophobicContact CG1-CG2 3.44Å; V354-V367 VanDerWaalsContact CG1-CG2 3.44Å; V354-V367 PolarHBondContact O-N 3.24Å; R356-V367 HydrophobicContact CB-CG1 3.91Å; V367-Y397 HydrophobicContact CG2-CE2 4.49Å
368	S	97.9	Very high	94.7	Very high	38 Å²	38	57 Å²	57	27%	0.266	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-50.5	132.9	-179.1	-78.5	0	0	0	0	112.3	D402 W404	S368-D402 VanDerWaalsContact CB-O 3.27Å; S368-D402 WeakPolarHBondContact CB-O 3.36Å; S368-D402 VanDerWaalsContact CB-OD1 3.29Å; S368-D402 WeakPolarHBondContact CB-OD1 3.35Å; S368-D402 PolarHBondContact N-OD1 3.17Å; S368-D402 PolarHBondContact OG-O 2.77Å; S368-D402 PolarHBondContact OG-OD1 2.87Å; S368-W404 PolarHBondContact O-NE1 3.45Å
369	P	97.6	Very high	94.7	Very high	64 Å²	64	54.4 Å²	54.4	42%	0.416	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-69.3	154.3	-179.2	29.9	-35.6	0	0	0	111	D352 W404	D352-P369 HydrophobicContact CB-CB 4.33Å; D352-P369 WeakPolarHBondContact O-CA 3.22Å; P369-W404 PolarHBondContact O-NE1 3.3Å
370	M	97.6	Very high	94.9	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.02	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-58	158.1	172.5	-61	-174.8	-64.6	0	0	110.8	T342 G343 D352 V354 K372 R374 V388 W404	T342-M370 HydrophobicContact CG2-SD 4.49Å; G343-M370 VanDerWaalsContact CA-CE 3.45Å; D352-M370 HydrophobicContact CB-CB 4.35Å; D352-M370 PolarHBondContact O-N 3.17Å; V354-M370 HydrophobicContact CG2-CG 3.63Å; M370-K372 PolarHBondContact O-N 2.77Å; M370-R374 HydrophobicContact CE-CG 3.7Å; M370-R374 HydrophobicContact SD-CG 4.39Å; M370-V388 HydrophobicContact SD-CB 4.41Å; M370-V388 HydrophobicContact SD-CG1 3.98Å; M370-V388 HydrophobicContact SD-CG2 3.86Å; M370-W404 HydrophobicContact CG-CD2 4.49Å; M370-W404 HydrophobicContact CG-CH2 4.05Å; M370-W404 HydrophobicContact CG-CZ2 3.82Å; M370-W404 HydrophobicContact CG-CZ3 4.48Å
371	L	97.4	Very high	95.2	Very high	99 Å²	99	50.3 Å²	50.3	52%	0.518	26%	0.259	S	S	.	.	S	Bend	trans	-69	-21.7	178.6	-55	173.8	0	0	0	112.2	E395 W404 A406	L371-E395 WeakPolarHBondContact CB-OE2 3.26Å; L371-E395 HydrophobicContact CD1-CG 4.25Å; L371-E395 VanDerWaalsContact CG-OE2 3.26Å; L371-E395 WeakPolarHBondContact CG-OE2 3.2Å; L371-E395 PolarHBondContact N-OE2 3.49Å; L371-W404 HydrophobicContact CD1-CB 4.35Å; L371-W404 HydrophobicContact CD2-CB 3.91Å; L371-W404 HydrophobicContact CG-CB 3.78Å; L371-A406 HydrophobicContact CD1-CB 3.75Å
372	K	95.2	Very high	95.2	Very high	99 Å²	99	46.8 Å²	46.8	43%	0.43	24%	0.238	S	C	.	.	S	Bend	trans	-142	131.8	178.4	-174.5	177.5	179.2	178.8	0	111.4	M370 R374 D392 E395	M370-K372 PolarHBondContact O-N 2.77Å; K372-R374 PolarHBondContact O-NE 3.36Å; K372-D392 IonicContact NZ-OD2 3.27Å; K372-D392 PolarHBondContact NZ-OD2 3.02Å; K372-E395 PolarHBondContact N-OE1 3.27Å
373	A	95.1	Very high	95.1	Very high	30 Å²	30	47.5 Å²	47.5	25%	0.248	24%	0.239	C	C	.	.			trans	-68.1	134.8	171.7	0	0	0	0	0	111.3	L350 Y351 D352	L350-A373 HydrophobicContact CB-CB 3.88Å; Y351-A373 VanDerWaalsContact O-CA 3.32Å; Y351-A373 WeakPolarHBondContact O-CA 3.21Å; D352-A373 HydrophobicContact CB-CB 3.86Å
374	R	92.7	Very high	94.8	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.045	22%	0.223	C	C	.	.			trans	-162.4	158.7	-170.2	58.2	176.8	85.1	-115.4	12.7	112.7	G344 Y351 M370 K372 H377 D392 S393 E395	G344-R374 PolarHBondContact N-O 2.81Å; Y351-R374 PolarHBondContact O-N 2.87Å; M370-R374 HydrophobicContact CE-CG 3.7Å; M370-R374 HydrophobicContact SD-CG 4.39Å; K372-R374 PolarHBondContact O-NE 3.36Å; R374-H377 HydrophobicContact CG-CB 4.34Å; R374-D392 IonicContact NH1-OD1 3.57Å; R374-D392 PolarHBondContact NH1-OD1 3.01Å; R374-S393 VanDerWaalsContact CZ-OG 3.3Å; R374-S393 PolarHBondContact NH1-OG 2.84Å; R374-S393 PolarHBondContact NH2-OG 2.85Å; R374-E395 IonicContact CZ-OE1 2.61Å; R374-E395 IonicContact NH2-OE1 3.48Å; R374-E395 PolarHBondContact NH2-OE1 2.96Å
375	E	92.4	Very high	94.6	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	23%	0.226	S	C	.	.	S	Bend	trans	-129.9	165.5	168.3	61.4	173.3	177.5	0	0	109.5	G329 S345 L350 H377	G329-E375 CarbonylContact O-C 3.58Å; G329-E375 WeakPolarHBondContact O-CA 3.31Å; S345-E375 WeakPolarHBondContact CB-OE2 3.49Å; S345-E375 PolarHBondContact OG-OE2 2.85Å; L350-E375 HydrophobicContact CD2-CB 4.18Å; L350-E375 HydrophobicContact CD2-CG 3.68Å; E375-H377 PolarHBondContact O-N 2.88Å; E375-H377 VanDerWaalsContact O-N 3.15Å
376	Y	90.4	Very high	94.6	Very high	138 Å²	138	41.4 Å²	41.4	54%	0.541	21%	0.214	S	C	.	.	S	Bend	trans	56.7	23.4	-178.6	-54	-66.4	0	0	0	114.6	G329	G329-Y376 PolarHBondContact O-N 3.12Å
377	H	93.7	Very high	94.6	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.042	19%	0.187	C	C	.	.			trans	-81.3	166.4	167.5	63	-76.9	0	0	0	111.3	S331 T342 R374 E375 V388 A390	S331-H377 WeakPolarHBondContact CB-NE2 3.39Å; S331-H377 WeakPolarHBondContact CB-O 3.22Å; S331-H377 PolarHBondContact OG-O 2.64Å; T342-H377 WeakPolarHBondContact CB-NE2 3.5Å; T342-H377 PolarHBondContact O-CE1 2.88Å; T342-H377 PolarHBondContact O-NE2 2.81Å; T342-H377 VanDerWaalsContact O-NE2 3.08Å; T342-H377 PolarHBondContact OG1-NE2 3.34Å; R374-H377 HydrophobicContact CG-CB 4.34Å; E375-H377 PolarHBondContact O-N 2.88Å; E375-H377 VanDerWaalsContact O-N 3.15Å; H377-V388 HydrophobicContact CB-CG1 4.17Å; H377-A390 HydrophobicContact CB-CB 4.04Å
378	S	94.7	Very high	94.6	Very high	12 Å²	12	35.3 Å²	35.3	8%	0.084	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128	175	-174.4	0	0	0	0	110.4	V389 T419	S378-V389 PolarHBondContact N-O 2.85Å; S378-V389 PolarHBondContact O-N 3.03Å; S378-T419 WeakPolarHBondContact CB-OG1 3.47Å; S378-T419 WeakPolarHBondContact OG-CB 3.38Å; S378-T419 PolarHBondContact OG-N 2.79Å; S378-T419 PolarHBondContact OG-OG1 3.24Å
379	S	95.4	Very high	94.5	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.4	175	-69.8	0	0	0	0	110.7	S331 T342 Y387	S331-S379 WeakPolarHBondContact OG-CB 3.37Å; S331-S379 PolarHBondContact OG-N 2.81Å; T342-S379 PolarHBondContact OG1-OG 2.88Å; S379-Y387 CarbonylContact C-O 3.58Å; S379-Y387 VanDerWaalsContact CA-O 3.29Å; S379-Y387 WeakPolarHBondContact CA-O 3.4Å
380	C	94.7	Very high	94.3	Very high	11 Å²	11	30.9 Å²	30.9	7%	0.074	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.2	-178.7	-166.4	0	0	0	0	111.2	Y387 T420 A421 L426	C380-Y387 PolarHBondContact N-O 2.79Å; C380-Y387 PolarHBondContact O-N 2.99Å; C380-T420 VanDerWaalsContact SG-C 3.58Å; C380-T420 VanDerWaalsContact SG-CA 3.59Å; C380-A421 PolarHBondContact SG-N 3.02Å; C380-L426 HydrophobicContact CB-CD2 4.12Å
381	V	94.3	Very high	93.8	Very high	16 Å²	16	32.9 Å²	32.9	10%	0.097	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.7	-179.6	171.9	0	0	0	0	110.4	A333 A334 L335 Q385 L386 A421	A333-V381 HydrophobicContact CB-CG2 4.31Å; A334-V381 WeakPolarHBondContact O-CG2 3.29Å; L335-V381 HydrophobicContact CB-CG2 3.84Å; L335-V381 HydrophobicContact CD1-CG1 3.52Å; L335-V381 HydrophobicContact CD1-CG2 4.21Å; V381-Q385 WeakPolarHBondContact CA-O 3.4Å; V381-L386 HydrophobicContact CG2-CD1 4.19Å; V381-A421 WeakPolarHBondContact O-CB 3.27Å
382	L	93.4	Very high	93.2	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131	173.8	175	66.2	0	0	0	109.6	G384 Q385 Y387 A421 L426 A445	L382-G384 PolarHBondContact O-N 2.92Å; L382-Q385 PolarHBondContact N-O 2.78Å; L382-Q385 PolarHBondContact O-N 2.86Å; L382-Y387 HydrophobicContact CB-CD2 4.02Å; L382-Y387 HydrophobicContact CB-CE2 3.78Å; L382-Y387 HydrophobicContact CG-CE2 4.47Å; L382-A421 HydrophobicContact CB-CB 4.46Å; L382-A421 HydrophobicContact CD1-CB 4.42Å; L382-L426 HydrophobicContact CB-CD2 3.73Å; L382-L426 HydrophobicContact CB-CG 4.2Å; L382-L426 HydrophobicContact CD2-CD2 4.24Å; L382-L426 HydrophobicContact CD2-CG 3.83Å; L382-L426 HydrophobicContact CG-CD2 4.49Å; L382-A445 HydrophobicContact CD2-CB 3.86Å
383	K	89.9	Confident	93.1	Very high	68 Å²	68	28.6 Å²	28.6	30%	0.296	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	42	176.6	-64.7	-177.6	174.9	-172.9	0	113.6	C266 E267 Q385 A445 E446	C266-K383 CarbonylContact O-C 3.58Å; E267-K383 VanDerWaalsContact O-CA 3.28Å; E267-K383 WeakPolarHBondContact O-CA 3.49Å; E267-K383 PolarHBondContact O-N 2.85Å; K383-Q385 VanDerWaalsContact C-N 3.26Å; K383-Q385 PolarHBondContact O-N 2.79Å; K383-A445 HydrophobicContact CD-CB 4.49Å; K383-E446 IonicContact NZ-OE1 3.7Å; K383-E446 PolarHBondContact NZ-OE1 3.34Å
384	G	90.4	Very high	93.2	Very high	21 Å²	21	27.3 Å²	27.3	22%	0.216	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	13.6	177.7	0	0	0	0	0	114.8	C266 L335 L382	C266-G384 WeakPolarHBondContact O-CA 3.09Å; C266-G384 PolarHBondContact O-N 2.8Å; L335-G384 WeakPolarHBondContact CD1-O 3.5Å; L382-G384 PolarHBondContact O-N 2.92Å
385	Q	93.6	Very high	93.4	Very high	39 Å²	39	27 Å²	27	18%	0.182	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.1	178.6	-58.3	-176.6	-65.1	0	0	109.7	V381 L382 K383 Y387 R396	V381-Q385 WeakPolarHBondContact CA-O 3.4Å; L382-Q385 PolarHBondContact N-O 2.78Å; L382-Q385 PolarHBondContact O-N 2.86Å; K383-Q385 VanDerWaalsContact C-N 3.26Å; K383-Q385 PolarHBondContact O-N 2.79Å; Q385-Y387 HydrophobicContact CB-CE2 3.94Å; Q385-Y387 WeakPolarHBondContact O-CD2 3.4Å; Q385-R396 HydrophobicContact CB-CG 4.01Å; Q385-R396 VanDerWaalsContact OE1-CD 3.28Å
386	L	96.3	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130	176	173.5	69.2	0	0	0	108.8	A333 L335 Y340 T342 V381 R396 Y397 W404	A333-L386 HydrophobicContact CB-CD1 3.67Å; L335-L386 HydrophobicContact CD2-CB 4.45Å; Y340-L386 HydrophobicContact CD1-CD2 3.95Å; Y340-L386 HydrophobicContact CG-CD2 3.9Å; T342-L386 HydrophobicContact CG2-CD2 4.18Å; V381-L386 HydrophobicContact CG2-CD1 4.19Å; L386-R396 CarbonylContact O-C 3.4Å; L386-R396 WeakPolarHBondContact O-CA 3.47Å; L386-Y397 HydrophobicContact CB-CD1 4.31Å; L386-Y397 HydrophobicContact CD2-CD1 4.43Å; L386-Y397 PolarHBondContact O-N 3.43Å; L386-W404 HydrophobicContact CD2-CH2 4.07Å; L386-W404 HydrophobicContact CD2-CZ2 4.47Å; L386-W404 HydrophobicContact CG-CH2 4.41Å
387	Y	97.1	Very high	94	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.1	176.6	-73	-104.2	0	0	0	109.4	S379 C380 L382 Q385 T394 E395 R396 L407 L426 Y443	S379-Y387 CarbonylContact C-O 3.58Å; S379-Y387 VanDerWaalsContact CA-O 3.29Å; S379-Y387 WeakPolarHBondContact CA-O 3.4Å; C380-Y387 PolarHBondContact N-O 2.79Å; C380-Y387 PolarHBondContact O-N 2.99Å; L382-Y387 HydrophobicContact CB-CD2 4.02Å; L382-Y387 HydrophobicContact CB-CE2 3.78Å; L382-Y387 HydrophobicContact CG-CE2 4.47Å; Q385-Y387 HydrophobicContact CB-CE2 3.94Å; Q385-Y387 WeakPolarHBondContact O-CD2 3.4Å; Y387-T394 HydrophobicContact CD1-CG2 4.48Å; Y387-E395 CarbonylContact C-O 3.57Å; Y387-E395 WeakPolarHBondContact CA-O 3.44Å; Y387-R396 HydrophobicContact CD1-CB 4.13Å; Y387-R396 HydrophobicContact CD1-CG 4.38Å; Y387-R396 HydrophobicContact CD2-CG 4.48Å; Y387-R396 HydrophobicContact CE1-CB 4.03Å; Y387-R396 HydrophobicContact CE1-CG 4.06Å; Y387-R396 HydrophobicContact CE2-CG 4.13Å; Y387-R396 VanDerWaalsContact OH-CD 3.28Å; Y387-R396 WeakPolarHBondContact OH-CD 3.5Å; Y387-L407 HydrophobicContact CD1-CD1 3.92Å; Y387-L407 HydrophobicContact CE1-CD1 3.46Å; Y387-L407 VanDerWaalsContact CE1-CD1 3.46Å; Y387-L426 HydrophobicContact CD1-CD1 3.76Å; Y387-L426 HydrophobicContact CD2-CD1 4.32Å; Y387-L426 HydrophobicContact CE1-CD1 4.34Å; Y387-L426 HydrophobicContact CG-CD1 3.73Å; Y387-Y443 HydrophobicContact CE1-CD1 4.4Å; Y387-Y443 AromaticContact CE1-CE1 3.73Å; Y387-Y443 HydrophobicContact CE1-CE1 3.73Å
388	V	97.1	Very high	93.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.4	168.8	167.8	0	0	0	0	107.1	T342 M370 H377 T394 E395 W404	T342-V388 HydrophobicContact CG2-CG2 4.25Å; M370-V388 HydrophobicContact SD-CB 4.41Å; M370-V388 HydrophobicContact SD-CG1 3.98Å; M370-V388 HydrophobicContact SD-CG2 3.86Å; H377-V388 HydrophobicContact CB-CG1 4.17Å; V388-T394 WeakPolarHBondContact O-CA 3.06Å; V388-E395 PolarHBondContact N-O 3.23Å; V388-E395 PolarHBondContact O-N 2.78Å; V388-W404 HydrophobicContact CB-CH2 4.4Å; V388-W404 HydrophobicContact CB-CZ3 4.02Å; V388-W404 HydrophobicContact CG2-CH2 3.49Å; V388-W404 VanDerWaalsContact CG2-CH2 3.49Å; V388-W404 HydrophobicContact CG2-CZ3 3.6Å
389	V	95.8	Very high	93.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.2	179.6	-173.5	0	0	0	0	108.3	S378 T394 M410 T419 L426 W450	S378-V389 PolarHBondContact N-O 2.85Å; S378-V389 PolarHBondContact O-N 3.03Å; V389-T394 HydrophobicContact CG2-CG2 4.23Å; V389-M410 HydrophobicContact CG1-CE 4.49Å; V389-M410 HydrophobicContact CG1-CG 4.28Å; V389-M410 HydrophobicContact CG1-SD 3.92Å; V389-T419 HydrophobicContact CB-CG2 3.72Å; V389-T419 HydrophobicContact CG1-CG2 3.88Å; V389-T419 HydrophobicContact CG2-CG2 4.05Å; V389-L426 HydrophobicContact CG2-CD1 4.33Å; V389-W450 HydrophobicContact CG1-CH2 3.92Å; V389-W450 HydrophobicContact CG1-CZ2 3.88Å; V389-W450 HydrophobicContact CG2-CH2 4.33Å; V389-W450 HydrophobicContact CG2-CZ2 4.21Å
390	A	92.8	Very high	93.5	Very high	8 Å²	8	28.1 Å²	28.1	7%	0.066	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	171.1	175.7	0	0	0	0	0	109.9	H377 D392 S393 M410	H377-A390 HydrophobicContact CB-CB 4.04Å; A390-D392 PolarHBondContact O-N 2.78Å; A390-D392 VanDerWaalsContact O-N 3.16Å; A390-S393 PolarHBondContact N-O 2.9Å; A390-S393 PolarHBondContact O-N 3.06Å; A390-S393 VanDerWaalsContact O-O 3.05Å; A390-M410 WeakPolarHBondContact O-CE 3.28Å
391	S	88.2	Confident	93.5	Very high	46 Å²	46	33.6 Å²	33.6	32%	0.322	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-37.4	-177.9	59.9	0	0	0	0	113.6	P413 M414	S391-P413 VanDerWaalsContact O-CA 3.25Å; S391-P413 WeakPolarHBondContact O-CA 3.43Å; S391-P413 VanDerWaalsContact O-CB 3.29Å; S391-P413 WeakPolarHBondContact O-CB 3.46Å; S391-M414 WeakPolarHBondContact CB-O 3.18Å
392	D	85	Confident	93.5	Very high	86 Å²	86	36.1 Å²	36.1	46%	0.46	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-5.6	-171	69.3	-9.5	0	0	0	114.7	K372 R374 A390	K372-D392 IonicContact NZ-OD2 3.27Å; K372-D392 PolarHBondContact NZ-OD2 3.02Å; R374-D392 IonicContact NH1-OD1 3.57Å; R374-D392 PolarHBondContact NH1-OD1 3.01Å; A390-D392 PolarHBondContact O-N 2.78Å; A390-D392 VanDerWaalsContact O-N 3.16Å
393	S	92.5	Very high	93.7	Very high	23 Å²	23	38.6 Å²	38.6	16%	0.161	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	155.9	-170.7	46.3	0	0	0	0	112.9	R374 A390	R374-S393 VanDerWaalsContact CZ-OG 3.3Å; R374-S393 PolarHBondContact NH1-OG 2.84Å; R374-S393 PolarHBondContact NH2-OG 2.85Å; A390-S393 PolarHBondContact N-O 2.9Å; A390-S393 PolarHBondContact O-N 3.06Å; A390-S393 VanDerWaalsContact O-O 3.05Å
394	T	96.4	Very high	94.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.2	172.2	-59.2	0	0	0	0	107.8	Y387 V388 V389 L407 W450	Y387-T394 HydrophobicContact CD1-CG2 4.48Å; V388-T394 WeakPolarHBondContact O-CA 3.06Å; V389-T394 HydrophobicContact CG2-CG2 4.23Å; T394-L407 HydrophobicContact CG2-CB 4.12Å; T394-L407 HydrophobicContact CG2-CD1 4.28Å; T394-L407 WeakPolarHBondContact O-CA 3.35Å; T394-L407 PolarHBondContact O-N 2.89Å; T394-W450 HydrophobicContact CG2-CZ2 4.29Å; T394-W450 PolarHBondContact OG1-NE1 2.92Å
395	E	97.3	Very high	94.4	Very high	6 Å²	6	40 Å²	40	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.8	179.7	-58.8	-179.6	-147.1	0	0	109.9	L371 K372 R374 Y387 V388 W404 E405	L371-E395 WeakPolarHBondContact CB-OE2 3.26Å; L371-E395 HydrophobicContact CD1-CG 4.25Å; L371-E395 VanDerWaalsContact CG-OE2 3.26Å; L371-E395 WeakPolarHBondContact CG-OE2 3.2Å; L371-E395 PolarHBondContact N-OE2 3.49Å; K372-E395 PolarHBondContact N-OE1 3.27Å; R374-E395 IonicContact CZ-OE1 2.61Å; R374-E395 IonicContact NH2-OE1 3.48Å; R374-E395 PolarHBondContact NH2-OE1 2.96Å; Y387-E395 CarbonylContact C-O 3.57Å; Y387-E395 WeakPolarHBondContact CA-O 3.44Å; V388-E395 PolarHBondContact N-O 3.23Å; V388-E395 PolarHBondContact O-N 2.78Å; E395-W404 HydrophobicContact CB-CE3 3.81Å; E395-W404 HydrophobicContact CB-CZ3 4.17Å; E395-E405 WeakPolarHBondContact CA-O 3.46Å
396	R	97.4	Very high	94.6	Very high	48 Å²	48	41.5 Å²	41.5	18%	0.181	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.4	179.2	177.6	179.2	73.7	176.1	-10.7	110.6	Q385 L386 Y387 W404 E405 L407	Q385-R396 HydrophobicContact CB-CG 4.01Å; Q385-R396 VanDerWaalsContact OE1-CD 3.28Å; L386-R396 CarbonylContact O-C 3.4Å; L386-R396 WeakPolarHBondContact O-CA 3.47Å; Y387-R396 HydrophobicContact CD1-CB 4.13Å; Y387-R396 HydrophobicContact CD1-CG 4.38Å; Y387-R396 HydrophobicContact CD2-CG 4.48Å; Y387-R396 HydrophobicContact CE1-CB 4.03Å; Y387-R396 HydrophobicContact CE1-CG 4.06Å; Y387-R396 HydrophobicContact CE2-CG 4.13Å; Y387-R396 VanDerWaalsContact OH-CD 3.28Å; Y387-R396 WeakPolarHBondContact OH-CD 3.5Å; R396-W404 CarbonylContact O-C 3.57Å; R396-W404 WeakPolarHBondContact O-CA 3.36Å; R396-E405 IonicContact CZ-OE2 3.74Å; R396-E405 PolarHBondContact N-O 3.23Å; R396-E405 IonicContact NE-OE2 2.77Å; R396-E405 IonicContact NH2-OE1 3.17Å; R396-E405 IonicContact NH2-OE2 2.77Å; R396-E405 PolarHBondContact NH2-OE2 2.84Å; R396-E405 PolarHBondContact O-N 3.06Å; R396-L407 HydrophobicContact CB-CD1 3.59Å; R396-L407 HydrophobicContact CB-CG 4.18Å
397	Y	97.5	Very high	94.7	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.1	176.4	176.5	-111.8	0	0	0	111.3	Y340 V367 L386 Q399 D402 W404	Y340-Y397 HydrophobicContact CE1-CD1 4.31Å; Y340-Y397 AromaticContact CE1-CE1 3.74Å; Y340-Y397 HydrophobicContact CE1-CE1 3.74Å; V367-Y397 HydrophobicContact CG2-CE2 4.49Å; L386-Y397 HydrophobicContact CB-CD1 4.31Å; L386-Y397 HydrophobicContact CD2-CD1 4.43Å; L386-Y397 PolarHBondContact O-N 3.43Å; Y397-Q399 HydrophobicContact CE1-CB 4Å; Y397-D402 WeakPolarHBondContact CE2-OD1 3.49Å; Y397-D402 PolarHBondContact OH-OD1 2.87Å; Y397-W404 AromaticContact CD2-CD1 3.9Å; Y397-W404 HydrophobicContact CD2-CD2 4.11Å; Y397-W404 AromaticContact CD2-CE2 3.67Å; Y397-W404 HydrophobicContact CD2-CG 4.25Å; Y397-W404 HydrophobicContact CD2-CZ2 4.1Å; Y397-W404 AromaticContact CD2-NE1 3.53Å; Y397-W404 HydrophobicContact CG-CD2 4.4Å; Y397-W404 AromaticContact CG-CE2 3.98Å; Y397-W404 HydrophobicContact CG-CH2 4.44Å; Y397-W404 AromaticContact CG-CZ2 3.99Å; Y397-W404 HydrophobicContact CG-CZ2 3.99Å
398	D	91.9	Very high	94.6	Very high	46 Å²	46	45.1 Å²	45.1	25%	0.246	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	109.3	170.4	-170	-42.2	0	0	0	109.6	A400 L401 D402 C403	D398-A400 VanDerWaalsContact C-N 3.26Å; D398-A400 PolarHBondContact O-N 3Å; D398-A400 WeakPolarHBondContact OD1-CA 3.22Å; D398-A400 WeakPolarHBondContact OD1-CB 3.31Å; D398-A400 PolarHBondContact OD1-N 2.74Å; D398-L401 HydrophobicContact CB-CB 4.27Å; D398-L401 PolarHBondContact O-N 3.29Å; D398-L401 PolarHBondContact OD1-N 3.22Å; D398-L401 VanDerWaalsContact OD1-N 3.17Å; D398-D402 WeakPolarHBondContact O-CA 3.42Å; D398-D402 PolarHBondContact O-N 2.8Å; D398-C403 PolarHBondContact N-O 2.98Å; D398-C403 PolarHBondContact O-N 2.98Å
399	Q	91.3	Very high	94.4	Very high	71 Å²	71	46.4 Å²	46.4	33%	0.332	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.3	-179.9	178.7	173.1	-2.5	0	0	113.4	L335 Y340 Y397	L335-Q399 HydrophobicContact CD2-CB 4.38Å; L335-Q399 VanDerWaalsContact CD2-OE1 3.26Å; Y340-Q399 PolarHBondContact OH-NE2 3.26Å; Y340-Q399 PolarHBondContact OH-OE1 3.17Å; Y397-Q399 HydrophobicContact CE1-CB 4Å
400	A	90.8	Very high	94.3	Very high	95 Å²	95	47.2 Å²	47.2	79%	0.785	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-35	-178.2	0	0	0	0	0	111.8	D398	D398-A400 VanDerWaalsContact C-N 3.26Å; D398-A400 PolarHBondContact O-N 3Å; D398-A400 WeakPolarHBondContact OD1-CA 3.22Å; D398-A400 WeakPolarHBondContact OD1-CB 3.31Å; D398-A400 PolarHBondContact OD1-N 2.74Å
401	L	93.6	Very high	94.3	Very high	126 Å²	126	51.4 Å²	51.4	66%	0.66	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-13.7	178.2	-62	178.4	0	0	0	113.5	D398 C403	D398-L401 HydrophobicContact CB-CB 4.27Å; D398-L401 PolarHBondContact O-N 3.29Å; D398-L401 PolarHBondContact OD1-N 3.22Å; D398-L401 VanDerWaalsContact OD1-N 3.17Å; L401-C403 VanDerWaalsContact CB-SG 3.54Å
402	D	96.3	Very high	94.5	Very high	69 Å²	69	53.8 Å²	53.8	37%	0.369	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	54	-173.4	-170.2	13.5	0	0	0	111.3	S368 Y397 D398	S368-D402 VanDerWaalsContact CB-O 3.27Å; S368-D402 WeakPolarHBondContact CB-O 3.36Å; S368-D402 VanDerWaalsContact CB-OD1 3.29Å; S368-D402 WeakPolarHBondContact CB-OD1 3.35Å; S368-D402 PolarHBondContact N-OD1 3.17Å; S368-D402 PolarHBondContact OG-O 2.77Å; S368-D402 PolarHBondContact OG-OD1 2.87Å; Y397-D402 WeakPolarHBondContact CE2-OD1 3.49Å; Y397-D402 PolarHBondContact OH-OD1 2.87Å; D398-D402 WeakPolarHBondContact O-CA 3.42Å; D398-D402 PolarHBondContact O-N 2.8Å
403	C	97.1	Very high	94.8	Very high	54 Å²	54	52.8 Å²	52.8	37%	0.365	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	156.1	-179.6	68.5	0	0	0	0	112.5	D398 L401	D398-C403 PolarHBondContact N-O 2.98Å; D398-C403 PolarHBondContact O-N 2.98Å; L401-C403 VanDerWaalsContact CB-SG 3.54Å
404	W	98.2	Very high	94.7	Very high	23 Å²	23	51.8 Å²	51.8	9%	0.087	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.4	176.6	-68.4	86	0	0	0	111.9	V354 S368 P369 M370 L371 L386 V388 E395 R396 Y397	V354-W404 HydrophobicContact CG1-CZ2 4.29Å; V354-W404 HydrophobicContact CG2-CZ2 3.72Å; S368-W404 PolarHBondContact O-NE1 3.45Å; P369-W404 PolarHBondContact O-NE1 3.3Å; M370-W404 HydrophobicContact CG-CD2 4.49Å; M370-W404 HydrophobicContact CG-CH2 4.05Å; M370-W404 HydrophobicContact CG-CZ2 3.82Å; M370-W404 HydrophobicContact CG-CZ3 4.48Å; L371-W404 HydrophobicContact CD1-CB 4.35Å; L371-W404 HydrophobicContact CD2-CB 3.91Å; L371-W404 HydrophobicContact CG-CB 3.78Å; L386-W404 HydrophobicContact CD2-CH2 4.07Å; L386-W404 HydrophobicContact CD2-CZ2 4.47Å; L386-W404 HydrophobicContact CG-CH2 4.41Å; V388-W404 HydrophobicContact CB-CH2 4.4Å; V388-W404 HydrophobicContact CB-CZ3 4.02Å; V388-W404 HydrophobicContact CG2-CH2 3.49Å; V388-W404 VanDerWaalsContact CG2-CH2 3.49Å; V388-W404 HydrophobicContact CG2-CZ3 3.6Å; E395-W404 HydrophobicContact CB-CE3 3.81Å; E395-W404 HydrophobicContact CB-CZ3 4.17Å; R396-W404 CarbonylContact O-C 3.57Å; R396-W404 WeakPolarHBondContact O-CA 3.36Å; Y397-W404 AromaticContact CD2-CD1 3.9Å; Y397-W404 HydrophobicContact CD2-CD2 4.11Å; Y397-W404 AromaticContact CD2-CE2 3.67Å; Y397-W404 HydrophobicContact CD2-CG 4.25Å; Y397-W404 HydrophobicContact CD2-CZ2 4.1Å; Y397-W404 AromaticContact CD2-NE1 3.53Å; Y397-W404 HydrophobicContact CG-CD2 4.4Å; Y397-W404 AromaticContact CG-CE2 3.98Å; Y397-W404 HydrophobicContact CG-CH2 4.44Å; Y397-W404 AromaticContact CG-CZ2 3.99Å; Y397-W404 HydrophobicContact CG-CZ2 3.99Å
405	E	97.3	Very high	94.1	Very high	95 Å²	95	54.7 Å²	54.7	44%	0.444	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.2	174.7	-176.7	-175.6	-178.1	0	0	109.7	E395 R396 L407	E395-E405 WeakPolarHBondContact CA-O 3.46Å; R396-E405 IonicContact CZ-OE2 3.74Å; R396-E405 PolarHBondContact N-O 3.23Å; R396-E405 IonicContact NE-OE2 2.77Å; R396-E405 IonicContact NH2-OE1 3.17Å; R396-E405 IonicContact NH2-OE2 2.77Å; R396-E405 PolarHBondContact NH2-OE2 2.84Å; R396-E405 PolarHBondContact O-N 3.06Å; E405-L407 HydrophobicContact CG-CD2 4.45Å
406	A	97.6	Very high	93.4	Very high	71 Å²	71	56.7 Å²	56.7	59%	0.587	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	130.2	172.7	0	0	0	0	0	110.4	L371	L371-A406 HydrophobicContact CD1-CB 3.75Å
407	L	97.4	Very high	93	Very high	18 Å²	18	55 Å²	55	9%	0.094	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	165.3	177	-62.4	179.4	0	0	0	110.5	Y387 T394 R396 E405 G409	Y387-L407 HydrophobicContact CD1-CD1 3.92Å; Y387-L407 HydrophobicContact CE1-CD1 3.46Å; Y387-L407 VanDerWaalsContact CE1-CD1 3.46Å; T394-L407 HydrophobicContact CG2-CB 4.12Å; T394-L407 HydrophobicContact CG2-CD1 4.28Å; T394-L407 WeakPolarHBondContact O-CA 3.35Å; T394-L407 PolarHBondContact O-N 2.89Å; R396-L407 HydrophobicContact CB-CD1 3.59Å; R396-L407 HydrophobicContact CB-CG 4.18Å; E405-L407 HydrophobicContact CG-CD2 4.45Å; L407-G409 PolarHBondContact O-N 2.88Å
408	P	95.5	Very high	92.7	Very high	60 Å²	60	55.6 Å²	55.6	39%	0.39	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-55.1	127.9	170	-24.6	36.6	0	0	0	110.6	N448 W450	P408-N448 WeakPolarHBondContact CD-OD1 3.23Å; P408-W450 PolarHBondContact O-NE1 3.17Å
409	G	93	Very high	92.9	Very high	27 Å²	27	53.8 Å²	53.8	28%	0.278	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-67.5	170.1	172.6	0	0	0	0	0	112.4	L407 W450	L407-G409 PolarHBondContact O-N 2.88Å; G409-W450 VanDerWaalsContact C-CD1 3.43Å
410	M	94.2	Very high	93.1	Very high	16 Å²	16	50.8 Å²	50.8	8%	0.079	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-54.7	150.2	175	-65	-174.3	-60.4	0	0	111.4	V389 A390 H412 M414 A428 W450	V389-M410 HydrophobicContact CG1-CE 4.49Å; V389-M410 HydrophobicContact CG1-CG 4.28Å; V389-M410 HydrophobicContact CG1-SD 3.92Å; A390-M410 WeakPolarHBondContact O-CE 3.28Å; M410-H412 VanDerWaalsContact C-N 3.26Å; M410-H412 PolarHBondContact O-N 2.77Å; M410-M414 HydrophobicContact CE-CB 3.9Å; M410-M414 HydrophobicContact CE-CE 4.08Å; M410-M414 HydrophobicContact CE-CG 4.22Å; M410-M414 HydrophobicContact SD-CE 3.31Å; M410-M414 WeakPolarHBondContact SD-CE 3.34Å; M410-A428 HydrophobicContact SD-CB 3.81Å; M410-W450 HydrophobicContact CB-CD2 4.48Å; M410-W450 HydrophobicContact CG-CD2 3.92Å; M410-W450 HydrophobicContact CG-CE3 4.08Å; M410-W450 HydrophobicContact CG-CH2 4.04Å; M410-W450 HydrophobicContact CG-CZ2 3.87Å; M410-W450 HydrophobicContact CG-CZ3 4.14Å; M410-W450 HydrophobicContact SD-CH2 4.41Å
411	L	92.6	Very high	93.3	Very high	96 Å²	96	46.3 Å²	46.3	50%	0.503	27%	0.267	S	S	.	.	S	Bend	trans	-63.1	-39.5	179.8	-68.5	175.8	0	0	0	111.3	W450 M452	L411-W450 WeakPolarHBondContact CD1-O 3.37Å; L411-W450 HydrophobicContact CG-CB 3.99Å; L411-M452 HydrophobicContact CD1-CG 4.35Å
412	H	91	Very high	93.4	Very high	96 Å²	96	40.3 Å²	40.3	44%	0.444	24%	0.236	S	C	.	.	S	Bend	trans	-123.4	126.8	173.7	-61.8	-74.4	0	0	0	108.3	M410 L432 Q441	M410-H412 VanDerWaalsContact C-N 3.26Å; M410-H412 PolarHBondContact O-N 2.77Å; H412-L432 HydrophobicContact CB-CD2 3.73Å; H412-Q441 PolarHBondContact O-NE2 2.89Å
413	P	91.6	Very high	93.1	Very high	66 Å²	66	39 Å²	39	43%	0.429	23%	0.229	S	C	.	.			trans	-54.5	141.5	171.7	-27.7	37	0	0	0	111.3	S391 T433	S391-P413 VanDerWaalsContact O-CA 3.25Å; S391-P413 WeakPolarHBondContact O-CA 3.43Å; S391-P413 VanDerWaalsContact O-CB 3.29Å; S391-P413 WeakPolarHBondContact O-CB 3.46Å; P413-T433 WeakPolarHBondContact CB-OG1 3.38Å; P413-T433 PolarHBondContact O-N 3.06Å; P413-T433 PolarHBondContact O-OG1 2.86Å
414	M	90.3	Very high	92.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.1	178.8	-64.2	-165.1	-67.6	0	0	111	S391 M410 C417 A428 S431 L432 T433 A439 Q441	S391-M414 WeakPolarHBondContact CB-O 3.18Å; M410-M414 HydrophobicContact CE-CB 3.9Å; M410-M414 HydrophobicContact CE-CE 4.08Å; M410-M414 HydrophobicContact CE-CG 4.22Å; M410-M414 HydrophobicContact SD-CE 3.31Å; M410-M414 WeakPolarHBondContact SD-CE 3.34Å; M414-C417 HydrophobicContact CB-CB 3.86Å; M414-C417 HydrophobicContact CE-CB 4.1Å; M414-A428 HydrophobicContact CE-CB 3.31Å; M414-S431 CarbonylContact C-O 3.58Å; M414-S431 WeakPolarHBondContact CA-O 3.4Å; M414-S431 VanDerWaalsContact CB-O 3.28Å; M414-S431 WeakPolarHBondContact CB-O 3.41Å; M414-L432 HydrophobicContact CG-CD2 4Å; M414-L432 HydrophobicContact SD-CD2 4.4Å; M414-T433 PolarHBondContact N-OG1 3.32Å; M414-A439 HydrophobicContact SD-CB 4.28Å; M414-Q441 HydrophobicContact CE-CB 4.22Å; M414-Q441 HydrophobicContact CE-CG 4.38Å; M414-Q441 PolarHBondContact SD-NE2 3.28Å; M414-Q441 VanDerWaalsContact SD-NE2 3.35Å
415	D	84.9	Confident	92.7	Very high	62 Å²	62	40.1 Å²	40.1	33%	0.332	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.3	173.1	-61.2	-19	0	0	0	109.4	C417 S431 T433	D415-C417 PolarHBondContact O-N 2.82Å; D415-S431 PolarHBondContact N-O 3.02Å; D415-S431 PolarHBondContact O-N 3.04Å; D415-T433 WeakPolarHBondContact OD1-CB 3.14Å; D415-T433 WeakPolarHBondContact OD1-CG2 3.28Å; D415-T433 PolarHBondContact OD1-OG1 3.21Å; D415-T433 WeakPolarHBondContact OD2-CA 3.47Å
416	N	81.9	Confident	92.6	Very high	49 Å²	49	35.6 Å²	35.6	26%	0.262	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.9	35.1	179.1	-53.1	-26.8	0	0	0	114.5	F463 T464	N416-F463 WeakPolarHBondContact CB-O 3.4Å; N416-F463 WeakPolarHBondContact ND2-CD2 3.43Å; N416-F463 VanDerWaalsContact ND2-CE2 3.28Å; N416-F463 WeakPolarHBondContact ND2-CE2 3.39Å; N416-F463 PolarHBondContact ND2-O 3.08Å; N416-T464 HydrophobicContact CB-CG2 4.21Å
417	C	88.4	Confident	92.6	Very high	13 Å²	13	33.1 Å²	33.1	9%	0.088	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	145.3	-178.9	76	0	0	0	0	111.7	M414 D415 I429	M414-C417 HydrophobicContact CB-CB 3.86Å; M414-C417 HydrophobicContact CE-CB 4.1Å; D415-C417 PolarHBondContact O-N 2.82Å; C417-I429 WeakPolarHBondContact CA-O 3.43Å
418	S	92.6	Very high	92.5	Very high	13 Å²	13	32.2 Å²	32.2	9%	0.091	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.9	167.3	179.4	0	0	0	0	109.2	A428 I429 P465 T467	S418-A428 WeakPolarHBondContact O-CA 3.42Å; S418-I429 PolarHBondContact N-O 2.91Å; S418-I429 PolarHBondContact O-N 3.45Å; S418-P465 WeakPolarHBondContact CB-O 3.37Å; S418-T467 WeakPolarHBondContact CB-OG1 3.16Å; S418-T467 PolarHBondContact OG-N 2.85Å; S418-T467 PolarHBondContact OG-OG1 3.49Å
419	T	94.9	Very high	92.4	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.049	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.8	178.4	69.6	0	0	0	0	112.5	S378 V389 Y427 A428	S378-T419 WeakPolarHBondContact CB-OG1 3.47Å; S378-T419 WeakPolarHBondContact OG-CB 3.38Å; S378-T419 PolarHBondContact OG-N 2.79Å; S378-T419 PolarHBondContact OG-OG1 3.24Å; V389-T419 HydrophobicContact CB-CG2 3.72Å; V389-T419 HydrophobicContact CG1-CG2 3.88Å; V389-T419 HydrophobicContact CG2-CG2 4.05Å; T419-Y427 CarbonylContact C-O 3.59Å; T419-Y427 WeakPolarHBondContact CA-O 3.43Å; T419-A428 HydrophobicContact CG2-CB 3.7Å
420	T	95.5	Very high	92.2	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.7	172.9	-167.4	0	0	0	0	111	C380 Y427 T469 I474	C380-T420 VanDerWaalsContact SG-C 3.58Å; C380-T420 VanDerWaalsContact SG-CA 3.59Å; T420-Y427 PolarHBondContact N-O 2.9Å; T420-Y427 PolarHBondContact O-N 3.49Å; T420-T469 WeakPolarHBondContact CG2-OG1 3.4Å; T420-T469 PolarHBondContact OG1-N 2.9Å; T420-T469 PolarHBondContact OG1-OG1 3.02Å; T420-I474 HydrophobicContact CG2-CB 4.41Å; T420-I474 HydrophobicContact CG2-CD1 4.08Å; T420-I474 HydrophobicContact CG2-CG1 3.98Å; T420-I474 HydrophobicContact CG2-CG2 3.73Å
421	A	95.2	Very high	92	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.9	173.7	0	0	0	0	0	109.1	C380 V381 L382 R425 L426 T469	C380-A421 PolarHBondContact SG-N 3.02Å; V381-A421 WeakPolarHBondContact O-CB 3.27Å; L382-A421 HydrophobicContact CB-CB 4.46Å; L382-A421 HydrophobicContact CD1-CB 4.42Å; A421-R425 CarbonylContact C-O 3.58Å; A421-R425 WeakPolarHBondContact CA-O 3.5Å; A421-L426 HydrophobicContact CB-CD2 3.94Å; A421-T469 WeakPolarHBondContact O-CB 3.47Å; A421-T469 WeakPolarHBondContact O-CG2 3.34Å; A421-T469 PolarHBondContact O-OG1 3Å
422	C	95.1	Very high	91.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	130.7	177.6	-170.7	0	0	0	0	111	D272 G424 R425 Y427 T469 G472 I474	D272-C422 WeakPolarHBondContact OD1-CA 3.45Å; C422-G424 PolarHBondContact O-N 3.44Å; C422-G424 VanDerWaalsContact O-N 3.11Å; C422-R425 PolarHBondContact N-O 2.96Å; C422-R425 PolarHBondContact O-N 2.53Å; C422-R425 VanDerWaalsContact O-N 3.11Å; C422-Y427 HydrophobicContact CB-CD2 4.01Å; C422-Y427 HydrophobicContact CB-CE2 4.02Å; C422-Y427 WeakPolarHBondContact O-CE2 3.36Å; C422-T469 HydrophobicContact CB-CG2 3.89Å; C422-G472 VanDerWaalsContact SG-C 3.52Å; C422-G472 PolarHBondContact SG-O 2.81Å; C422-I474 HydrophobicContact CB-CD1 3.79Å; C422-I474 HydrophobicContact CB-CG1 3.68Å
423	N	91.4	Very high	91.6	Very high	43 Å²	43	23.3 Å²	23.3	23%	0.23	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	38.1	178.6	-68.7	-59.9	0	0	0	113.2	D272 G472	D272-N423 PolarHBondContact OD1-N 3.01Å; D272-N423 PolarHBondContact OD2-N 2.89Å; N423-G472 PolarHBondContact ND2-O 3.18Å
424	G	91.1	Very high	91.1	Very high	12 Å²	12	23.7 Å²	23.7	12%	0.124	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	14.8	176.4	0	0	0	0	0	116.2	C422	C422-G424 PolarHBondContact O-N 3.44Å; C422-G424 VanDerWaalsContact O-N 3.11Å
425	R	95.1	Very high	90.7	Very high	87 Å²	87	28.6 Å²	28.6	33%	0.328	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.5	173.2	-67.2	174.9	177.6	-97.7	-17.4	110.1	A421 C422 Y427 D444	A421-R425 CarbonylContact C-O 3.58Å; A421-R425 WeakPolarHBondContact CA-O 3.5Å; C422-R425 PolarHBondContact N-O 2.96Å; C422-R425 PolarHBondContact O-N 2.53Å; C422-R425 VanDerWaalsContact O-N 3.11Å; R425-Y427 HydrophobicContact CB-CD2 4.42Å; R425-Y427 HydrophobicContact CB-CE2 3.8Å; R425-D444 IonicContact CZ-OD2 3.71Å; R425-D444 IonicContact NH1-OD2 3.78Å; R425-D444 PolarHBondContact NH1-OD2 2.92Å; R425-D444 IonicContact NH2-OD2 2.65Å; R425-D444 PolarHBondContact NH2-OD2 2.75Å
426	L	96.3	Very high	90.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	142.8	163.6	-57.9	173	0	0	0	109	C380 L382 Y387 V389 A421 S442 Y443	C380-L426 HydrophobicContact CB-CD2 4.12Å; L382-L426 HydrophobicContact CB-CD2 3.73Å; L382-L426 HydrophobicContact CB-CG 4.2Å; L382-L426 HydrophobicContact CD2-CD2 4.24Å; L382-L426 HydrophobicContact CD2-CG 3.83Å; L382-L426 HydrophobicContact CG-CD2 4.49Å; Y387-L426 HydrophobicContact CD1-CD1 3.76Å; Y387-L426 HydrophobicContact CD2-CD1 4.32Å; Y387-L426 HydrophobicContact CE1-CD1 4.34Å; Y387-L426 HydrophobicContact CG-CD1 3.73Å; V389-L426 HydrophobicContact CG2-CD1 4.33Å; A421-L426 HydrophobicContact CB-CD2 3.94Å; L426-S442 CarbonylContact O-C 3.55Å; L426-S442 WeakPolarHBondContact O-CA 3.47Å; L426-Y443 HydrophobicContact CD1-CD1 4.04Å; L426-Y443 HydrophobicContact CG-CD1 4.42Å; L426-Y443 PolarHBondContact N-O 2.9Å; L426-Y443 PolarHBondContact O-N 3.1Å
427	Y	96.1	Very high	90.5	Very high	19 Å²	19	33.4 Å²	33.4	8%	0.075	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.9	169.8	-69.5	-95.6	0	0	0	107.7	T419 T420 C422 R425 V440 Q441 V453 I474 Y487 P489	T419-Y427 CarbonylContact C-O 3.59Å; T419-Y427 WeakPolarHBondContact CA-O 3.43Å; T420-Y427 PolarHBondContact N-O 2.9Å; T420-Y427 PolarHBondContact O-N 3.49Å; C422-Y427 HydrophobicContact CB-CD2 4.01Å; C422-Y427 HydrophobicContact CB-CE2 4.02Å; C422-Y427 WeakPolarHBondContact O-CE2 3.36Å; R425-Y427 HydrophobicContact CB-CD2 4.42Å; R425-Y427 HydrophobicContact CB-CE2 3.8Å; Y427-V440 HydrophobicContact CD1-CG1 4.08Å; Y427-Q441 CarbonylContact C-O 3.54Å; Y427-Q441 WeakPolarHBondContact CA-O 3.42Å; Y427-V453 HydrophobicContact CD1-CG2 4.28Å; Y427-V453 HydrophobicContact CE1-CG2 4.12Å; Y427-I474 HydrophobicContact CD1-CD1 4Å; Y427-I474 HydrophobicContact CD2-CD1 3.49Å; Y427-I474 VanDerWaalsContact CD2-CD1 3.49Å; Y427-I474 HydrophobicContact CE2-CD1 4.09Å; Y427-I474 HydrophobicContact CG-CD1 3.44Å; Y427-I474 VanDerWaalsContact CG-CD1 3.44Å; Y427-Y487 HydrophobicContact CE1-CE1 4.38Å; Y427-P489 HydrophobicContact CE2-CG 4.43Å
428	A	95.1	Very high	90.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.1	171	0	0	0	0	0	108.3	M410 M414 S418 T419 V440 Q441 W450	M410-A428 HydrophobicContact SD-CB 3.81Å; M414-A428 HydrophobicContact CE-CB 3.31Å; S418-A428 WeakPolarHBondContact O-CA 3.42Å; T419-A428 HydrophobicContact CG2-CB 3.7Å; A428-V440 WeakPolarHBondContact O-CA 3.46Å; A428-Q441 PolarHBondContact N-O 3.48Å; A428-Q441 PolarHBondContact O-N 2.98Å; A428-W450 HydrophobicContact CB-CH2 3.99Å; A428-W450 HydrophobicContact CB-CZ3 3.81Å
429	I	93.4	Very high	90.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.8	-177	-49.6	-172.5	0	0	0	107.7	C417 S418 M438 V440 T467 I474 F476 W494	C417-I429 WeakPolarHBondContact CA-O 3.43Å; S418-I429 PolarHBondContact N-O 2.91Å; S418-I429 PolarHBondContact O-N 3.45Å; I429-M438 HydrophobicContact CG2-CE 3.89Å; I429-V440 HydrophobicContact CD1-CG2 4.32Å; I429-V440 HydrophobicContact CG1-CG1 4.14Å; I429-V440 HydrophobicContact CG1-CG2 4.04Å; I429-V440 HydrophobicContact CG2-CG2 4.12Å; I429-T467 HydrophobicContact CB-CG2 4.04Å; I429-T467 HydrophobicContact CD1-CG2 3.93Å; I429-T467 HydrophobicContact CG1-CG2 4.22Å; I429-I474 HydrophobicContact CD1-CG2 3.89Å; I429-F476 HydrophobicContact CG2-CD2 3.86Å; I429-F476 HydrophobicContact CG2-CE2 3.71Å; I429-W494 HydrophobicContact CD1-CH2 4.18Å
430	G	90.5	Very high	90.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-169.4	-176.4	0	0	0	0	0	111.7	M438 A439	G430-M438 CarbonylContact O-C 3.58Å; G430-M438 WeakPolarHBondContact O-CA 3.41Å; G430-A439 PolarHBondContact N-O 3.39Å; G430-A439 PolarHBondContact O-N 3.36Å
431	S	89.1	Confident	90.4	Very high	7 Å²	7	32.4 Å²	32.4	5%	0.049	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.8	176.7	-58.7	0	0	0	0	110.1	M414 D415 T437 W461	M414-S431 CarbonylContact C-O 3.58Å; M414-S431 WeakPolarHBondContact CA-O 3.4Å; M414-S431 VanDerWaalsContact CB-O 3.28Å; M414-S431 WeakPolarHBondContact CB-O 3.41Å; D415-S431 PolarHBondContact N-O 3.02Å; D415-S431 PolarHBondContact O-N 3.04Å; S431-T437 WeakPolarHBondContact CA-O 3.24Å; S431-W461 PolarHBondContact OG-NE1 2.99Å
432	L	88.4	Confident	90.4	Very high	30 Å²	30	32.6 Å²	32.6	16%	0.157	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.2	171.1	-63.2	179.3	0	0	0	109.7	H412 M414 G434 E435 T437 A439	H412-L432 HydrophobicContact CB-CD2 3.73Å; M414-L432 HydrophobicContact CG-CD2 4Å; M414-L432 HydrophobicContact SD-CD2 4.4Å; L432-G434 PolarHBondContact O-N 3.35Å; L432-E435 HydrophobicContact CB-CB 4.3Å; L432-E435 PolarHBondContact O-N 2.81Å; L432-T437 PolarHBondContact N-O 3.46Å; L432-A439 HydrophobicContact CD1-CB 4.3Å; L432-A439 HydrophobicContact CD2-CB 3.55Å; L432-A439 HydrophobicContact CG-CB 3.76Å
433	T	86.4	Confident	90.6	Very high	68 Å²	68	32.7 Å²	32.7	42%	0.417	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	124.2	-176.8	-63.7	0	0	0	0	111.2	P413 M414 D415 E435	P413-T433 WeakPolarHBondContact CB-OG1 3.38Å; P413-T433 PolarHBondContact O-N 3.06Å; P413-T433 PolarHBondContact O-OG1 2.86Å; M414-T433 PolarHBondContact N-OG1 3.32Å; D415-T433 WeakPolarHBondContact OD1-CB 3.14Å; D415-T433 WeakPolarHBondContact OD1-CG2 3.28Å; D415-T433 PolarHBondContact OD1-OG1 3.21Å; D415-T433 WeakPolarHBondContact OD2-CA 3.47Å; T433-E435 VanDerWaalsContact C-N 3.33Å
434	G	82.4	Confident	90.7	Very high	75 Å²	75	31.5 Å²	31.5	77%	0.773	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	6.1	-178.3	0	0	0	0	0	115.7	L432	L432-G434 PolarHBondContact O-N 3.35Å
435	E	81.1	Confident	90.9	Very high	105 Å²	105	32 Å²	32	49%	0.491	19%	0.187	S	C	.	.	S	Bend	trans	-129.3	147.8	174.3	-58.6	-173.2	-179.3	0	0	111.1	L432 T433 T437	L432-E435 HydrophobicContact CB-CB 4.3Å; L432-E435 PolarHBondContact O-N 2.81Å; T433-E435 VanDerWaalsContact C-N 3.33Å; E435-T437 PolarHBondContact O-N 2.93Å; E435-T437 PolarHBondContact OE2-OG1 3.06Å
436	D	77.9	Confident	90.8	Very high	135 Å²	135	35.3 Å²	35.3	72%	0.722	21%	0.207	S	C	*	.	S	Bend	trans	-82.7	15.2	170.7	-61.3	-30.1	0	0	0	112.2
437	T	83.5	Confident	90.7	Very high	76 Å²	76	39.2 Å²	39.2	47%	0.466	23%	0.231	S	C	.	.			trans	-86.4	114.8	-179.2	-46.4	0	0	0	0	109.7	S431 L432 E435	S431-T437 WeakPolarHBondContact CA-O 3.24Å; L432-T437 PolarHBondContact N-O 3.46Å; E435-T437 PolarHBondContact O-N 2.93Å; E435-T437 PolarHBondContact OE2-OG1 3.06Å
438	M	88.3	Confident	90.7	Very high	13 Å²	13	41.4 Å²	41.4	6%	0.064	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	145.7	168.8	-70.2	-63.5	-62.1	0	0	110.4	I429 G430 L458 W461 P465 F476	I429-M438 HydrophobicContact CG2-CE 3.89Å; G430-M438 CarbonylContact O-C 3.58Å; G430-M438 WeakPolarHBondContact O-CA 3.41Å; M438-L458 HydrophobicContact CB-CB 4.45Å; M438-L458 HydrophobicContact CB-CD1 4.15Å; M438-L458 WeakPolarHBondContact O-CD1 3.31Å; M438-W461 HydrophobicContact CG-CB 4.36Å; M438-P465 HydrophobicContact CE-CG 4.49Å; M438-F476 HydrophobicContact CE-CE2 3.81Å; M438-F476 HydrophobicContact CE-CZ 3.77Å
439	A	91.8	Very high	90.8	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.8	176.2	0	0	0	0	0	111.3	M414 G430 L432 M452	M414-A439 HydrophobicContact SD-CB 4.28Å; G430-A439 PolarHBondContact N-O 3.39Å; G430-A439 PolarHBondContact O-N 3.36Å; L432-A439 HydrophobicContact CD1-CB 4.3Å; L432-A439 HydrophobicContact CD2-CB 3.55Å; L432-A439 HydrophobicContact CG-CB 3.76Å; A439-M452 HydrophobicContact CB-CE 4.14Å
440	V	94.6	Very high	90.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125	172.7	-177.5	0	0	0	0	109.1	Y427 A428 I429 V453 L458 W494	Y427-V440 HydrophobicContact CD1-CG1 4.08Å; A428-V440 WeakPolarHBondContact O-CA 3.46Å; I429-V440 HydrophobicContact CD1-CG2 4.32Å; I429-V440 HydrophobicContact CG1-CG1 4.14Å; I429-V440 HydrophobicContact CG1-CG2 4.04Å; I429-V440 HydrophobicContact CG2-CG2 4.12Å; V440-V453 HydrophobicContact CB-CB 3.98Å; V440-V453 HydrophobicContact CG1-CB 3.76Å; V440-V453 HydrophobicContact CG1-CG1 4.27Å; V440-V453 HydrophobicContact CG1-CG2 3.85Å; V440-V453 PolarHBondContact O-N 2.98Å; V440-L458 HydrophobicContact CG2-CD2 3.71Å; V440-W494 HydrophobicContact CG2-CZ2 4.24Å
441	Q	95.3	Very high	91.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.8	173.9	-71.3	-178.6	80.2	0	0	109.3	H412 M414 Y427 A428 W450 T451 M452	H412-Q441 PolarHBondContact O-NE2 2.89Å; M414-Q441 HydrophobicContact CE-CB 4.22Å; M414-Q441 HydrophobicContact CE-CG 4.38Å; M414-Q441 PolarHBondContact SD-NE2 3.28Å; M414-Q441 VanDerWaalsContact SD-NE2 3.35Å; Y427-Q441 CarbonylContact C-O 3.54Å; Y427-Q441 WeakPolarHBondContact CA-O 3.42Å; A428-Q441 PolarHBondContact N-O 3.48Å; A428-Q441 PolarHBondContact O-N 2.98Å; Q441-W450 HydrophobicContact CB-CE3 3.86Å; Q441-W450 HydrophobicContact CB-CZ3 4.13Å; Q441-T451 CarbonylContact C-O 3.59Å; Q441-T451 WeakPolarHBondContact CA-O 3.49Å; Q441-M452 HydrophobicContact CG-CE 4.48Å; Q441-M452 HydrophobicContact CG-SD 3.43Å; Q441-M452 WeakPolarHBondContact CG-SD 3.35Å
442	S	96.6	Very high	91.5	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.5	175.8	76.9	0	0	0	0	111.7	L426 W450 T451	L426-S442 CarbonylContact O-C 3.55Å; L426-S442 WeakPolarHBondContact O-CA 3.47Å; S442-W450 CarbonylContact O-C 3.56Å; S442-W450 WeakPolarHBondContact O-CA 3.31Å; S442-T451 PolarHBondContact N-O 2.75Å; S442-T451 PolarHBondContact O-N 3.02Å; S442-T451 PolarHBondContact O-OG1 2.88Å; S442-T451 PolarHBondContact OG-OG1 3.03Å
443	Y	97.2	Very high	91.8	Very high	1 Å²	1	56 Å²	56	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.7	175.8	177.5	-103.6	0	0	0	110.5	Y387 L426 A445 N448 W450	Y387-Y443 HydrophobicContact CE1-CD1 4.4Å; Y387-Y443 AromaticContact CE1-CE1 3.73Å; Y387-Y443 HydrophobicContact CE1-CE1 3.73Å; L426-Y443 HydrophobicContact CD1-CD1 4.04Å; L426-Y443 HydrophobicContact CG-CD1 4.42Å; L426-Y443 PolarHBondContact N-O 2.9Å; L426-Y443 PolarHBondContact O-N 3.1Å; Y443-A445 HydrophobicContact CE1-CB 3.96Å; Y443-N448 PolarHBondContact OH-OD1 3.08Å; Y443-W450 AromaticContact CD2-CD1 3.66Å; Y443-W450 HydrophobicContact CD2-CD2 4Å; Y443-W450 AromaticContact CD2-CE2 3.75Å; Y443-W450 AromaticContact CD2-CG 3.97Å; Y443-W450 HydrophobicContact CD2-CG 3.97Å; Y443-W450 HydrophobicContact CD2-CZ2 4.38Å; Y443-W450 AromaticContact CD2-NE1 3.52Å; Y443-W450 HydrophobicContact CG-CD2 4.26Å; Y443-W450 AromaticContact CG-CE2 3.97Å; Y443-W450 HydrophobicContact CG-CZ2 4.19Å
444	D	95.6	Very high	92	Very high	18 Å²	18	59.3 Å²	59.3	10%	0.096	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.9	174.9	-174	-31.7	0	0	0	109.6	R425 E446 T447 N448 R449	R425-D444 IonicContact CZ-OD2 3.71Å; R425-D444 IonicContact NH1-OD2 3.78Å; R425-D444 PolarHBondContact NH1-OD2 2.92Å; R425-D444 IonicContact NH2-OD2 2.65Å; R425-D444 PolarHBondContact NH2-OD2 2.75Å; D444-E446 VanDerWaalsContact C-N 3.25Å; D444-E446 PolarHBondContact O-N 3.46Å; D444-E446 WeakPolarHBondContact OD1-CB 3.5Å; D444-E446 PolarHBondContact OD1-N 2.65Å; D444-T447 WeakPolarHBondContact CB-OG1 3.11Å; D444-T447 PolarHBondContact O-N 3Å; D444-T447 PolarHBondContact OD1-N 3.37Å; D444-N448 WeakPolarHBondContact O-CA 3.42Å; D444-N448 PolarHBondContact O-N 2.97Å; D444-R449 PolarHBondContact N-O 2.84Å; D444-R449 PolarHBondContact O-N 2.84Å
445	A	93.5	Very high	92.1	Very high	22 Å²	22	56.2 Å²	56.2	18%	0.182	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.2	-178.8	0	0	0	0	0	113.9	L382 K383 Y443	L382-A445 HydrophobicContact CD2-CB 3.86Å; K383-A445 HydrophobicContact CD-CB 4.49Å; Y443-A445 HydrophobicContact CE1-CB 3.96Å
446	E	93.2	Very high	92.2	Very high	157 Å²	157	54 Å²	54	73%	0.734	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-39.1	178.3	-61.5	178.9	-174.6	0	0	111.2	K383 D444	K383-E446 IonicContact NZ-OE1 3.7Å; K383-E446 PolarHBondContact NZ-OE1 3.34Å; D444-E446 VanDerWaalsContact C-N 3.25Å; D444-E446 PolarHBondContact O-N 3.46Å; D444-E446 WeakPolarHBondContact OD1-CB 3.5Å; D444-E446 PolarHBondContact OD1-N 2.65Å
447	T	95.2	Very high	92.5	Very high	83 Å²	83	56.1 Å²	56.1	51%	0.509	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-11.2	177.3	65.9	0	0	0	0	113.2	D444 R449	D444-T447 WeakPolarHBondContact CB-OG1 3.11Å; D444-T447 PolarHBondContact O-N 3Å; D444-T447 PolarHBondContact OD1-N 3.37Å; T447-R449 WeakPolarHBondContact O-CG 3.21Å
448	N	95.3	Very high	92.6	Very high	64 Å²	64	55.1 Å²	55.1	34%	0.342	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	46.9	-174.8	-169.2	18.8	0	0	0	112.1	P408 Y443 D444	P408-N448 WeakPolarHBondContact CD-OD1 3.23Å; Y443-N448 PolarHBondContact OH-OD1 3.08Å; D444-N448 WeakPolarHBondContact O-CA 3.42Å; D444-N448 PolarHBondContact O-N 2.97Å
449	R	96.6	Very high	92.4	Very high	169 Å²	169	55 Å²	55	64%	0.638	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.4	-174.6	-67.7	-177.8	76.3	175	3.6	113.1	D444 T447	D444-R449 PolarHBondContact N-O 2.84Å; D444-R449 PolarHBondContact O-N 2.84Å; T447-R449 WeakPolarHBondContact O-CG 3.21Å
450	W	96.9	Very high	92	Very high	8 Å²	8	58 Å²	58	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	145.4	165.1	-71.7	95.8	0	0	0	111.2	V389 T394 P408 G409 M410 L411 A428 Q441 S442 Y443	V389-W450 HydrophobicContact CG1-CH2 3.92Å; V389-W450 HydrophobicContact CG1-CZ2 3.88Å; V389-W450 HydrophobicContact CG2-CH2 4.33Å; V389-W450 HydrophobicContact CG2-CZ2 4.21Å; T394-W450 HydrophobicContact CG2-CZ2 4.29Å; T394-W450 PolarHBondContact OG1-NE1 2.92Å; P408-W450 PolarHBondContact O-NE1 3.17Å; G409-W450 VanDerWaalsContact C-CD1 3.43Å; M410-W450 HydrophobicContact CB-CD2 4.48Å; M410-W450 HydrophobicContact CG-CD2 3.92Å; M410-W450 HydrophobicContact CG-CE3 4.08Å; M410-W450 HydrophobicContact CG-CH2 4.04Å; M410-W450 HydrophobicContact CG-CZ2 3.87Å; M410-W450 HydrophobicContact CG-CZ3 4.14Å; M410-W450 HydrophobicContact SD-CH2 4.41Å; L411-W450 WeakPolarHBondContact CD1-O 3.37Å; L411-W450 HydrophobicContact CG-CB 3.99Å; A428-W450 HydrophobicContact CB-CH2 3.99Å; A428-W450 HydrophobicContact CB-CZ3 3.81Å; Q441-W450 HydrophobicContact CB-CE3 3.86Å; Q441-W450 HydrophobicContact CB-CZ3 4.13Å; S442-W450 CarbonylContact O-C 3.56Å; S442-W450 WeakPolarHBondContact O-CA 3.31Å; Y443-W450 AromaticContact CD2-CD1 3.66Å; Y443-W450 HydrophobicContact CD2-CD2 4Å; Y443-W450 AromaticContact CD2-CE2 3.75Å; Y443-W450 AromaticContact CD2-CG 3.97Å; Y443-W450 HydrophobicContact CD2-CG 3.97Å; Y443-W450 HydrophobicContact CD2-CZ2 4.38Å; Y443-W450 AromaticContact CD2-NE1 3.52Å; Y443-W450 HydrophobicContact CG-CD2 4.26Å; Y443-W450 AromaticContact CG-CE2 3.97Å; Y443-W450 HydrophobicContact CG-CZ2 4.19Å
451	T	96.7	Very high	91.6	Very high	61 Å²	61	62.9 Å²	62.9	37%	0.374	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.3	177.9	54.6	0	0	0	0	110.2	Q441 S442	Q441-T451 CarbonylContact C-O 3.59Å; Q441-T451 WeakPolarHBondContact CA-O 3.49Å; S442-T451 PolarHBondContact N-O 2.75Å; S442-T451 PolarHBondContact O-N 3.02Å; S442-T451 PolarHBondContact O-OG1 2.88Å; S442-T451 PolarHBondContact OG-OG1 3.03Å
452	M	95.1	Very high	91.1	Very high	86 Å²	86	62.9 Å²	62.9	42%	0.424	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.6	171.3	-72.2	-60.9	-60.4	0	0	110.4	L411 A439 Q441	L411-M452 HydrophobicContact CD1-CG 4.35Å; A439-M452 HydrophobicContact CB-CE 4.14Å; Q441-M452 HydrophobicContact CG-CE 4.48Å; Q441-M452 HydrophobicContact CG-SD 3.43Å; Q441-M452 WeakPolarHBondContact CG-SD 3.35Å
453	V	94.2	Very high	90.4	Very high	23 Å²	23	68 Å²	68	14%	0.139	35%	0.353	C	S	.	.			trans	-97.1	114.9	173.7	-177.7	0	0	0	0	108.5	Y427 V440 C455 Y487	Y427-V453 HydrophobicContact CD1-CG2 4.28Å; Y427-V453 HydrophobicContact CE1-CG2 4.12Å; V440-V453 HydrophobicContact CB-CB 3.98Å; V440-V453 HydrophobicContact CG1-CB 3.76Å; V440-V453 HydrophobicContact CG1-CG1 4.27Å; V440-V453 HydrophobicContact CG1-CG2 3.85Å; V440-V453 PolarHBondContact O-N 2.98Å; V453-C455 HydrophobicContact CG1-CB 4.24Å; V453-C455 PolarHBondContact O-N 3.4Å; V453-Y487 WeakPolarHBondContact CG1-OH 3.47Å
454	N	90.9	Very high	89.6	Confident	136 Å²	136	69.4 Å²	69.4	73%	0.727	36%	0.361	S	S	*	.			trans	-89.7	88.6	175.3	-174.6	1.3	0	0	0	110.1	N492	N454-N492 PolarHBondContact O-ND2 2.9Å; N454-N492 PolarHBondContact O-OD1 2.79Å
455	C	85.4	Confident	89.2	Confident	10 Å²	10	68.7 Å²	68.7	7%	0.068	36%	0.358	C	S	.	.			trans	-103.2	21.1	-177.4	54	0	0	0	0	114	V453 Q457 L458 Y487 N492 W494	V453-C455 HydrophobicContact CG1-CB 4.24Å; V453-C455 PolarHBondContact O-N 3.4Å; C455-Q457 PolarHBondContact O-N 2.96Å; C455-L458 WeakPolarHBondContact SG-CD2 3.27Å; C455-Y487 HydrophobicContact CB-CD2 4.35Å; C455-Y487 HydrophobicContact CB-CE2 3.54Å; C455-N492 WeakPolarHBondContact CA-OD1 3.03Å; C455-N492 WeakPolarHBondContact CB-OD1 3.42Å; C455-W494 PolarHBondContact SG-NE1 3.24Å
456	G	83.1	Confident	89.1	Confident	59 Å²	59	71.7 Å²	71.7	61%	0.608	37%	0.367	S	S	*	.	S	Bend	trans	69.7	-126.4	177.3	0	0	0	0	0	113.1	L458	G456-L458 PolarHBondContact O-N 2.94Å
457	Q	83.3	Confident	89.2	Confident	180 Å²	180	64.6 Å²	64.6	84%	0.841	33%	0.334	S	S	*	.	S	Bend	trans	-79.1	112.1	-177.8	-173.1	172.9	-8.7	0	0	110.4	C455	C455-Q457 PolarHBondContact O-N 2.96Å
458	L	85.3	Confident	89.2	Confident	55 Å²	55	61.5 Å²	61.5	29%	0.288	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-74.8	156.1	177	-74.2	165.9	0	0	0	111.9	M438 V440 C455 G456 W494	M438-L458 HydrophobicContact CB-CB 4.45Å; M438-L458 HydrophobicContact CB-CD1 4.15Å; M438-L458 WeakPolarHBondContact O-CD1 3.31Å; V440-L458 HydrophobicContact CG2-CD2 3.71Å; C455-L458 WeakPolarHBondContact SG-CD2 3.27Å; G456-L458 PolarHBondContact O-N 2.94Å; L458-W494 HydrophobicContact CD2-CZ2 4.16Å
459	P	83.9	Confident	89.2	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.071	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-59.1	158.7	168.1	27.4	-35	0	0	0	110.7	F476 D485 W494	P459-F476 HydrophobicContact CB-CD1 4.03Å; P459-F476 HydrophobicContact CB-CE1 3.94Å; P459-F476 HydrophobicContact CG-CD1 3.87Å; P459-F476 HydrophobicContact CG-CE1 3.81Å; P459-F476 HydrophobicContact CG-CG 4.34Å; P459-F476 HydrophobicContact CG-CZ 4.26Å; P459-D485 HydrophobicContact CB-CB 4.1Å; P459-W494 HydrophobicContact CG-CE3 4.31Å; P459-W494 HydrophobicContact CG-CH2 3.94Å; P459-W494 HydrophobicContact CG-CZ2 4.31Å; P459-W494 HydrophobicContact CG-CZ3 3.94Å
460	P	84.9	Confident	89.1	Confident	67 Å²	67	50.5 Å²	50.5	44%	0.435	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-56.5	154.4	175.1	-21.1	32.5	0	0	0	111.9
461	W	86.1	Confident	89	Confident	104 Å²	104	53.6 Å²	53.6	39%	0.394	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-52.8	141.6	172.7	-177.4	89.1	0	0	0	111.4	S431 M438 F463	S431-W461 PolarHBondContact OG-NE1 2.99Å; M438-W461 HydrophobicContact CG-CB 4.36Å; W461-F463 HydrophobicContact CH2-CB 3.73Å; W461-F463 AromaticContact CH2-CD2 3.77Å; W461-F463 HydrophobicContact CH2-CD2 3.77Å; W461-F463 HydrophobicContact CH2-CG 4.23Å; W461-F463 HydrophobicContact CZ2-CB 4.25Å; W461-F463 AromaticContact CZ2-CD2 3.9Å; W461-F463 HydrophobicContact CZ2-CD2 3.9Å; W461-F463 HydrophobicContact CZ3-CB 4.21Å
462	S	84.1	Confident	88.8	Confident	1 Å²	1	51 Å²	51	1%	0.007	27%	0.271	C	S	.	.			trans	-140.5	143.2	173.8	164.8	0	0	0	0	107.1	D479	S462-D479 PolarHBondContact OG-N 2.96Å; S462-D479 PolarHBondContact OG-OD1 2.74Å
463	F	81.3	Confident	88.9	Confident	113 Å²	113	49.2 Å²	49.2	50%	0.496	26%	0.263	S	S	.	.	S	Bend	trans	-69.9	-53.4	-171.8	-178.2	-111.5	0	0	0	110.9	N416 W461 D479	N416-F463 WeakPolarHBondContact CB-O 3.4Å; N416-F463 WeakPolarHBondContact ND2-CD2 3.43Å; N416-F463 VanDerWaalsContact ND2-CE2 3.28Å; N416-F463 WeakPolarHBondContact ND2-CE2 3.39Å; N416-F463 PolarHBondContact ND2-O 3.08Å; W461-F463 HydrophobicContact CH2-CB 3.73Å; W461-F463 AromaticContact CH2-CD2 3.77Å; W461-F463 HydrophobicContact CH2-CD2 3.77Å; W461-F463 HydrophobicContact CH2-CG 4.23Å; W461-F463 HydrophobicContact CZ2-CB 4.25Å; W461-F463 AromaticContact CZ2-CD2 3.9Å; W461-F463 HydrophobicContact CZ2-CD2 3.9Å; W461-F463 HydrophobicContact CZ3-CB 4.21Å; F463-D479 PolarHBondContact N-OD1 2.94Å
464	T	81.9	Confident	89	Confident	30 Å²	30	48.1 Å²	48.1	18%	0.184	26%	0.256	C	S	.	.	S	Bend	trans	-129.9	68.1	178.2	53.8	0	0	0	0	111.8	N416 D479	N416-T464 HydrophobicContact CB-CG2 4.21Å; T464-D479 WeakPolarHBondContact CA-OD2 3.44Å; T464-D479 PolarHBondContact N-OD2 3.09Å; T464-D479 PolarHBondContact OG1-OD2 2.79Å
465	P	85.5	Confident	89.2	Confident	3 Å²	3	42 Å²	42	2%	0.019	22%	0.223	C	C	.	.			trans	-62.5	151.9	-177.5	27.9	-35.3	0	0	0	111.2	S418 M438 F476	S418-P465 WeakPolarHBondContact CB-O 3.37Å; M438-P465 HydrophobicContact CE-CG 4.49Å; P465-F476 HydrophobicContact CB-CD2 3.96Å; P465-F476 HydrophobicContact CB-CE1 4.32Å; P465-F476 HydrophobicContact CB-CE2 3.16Å; P465-F476 HydrophobicContact CB-CZ 3.38Å; P465-F476 HydrophobicContact CG-CE2 3.65Å; P465-F476 HydrophobicContact CG-CZ 3.97Å
466	K	92.3	Very high	89.6	Confident	85 Å²	85	41.5 Å²	41.5	37%	0.37	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.7	172.2	-55.4	-62.5	-177.4	-165.7	0	110.5	V477 V509	K466-V477 PolarHBondContact N-O 2.92Å; K466-V477 PolarHBondContact O-N 2.89Å; K466-V509 HydrophobicContact CB-CB 4.47Å; K466-V509 HydrophobicContact CB-CG1 3.31Å; K466-V509 HydrophobicContact CG-CG1 4.1Å
467	T	94.3	Very high	90.1	Very high	9 Å²	9	39 Å²	39	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.2	179	62.4	0	0	0	0	111.4	S418 I429 Y475 F476	S418-T467 WeakPolarHBondContact CB-OG1 3.16Å; S418-T467 PolarHBondContact OG-N 2.85Å; S418-T467 PolarHBondContact OG-OG1 3.49Å; I429-T467 HydrophobicContact CB-CG2 4.04Å; I429-T467 HydrophobicContact CD1-CG2 3.93Å; I429-T467 HydrophobicContact CG1-CG2 4.22Å; T467-Y475 VanDerWaalsContact CA-O 3.27Å; T467-Y475 WeakPolarHBondContact CA-O 3.39Å; T467-F476 HydrophobicContact CG2-CD2 3.9Å
468	V	95.4	Very high	90.4	Very high	17 Å²	17	32 Å²	32	10%	0.103	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.5	175.5	-70.8	0	0	0	0	110.6	Y475 V509 V511 L516	V468-Y475 PolarHBondContact N-O 2.93Å; V468-Y475 VanDerWaalsContact N-O 3.09Å; V468-Y475 PolarHBondContact O-N 3.43Å; V468-V509 HydrophobicContact CG1-CB 4.43Å; V468-V509 HydrophobicContact CG1-CG1 3.69Å; V468-V509 HydrophobicContact CG1-CG2 4.05Å; V468-V509 HydrophobicContact CG2-CG2 3.78Å; V468-V511 HydrophobicContact CB-CG2 3.9Å; V468-V511 HydrophobicContact CG1-CG2 4.49Å; V468-V511 HydrophobicContact CG2-CG2 4.13Å; V468-L516 HydrophobicContact CG2-CD2 3.79Å
469	T	95.3	Very high	90.4	Very high	3 Å²	3	30 Å²	30	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.3	179.7	-61.2	0	0	0	0	111.4	H271 D272 T420 A421 C422 L473 V511	H271-T469 VanDerWaalsContact CB-O 3.24Å; H271-T469 WeakPolarHBondContact CB-O 3.4Å; D272-T469 WeakPolarHBondContact OD1-CG2 3.44Å; T420-T469 WeakPolarHBondContact CG2-OG1 3.4Å; T420-T469 PolarHBondContact OG1-N 2.9Å; T420-T469 PolarHBondContact OG1-OG1 3.02Å; A421-T469 WeakPolarHBondContact O-CB 3.47Å; A421-T469 WeakPolarHBondContact O-CG2 3.34Å; A421-T469 PolarHBondContact O-OG1 3Å; C422-T469 HydrophobicContact CB-CG2 3.89Å; T469-L473 WeakPolarHBondContact CA-O 3.47Å; T469-V511 WeakPolarHBondContact O-CG2 3.42Å
470	L	95.4	Very high	90.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	131.7	171.7	170.9	64	0	0	0	109.8	H271 P274 G472 L473 Y475 V511 L516 P537	H271-L470 CarbonylContact O-C 3.58Å; H271-L470 WeakPolarHBondContact O-CA 3.35Å; P274-L470 HydrophobicContact CG-CD1 4.42Å; L470-G472 PolarHBondContact O-N 2.95Å; L470-L473 PolarHBondContact N-O 3.25Å; L470-L473 WeakPolarHBondContact O-CB 3.43Å; L470-L473 PolarHBondContact O-N 2.9Å; L470-Y475 HydrophobicContact CB-CD2 4.07Å; L470-Y475 HydrophobicContact CB-CE2 3.7Å; L470-Y475 HydrophobicContact CD2-CE2 4.35Å; L470-Y475 HydrophobicContact CG-CE2 4.27Å; L470-V511 HydrophobicContact CB-CG1 4.23Å; L470-V511 HydrophobicContact CB-CG2 4.46Å; L470-V511 HydrophobicContact CD1-CG1 3.81Å; L470-V511 HydrophobicContact CD2-CG1 4.39Å; L470-V511 HydrophobicContact CG-CG1 4.36Å; L470-L516 HydrophobicContact CB-CD2 3.94Å; L470-L516 HydrophobicContact CD2-CD2 3.63Å; L470-L516 HydrophobicContact CD2-CG 3.96Å; L470-L516 HydrophobicContact CG-CD2 4.44Å; L470-P537 HydrophobicContact CD2-CG 4.17Å
471	N	93.6	Very high	90.7	Very high	73 Å²	73	31 Å²	31	39%	0.39	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	31.2	-179.2	-60.4	-43.5	0	0	0	113.9	H271 D272 P274 L473	H271-N471 PolarHBondContact O-N 2.99Å; D272-N471 CarbonylContact O-C 3.55Å; D272-N471 WeakPolarHBondContact O-CA 3.43Å; P274-N471 VanDerWaalsContact CD-OD1 3.28Å; P274-N471 WeakPolarHBondContact CD-OD1 3.2Å; P274-N471 WeakPolarHBondContact CG-OD1 3.26Å; N471-L473 PolarHBondContact O-N 3.16Å
472	G	93.9	Very high	91	Very high	5 Å²	5	27.1 Å²	27.1	5%	0.052	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	17.7	-179.6	0	0	0	0	0	113.1	D272 C422 N423 L470	D272-G472 WeakPolarHBondContact O-CA 3.36Å; D272-G472 PolarHBondContact O-N 3.18Å; C422-G472 VanDerWaalsContact SG-C 3.52Å; C422-G472 PolarHBondContact SG-O 2.81Å; N423-G472 PolarHBondContact ND2-O 3.18Å; L470-G472 PolarHBondContact O-N 2.95Å
473	L	95.8	Very high	91.4	Very high	49 Å²	49	30 Å²	30	26%	0.257	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150	171.6	-56.1	176.5	0	0	0	109	T469 L470 N471 Y475 V486 Y487	T469-L473 WeakPolarHBondContact CA-O 3.47Å; L470-L473 PolarHBondContact N-O 3.25Å; L470-L473 WeakPolarHBondContact O-CB 3.43Å; L470-L473 PolarHBondContact O-N 2.9Å; N471-L473 PolarHBondContact O-N 3.16Å; L473-Y475 HydrophobicContact CB-CE2 3.99Å; L473-V486 HydrophobicContact CB-CG2 3.72Å; L473-V486 HydrophobicContact CD1-CG2 4.03Å; L473-V486 HydrophobicContact CG-CG2 4.4Å; L473-Y487 WeakPolarHBondContact CA-O 3.45Å
474	I	96.3	Very high	92.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.8	176.8	-62	177	0	0	0	107.7	T420 C422 Y427 I429 V486 Y487 P489	T420-I474 HydrophobicContact CG2-CB 4.41Å; T420-I474 HydrophobicContact CG2-CD1 4.08Å; T420-I474 HydrophobicContact CG2-CG1 3.98Å; T420-I474 HydrophobicContact CG2-CG2 3.73Å; C422-I474 HydrophobicContact CB-CD1 3.79Å; C422-I474 HydrophobicContact CB-CG1 3.68Å; Y427-I474 HydrophobicContact CD1-CD1 4Å; Y427-I474 HydrophobicContact CD2-CD1 3.49Å; Y427-I474 VanDerWaalsContact CD2-CD1 3.49Å; Y427-I474 HydrophobicContact CE2-CD1 4.09Å; Y427-I474 HydrophobicContact CG-CD1 3.44Å; Y427-I474 VanDerWaalsContact CG-CD1 3.44Å; I429-I474 HydrophobicContact CD1-CG2 3.89Å; I474-V486 CarbonylContact O-C 3.49Å; I474-V486 WeakPolarHBondContact O-CA 3.31Å; I474-Y487 HydrophobicContact CB-CD1 4.5Å; I474-Y487 HydrophobicContact CD1-CD1 4.19Å; I474-Y487 PolarHBondContact N-O 2.9Å; I474-Y487 PolarHBondContact O-N 2.82Å; I474-P489 HydrophobicContact CD1-CG 3.92Å; I474-P489 HydrophobicContact CG1-CG 4.17Å
475	Y	96.1	Very high	92.7	Very high	8 Å²	8	23.6 Å²	23.6	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.3	175.5	-67.9	-96	0	0	0	109.2	T467 V468 L470 L473 V484 V486 I497 L516 Y535	T467-Y475 VanDerWaalsContact CA-O 3.27Å; T467-Y475 WeakPolarHBondContact CA-O 3.39Å; V468-Y475 PolarHBondContact N-O 2.93Å; V468-Y475 VanDerWaalsContact N-O 3.09Å; V468-Y475 PolarHBondContact O-N 3.43Å; L470-Y475 HydrophobicContact CB-CD2 4.07Å; L470-Y475 HydrophobicContact CB-CE2 3.7Å; L470-Y475 HydrophobicContact CD2-CE2 4.35Å; L470-Y475 HydrophobicContact CG-CE2 4.27Å; L473-Y475 HydrophobicContact CB-CE2 3.99Å; Y475-V484 HydrophobicContact CD1-CG1 4.42Å; Y475-V486 HydrophobicContact CD1-CB 4Å; Y475-V486 HydrophobicContact CD1-CG2 3.87Å; Y475-V486 HydrophobicContact CD2-CG2 4.32Å; Y475-V486 HydrophobicContact CE1-CB 4.08Å; Y475-V486 HydrophobicContact CE1-CG2 3.76Å; Y475-V486 HydrophobicContact CE2-CG2 4.18Å; Y475-V486 HydrophobicContact CG-CG2 4.18Å; Y475-I497 HydrophobicContact CD1-CD1 4.11Å; Y475-I497 HydrophobicContact CE1-CD1 4.09Å; Y475-I497 HydrophobicContact CE1-CG2 4.46Å; Y475-L516 HydrophobicContact CD1-CD1 3.45Å; Y475-L516 VanDerWaalsContact CD1-CD1 3.45Å; Y475-L516 HydrophobicContact CD2-CD1 4.12Å; Y475-L516 HydrophobicContact CD2-CD2 4.13Å; Y475-L516 HydrophobicContact CE1-CD1 3.87Å; Y475-L516 HydrophobicContact CG-CD1 3.57Å; Y475-L516 HydrophobicContact CG-CD2 4.29Å; Y475-Y535 HydrophobicContact CE1-CE1 4.17Å
476	F	94.7	Very high	93.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	101.3	178.8	179.7	-97.5	0	0	0	108.2	I429 M438 P459 P465 T467 R478 D485 W494	I429-F476 HydrophobicContact CG2-CD2 3.86Å; I429-F476 HydrophobicContact CG2-CE2 3.71Å; M438-F476 HydrophobicContact CE-CE2 3.81Å; M438-F476 HydrophobicContact CE-CZ 3.77Å; P459-F476 HydrophobicContact CB-CD1 4.03Å; P459-F476 HydrophobicContact CB-CE1 3.94Å; P459-F476 HydrophobicContact CG-CD1 3.87Å; P459-F476 HydrophobicContact CG-CE1 3.81Å; P459-F476 HydrophobicContact CG-CG 4.34Å; P459-F476 HydrophobicContact CG-CZ 4.26Å; P465-F476 HydrophobicContact CB-CD2 3.96Å; P465-F476 HydrophobicContact CB-CE1 4.32Å; P465-F476 HydrophobicContact CB-CE2 3.16Å; P465-F476 HydrophobicContact CB-CZ 3.38Å; P465-F476 HydrophobicContact CG-CE2 3.65Å; P465-F476 HydrophobicContact CG-CZ 3.97Å; T467-F476 HydrophobicContact CG2-CD2 3.9Å; F476-R478 HydrophobicContact CD1-CG 3.93Å; F476-R478 HydrophobicContact CE1-CG 3.59Å; F476-D485 HydrophobicContact CB-CB 4.35Å; F476-D485 HydrophobicContact CD1-CB 4.32Å; F476-D485 PolarHBondContact N-O 3.28Å; F476-D485 PolarHBondContact O-N 3.47Å; F476-W494 HydrophobicContact CB-CH2 4.2Å; F476-W494 HydrophobicContact CB-CZ3 3.86Å; F476-W494 HydrophobicContact CG-CZ3 4.44Å
477	V	93.6	Very high	93.3	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.042	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.9	178.2	-176.3	0	0	0	0	107.9	K466 V484 M500 V509 V518	K466-V477 PolarHBondContact N-O 2.92Å; K466-V477 PolarHBondContact O-N 2.89Å; V477-V484 HydrophobicContact CG1-CG2 4.28Å; V477-V484 HydrophobicContact CG2-CG1 3.98Å; V477-V484 HydrophobicContact CG2-CG2 4.22Å; V477-M500 HydrophobicContact CG1-CE 3.81Å; V477-M500 HydrophobicContact CG1-SD 3.84Å; V477-V509 HydrophobicContact CG2-CG2 4.27Å; V477-V518 HydrophobicContact CG1-CG2 4.49Å
478	R	89.4	Confident	93.4	Very high	32 Å²	32	20.3 Å²	20.3	12%	0.121	11%	0.111	C	C	.	.			trans	-77.9	146.2	178.7	-58.3	-163.4	-61.9	160.3	5.8	110.3	F476 S481	F476-R478 HydrophobicContact CD1-CG 3.93Å; F476-R478 HydrophobicContact CE1-CG 3.59Å; R478-S481 PolarHBondContact NE-OG 2.93Å; R478-S481 PolarHBondContact NH2-OG 2.81Å
479	D	84.1	Confident	93.3	Very high	14 Å²	14	20.7 Å²	20.7	8%	0.075	11%	0.114	C	C	.	.	S	Bend	trans	-84.1	-30.4	177	67.8	-21	0	0	0	112.9	S462 F463 T464 V503 V505	S462-D479 PolarHBondContact OG-N 2.96Å; S462-D479 PolarHBondContact OG-OD1 2.74Å; F463-D479 PolarHBondContact N-OD1 2.94Å; T464-D479 WeakPolarHBondContact CA-OD2 3.44Å; T464-D479 PolarHBondContact N-OD2 3.09Å; T464-D479 PolarHBondContact OG1-OD2 2.79Å; D479-V503 WeakPolarHBondContact O-CG1 3.48Å; D479-V505 WeakPolarHBondContact O-CA 3.09Å; D479-V505 VanDerWaalsContact O-CG2 3.31Å; D479-V505 WeakPolarHBondContact O-CG2 3.48Å
480	D	84.7	Confident	93.1	Very high	79 Å²	79	27.6 Å²	27.6	42%	0.422	15%	0.146	S	C	.	.	S	Bend	trans	-89.1	-3.4	-172.6	69.1	-4.6	0	0	0	114.6
481	S	90.8	Very high	93	Very high	19 Å²	19	34.2 Å²	34.2	13%	0.133	18%	0.175	C	C	.	.	S	Bend	trans	-161.9	167.7	-171.6	60.2	0	0	0	0	112.5	R478 E483 M500	R478-S481 PolarHBondContact NE-OG 2.93Å; R478-S481 PolarHBondContact NH2-OG 2.81Å; S481-E483 VanDerWaalsContact C-N 3.28Å; S481-E483 PolarHBondContact O-N 2.86Å; S481-M500 WeakPolarHBondContact O-CE 3.38Å
482	A	92.6	Very high	92.9	Very high	22 Å²	22	34.2 Å²	34.2	18%	0.182	18%	0.175	C	C	.	.	S	Bend	trans	-82.4	-3.9	179.7	0	0	0	0	0	113.6	P499 M500 V503	A482-P499 HydrophobicContact CB-CB 4.23Å; A482-P499 CarbonylContact O-C 3.48Å; A482-P499 WeakPolarHBondContact O-CA 3.43Å; A482-P499 WeakPolarHBondContact O-CB 3.49Å; A482-M500 HydrophobicContact CB-CB 3.95Å; A482-M500 WeakPolarHBondContact O-CB 3.28Å; A482-M500 PolarHBondContact O-N 2.81Å; A482-V503 HydrophobicContact CB-CG2 4.36Å
483	E	93.1	Very high	92.9	Very high	61 Å²	61	39 Å²	39	29%	0.285	20%	0.196	S	C	.	.			trans	-77.3	142.9	-175.5	-61.8	-83.1	135.2	0	0	110.9	S481 K496	S481-E483 VanDerWaalsContact C-N 3.28Å; S481-E483 PolarHBondContact O-N 2.86Å; E483-K496 IonicContact OE2-NZ 3.2Å; E483-K496 PolarHBondContact OE2-NZ 3.36Å
484	V	94.9	Very high	92.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.8	177.4	-177	0	0	0	0	109	Y475 V477 I497 M500 W542	Y475-V484 HydrophobicContact CD1-CG1 4.42Å; V477-V484 HydrophobicContact CG1-CG2 4.28Å; V477-V484 HydrophobicContact CG2-CG1 3.98Å; V477-V484 HydrophobicContact CG2-CG2 4.22Å; V484-I497 HydrophobicContact CB-CD1 3.89Å; V484-I497 HydrophobicContact CB-CG1 3.7Å; V484-I497 HydrophobicContact CG1-CD1 3.7Å; V484-I497 HydrophobicContact CG1-CG1 3.86Å; V484-I497 WeakPolarHBondContact O-CG1 3.23Å; V484-I497 PolarHBondContact O-N 3.3Å; V484-I497 VanDerWaalsContact O-N 3.16Å; V484-M500 HydrophobicContact CG2-CE 4.41Å; V484-M500 HydrophobicContact CG2-CG 4.03Å; V484-M500 HydrophobicContact CG2-SD 4.29Å; V484-W542 HydrophobicContact CG2-CZ2 3.91Å
485	D	94.8	Very high	92.7	Very high	9 Å²	9	43 Å²	43	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.2	175.4	-62.8	-86.1	0	0	0	109.1	P459 F476 W494 K496	P459-D485 HydrophobicContact CB-CB 4.1Å; F476-D485 HydrophobicContact CB-CB 4.35Å; F476-D485 HydrophobicContact CD1-CB 4.32Å; F476-D485 PolarHBondContact N-O 3.28Å; F476-D485 PolarHBondContact O-N 3.47Å; D485-W494 HydrophobicContact CB-CE3 3.93Å; D485-W494 HydrophobicContact CB-CZ3 3.99Å; D485-K496 VanDerWaalsContact OD1-CE 3.24Å; D485-K496 WeakPolarHBondContact OD1-CE 3.21Å; D485-K496 VanDerWaalsContact OD1-CG 3.26Å; D485-K496 WeakPolarHBondContact OD1-CG 3.35Å
486	V	95.6	Very high	92.5	Very high	11 Å²	11	48.5 Å²	48.5	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.7	178.2	64.1	0	0	0	0	109.8	L473 I474 Y475 W494 D495 I497	L473-V486 HydrophobicContact CB-CG2 3.72Å; L473-V486 HydrophobicContact CD1-CG2 4.03Å; L473-V486 HydrophobicContact CG-CG2 4.4Å; I474-V486 CarbonylContact O-C 3.49Å; I474-V486 WeakPolarHBondContact O-CA 3.31Å; Y475-V486 HydrophobicContact CD1-CB 4Å; Y475-V486 HydrophobicContact CD1-CG2 3.87Å; Y475-V486 HydrophobicContact CD2-CG2 4.32Å; Y475-V486 HydrophobicContact CE1-CB 4.08Å; Y475-V486 HydrophobicContact CE1-CG2 3.76Å; Y475-V486 HydrophobicContact CE2-CG2 4.18Å; Y475-V486 HydrophobicContact CG-CG2 4.18Å; V486-W494 CarbonylContact O-C 3.33Å; V486-W494 WeakPolarHBondContact O-CA 3.32Å; V486-D495 HydrophobicContact CG1-CB 3.75Å; V486-D495 PolarHBondContact N-O 2.92Å; V486-D495 PolarHBondContact O-N 3.17Å; V486-I497 HydrophobicContact CB-CG2 4.4Å; V486-I497 HydrophobicContact CG1-CG2 3.84Å
487	Y	95.7	Very high	92.6	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.4	178.5	177.2	-118.1	0	0	0	110.3	Y427 V453 C455 L473 I474 P489 N492 E493 W494	Y427-Y487 HydrophobicContact CE1-CE1 4.38Å; V453-Y487 WeakPolarHBondContact CG1-OH 3.47Å; C455-Y487 HydrophobicContact CB-CD2 4.35Å; C455-Y487 HydrophobicContact CB-CE2 3.54Å; L473-Y487 WeakPolarHBondContact CA-O 3.45Å; I474-Y487 HydrophobicContact CB-CD1 4.5Å; I474-Y487 HydrophobicContact CD1-CD1 4.19Å; I474-Y487 PolarHBondContact N-O 2.9Å; I474-Y487 PolarHBondContact O-N 2.82Å; Y487-P489 HydrophobicContact CD1-CG 3.96Å; Y487-P489 HydrophobicContact CE1-CB 4.08Å; Y487-P489 HydrophobicContact CE1-CG 3.86Å; Y487-P489 WeakPolarHBondContact O-CD 3.46Å; Y487-N492 PolarHBondContact OH-OD1 2.81Å; Y487-E493 WeakPolarHBondContact CD2-O 3.43Å; Y487-W494 AromaticContact CD2-CD1 3.73Å; Y487-W494 AromaticContact CD2-CD2 3.89Å; Y487-W494 HydrophobicContact CD2-CD2 3.89Å; Y487-W494 AromaticContact CD2-CE2 3.61Å; Y487-W494 AromaticContact CD2-CG 3.96Å; Y487-W494 HydrophobicContact CD2-CG 3.96Å; Y487-W494 HydrophobicContact CD2-CZ2 4.19Å; Y487-W494 AromaticContact CD2-NE1 3.48Å; Y487-W494 AromaticContact CE2-NE1 3.96Å; Y487-W494 HydrophobicContact CG-CD2 4.18Å; Y487-W494 AromaticContact CG-CE2 3.86Å; Y487-W494 HydrophobicContact CG-CH2 4.41Å; Y487-W494 AromaticContact CG-CZ2 3.99Å; Y487-W494 HydrophobicContact CG-CZ2 3.99Å
488	S	94.8	Very high	92.6	Very high	14 Å²	14	51.9 Å²	51.9	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	104.2	171.3	-174.7	0	0	0	0	110.1	Q490 K491 N492 E493	S488-Q490 PolarHBondContact O-N 2.81Å; S488-K491 PolarHBondContact O-N 2.79Å; S488-N492 WeakPolarHBondContact O-CA 3.41Å; S488-N492 PolarHBondContact O-N 2.79Å; S488-E493 PolarHBondContact N-O 2.91Å; S488-E493 PolarHBondContact O-N 3.4Å
489	P	93.3	Very high	92.9	Very high	24 Å²	24	53.4 Å²	53.4	16%	0.156	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.5	177.3	-24.2	34	0	0	0	114	Y427 I474 Y487	Y427-P489 HydrophobicContact CE2-CG 4.43Å; I474-P489 HydrophobicContact CD1-CG 3.92Å; I474-P489 HydrophobicContact CG1-CG 4.17Å; Y487-P489 HydrophobicContact CD1-CG 3.96Å; Y487-P489 HydrophobicContact CE1-CB 4.08Å; Y487-P489 HydrophobicContact CE1-CG 3.86Å; Y487-P489 WeakPolarHBondContact O-CD 3.46Å
490	Q	92.1	Very high	93.4	Very high	149 Å²	149	53.1 Å²	53.1	70%	0.696	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-38.8	179	-65.9	-176.5	7.6	0	0	112.5	S488	S488-Q490 PolarHBondContact O-N 2.81Å
491	K	92.6	Very high	93.8	Very high	139 Å²	139	54.7 Å²	54.7	60%	0.604	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-18.8	178.6	-61.7	-178.1	-178.7	178.4	0	112.9	S488 E493	S488-K491 PolarHBondContact O-N 2.79Å; K491-E493 VanDerWaalsContact C-N 3.31Å; K491-E493 HydrophobicContact CB-CB 4.16Å; K491-E493 HydrophobicContact CB-CG 4.14Å
492	N	92.9	Very high	93.9	Very high	73 Å²	73	55.2 Å²	55.2	39%	0.39	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	43.9	-169.8	-168.4	41.9	0	0	0	112.1	N454 C455 Y487 S488	N454-N492 PolarHBondContact O-ND2 2.9Å; N454-N492 PolarHBondContact O-OD1 2.79Å; C455-N492 WeakPolarHBondContact CA-OD1 3.03Å; C455-N492 WeakPolarHBondContact CB-OD1 3.42Å; Y487-N492 PolarHBondContact OH-OD1 2.81Å; S488-N492 WeakPolarHBondContact O-CA 3.41Å; S488-N492 PolarHBondContact O-N 2.79Å
493	E	93.7	Very high	93.9	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.6	-175.7	-71.2	173.6	166.6	0	0	110.3	Y487 S488 K491	Y487-E493 WeakPolarHBondContact CD2-O 3.43Å; S488-E493 PolarHBondContact N-O 2.91Å; S488-E493 PolarHBondContact O-N 3.4Å; K491-E493 VanDerWaalsContact C-N 3.31Å; K491-E493 HydrophobicContact CB-CB 4.16Å; K491-E493 HydrophobicContact CB-CG 4.14Å
494	W	93.9	Very high	94	Very high	40 Å²	40	52.6 Å²	52.6	15%	0.152	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.7	170.7	-74.2	92.9	0	0	0	109.9	I429 V440 C455 L458 P459 F476 D485 V486 Y487	I429-W494 HydrophobicContact CD1-CH2 4.18Å; V440-W494 HydrophobicContact CG2-CZ2 4.24Å; C455-W494 PolarHBondContact SG-NE1 3.24Å; L458-W494 HydrophobicContact CD2-CZ2 4.16Å; P459-W494 HydrophobicContact CG-CE3 4.31Å; P459-W494 HydrophobicContact CG-CH2 3.94Å; P459-W494 HydrophobicContact CG-CZ2 4.31Å; P459-W494 HydrophobicContact CG-CZ3 3.94Å; F476-W494 HydrophobicContact CB-CH2 4.2Å; F476-W494 HydrophobicContact CB-CZ3 3.86Å; F476-W494 HydrophobicContact CG-CZ3 4.44Å; D485-W494 HydrophobicContact CB-CE3 3.93Å; D485-W494 HydrophobicContact CB-CZ3 3.99Å; V486-W494 CarbonylContact O-C 3.33Å; V486-W494 WeakPolarHBondContact O-CA 3.32Å; Y487-W494 AromaticContact CD2-CD1 3.73Å; Y487-W494 AromaticContact CD2-CD2 3.89Å; Y487-W494 HydrophobicContact CD2-CD2 3.89Å; Y487-W494 AromaticContact CD2-CE2 3.61Å; Y487-W494 AromaticContact CD2-CG 3.96Å; Y487-W494 HydrophobicContact CD2-CG 3.96Å; Y487-W494 HydrophobicContact CD2-CZ2 4.19Å; Y487-W494 AromaticContact CD2-NE1 3.48Å; Y487-W494 AromaticContact CE2-NE1 3.96Å; Y487-W494 HydrophobicContact CG-CD2 4.18Å; Y487-W494 AromaticContact CG-CE2 3.86Å; Y487-W494 HydrophobicContact CG-CH2 4.41Å; Y487-W494 AromaticContact CG-CZ2 3.99Å; Y487-W494 HydrophobicContact CG-CZ2 3.99Å
495	D	93.3	Very high	94	Very high	95 Å²	95	55.2 Å²	55.2	51%	0.508	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	165.6	173.3	-77.6	-45	0	0	0	109.6	V486	V486-D495 HydrophobicContact CG1-CB 3.75Å; V486-D495 PolarHBondContact N-O 2.92Å; V486-D495 PolarHBondContact O-N 3.17Å
496	K	93	Very high	93.8	Very high	123 Å²	123	55 Å²	55	54%	0.535	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.1	171.5	-75.6	-170.4	168.8	-153	0	111.2	E483 D485	E483-K496 IonicContact OE2-NZ 3.2Å; E483-K496 PolarHBondContact OE2-NZ 3.36Å; D485-K496 VanDerWaalsContact OD1-CE 3.24Å; D485-K496 WeakPolarHBondContact OD1-CE 3.21Å; D485-K496 VanDerWaalsContact OD1-CG 3.26Å; D485-K496 WeakPolarHBondContact OD1-CG 3.35Å
497	I	95.1	Very high	93.7	Very high	25 Å²	25	54.9 Å²	54.9	13%	0.128	28%	0.283	C	S	.	.			trans	-106	173.8	170.1	64.8	161.6	0	0	0	110.7	Y475 V484 V486 Y535 W542	Y475-I497 HydrophobicContact CD1-CD1 4.11Å; Y475-I497 HydrophobicContact CE1-CD1 4.09Å; Y475-I497 HydrophobicContact CE1-CG2 4.46Å; V484-I497 HydrophobicContact CB-CD1 3.89Å; V484-I497 HydrophobicContact CB-CG1 3.7Å; V484-I497 HydrophobicContact CG1-CD1 3.7Å; V484-I497 HydrophobicContact CG1-CG1 3.86Å; V484-I497 WeakPolarHBondContact O-CG1 3.23Å; V484-I497 PolarHBondContact O-N 3.3Å; V484-I497 VanDerWaalsContact O-N 3.16Å; V486-I497 HydrophobicContact CB-CG2 4.4Å; V486-I497 HydrophobicContact CG1-CG2 3.84Å; I497-Y535 HydrophobicContact CB-CE2 4.43Å; I497-Y535 HydrophobicContact CD1-CD1 4Å; I497-Y535 HydrophobicContact CD1-CD2 4.05Å; I497-Y535 HydrophobicContact CD1-CE1 3.74Å; I497-Y535 HydrophobicContact CD1-CE2 3.8Å; I497-Y535 HydrophobicContact CD1-CG 4.14Å; I497-W542 HydrophobicContact CD1-CZ2 4.34Å
498	S	94.1	Very high	93.7	Very high	53 Å²	53	55.2 Å²	55.2	37%	0.371	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-54.1	137.1	173.9	-60	0	0	0	0	110.7	R540 W542	S498-R540 PolarHBondContact OG-O 2.87Å; S498-W542 PolarHBondContact O-NE1 2.99Å
499	P	95.1	Very high	93.8	Very high	63 Å²	63	55.3 Å²	55.3	41%	0.409	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-67.3	152.7	176.7	29.2	-34.8	0	0	0	110.8	A482	A482-P499 HydrophobicContact CB-CB 4.23Å; A482-P499 CarbonylContact O-C 3.48Å; A482-P499 WeakPolarHBondContact O-CA 3.43Å; A482-P499 WeakPolarHBondContact O-CB 3.49Å
500	M	95.4	Very high	93.9	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.044	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-53.9	157	168.4	-76.6	-174.4	-52.1	0	0	111.6	V477 S481 A482 V484 Q502 V518 E533 W542	V477-M500 HydrophobicContact CG1-CE 3.81Å; V477-M500 HydrophobicContact CG1-SD 3.84Å; S481-M500 WeakPolarHBondContact O-CE 3.38Å; A482-M500 HydrophobicContact CB-CB 3.95Å; A482-M500 WeakPolarHBondContact O-CB 3.28Å; A482-M500 PolarHBondContact O-N 2.81Å; V484-M500 HydrophobicContact CG2-CE 4.41Å; V484-M500 HydrophobicContact CG2-CG 4.03Å; V484-M500 HydrophobicContact CG2-SD 4.29Å; M500-Q502 VanDerWaalsContact C-N 3.25Å; M500-Q502 VanDerWaalsContact CB-O 3.27Å; M500-Q502 WeakPolarHBondContact CB-O 3.47Å; M500-Q502 PolarHBondContact O-N 3.37Å; M500-V518 HydrophobicContact SD-CB 4.16Å; M500-V518 HydrophobicContact SD-CG1 3.97Å; M500-V518 HydrophobicContact SD-CG2 3.86Å; M500-E533 WeakPolarHBondContact CB-OE1 3.46Å; M500-E533 WeakPolarHBondContact CG-OE1 3.47Å; M500-W542 HydrophobicContact CG-CD2 4.03Å; M500-W542 HydrophobicContact CG-CE3 4.17Å; M500-W542 HydrophobicContact CG-CH2 3.71Å; M500-W542 HydrophobicContact CG-CZ2 3.55Å; M500-W542 HydrophobicContact CG-CZ3 4.02Å; M500-W542 HydrophobicContact SD-CH2 4.15Å; M500-W542 HydrophobicContact SD-CZ2 4.45Å
501	N	93.7	Very high	94.1	Very high	112 Å²	112	47.7 Å²	47.7	60%	0.599	25%	0.25	S	C	*	.	S	Bend	trans	-74.3	-22.6	179	-62.7	-66.3	0	0	0	112	E533 W542	N501-E533 WeakPolarHBondContact CB-OE2 3.28Å; N501-E533 PolarHBondContact N-OE1 2.92Å; N501-E533 PolarHBondContact N-OE2 3Å; N501-E533 PolarHBondContact ND2-OE2 2.7Å; N501-W542 WeakPolarHBondContact ND2-CB 3.45Å
502	Q	92.5	Very high	94.1	Very high	30 Å²	30	41.1 Å²	41.1	14%	0.14	22%	0.221	C	C	.	.	S	Bend	trans	-146.2	169.3	174.4	62.8	173.1	27.4	0	0	110.7	M500 H504 S529	M500-Q502 VanDerWaalsContact C-N 3.25Å; M500-Q502 VanDerWaalsContact CB-O 3.27Å; M500-Q502 WeakPolarHBondContact CB-O 3.47Å; M500-Q502 PolarHBondContact O-N 3.37Å; Q502-H504 WeakPolarHBondContact CG-NE2 3.24Å; Q502-H504 PolarHBondContact NE2-CE1 2.85Å; Q502-H504 PolarHBondContact NE2-NE2 2.99Å; Q502-S529 PolarHBondContact NE2-OG 3.12Å; Q502-S529 PolarHBondContact OE1-OG 3.16Å
503	V	93.5	Very high	93.9	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.115	22%	0.216	C	C	.	.			trans	-79.8	150.8	169.3	-172.5	0	0	0	0	108.7	D479 A482 V505 Y522 D523 N524	D479-V503 WeakPolarHBondContact O-CG1 3.48Å; A482-V503 HydrophobicContact CB-CG2 4.36Å; V503-V505 HydrophobicContact CG1-CG2 3.69Å; V503-Y522 CarbonylContact C-O 3.57Å; V503-D523 WeakPolarHBondContact O-CA 3.26Å; V503-N524 HydrophobicContact CG2-CB 4.21Å
504	H	94.4	Very high	93.8	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.037	20%	0.198	C	C	.	.			trans	-129	62.9	179.5	-76.1	-93.4	0	0	0	110	Q502 G506 G507 V518 G520 V531 E533	Q502-H504 WeakPolarHBondContact CG-NE2 3.24Å; Q502-H504 PolarHBondContact NE2-CE1 2.85Å; Q502-H504 PolarHBondContact NE2-NE2 2.99Å; H504-G506 PolarHBondContact O-N 3.48Å; H504-G507 WeakPolarHBondContact O-CA 3.33Å; H504-G507 PolarHBondContact O-N 2.98Å; H504-V518 HydrophobicContact CB-CG1 3.65Å; H504-V518 VanDerWaalsContact CG-CG1 3.44Å; H504-G520 PolarHBondContact ND1-O 2.81Å; H504-V531 PolarHBondContact CE1-O 2.94Å; H504-E533 IonicContact CD2-OE1 3.5Å; H504-E533 IonicContact NE2-OE1 3.05Å; H504-E533 PolarHBondContact NE2-OE1 3.18Å
505	V	93.6	Very high	93.8	Very high	56 Å²	56	35.8 Å²	35.8	34%	0.339	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-64.4	122.5	-177.3	-171.4	0	0	0	0	109.5	D479 V503 G507 G521 Y522	D479-V505 WeakPolarHBondContact O-CA 3.09Å; D479-V505 VanDerWaalsContact O-CG2 3.31Å; D479-V505 WeakPolarHBondContact O-CG2 3.48Å; V503-V505 HydrophobicContact CG1-CG2 3.69Å; V505-G507 PolarHBondContact O-N 2.82Å; V505-G521 CarbonylContact O-C 3.53Å; V505-G521 WeakPolarHBondContact O-CA 3.48Å; V505-Y522 PolarHBondContact N-O 3.08Å; V505-Y522 PolarHBondContact O-N 2.95Å
506	G	91.3	Very high	94	Very high	4 Å²	4	31.2 Å²	31.2	4%	0.041	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	9.2	-173.5	0	0	0	0	0	114	H504 W554	H504-G506 PolarHBondContact O-N 3.48Å; G506-W554 WeakPolarHBondContact O-CA 3.17Å; G506-W554 PolarHBondContact O-N 2.78Å
507	G	94.4	Very high	94.2	Very high	8 Å²	8	26 Å²	26	8%	0.082	16%	0.158	C	C	.	.			trans	-71.1	-178.5	172.5	0	0	0	0	0	112.5	H504 V505 S519	H504-G507 WeakPolarHBondContact O-CA 3.33Å; H504-G507 PolarHBondContact O-N 2.98Å; V505-G507 PolarHBondContact O-N 2.82Å; G507-S519 VanDerWaalsContact CA-O 3.31Å; G507-S519 WeakPolarHBondContact CA-O 3.48Å
508	S	95	Very high	94.2	Very high	12 Å²	12	24.9 Å²	24.9	8%	0.084	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.5	-176.7	-150.3	0	0	0	0	111.6	V518 S519 H555 S557	S508-V518 WeakPolarHBondContact O-CA 3.29Å; S508-S519 PolarHBondContact N-O 3.3Å; S508-S519 PolarHBondContact O-N 3.47Å; S508-S519 PolarHBondContact O-OG 3.04Å; S508-S519 VanDerWaalsContact O-OG 3.08Å; S508-H555 VanDerWaalsContact CB-CD2 3.48Å; S508-H555 WeakPolarHBondContact CB-CD2 3.32Å; S508-H555 VanDerWaalsContact CB-NE2 3.33Å; S508-H555 WeakPolarHBondContact CB-NE2 3.25Å; S508-H555 WeakPolarHBondContact CB-O 3Å; S508-H555 PolarHBondContact OG-O 3.16Å; S508-S557 WeakPolarHBondContact CB-OG 3.33Å; S508-S557 WeakPolarHBondContact OG-CB 3.37Å; S508-S557 PolarHBondContact OG-N 3.45Å
509	V	96	Very high	94.3	Very high	15 Å²	15	22.4 Å²	22.4	9%	0.091	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.8	-179.1	62.1	0	0	0	0	110.5	K466 V468 V477 F517 V518	K466-V509 HydrophobicContact CB-CB 4.47Å; K466-V509 HydrophobicContact CB-CG1 3.31Å; K466-V509 HydrophobicContact CG-CG1 4.1Å; V468-V509 HydrophobicContact CG1-CB 4.43Å; V468-V509 HydrophobicContact CG1-CG1 3.69Å; V468-V509 HydrophobicContact CG1-CG2 4.05Å; V468-V509 HydrophobicContact CG2-CG2 3.78Å; V477-V509 HydrophobicContact CG2-CG2 4.27Å; V509-F517 CarbonylContact C-O 3.56Å; V509-F517 VanDerWaalsContact CA-O 3.24Å; V509-F517 WeakPolarHBondContact CA-O 3.18Å; V509-V518 HydrophobicContact CB-CG2 4.34Å; V509-V518 HydrophobicContact CG2-CG2 4.07Å
510	A	96.2	Very high	94.3	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.2	173.9	0	0	0	0	0	110.5	L290 F517	L290-A510 HydrophobicContact CD1-CB 3.59Å; A510-F517 PolarHBondContact N-O 3.02Å; A510-F517 PolarHBondContact O-N 3.3Å
511	V	95.5	Very high	94.3	Very high	9 Å²	9	19 Å²	19	6%	0.055	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130	173.1	-169.3	0	0	0	0	109	H271 V468 T469 L470 K515 L516 S559	H271-V511 HydrophobicContact CB-CB 4.33Å; H271-V511 HydrophobicContact CB-CG1 3.95Å; H271-V511 WeakPolarHBondContact CD2-CG1 3.37Å; H271-V511 PolarHBondContact NE2-O 2.92Å; V468-V511 HydrophobicContact CB-CG2 3.9Å; V468-V511 HydrophobicContact CG1-CG2 4.49Å; V468-V511 HydrophobicContact CG2-CG2 4.13Å; T469-V511 WeakPolarHBondContact O-CG2 3.42Å; L470-V511 HydrophobicContact CB-CG1 4.23Å; L470-V511 HydrophobicContact CB-CG2 4.46Å; L470-V511 HydrophobicContact CD1-CG1 3.81Å; L470-V511 HydrophobicContact CD2-CG1 4.39Å; L470-V511 HydrophobicContact CG-CG1 4.36Å; V511-K515 WeakPolarHBondContact CA-O 3.41Å; V511-K515 WeakPolarHBondContact CG1-O 3.31Å; V511-L516 HydrophobicContact CG2-CD2 3.88Å; V511-S559 WeakPolarHBondContact O-CB 3.31Å; V511-S559 PolarHBondContact O-OG 3.21Å
512	L	93.7	Very high	94.3	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	128	-178.4	167.9	66	0	0	0	109.2	E288 L290 Y309 P311 G514 K515 F517	E288-L512 HydrophobicContact CB-CD1 3.88Å; E288-L512 HydrophobicContact CG-CD1 3.58Å; L290-L512 HydrophobicContact CB-CD2 3.8Å; Y309-L512 HydrophobicContact CD1-CD2 4.46Å; P311-L512 HydrophobicContact CB-CD2 4.15Å; P311-L512 HydrophobicContact CG-CD1 4.2Å; P311-L512 HydrophobicContact CG-CD2 3.86Å; P311-L512 HydrophobicContact CG-CG 4.22Å; L512-G514 PolarHBondContact O-N 2.77Å; L512-G514 VanDerWaalsContact O-N 3.1Å; L512-K515 PolarHBondContact N-O 3.49Å; L512-K515 PolarHBondContact O-N 2.74Å; L512-F517 HydrophobicContact CB-CD2 3.68Å; L512-F517 HydrophobicContact CB-CE2 3.69Å; L512-F517 HydrophobicContact CB-CG 4.48Å; L512-F517 HydrophobicContact CD2-CD2 4.28Å; L512-F517 HydrophobicContact CD2-CE1 4.19Å; L512-F517 HydrophobicContact CD2-CE2 3.85Å; L512-F517 HydrophobicContact CD2-CZ 3.81Å; L512-F517 HydrophobicContact CG-CD2 4.36Å; L512-F517 HydrophobicContact CG-CE2 3.92Å; L512-F517 HydrophobicContact CG-CZ 4.32Å
513	G	88.9	Confident	94.3	Very high	26 Å²	26	16.2 Å²	16.2	27%	0.268	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	25.8	174	0	0	0	0	0	114.4	R279 E288	R279-G513 PolarHBondContact NH2-O 3.26Å; E288-G513 PolarHBondContact OE2-N 2.62Å
514	G	91.3	Very high	94	Very high	12 Å²	12	20.8 Å²	20.8	12%	0.124	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	19.7	-175.9	0	0	0	0	0	114.9	L512	L512-G514 PolarHBondContact O-N 2.77Å; L512-G514 VanDerWaalsContact O-N 3.1Å
515	K	94.8	Very high	93.8	Very high	66 Å²	66	24.4 Å²	24.4	29%	0.287	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.5	174.7	-61.3	-172.7	-179.7	-159.8	0	109.8	V511 L512 F517 Y535 D536	V511-K515 WeakPolarHBondContact CA-O 3.41Å; V511-K515 WeakPolarHBondContact CG1-O 3.31Å; L512-K515 PolarHBondContact N-O 3.49Å; L512-K515 PolarHBondContact O-N 2.74Å; K515-F517 HydrophobicContact CB-CD2 4.31Å; K515-F517 HydrophobicContact CB-CE2 3.89Å; K515-Y535 WeakPolarHBondContact CA-O 3.17Å; K515-Y535 VanDerWaalsContact CB-O 3.28Å; K515-Y535 WeakPolarHBondContact CB-O 3.5Å; K515-D536 HydrophobicContact CD-CB 4.27Å; K515-D536 WeakPolarHBondContact CE-OD2 3.36Å; K515-D536 IonicContact NZ-OD2 3.19Å; K515-D536 PolarHBondContact NZ-OD2 2.8Å
516	L	96.6	Very high	93.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.5	169.4	-48.4	174.3	0	0	0	108.2	V468 L470 Y475 V511 A534 Y535	V468-L516 HydrophobicContact CG2-CD2 3.79Å; L470-L516 HydrophobicContact CB-CD2 3.94Å; L470-L516 HydrophobicContact CD2-CD2 3.63Å; L470-L516 HydrophobicContact CD2-CG 3.96Å; L470-L516 HydrophobicContact CG-CD2 4.44Å; Y475-L516 HydrophobicContact CD1-CD1 3.45Å; Y475-L516 VanDerWaalsContact CD1-CD1 3.45Å; Y475-L516 HydrophobicContact CD2-CD1 4.12Å; Y475-L516 HydrophobicContact CD2-CD2 4.13Å; Y475-L516 HydrophobicContact CE1-CD1 3.87Å; Y475-L516 HydrophobicContact CG-CD1 3.57Å; Y475-L516 HydrophobicContact CG-CD2 4.29Å; V511-L516 HydrophobicContact CG2-CD2 3.88Å; L516-A534 CarbonylContact O-C 3.56Å; L516-A534 WeakPolarHBondContact O-CA 3.45Å; L516-Y535 HydrophobicContact CD1-CD1 3.93Å; L516-Y535 HydrophobicContact CD1-CG 4.46Å; L516-Y535 HydrophobicContact CG-CD1 4.3Å; L516-Y535 PolarHBondContact N-O 3.32Å; L516-Y535 PolarHBondContact O-N 3.25Å
517	F	96.9	Very high	93.7	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.9	173.7	-79.8	-108.2	0	0	0	108.6	L290 Y309 V509 A510 L512 K515 V532 E533 A534 A545	L290-F517 HydrophobicContact CD2-CD1 4.45Å; Y309-F517 HydrophobicContact CE1-CE1 4.21Å; V509-F517 CarbonylContact C-O 3.56Å; V509-F517 VanDerWaalsContact CA-O 3.24Å; V509-F517 WeakPolarHBondContact CA-O 3.18Å; A510-F517 PolarHBondContact N-O 3.02Å; A510-F517 PolarHBondContact O-N 3.3Å; L512-F517 HydrophobicContact CB-CD2 3.68Å; L512-F517 HydrophobicContact CB-CE2 3.69Å; L512-F517 HydrophobicContact CB-CG 4.48Å; L512-F517 HydrophobicContact CD2-CD2 4.28Å; L512-F517 HydrophobicContact CD2-CE1 4.19Å; L512-F517 HydrophobicContact CD2-CE2 3.85Å; L512-F517 HydrophobicContact CD2-CZ 3.81Å; L512-F517 HydrophobicContact CG-CD2 4.36Å; L512-F517 HydrophobicContact CG-CE2 3.92Å; L512-F517 HydrophobicContact CG-CZ 4.32Å; K515-F517 HydrophobicContact CB-CD2 4.31Å; K515-F517 HydrophobicContact CB-CE2 3.89Å; F517-V532 HydrophobicContact CD1-CG1 3.84Å; F517-E533 WeakPolarHBondContact CA-O 3.4Å; F517-A534 HydrophobicContact CD1-CB 4.08Å; F517-A534 HydrophobicContact CD2-CB 4.22Å; F517-A534 HydrophobicContact CE1-CB 3.89Å; F517-A534 HydrophobicContact CE2-CB 4.05Å; F517-A534 HydrophobicContact CG-CB 4.24Å; F517-A534 HydrophobicContact CZ-CB 3.87Å; F517-A545 HydrophobicContact CD1-CB 4.24Å; F517-A545 HydrophobicContact CE1-CB 3.7Å
518	V	96.3	Very high	93.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.8	173.1	-173.9	0	0	0	0	108	V477 M500 H504 S508 V509 V532 E533 W542	V477-V518 HydrophobicContact CG1-CG2 4.49Å; M500-V518 HydrophobicContact SD-CB 4.16Å; M500-V518 HydrophobicContact SD-CG1 3.97Å; M500-V518 HydrophobicContact SD-CG2 3.86Å; H504-V518 HydrophobicContact CB-CG1 3.65Å; H504-V518 VanDerWaalsContact CG-CG1 3.44Å; S508-V518 WeakPolarHBondContact O-CA 3.29Å; V509-V518 HydrophobicContact CB-CG2 4.34Å; V509-V518 HydrophobicContact CG2-CG2 4.07Å; V518-V532 WeakPolarHBondContact O-CA 3.25Å; V518-E533 HydrophobicContact CB-CG 4.43Å; V518-E533 PolarHBondContact N-O 3.47Å; V518-E533 PolarHBondContact O-N 3.15Å; V518-W542 HydrophobicContact CB-CZ3 4.35Å; V518-W542 HydrophobicContact CG2-CH2 3.71Å; V518-W542 HydrophobicContact CG2-CZ3 3.75Å
519	S	95.4	Very high	93.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.6	-167.4	53.5	0	0	0	0	112.2	G507 S508 H555 S557	G507-S519 VanDerWaalsContact CA-O 3.31Å; G507-S519 WeakPolarHBondContact CA-O 3.48Å; S508-S519 PolarHBondContact N-O 3.3Å; S508-S519 PolarHBondContact O-N 3.47Å; S508-S519 PolarHBondContact O-OG 3.04Å; S508-S519 VanDerWaalsContact O-OG 3.08Å; S519-H555 PolarHBondContact O-CE1 3.3Å; S519-H555 PolarHBondContact O-NE2 3.35Å; S519-H555 PolarHBondContact OG-NE2 2.87Å; S519-S557 PolarHBondContact OG-OG 2.97Å
520	G	95	Very high	93.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.			trans	63	-153.6	170.1	0	0	0	0	0	114.4	H504 S529 V531 T552	H504-G520 PolarHBondContact ND1-O 2.81Å; G520-S529 WeakPolarHBondContact CA-O 3.17Å; G520-V531 PolarHBondContact N-O 2.87Å; G520-V531 VanDerWaalsContact N-O 3.16Å; G520-T552 CarbonylContact C-O 3.51Å; G520-T552 WeakPolarHBondContact CA-O 3.34Å
521	G	94.7	Very high	93.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	78	-179.8	-176.2	0	0	0	0	0	113.5	V505 S529 T552	V505-G521 CarbonylContact O-C 3.53Å; V505-G521 WeakPolarHBondContact O-CA 3.48Å; G521-S529 VanDerWaalsContact O-CB 3.31Å; G521-S529 WeakPolarHBondContact O-CB 3.19Å; G521-S529 PolarHBondContact O-N 2.87Å; G521-T552 PolarHBondContact N-O 3.26Å
522	Y	94.2	Very high	93.5	Very high	61 Å²	61	36.8 Å²	36.8	24%	0.239	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-88.3	137.8	177.1	-65.2	-91.6	0	0	0	111.4	V503 V505 F526 E527 L528 F553	V503-Y522 CarbonylContact C-O 3.57Å; V505-Y522 PolarHBondContact N-O 3.08Å; V505-Y522 PolarHBondContact O-N 2.95Å; Y522-F526 WeakPolarHBondContact CD1-O 3.36Å; Y522-E527 WeakPolarHBondContact CA-O 3.22Å; Y522-L528 HydrophobicContact CD1-CB 4.22Å; Y522-L528 HydrophobicContact CD1-CD1 4.37Å; Y522-L528 HydrophobicContact CD2-CD1 4.24Å; Y522-L528 HydrophobicContact CE1-CB 3.94Å; Y522-L528 HydrophobicContact CE1-CD1 4.16Å; Y522-L528 HydrophobicContact CE2-CD1 4.02Å; Y522-L528 HydrophobicContact CG-CD1 4.41Å; Y522-F553 HydrophobicContact CD2-CB 4.38Å; Y522-F553 HydrophobicContact CD2-CG 4.36Å; Y522-F553 HydrophobicContact CE2-CB 4.15Å; Y522-F553 AromaticContact CE2-CD1 3.81Å; Y522-F553 HydrophobicContact CE2-CD1 3.81Å; Y522-F553 AromaticContact CE2-CD2 3.83Å; Y522-F553 HydrophobicContact CE2-CD2 3.83Å; Y522-F553 HydrophobicContact CE2-CE1 4.11Å; Y522-F553 HydrophobicContact CE2-CE2 4.13Å; Y522-F553 AromaticContact CE2-CG 3.67Å; Y522-F553 HydrophobicContact CE2-CG 3.67Å; Y522-F553 HydrophobicContact CE2-CZ 4.27Å; Y522-F553 WeakPolarHBondContact OH-CE1 3.25Å
523	D	92.3	Very high	93.6	Very high	24 Å²	24	36.8 Å²	36.8	13%	0.128	19%	0.19	C	C	.	.			trans	-83.6	-176.4	176	70.5	19.1	0	0	0	112.9	V503 T525 F526 E527	V503-D523 WeakPolarHBondContact O-CA 3.26Å; D523-T525 PolarHBondContact O-N 3.3Å; D523-T525 VanDerWaalsContact OD1-CA 3.27Å; D523-T525 WeakPolarHBondContact OD1-CA 3.48Å; D523-T525 WeakPolarHBondContact OD1-CB 3.33Å; D523-T525 PolarHBondContact OD1-N 3.26Å; D523-T525 PolarHBondContact OD1-OG1 3.44Å; D523-T525 PolarHBondContact OD2-OG1 3.29Å; D523-F526 PolarHBondContact O-N 3.3Å; D523-F526 PolarHBondContact OD1-N 3.38Å; D523-E527 PolarHBondContact N-O 3.08Å; D523-E527 PolarHBondContact OD1-N 2.78Å
524	N	87.2	Confident	93.9	Very high	114 Å²	114	35.7 Å²	35.7	61%	0.61	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.4	178.7	63.8	-24.5	0	0	0	114.1	V503	V503-N524 HydrophobicContact CG2-CB 4.21Å
525	T	90.8	Very high	94.2	Very high	84 Å²	84	35.5 Å²	35.5	52%	0.515	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.5	173	71.4	0	0	0	0	112.6	D523 E527	D523-T525 PolarHBondContact O-N 3.3Å; D523-T525 VanDerWaalsContact OD1-CA 3.27Å; D523-T525 WeakPolarHBondContact OD1-CA 3.48Å; D523-T525 WeakPolarHBondContact OD1-CB 3.33Å; D523-T525 PolarHBondContact OD1-N 3.26Å; D523-T525 PolarHBondContact OD1-OG1 3.44Å; D523-T525 PolarHBondContact OD2-OG1 3.29Å; T525-E527 PolarHBondContact O-N 3.36Å
526	F	88.8	Confident	94.2	Very high	179 Å²	179	33.3 Å²	33.3	79%	0.785	17%	0.166	S	C	*	.	S	Bend	trans	63.2	22.5	-173.8	-53.1	-84.2	0	0	0	113.4	Y522 D523	Y522-F526 WeakPolarHBondContact CD1-O 3.36Å; D523-F526 PolarHBondContact O-N 3.3Å; D523-F526 PolarHBondContact OD1-N 3.38Å
527	E	93.1	Very high	94.1	Very high	120 Å²	120	34.6 Å²	34.6	56%	0.561	17%	0.174	S	C	*	.	P	Polyproline II helix	trans	-91.8	140.1	171	-68.3	-165.6	174.7	0	0	110.2	Y522 D523 T525 S529	Y522-E527 WeakPolarHBondContact CA-O 3.22Å; D523-E527 PolarHBondContact N-O 3.08Å; D523-E527 PolarHBondContact OD1-N 2.78Å; T525-E527 PolarHBondContact O-N 3.36Å; E527-S529 PolarHBondContact O-N 2.91Å
528	L	94.8	Very high	93.9	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-69.6	119.7	175.5	-172	66.1	0	0	0	109.3	Q298 Y522 R551 F553	Q298-L528 HydrophobicContact CB-CD2 4.04Å; Y522-L528 HydrophobicContact CD1-CB 4.22Å; Y522-L528 HydrophobicContact CD1-CD1 4.37Å; Y522-L528 HydrophobicContact CD2-CD1 4.24Å; Y522-L528 HydrophobicContact CE1-CB 3.94Å; Y522-L528 HydrophobicContact CE1-CD1 4.16Å; Y522-L528 HydrophobicContact CE2-CD1 4.02Å; Y522-L528 HydrophobicContact CG-CD1 4.41Å; L528-R551 HydrophobicContact CB-CB 4.43Å; L528-R551 HydrophobicContact CD2-CB 3.74Å; L528-R551 WeakPolarHBondContact CD2-O 3.32Å; L528-R551 HydrophobicContact CG-CB 3.83Å; L528-R551 WeakPolarHBondContact O-CD 3.24Å; L528-F553 HydrophobicContact CD1-CB 3.72Å; L528-F553 HydrophobicContact CD1-CD1 3.63Å; L528-F553 HydrophobicContact CD1-CG 4.05Å; L528-F553 HydrophobicContact CD2-CD1 4.28Å
529	S	94.1	Very high	93.7	Very high	8 Å²	8	45 Å²	45	6%	0.056	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-94.8	145.6	-173.4	-162.8	0	0	0	0	111.6	Q502 G520 G521 E527 V531	Q502-S529 PolarHBondContact NE2-OG 3.12Å; Q502-S529 PolarHBondContact OE1-OG 3.16Å; G520-S529 WeakPolarHBondContact CA-O 3.17Å; G521-S529 VanDerWaalsContact O-CB 3.31Å; G521-S529 WeakPolarHBondContact O-CB 3.19Å; G521-S529 PolarHBondContact O-N 2.87Å; E527-S529 PolarHBondContact O-N 2.91Å; S529-V531 WeakPolarHBondContact OG-CB 3.06Å; S529-V531 WeakPolarHBondContact OG-CG2 3.27Å; S529-V531 PolarHBondContact OG-N 3.46Å
530	D	94.2	Very high	93.6	Very high	28 Å²	28	53.7 Å²	53.7	15%	0.15	27%	0.268	C	S	.	.			trans	-102.3	2.2	165.4	59.4	6.8	0	0	0	111.6	V532 R547 L548 R551	D530-V532 PolarHBondContact O-N 2.72Å; D530-R547 HydrophobicContact CB-CB 4.4Å; D530-R547 CarbonylContact O-C 3.56Å; D530-R547 WeakPolarHBondContact O-CA 3.35Å; D530-R547 IonicContact OD1-CZ 2.96Å; D530-R547 IonicContact OD1-NH1 2.69Å; D530-R547 PolarHBondContact OD1-NH1 3.22Å; D530-R547 IonicContact OD2-NH1 3.84Å; D530-L548 HydrophobicContact CB-CB 4.23Å; D530-L548 PolarHBondContact O-N 3.42Å; D530-R551 HydrophobicContact CB-CG 3.78Å
531	V	94.9	Very high	93.7	Very high	25 Å²	25	55.8 Å²	55.8	15%	0.152	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.6	-172.7	173	0	0	0	0	110.6	H504 G520 S529	H504-V531 PolarHBondContact CE1-O 2.94Å; G520-V531 PolarHBondContact N-O 2.87Å; G520-V531 VanDerWaalsContact N-O 3.16Å; S529-V531 WeakPolarHBondContact OG-CB 3.06Å; S529-V531 WeakPolarHBondContact OG-CG2 3.27Å; S529-V531 PolarHBondContact OG-N 3.46Å
532	V	95.6	Very high	93.7	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.3	166.4	-175.9	0	0	0	0	107.9	W316 F517 V518 D530 A545 G546 L548	W316-V532 HydrophobicContact CZ2-CG2 4.17Å; F517-V532 HydrophobicContact CD1-CG1 3.84Å; V518-V532 WeakPolarHBondContact O-CA 3.25Å; D530-V532 PolarHBondContact O-N 2.72Å; V532-A545 HydrophobicContact CG1-CB 4.43Å; V532-A545 PolarHBondContact O-N 2.61Å; V532-G546 PolarHBondContact N-O 3.32Å; V532-G546 PolarHBondContact O-N 3.48Å; V532-G546 VanDerWaalsContact O-N 3.16Å; V532-L548 HydrophobicContact CG2-CD2 3.73Å; V532-L548 HydrophobicContact CG2-CG 3.78Å
533	E	95.6	Very high	93.8	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.8	174.8	62.2	176.5	175.9	0	0	111.9	M500 N501 H504 F517 V518 W542 T543	M500-E533 WeakPolarHBondContact CB-OE1 3.46Å; M500-E533 WeakPolarHBondContact CG-OE1 3.47Å; N501-E533 WeakPolarHBondContact CB-OE2 3.28Å; N501-E533 PolarHBondContact N-OE1 2.92Å; N501-E533 PolarHBondContact N-OE2 3Å; N501-E533 PolarHBondContact ND2-OE2 2.7Å; H504-E533 IonicContact CD2-OE1 3.5Å; H504-E533 IonicContact NE2-OE1 3.05Å; H504-E533 PolarHBondContact NE2-OE1 3.18Å; F517-E533 WeakPolarHBondContact CA-O 3.4Å; V518-E533 HydrophobicContact CB-CG 4.43Å; V518-E533 PolarHBondContact N-O 3.47Å; V518-E533 PolarHBondContact O-N 3.15Å; E533-W542 HydrophobicContact CB-CE3 4.31Å; E533-W542 HydrophobicContact CG-CE3 3.79Å; E533-W542 HydrophobicContact CG-CZ3 4.09Å; E533-T543 CarbonylContact C-O 3.45Å; E533-T543 VanDerWaalsContact CA-O 3.31Å; E533-T543 WeakPolarHBondContact CA-O 3.45Å
534	A	96.8	Very high	93.9	Very high	3 Å²	3	60 Å²	60	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.5	-177.3	0	0	0	0	0	111.8	L516 F517 W542 T543 A545	L516-A534 CarbonylContact O-C 3.56Å; L516-A534 WeakPolarHBondContact O-CA 3.45Å; F517-A534 HydrophobicContact CD1-CB 4.08Å; F517-A534 HydrophobicContact CD2-CB 4.22Å; F517-A534 HydrophobicContact CE1-CB 3.89Å; F517-A534 HydrophobicContact CE2-CB 4.05Å; F517-A534 HydrophobicContact CG-CB 4.24Å; F517-A534 HydrophobicContact CZ-CB 3.87Å; A534-W542 WeakPolarHBondContact O-CA 3.21Å; A534-T543 PolarHBondContact N-O 3.5Å; A534-T543 PolarHBondContact O-N 3.25Å; A534-T543 PolarHBondContact O-OG1 3.27Å; A534-A545 HydrophobicContact CB-CB 3.89Å
535	Y	97.2	Very high	94.1	Very high	8 Å²	8	55.9 Å²	55.9	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.7	171.4	-178.8	-108.8	0	0	0	110.6	Y475 I497 K515 L516 P537 W542	Y475-Y535 HydrophobicContact CE1-CE1 4.17Å; I497-Y535 HydrophobicContact CB-CE2 4.43Å; I497-Y535 HydrophobicContact CD1-CD1 4Å; I497-Y535 HydrophobicContact CD1-CD2 4.05Å; I497-Y535 HydrophobicContact CD1-CE1 3.74Å; I497-Y535 HydrophobicContact CD1-CE2 3.8Å; I497-Y535 HydrophobicContact CD1-CG 4.14Å; K515-Y535 WeakPolarHBondContact CA-O 3.17Å; K515-Y535 VanDerWaalsContact CB-O 3.28Å; K515-Y535 WeakPolarHBondContact CB-O 3.5Å; L516-Y535 HydrophobicContact CD1-CD1 3.93Å; L516-Y535 HydrophobicContact CD1-CG 4.46Å; L516-Y535 HydrophobicContact CG-CD1 4.3Å; L516-Y535 PolarHBondContact N-O 3.32Å; L516-Y535 PolarHBondContact O-N 3.25Å; Y535-P537 HydrophobicContact CE1-CB 4.09Å; Y535-P537 WeakPolarHBondContact O-CD 3.4Å; Y535-W542 AromaticContact CD2-CD1 3.82Å; Y535-W542 HydrophobicContact CD2-CD2 4.07Å; Y535-W542 AromaticContact CD2-CE2 3.71Å; Y535-W542 HydrophobicContact CD2-CG 4.12Å; Y535-W542 HydrophobicContact CD2-CZ2 4.24Å; Y535-W542 AromaticContact CD2-NE1 3.54Å; Y535-W542 HydrophobicContact CG-CD2 4.36Å; Y535-W542 AromaticContact CG-CE2 3.99Å; Y535-W542 HydrophobicContact CG-CZ2 4.11Å
536	D	95	Very high	94.1	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	111	172.2	-167.6	-32.7	0	0	0	110.1	K515 T538 N539 R540 S541	K515-D536 HydrophobicContact CD-CB 4.27Å; K515-D536 WeakPolarHBondContact CE-OD2 3.36Å; K515-D536 IonicContact NZ-OD2 3.19Å; K515-D536 PolarHBondContact NZ-OD2 2.8Å; D536-T538 PolarHBondContact O-N 3.27Å; D536-T538 VanDerWaalsContact O-N 3.17Å; D536-T538 WeakPolarHBondContact OD1-CA 3.26Å; D536-T538 VanDerWaalsContact OD1-CB 3.22Å; D536-T538 WeakPolarHBondContact OD1-CB 3.4Å; D536-T538 PolarHBondContact OD1-N 2.88Å; D536-T538 PolarHBondContact OD1-OG1 3.06Å; D536-N539 HydrophobicContact CB-CB 4.26Å; D536-N539 PolarHBondContact O-N 3.46Å; D536-R540 VanDerWaalsContact O-CA 3.31Å; D536-R540 WeakPolarHBondContact O-CA 3.24Å; D536-R540 PolarHBondContact O-N 3.16Å; D536-S541 PolarHBondContact N-O 3.05Å
537	P	93.2	Very high	94.3	Very high	26 Å²	26	52 Å²	52	17%	0.169	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.2	-179.6	27.8	-35.7	0	0	0	113.3	L470 Y535	L470-P537 HydrophobicContact CD2-CG 4.17Å; Y535-P537 HydrophobicContact CE1-CB 4.09Å; Y535-P537 WeakPolarHBondContact O-CD 3.4Å
538	T	92.4	Very high	94.4	Very high	121 Å²	121	46.7 Å²	46.7	74%	0.742	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-44.1	178.9	-55.9	0	0	0	0	110.8	D536	D536-T538 PolarHBondContact O-N 3.27Å; D536-T538 VanDerWaalsContact O-N 3.17Å; D536-T538 WeakPolarHBondContact OD1-CA 3.26Å; D536-T538 VanDerWaalsContact OD1-CB 3.22Å; D536-T538 WeakPolarHBondContact OD1-CB 3.4Å; D536-T538 PolarHBondContact OD1-N 2.88Å; D536-T538 PolarHBondContact OD1-OG1 3.06Å
539	N	92.7	Very high	94.2	Very high	112 Å²	112	47.3 Å²	47.3	60%	0.599	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-13.6	177.4	-63.7	-25	0	0	0	112.9	D536 S541	D536-N539 HydrophobicContact CB-CB 4.26Å; D536-N539 PolarHBondContact O-N 3.46Å; N539-S541 VanDerWaalsContact C-N 3.28Å; N539-S541 PolarHBondContact O-N 2.93Å
540	R	93.8	Very high	94	Very high	183 Å²	183	49 Å²	49	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	44.2	-175	-58.9	-179.9	173.4	-173.6	-4.7	112.2	S498 D536	S498-R540 PolarHBondContact OG-O 2.87Å; D536-R540 VanDerWaalsContact O-CA 3.31Å; D536-R540 WeakPolarHBondContact O-CA 3.24Å; D536-R540 PolarHBondContact O-N 3.16Å
541	S	95.7	Very high	94	Very high	44 Å²	44	52.6 Å²	52.6	31%	0.308	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.1	-178.1	61	0	0	0	0	112.2	D536 N539	D536-S541 PolarHBondContact N-O 3.05Å; N539-S541 VanDerWaalsContact C-N 3.28Å; N539-S541 PolarHBondContact O-N 2.93Å
542	W	96.6	Very high	94	Very high	19 Å²	19	51.7 Å²	51.7	7%	0.072	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.3	170.9	-67.5	91.4	0	0	0	110.3	V484 I497 S498 M500 N501 V518 E533 A534 Y535	V484-W542 HydrophobicContact CG2-CZ2 3.91Å; I497-W542 HydrophobicContact CD1-CZ2 4.34Å; S498-W542 PolarHBondContact O-NE1 2.99Å; M500-W542 HydrophobicContact CG-CD2 4.03Å; M500-W542 HydrophobicContact CG-CE3 4.17Å; M500-W542 HydrophobicContact CG-CH2 3.71Å; M500-W542 HydrophobicContact CG-CZ2 3.55Å; M500-W542 HydrophobicContact CG-CZ3 4.02Å; M500-W542 HydrophobicContact SD-CH2 4.15Å; M500-W542 HydrophobicContact SD-CZ2 4.45Å; N501-W542 WeakPolarHBondContact ND2-CB 3.45Å; V518-W542 HydrophobicContact CB-CZ3 4.35Å; V518-W542 HydrophobicContact CG2-CH2 3.71Å; V518-W542 HydrophobicContact CG2-CZ3 3.75Å; E533-W542 HydrophobicContact CB-CE3 4.31Å; E533-W542 HydrophobicContact CG-CE3 3.79Å; E533-W542 HydrophobicContact CG-CZ3 4.09Å; A534-W542 WeakPolarHBondContact O-CA 3.21Å; Y535-W542 AromaticContact CD2-CD1 3.82Å; Y535-W542 HydrophobicContact CD2-CD2 4.07Å; Y535-W542 AromaticContact CD2-CE2 3.71Å; Y535-W542 HydrophobicContact CD2-CG 4.12Å; Y535-W542 HydrophobicContact CD2-CZ2 4.24Å; Y535-W542 AromaticContact CD2-NE1 3.54Å; Y535-W542 HydrophobicContact CG-CD2 4.36Å; Y535-W542 AromaticContact CG-CE2 3.99Å; Y535-W542 HydrophobicContact CG-CZ2 4.11Å
543	T	95.7	Very high	93.9	Very high	69 Å²	69	52 Å²	52	42%	0.423	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.2	177	52.9	0	0	0	0	110	E533 A534 A545	E533-T543 CarbonylContact C-O 3.45Å; E533-T543 VanDerWaalsContact CA-O 3.31Å; E533-T543 WeakPolarHBondContact CA-O 3.45Å; A534-T543 PolarHBondContact N-O 3.5Å; A534-T543 PolarHBondContact O-N 3.25Å; A534-T543 PolarHBondContact O-OG1 3.27Å; T543-A545 PolarHBondContact O-N 2.76Å
544	A	93.7	Very high	93.8	Very high	86 Å²	86	59.2 Å²	59.2	71%	0.711	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	114.7	171.7	0	0	0	0	0	109.3
545	A	91.9	Very high	93.7	Very high	28 Å²	28	59.5 Å²	59.5	23%	0.231	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-25.2	-176.9	0	0	0	0	0	112.5	Y309 F517 V532 A534 T543	Y309-A545 PolarHBondContact OH-O 2.98Å; Y309-A545 VanDerWaalsContact OH-O 3.06Å; F517-A545 HydrophobicContact CD1-CB 4.24Å; F517-A545 HydrophobicContact CE1-CB 3.7Å; V532-A545 HydrophobicContact CG1-CB 4.43Å; V532-A545 PolarHBondContact O-N 2.61Å; A534-A545 HydrophobicContact CB-CB 3.89Å; T543-A545 PolarHBondContact O-N 2.76Å
546	G	89.6	Confident	93.6	Very high	29 Å²	29	59.5 Å²	59.5	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-164.3	177.8	0	0	0	0	0	112.4	V532	V532-G546 PolarHBondContact N-O 3.32Å; V532-G546 PolarHBondContact O-N 3.48Å; V532-G546 VanDerWaalsContact O-N 3.16Å
547	R	93.8	Very high	93.6	Very high	152 Å²	152	58.9 Å²	58.9	57%	0.574	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	142	171.7	-66.1	-177.7	-177.7	-89.9	-2.3	110	W316 D530	W316-R547 PolarHBondContact NE1-O 3.43Å; D530-R547 HydrophobicContact CB-CB 4.4Å; D530-R547 CarbonylContact O-C 3.56Å; D530-R547 WeakPolarHBondContact O-CA 3.35Å; D530-R547 IonicContact OD1-CZ 2.96Å; D530-R547 IonicContact OD1-NH1 2.69Å; D530-R547 PolarHBondContact OD1-NH1 3.22Å; D530-R547 IonicContact OD2-NH1 3.84Å
548	L	94.3	Very high	93.8	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.047	30%	0.303	C	S	.	.			trans	-61.1	148.3	170.5	-66.8	177.8	0	0	0	110	V292 W316 D530 V532 Q550	V292-L548 HydrophobicContact CG2-CD2 3.96Å; W316-L548 HydrophobicContact CH2-CD2 3.45Å; W316-L548 VanDerWaalsContact CH2-CD2 3.45Å; W316-L548 HydrophobicContact CZ2-CD2 3.76Å; W316-L548 HydrophobicContact CZ3-CD2 4.31Å; D530-L548 HydrophobicContact CB-CB 4.23Å; D530-L548 PolarHBondContact O-N 3.42Å; V532-L548 HydrophobicContact CG2-CD2 3.73Å; V532-L548 HydrophobicContact CG2-CG 3.78Å; L548-Q550 WeakPolarHBondContact CB-O 3.21Å; L548-Q550 PolarHBondContact O-N 2.75Å
549	P	91.9	Very high	94	Very high	20 Å²	20	53 Å²	53	13%	0.13	27%	0.269	C	S	.	.	S	Bend	trans	-64	-23.9	174.5	-22.9	35	0	0	0	113.8	D307 W316 H584 R587	D307-P549 HydrophobicContact CB-CG 4.28Å; W316-P549 HydrophobicContact CB-CG 3.84Å; W316-P549 HydrophobicContact CD2-CG 3.71Å; W316-P549 HydrophobicContact CE3-CG 3.84Å; W316-P549 HydrophobicContact CG-CG 3.72Å; P549-H584 PolarHBondContact O-CE1 2.98Å; P549-H584 VanDerWaalsContact O-CE1 3.25Å; P549-R587 PolarHBondContact O-NH1 2.69Å
550	Q	89.7	Confident	94	Very high	42 Å²	42	47.6 Å²	47.6	20%	0.196	24%	0.241	C	C	.	.	S	Bend	trans	-134.6	149.2	170	-159.5	172.9	-5.5	0	0	109.2	D297 L548 T552	D297-Q550 PolarHBondContact OD2-NE2 3.39Å; D297-Q550 VanDerWaalsContact OD2-NE2 3.16Å; L548-Q550 WeakPolarHBondContact CB-O 3.21Å; L548-Q550 PolarHBondContact O-N 2.75Å; Q550-T552 PolarHBondContact O-N 3.35Å; Q550-T552 PolarHBondContact O-OG1 3.06Å
551	R	93.9	Very high	94	Very high	104 Å²	104	39.7 Å²	39.7	39%	0.392	21%	0.211	S	C	.	.			trans	-67.8	119.8	164.7	-67.3	173.7	-179.5	-158.1	-0.2	108	L528 D530	L528-R551 HydrophobicContact CB-CB 4.43Å; L528-R551 HydrophobicContact CD2-CB 3.74Å; L528-R551 WeakPolarHBondContact CD2-O 3.32Å; L528-R551 HydrophobicContact CG-CB 3.83Å; L528-R551 WeakPolarHBondContact O-CD 3.24Å; D530-R551 HydrophobicContact CB-CG 3.78Å
552	T	94.2	Very high	93.8	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.043	20%	0.203	C	C	.	.			trans	-145.7	144.6	-170.8	-59.1	0	0	0	0	110.6	G294 C296 L303 G520 G521 Q550 H555	G294-T552 WeakPolarHBondContact O-CG2 3.34Å; C296-T552 VanDerWaalsContact O-CA 3.25Å; C296-T552 WeakPolarHBondContact O-CA 3.45Å; C296-T552 WeakPolarHBondContact O-CG2 3.32Å; L303-T552 HydrophobicContact CD1-CG2 3.81Å; L303-T552 WeakPolarHBondContact CD1-OG1 3.49Å; G520-T552 CarbonylContact C-O 3.51Å; G520-T552 WeakPolarHBondContact CA-O 3.34Å; G521-T552 PolarHBondContact N-O 3.26Å; Q550-T552 PolarHBondContact O-N 3.35Å; Q550-T552 PolarHBondContact O-OG1 3.06Å; T552-H555 HydrophobicContact CG2-CB 3.85Å
553	F	94.6	Very high	93.4	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.039	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-129.4	164.4	169.1	70.8	-74.5	0	0	0	110.6	G295 C296 D297 Y522 L528 H555	G295-F553 CarbonylContact C-O 3.4Å; G295-F553 VanDerWaalsContact CA-O 3.26Å; G295-F553 WeakPolarHBondContact CA-O 3.29Å; C296-F553 HydrophobicContact CB-CD1 3.87Å; C296-F553 HydrophobicContact CB-CE1 3.33Å; C296-F553 HydrophobicContact CB-CE2 4.16Å; C296-F553 HydrophobicContact CB-CG 4.49Å; C296-F553 HydrophobicContact CB-CZ 3.5Å; C296-F553 VanDerWaalsContact CB-CZ 3.5Å; C296-F553 PolarHBondContact N-O 3.43Å; C296-F553 VanDerWaalsContact O-CD1 3.32Å; C296-F553 WeakPolarHBondContact O-CD1 3.31Å; C296-F553 PolarHBondContact O-N 3.26Å; D297-F553 WeakPolarHBondContact O-CE1 3.38Å; Y522-F553 HydrophobicContact CD2-CB 4.38Å; Y522-F553 HydrophobicContact CD2-CG 4.36Å; Y522-F553 HydrophobicContact CE2-CB 4.15Å; Y522-F553 AromaticContact CE2-CD1 3.81Å; Y522-F553 HydrophobicContact CE2-CD1 3.81Å; Y522-F553 AromaticContact CE2-CD2 3.83Å; Y522-F553 HydrophobicContact CE2-CD2 3.83Å; Y522-F553 HydrophobicContact CE2-CE1 4.11Å; Y522-F553 HydrophobicContact CE2-CE2 4.13Å; Y522-F553 AromaticContact CE2-CG 3.67Å; Y522-F553 HydrophobicContact CE2-CG 3.67Å; Y522-F553 HydrophobicContact CE2-CZ 4.27Å; Y522-F553 WeakPolarHBondContact OH-CE1 3.25Å; L528-F553 HydrophobicContact CD1-CB 3.72Å; L528-F553 HydrophobicContact CD1-CD1 3.63Å; L528-F553 HydrophobicContact CD1-CG 4.05Å; L528-F553 HydrophobicContact CD2-CD1 4.28Å; F553-H555 PolarHBondContact O-N 2.8Å; F553-H555 VanDerWaalsContact O-N 3.12Å
554	W	93.2	Very high	92.7	Very high	152 Å²	152	41.3 Å²	41.3	58%	0.576	21%	0.208	S	C	*	.	S	Bend	trans	54.8	24.6	-175.4	-62	-22	0	0	0	114.9	Y330 G506	Y330-W554 PolarHBondContact OH-O 2.93Å; G506-W554 WeakPolarHBondContact O-CA 3.17Å; G506-W554 PolarHBondContact O-N 2.78Å
555	H	94.9	Very high	91.3	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.037	22%	0.216	C	C	.	.			trans	-79.2	155.4	170.6	61.9	-77.9	0	0	0	112.2	V292 V293 G294 Y330 S508 S519 T552 F553 S557	V292-H555 HydrophobicContact CG1-CB 4Å; V292-H555 VanDerWaalsContact CG1-CD2 3.45Å; V292-H555 WeakPolarHBondContact CG1-CD2 3.21Å; V293-H555 WeakPolarHBondContact O-CB 3.46Å; G294-H555 VanDerWaalsContact O-CB 3.24Å; G294-H555 WeakPolarHBondContact O-CB 3.49Å; Y330-H555 WeakPolarHBondContact OH-CA 3.48Å; S508-H555 VanDerWaalsContact CB-CD2 3.48Å; S508-H555 WeakPolarHBondContact CB-CD2 3.32Å; S508-H555 VanDerWaalsContact CB-NE2 3.33Å; S508-H555 WeakPolarHBondContact CB-NE2 3.25Å; S508-H555 WeakPolarHBondContact CB-O 3Å; S508-H555 PolarHBondContact OG-O 3.16Å; S519-H555 PolarHBondContact O-CE1 3.3Å; S519-H555 PolarHBondContact O-NE2 3.35Å; S519-H555 PolarHBondContact OG-NE2 2.87Å; T552-H555 HydrophobicContact CG2-CB 3.85Å; F553-H555 PolarHBondContact O-N 2.8Å; F553-H555 VanDerWaalsContact O-N 3.12Å; H555-S557 PolarHBondContact CD2-OG 3.39Å
556	G	94.8	Very high	89.6	Confident	8 Å²	8	48.2 Å²	48.2	8%	0.082	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.6	167.7	0	0	0	0	0	111.6	V292 V293 Y330 I332	V292-G556 CarbonylContact C-O 3.58Å; V292-G556 WeakPolarHBondContact CA-O 3.38Å; V293-G556 PolarHBondContact N-O 3.06Å; V293-G556 PolarHBondContact O-N 2.75Å; Y330-G556 PolarHBondContact OH-N 2.99Å; I332-G556 VanDerWaalsContact CD1-CA 3.46Å
557	S	96.1	Very high	87.5	Confident	9 Å²	9	53.9 Å²	53.9	6%	0.063	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.9	171.3	-71.5	0	0	0	0	112.2	V291 S508 S519 H555	V291-S557 VanDerWaalsContact O-CA 3.31Å; V291-S557 WeakPolarHBondContact O-CA 2.87Å; S508-S557 WeakPolarHBondContact CB-OG 3.33Å; S508-S557 WeakPolarHBondContact OG-CB 3.37Å; S508-S557 PolarHBondContact OG-N 3.45Å; S519-S557 PolarHBondContact OG-OG 2.97Å; H555-S557 PolarHBondContact CD2-OG 3.39Å
558	V	96.6	Very high	84.7	Confident	16 Å²	16	52.5 Å²	52.5	10%	0.097	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	162.8	172.5	-72.2	0	0	0	0	110.8	V291 I332 A334 M339	V291-V558 PolarHBondContact N-O 2.97Å; V291-V558 PolarHBondContact O-N 2.96Å; I332-V558 HydrophobicContact CD1-CB 4.23Å; I332-V558 HydrophobicContact CD1-CG1 3.67Å; I332-V558 HydrophobicContact CD1-CG2 3.87Å; I332-V558 HydrophobicContact CG1-CG1 3.84Å; A334-V558 HydrophobicContact CB-CB 4.17Å; A334-V558 HydrophobicContact CB-CG1 4.46Å; A334-V558 HydrophobicContact CB-CG2 4.48Å; M339-V558 HydrophobicContact CE-CG2 3.55Å; M339-V558 HydrophobicContact CG-CG2 3.89Å; M339-V558 HydrophobicContact SD-CG2 3.86Å
559	S	95.4	Very high	81.7	Confident	6 Å²	6	56.8 Å²	56.8	4%	0.042	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.9	168.4	62.2	0	0	0	0	112	R270 H271 I289 A334 V511	R270-S559 PolarHBondContact NH2-O 3.28Å; H271-S559 PolarHBondContact CE1-OG 2.97Å; H271-S559 PolarHBondContact NE2-OG 3.42Å; I289-S559 WeakPolarHBondContact O-CA 3.4Å; A334-S559 WeakPolarHBondContact CB-O 3.24Å; V511-S559 WeakPolarHBondContact O-CB 3.31Å; V511-S559 PolarHBondContact O-OG 3.21Å
560	I	94.6	Very high	78.6	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	164.5	170.8	56.3	167.6	0	0	0	109.6	E288 I289 V291 A334 M339 Y357	E288-I560 WeakPolarHBondContact CA-O 3.28Å; I289-I560 HydrophobicContact CD1-CD1 4.28Å; I289-I560 HydrophobicContact CD1-CG1 4.04Å; I289-I560 HydrophobicContact CG1-CG1 3.81Å; I289-I560 WeakPolarHBondContact CG1-O 3.11Å; I289-I560 PolarHBondContact N-O 3.01Å; I289-I560 PolarHBondContact O-N 3.11Å; I289-I560 VanDerWaalsContact O-N 3.08Å; V291-I560 HydrophobicContact CG2-CD1 3.87Å; V291-I560 HydrophobicContact CG2-CG1 3.7Å; A334-I560 HydrophobicContact CB-CG2 4.04Å; M339-I560 HydrophobicContact CG-CD1 4.31Å; M339-I560 HydrophobicContact CG-CG2 3.51Å; M339-I560 HydrophobicContact SD-CD1 3.85Å; M339-I560 HydrophobicContact SD-CG1 4.36Å; M339-I560 HydrophobicContact SD-CG2 4.13Å; Y357-I560 HydrophobicContact CE1-CD1 4.18Å
561	F	93	Very high	75.8	Confident	16 Å²	16	63.3 Å²	63.3	7%	0.07	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.5	166.8	-58.6	-77.2	0	0	0	110.4	F231 F263 P280 L286 A287 E288 N337 S359	F231-F561 HydrophobicContact CE1-CD1 4.11Å; F231-F561 AromaticContact CE1-CE1 3.92Å; F231-F561 HydrophobicContact CE1-CE1 3.92Å; F231-F561 HydrophobicContact CE1-CE2 4.37Å; F231-F561 HydrophobicContact CE1-CG 4.41Å; F231-F561 HydrophobicContact CE1-CZ 4.06Å; F231-F561 AromaticContact CZ-CE1 3.9Å; F231-F561 HydrophobicContact CZ-CE1 3.9Å; F231-F561 AromaticContact CZ-CZ 3.96Å; F231-F561 HydrophobicContact CZ-CZ 3.96Å; F263-F561 HydrophobicContact CE1-CE2 4.45Å; F263-F561 AromaticContact CZ-CE2 3.74Å; F263-F561 HydrophobicContact CZ-CE2 3.74Å; F263-F561 AromaticContact CZ-CZ 3.93Å; F263-F561 HydrophobicContact CZ-CZ 3.93Å; P280-F561 HydrophobicContact CG-CD1 4.1Å; P280-F561 HydrophobicContact CG-CE1 4.16Å; L286-F561 HydrophobicContact CD1-CB 3.89Å; L286-F561 HydrophobicContact CG-CB 4.29Å; A287-F561 CarbonylContact O-C 3.6Å; A287-F561 WeakPolarHBondContact O-CA 3.48Å; E288-F561 HydrophobicContact CB-CD1 3.8Å; E288-F561 HydrophobicContact CB-CE1 3.67Å; E288-F561 HydrophobicContact CG-CD1 4.11Å; E288-F561 HydrophobicContact CG-CE1 3.86Å; E288-F561 HydrophobicContact CG-CZ 4.37Å; N337-F561 PolarHBondContact ND2-O 3.08Å; N337-F561 WeakPolarHBondContact OD1-CA 3.45Å; N337-F561 VanDerWaalsContact OD1-CB 3.26Å; N337-F561 WeakPolarHBondContact OD1-CB 3.37Å; N337-F561 PolarHBondContact OD1-N 2.88Å; N337-F561 PolarHBondContact OD1-O 3.01Å; S359-F561 PolarHBondContact OG-O 2.95Å
562	R	90.7	Very high	72.8	Confident	37 Å²	37	66.8 Å²	66.8	14%	0.14	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.8	174.8	-172.5	172.1	-176.9	92.8	-13.8	110.5	A287 I289 L319 Y357 S359 N362 F564	A287-R562 PolarHBondContact N-O 2.89Å; A287-R562 PolarHBondContact O-N 3.37Å; I289-R562 HydrophobicContact CD1-CB 3.49Å; I289-R562 VanDerWaalsContact CD1-CB 3.49Å; I289-R562 HydrophobicContact CD1-CG 4.22Å; I289-R562 HydrophobicContact CG1-CB 4.12Å; L319-R562 VanDerWaalsContact CD2-CZ 3.47Å; Y357-R562 PolarHBondContact OH-NH1 2.8Å; S359-R562 PolarHBondContact O-NH1 2.87Å; S359-R562 PolarHBondContact OG-NH1 3.38Å; N362-R562 PolarHBondContact OD1-NH2 2.85Å; R562-F564 HydrophobicContact CB-CE2 3.98Å; R562-F564 HydrophobicContact CB-CZ 4.1Å; R562-F564 HydrophobicContact CG-CE1 4.4Å; R562-F564 HydrophobicContact CG-CE2 4.28Å; R562-F564 HydrophobicContact CG-CZ 4.09Å; R562-F564 WeakPolarHBondContact O-CD2 3.43Å; R562-F564 PolarHBondContact O-N 3.11Å
563	Q	87.9	Confident	69.6	Low	106 Å²	106	75 Å²	75	50%	0.495	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.4	171.8	-174.5	65.5	47.6	0	0	108.3	T284 G285 L286	T284-Q563 PolarHBondContact O-NE2 2.66Å; G285-Q563 VanDerWaalsContact C-NE2 3.26Å; G285-Q563 PolarHBondContact O-NE2 2.79Å; L286-Q563 HydrophobicContact CD1-CB 4.48Å
564	F	81.6	Confident	66.5	Low	23 Å²	23	80.6 Å²	80.6	10%	0.101	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-96.6	151	166.7	-63.4	-78.4	0	0	0	108.8	G285 A287 I289 R317 R562	G285-F564 PolarHBondContact O-N 2.82Å; A287-F564 HydrophobicContact CB-CD2 4.1Å; A287-F564 HydrophobicContact CB-CE2 4.04Å; I289-F564 HydrophobicContact CD1-CZ 4.38Å; I289-F564 HydrophobicContact CG2-CE2 3.61Å; I289-F564 HydrophobicContact CG2-CZ 3.73Å; R317-F564 VanDerWaalsContact NH1-CD1 3.28Å; R562-F564 HydrophobicContact CB-CE2 3.98Å; R562-F564 HydrophobicContact CB-CZ 4.1Å; R562-F564 HydrophobicContact CG-CE1 4.4Å; R562-F564 HydrophobicContact CG-CE2 4.28Å; R562-F564 HydrophobicContact CG-CZ 4.09Å; R562-F564 WeakPolarHBondContact O-CD2 3.43Å; R562-F564 PolarHBondContact O-N 3.11Å
565	M	65.4	Low	63.9	Low	179 Å²	179	79.4 Å²	79.4	88%	0.882	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-59.3	130.6	162.1	-73.6	-160.8	178.7	0	0	107.1	L567	M565-L567 PolarHBondContact O-N 3.16Å
566	P	55.3	Low	60.9	Low	80 Å²	80	86.3 Å²	86.3	52%	0.519	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-50.5	136.5	169.8	-21.3	30.8	0	0	0	107.5	V568	P566-V568 PolarHBondContact O-N 3.46Å
567	L	45.8	Very low	57.9	Low	149 Å²	149	91.5 Å²	91.5	78%	0.78	52%	0.519	S	S	*	.			trans	-59.6	92.7	169	-74.1	161.6	0	0	0	106.5	M565 A569	M565-L567 PolarHBondContact O-N 3.16Å; L567-A569 PolarHBondContact O-N 3.32Å
568	V	33.9	Very low	55	Low	123 Å²	123	95 Å²	95	75%	0.745	54%	0.541	S	S	*	.			trans	-60.9	114.6	160.9	-175.5	0	0	0	0	102.6	P566 S570	P566-V568 PolarHBondContact O-N 3.46Å; V568-S570 PolarHBondContact O-N 2.74Å
569	A	32.9	Very low	52.6	Low	99 Å²	99	100 Å²	100	82%	0.818	56%	0.564	S	S	*	*			trans	-65.1	75.9	168.1	0	0	0	0	0	107.3	L567 S571	L567-A569 PolarHBondContact O-N 3.32Å; A569-S571 PolarHBondContact O-N 2.53Å
570	S	26.7	Very low	49.9	Very low	87 Å²	87	102.9 Å²	102.9	61%	0.608	58%	0.584	S	S	*	*			trans	-68.4	113.1	162.6	51.6	0	0	0	0	105.5	V568 F572	V568-S570 PolarHBondContact O-N 2.74Å; S570-F572 PolarHBondContact O-N 3.16Å
571	S	29.9	Very low	47.1	Very low	111 Å²	111	107.4 Å²	107.4	78%	0.776	61%	0.608	S	S	*	*	S	Bend	trans	-68.7	29.8	-179.5	47.5	0	0	0	0	114.1	A569	A569-S571 PolarHBondContact O-N 2.53Å
572	F	32	Very low	44.5	Very low	177 Å²	177	109 Å²	109	78%	0.776	62%	0.623	S	S	*	*			trans	-149.2	95.1	178.2	-86	-85	0	0	0	110.8	S570	S570-F572 PolarHBondContact O-N 3.16Å
573	E	27.2	Very low	42.7	Very low	181 Å²	181	109.9 Å²	109.9	85%	0.846	63%	0.63	S	S	*	*			trans	-145.3	134.7	134.7	-76.6	-158.3	155.2	0	0	108.8
574	P	29.2	Very low	40.8	Very low	126 Å²	126	108.7 Å²	108.7	82%	0.818	63%	0.625	S	S	*	*			trans	-75.3	141.3	171.9	31.7	-30.3	0	0	0	110.1
575	T	37.3	Very low	38.8	Very low	126 Å²	126	112.8 Å²	112.8	77%	0.773	65%	0.647	S	S	*	*	S	Bend	trans	-58.6	155.4	175.4	42.9	0	0	0	0	113.7
576	D	33.5	Very low	38	Very low	153 Å²	153	110.6 Å²	110.6	82%	0.818	63%	0.634	S	S	*	*			trans	91	65.4	163.3	-59.8	-22.4	0	0	0	118.5
577	T	29.8	Very low	38	Very low	118 Å²	118	109 Å²	109	72%	0.724	62%	0.618	S	S	*	*			trans	-132.2	134.9	130.9	50.7	0	0	0	0	108.9	E579	T577-E579 PolarHBondContact O-N 2.99Å; T577-E579 VanDerWaalsContact O-N 3.12Å
578	P	36.5	Very low	38.1	Very low	82 Å²	82	107.6 Å²	107.6	53%	0.532	61%	0.607	S	S	.	*			trans	-65.2	115.4	173.8	-12.7	25.8	0	0	0	108.3	S580 N581	P578-S580 PolarHBondContact O-N 2.8Å; P578-N581 WeakPolarHBondContact O-CB 3.49Å; P578-N581 PolarHBondContact O-N 2.83Å
579	E	45	Very low	38.7	Very low	122 Å²	122	107.1 Å²	107.1	57%	0.57	60%	0.597	S	S	*	*	H	α-helix	trans	-54.3	-27.7	177.9	-72.2	-180	145.2	0	0	112.4	Q315 T577 N581 A582 I583	Q315-E579 PolarHBondContact NE2-OE2 2.94Å; T577-E579 PolarHBondContact O-N 2.99Å; T577-E579 VanDerWaalsContact O-N 3.12Å; E579-N581 VanDerWaalsContact C-N 3.28Å; E579-N581 PolarHBondContact O-N 2.83Å; E579-A582 WeakPolarHBondContact O-CB 2.85Å; E579-A582 PolarHBondContact O-N 3.48Å; E579-I583 WeakPolarHBondContact O-CG1 3.49Å; E579-I583 PolarHBondContact O-N 2.67Å
580	S	40.1	Very low	39.7	Very low	66 Å²	66	108.5 Å²	108.5	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-53.4	-42.9	169.5	162.4	0	0	0	0	112.1	P578 A582 I583 H584	P578-S580 PolarHBondContact O-N 2.8Å; S580-A582 VanDerWaalsContact C-N 3.34Å; S580-A582 PolarHBondContact O-N 3Å; S580-I583 PolarHBondContact O-N 3.25Å; S580-H584 PolarHBondContact O-CD2 2.73Å; S580-H584 PolarHBondContact O-N 3.24Å; S580-H584 PolarHBondContact OG-CD2 2.92Å
581	N	35.6	Very low	40.9	Very low	95 Å²	95	108.3 Å²	108.3	51%	0.508	57%	0.57	S	S	.	*	H	α-helix	trans	-67.6	-33.8	176.7	-74.9	-15.8	0	0	0	112.2	P578 E579 H584 L585	P578-N581 WeakPolarHBondContact O-CB 3.49Å; P578-N581 PolarHBondContact O-N 2.83Å; E579-N581 VanDerWaalsContact C-N 3.28Å; E579-N581 PolarHBondContact O-N 2.83Å; N581-H584 PolarHBondContact O-N 2.88Å; N581-L585 WeakPolarHBondContact O-CB 3.4Å; N581-L585 PolarHBondContact O-N 2.69Å
582	A	39.3	Very low	41.6	Very low	48 Å²	48	107.9 Å²	107.9	40%	0.397	56%	0.556	S	S	.	*	H	α-helix	trans	-69.2	-38.7	176.5	0	0	0	0	0	111.9	E579 S580 L585 H586	E579-A582 WeakPolarHBondContact O-CB 2.85Å; E579-A582 PolarHBondContact O-N 3.48Å; S580-A582 VanDerWaalsContact C-N 3.34Å; S580-A582 PolarHBondContact O-N 3Å; A582-L585 PolarHBondContact O-N 3.27Å; A582-H586 PolarHBondContact O-CD2 2.86Å; A582-H586 PolarHBondContact O-N 3.28Å
583	I	52.3	Low	42.3	Very low	56 Å²	56	102.2 Å²	102.2	29%	0.287	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-48	172.9	-65.1	167.8	0	0	0	110	E579 S580 L585 R587	E579-I583 WeakPolarHBondContact O-CG1 3.49Å; E579-I583 PolarHBondContact O-N 2.67Å; S580-I583 PolarHBondContact O-N 3.25Å; I583-L585 PolarHBondContact O-N 2.88Å; I583-R587 VanDerWaalsContact O-CB 3.28Å; I583-R587 WeakPolarHBondContact O-CB 3.48Å; I583-R587 PolarHBondContact O-N 2.77Å
584	H	47.6	Very low	43.3	Very low	81 Å²	81	97 Å²	97	38%	0.375	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-36.2	176.4	-70.4	-64	0	0	0	113	P549 S580 N581 R587 H588	P549-H584 PolarHBondContact O-CE1 2.98Å; P549-H584 VanDerWaalsContact O-CE1 3.25Å; S580-H584 PolarHBondContact O-CD2 2.73Å; S580-H584 PolarHBondContact O-N 3.24Å; S580-H584 PolarHBondContact OG-CD2 2.92Å; N581-H584 PolarHBondContact O-N 2.88Å; H584-R587 WeakPolarHBondContact O-CB 3.37Å; H584-R587 PolarHBondContact O-N 3.29Å; H584-H588 WeakPolarHBondContact O-CB 3.09Å; H584-H588 PolarHBondContact O-N 3.35Å
585	L	39.3	Very low	44	Very low	109 Å²	109	95.7 Å²	95.7	57%	0.571	50%	0.502	S	S	*	.	H	α-helix	trans	-68.4	-46.2	178.4	-133.4	82.1	0	0	0	112	N581 A582 I583 R587 H588 Q589	N581-L585 WeakPolarHBondContact O-CB 3.4Å; N581-L585 PolarHBondContact O-N 2.69Å; A582-L585 PolarHBondContact O-N 3.27Å; I583-L585 PolarHBondContact O-N 2.88Å; L585-R587 VanDerWaalsContact C-N 3.31Å; L585-R587 PolarHBondContact O-N 2.74Å; L585-H588 PolarHBondContact O-N 3.46Å; L585-Q589 WeakPolarHBondContact O-CG 3.35Å; L585-Q589 PolarHBondContact O-N 3.29Å
586	H	48	Very low	44.4	Very low	133 Å²	133	94.2 Å²	94.2	62%	0.616	49%	0.489	S	S	*	.	H	α-helix	trans	-64.6	-37.9	176.1	-87.7	-60.9	0	0	0	111.4	A582 R590	A582-H586 PolarHBondContact O-CD2 2.86Å; A582-H586 PolarHBondContact O-N 3.28Å; H586-R590 VanDerWaalsContact O-CB 3.23Å; H586-R590 WeakPolarHBondContact O-CB 3.38Å; H586-R590 PolarHBondContact O-N 2.83Å
587	R	56.3	Low	44.9	Very low	48 Å²	48	91.7 Å²	91.7	18%	0.181	48%	0.476	C	S	.	.	H	α-helix	trans	-58.3	-50.5	171.7	-169.6	-165.1	-151.1	113.5	26.2	111.3	P549 I583 H584 L585 Q589 R590 H591	P549-R587 PolarHBondContact O-NH1 2.69Å; I583-R587 VanDerWaalsContact O-CB 3.28Å; I583-R587 WeakPolarHBondContact O-CB 3.48Å; I583-R587 PolarHBondContact O-N 2.77Å; H584-R587 WeakPolarHBondContact O-CB 3.37Å; H584-R587 PolarHBondContact O-N 3.29Å; L585-R587 VanDerWaalsContact C-N 3.31Å; L585-R587 PolarHBondContact O-N 2.74Å; R587-Q589 PolarHBondContact O-N 2.92Å; R587-R590 PolarHBondContact O-N 3.03Å; R587-H591 WeakPolarHBondContact O-CB 3.36Å; R587-H591 PolarHBondContact O-N 2.71Å
588	H	48.4	Very low	45.4	Very low	119 Å²	119	90.3 Å²	90.3	55%	0.551	46%	0.464	S	S	*	.	H	α-helix	trans	-67	-40.2	-175.3	-158.6	8.8	0	0	0	112.2	H584 L585 Q592	H584-H588 WeakPolarHBondContact O-CB 3.09Å; H584-H588 PolarHBondContact O-N 3.35Å; L585-H588 PolarHBondContact O-N 3.46Å; H588-Q592 WeakPolarHBondContact O-CB 3.4Å; H588-Q592 VanDerWaalsContact O-CG 3.31Å; H588-Q592 WeakPolarHBondContact O-CG 3.49Å; H588-Q592 PolarHBondContact O-N 3.47Å
589	Q	46.7	Very low	45.8	Very low	113 Å²	113	89.8 Å²	89.8	53%	0.528	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-39.6	175.8	-71.9	176.7	-2.5	0	0	112.2	L585 R587 A593	L585-Q589 WeakPolarHBondContact O-CG 3.35Å; L585-Q589 PolarHBondContact O-N 3.29Å; R587-Q589 PolarHBondContact O-N 2.92Å; Q589-A593 WeakPolarHBondContact O-CB 3.35Å; Q589-A593 PolarHBondContact O-N 3.2Å; Q589-A593 VanDerWaalsContact O-N 3.08Å
590	R	54	Low	45.7	Very low	128 Å²	128	88.2 Å²	88.2	48%	0.483	45%	0.452	S	S	.	.	H	α-helix	trans	-78.8	-37.5	-178.2	-162.5	170	173.8	155.5	-1.6	112.5	E321 H586 R587 A593 L594	E321-R590 VanDerWaalsContact CD-CZ 3.41Å; E321-R590 WeakPolarHBondContact OE1-CD 2.97Å; E321-R590 IonicContact OE1-CZ 2.61Å; E321-R590 IonicContact OE1-NE 2.64Å; E321-R590 PolarHBondContact OE1-NE 2.89Å; E321-R590 IonicContact OE1-NH2 2.74Å; E321-R590 IonicContact OE2-CZ 3.09Å; E321-R590 IonicContact OE2-NE 2.73Å; E321-R590 PolarHBondContact OE2-NE 2.82Å; E321-R590 IonicContact OE2-NH2 2.72Å; E321-R590 PolarHBondContact OE2-NH2 2.93Å; H586-R590 VanDerWaalsContact O-CB 3.23Å; H586-R590 WeakPolarHBondContact O-CB 3.38Å; H586-R590 PolarHBondContact O-N 2.83Å; R587-R590 PolarHBondContact O-N 3.03Å; R590-A593 WeakPolarHBondContact O-CB 3.47Å; R590-A593 PolarHBondContact O-N 3.31Å; R590-L594 PolarHBondContact O-N 3.38Å
591	H	51.9	Low	45.8	Very low	83 Å²	83	90 Å²	90	38%	0.384	46%	0.455	S	S	.	.	H	α-helix	trans	-65.7	-38.4	172.3	-161.7	-55.7	0	0	0	111.8	R587 A593 L594 H595	R587-H591 WeakPolarHBondContact O-CB 3.36Å; R587-H591 PolarHBondContact O-N 2.71Å; H591-A593 VanDerWaalsContact C-N 3.34Å; H591-L594 PolarHBondContact O-N 2.99Å; H591-H595 VanDerWaalsContact O-CB 3.24Å; H591-H595 WeakPolarHBondContact O-CB 3.49Å; H591-H595 PolarHBondContact O-N 3.2Å
592	Q	44.3	Very low	46.1	Very low	101 Å²	101	90.4 Å²	90.4	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-39.5	170.6	-80.3	179.2	-8.2	0	0	111.6	H588 N596	H588-Q592 WeakPolarHBondContact O-CB 3.4Å; H588-Q592 VanDerWaalsContact O-CG 3.31Å; H588-Q592 WeakPolarHBondContact O-CG 3.49Å; H588-Q592 PolarHBondContact O-N 3.47Å; Q592-N596 WeakPolarHBondContact O-CB 3.31Å; Q592-N596 PolarHBondContact O-N 3.16Å; Q592-N596 PolarHBondContact O-ND2 3.43Å
593	A	46	Very low	46.4	Very low	58 Å²	58	94.3 Å²	94.3	48%	0.479	47%	0.468	S	S	.	.	H	α-helix	trans	-63.8	-42.7	176.9	0	0	0	0	0	112.4	Q589 R590 H591 L597	Q589-A593 WeakPolarHBondContact O-CB 3.35Å; Q589-A593 PolarHBondContact O-N 3.2Å; Q589-A593 VanDerWaalsContact O-N 3.08Å; R590-A593 WeakPolarHBondContact O-CB 3.47Å; R590-A593 PolarHBondContact O-N 3.31Å; H591-A593 VanDerWaalsContact C-N 3.34Å; A593-L597 WeakPolarHBondContact O-CB 3.38Å; A593-L597 PolarHBondContact O-N 3.36Å
594	L	47.3	Very low	45.8	Very low	72 Å²	72	97.9 Å²	97.9	38%	0.377	49%	0.487	S	S	.	.	H	α-helix	trans	-71.2	-43	177.7	-73.2	165.2	0	0	0	112.6	R590 H591 N596 L597 N598	R590-L594 PolarHBondContact O-N 3.38Å; H591-L594 PolarHBondContact O-N 2.99Å; L594-N596 VanDerWaalsContact C-N 3.27Å; L594-N596 PolarHBondContact O-N 3.21Å; L594-L597 WeakPolarHBondContact O-CB 3.27Å; L594-L597 PolarHBondContact O-N 3.07Å; L594-L597 VanDerWaalsContact O-N 3.08Å; L594-N598 PolarHBondContact O-N 3.33Å
595	H	44.8	Very low	45.5	Very low	99 Å²	99	101.9 Å²	101.9	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-37.8	174.2	-170.2	-41.5	0	0	0	111.3	H591 N599	H591-H595 VanDerWaalsContact O-CB 3.24Å; H591-H595 WeakPolarHBondContact O-CB 3.49Å; H591-H595 PolarHBondContact O-N 3.2Å; H595-N599 PolarHBondContact CE1-ND2 3Å; H595-N599 PolarHBondContact ND1-ND2 3.33Å; H595-N599 VanDerWaalsContact ND1-ND2 3.16Å; H595-N599 WeakPolarHBondContact O-CB 3.4Å; H595-N599 PolarHBondContact O-N 2.92Å
596	N	44.6	Very low	45.5	Very low	94 Å²	94	103.8 Å²	103.8	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-69	-34.9	174.2	-72.1	-26.4	0	0	0	112	Q592 L594 N600	Q592-N596 WeakPolarHBondContact O-CB 3.31Å; Q592-N596 PolarHBondContact O-N 3.16Å; Q592-N596 PolarHBondContact O-ND2 3.43Å; L594-N596 VanDerWaalsContact C-N 3.27Å; L594-N596 PolarHBondContact O-N 3.21Å; N596-N600 WeakPolarHBondContact O-CB 3.36Å; N596-N600 PolarHBondContact O-N 3.42Å; N596-N600 VanDerWaalsContact O-N 3.11Å; N596-N600 PolarHBondContact O-ND2 3.19Å
597	L	44.2	Very low	45.2	Very low	101 Å²	101	102.8 Å²	102.8	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-68.6	-44.9	176.4	-159.3	80.5	0	0	0	111.9	A593 L594 N600 L601	A593-L597 WeakPolarHBondContact O-CB 3.38Å; A593-L597 PolarHBondContact O-N 3.36Å; L594-L597 WeakPolarHBondContact O-CB 3.27Å; L594-L597 PolarHBondContact O-N 3.07Å; L594-L597 VanDerWaalsContact O-N 3.08Å; L597-N600 PolarHBondContact O-N 3.07Å; L597-L601 PolarHBondContact O-N 3.33Å
598	N	41.8	Very low	44.2	Very low	89 Å²	89	108 Å²	108	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-66.7	-39.1	177.5	-80.9	-3	0	0	0	112.3	L594 N600 L601 N602	L594-N598 PolarHBondContact O-N 3.33Å; N598-N600 VanDerWaalsContact C-N 3.3Å; N598-N600 PolarHBondContact O-N 3.11Å; N598-L601 PolarHBondContact O-N 3.19Å; N598-N602 PolarHBondContact O-N 2.64Å
599	N	43.5	Very low	44	Very low	70 Å²	70	107.6 Å²	107.6	37%	0.374	56%	0.559	S	S	.	*	H	α-helix	trans	-62.2	-37.7	171.9	-83.4	-9.4	0	0	0	112.3	H595 Q603	H595-N599 PolarHBondContact CE1-ND2 3Å; H595-N599 PolarHBondContact ND1-ND2 3.33Å; H595-N599 VanDerWaalsContact ND1-ND2 3.16Å; H595-N599 WeakPolarHBondContact O-CB 3.4Å; H595-N599 PolarHBondContact O-N 2.92Å; N599-Q603 WeakPolarHBondContact O-CB 3.28Å; N599-Q603 WeakPolarHBondContact O-CG 3.41Å; N599-Q603 PolarHBondContact O-N 2.78Å
600	N	43.3	Very low	43.6	Very low	90 Å²	90	106.6 Å²	106.6	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-71.5	-31.2	177.1	-75.7	-33.2	0	0	0	112.8	N596 L597 N598 N604	N596-N600 WeakPolarHBondContact O-CB 3.36Å; N596-N600 PolarHBondContact O-N 3.42Å; N596-N600 VanDerWaalsContact O-N 3.11Å; N596-N600 PolarHBondContact O-ND2 3.19Å; L597-N600 PolarHBondContact O-N 3.07Å; N598-N600 VanDerWaalsContact C-N 3.3Å; N598-N600 PolarHBondContact O-N 3.11Å; N600-N604 PolarHBondContact O-N 3.05Å; N600-N604 PolarHBondContact O-ND2 2.96Å
601	L	43.5	Very low	42.8	Very low	102 Å²	102	113.2 Å²	113.2	53%	0.534	61%	0.607	S	S	.	*	H	α-helix	trans	-72.8	-40.7	174.5	-76.8	161.8	0	0	0	111.7	L597 N598 N604	L597-L601 PolarHBondContact O-N 3.33Å; N598-L601 PolarHBondContact O-N 3.19Å; L601-N604 PolarHBondContact O-N 3.17Å
602	N	41.6	Very low	42.3	Very low	104 Å²	104	114.8 Å²	114.8	56%	0.556	62%	0.618	S	S	*	*	H	α-helix	trans	-70.4	-36.7	176.9	-74.2	-13.4	0	0	0	112.6	N598 N604 Q605	N598-N602 PolarHBondContact O-N 2.64Å; N602-N604 VanDerWaalsContact C-N 3.27Å; N602-N604 PolarHBondContact O-N 3.23Å; N602-Q605 PolarHBondContact O-N 3.19Å
603	Q	44	Very low	42.2	Very low	131 Å²	131	115.5 Å²	115.5	61%	0.612	63%	0.625	S	S	*	*	H	α-helix	trans	-68.3	-23.5	174.9	-77.6	-177.5	3.6	0	0	113.8	N599	N599-Q603 WeakPolarHBondContact O-CB 3.28Å; N599-Q603 WeakPolarHBondContact O-CG 3.41Å; N599-Q603 PolarHBondContact O-N 2.78Å
604	N	41.2	Very low	42	Very low	130 Å²	130	118.7 Å²	118.7	70%	0.695	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-8.6	177.7	-78.6	-34.8	0	0	0	113.9	N600 L601 N602	N600-N604 PolarHBondContact O-N 3.05Å; N600-N604 PolarHBondContact O-ND2 2.96Å; L601-N604 PolarHBondContact O-N 3.17Å; N602-N604 VanDerWaalsContact C-N 3.27Å; N602-N604 PolarHBondContact O-N 3.23Å
605	Q	40.6	Very low	41.7	Very low	165 Å²	165	121.4 Å²	121.4	77%	0.771	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-15.6	173.1	-71	-168.7	-4.7	0	0	113.7	N602	N602-Q605 PolarHBondContact O-N 3.19Å
606	D	40.2	Very low	41.5	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	66%	0.66	S	S	*	*	S	Bend	trans	-96.2	9.4	-177.5	-85.9	-25.5	0	0	0	115.2
607	V	41.2	Very low	41.3	Very low	113 Å²	113	124.7 Å²	124.7	69%	0.685	67%	0.671	S	S	*	*			trans	-114.4	82.7	176.5	-168.4	0	0	0	0	110.9
608	N	34.2	Very low	41.1	Very low	158 Å²	158	126.4 Å²	126.4	85%	0.845	68%	0.681	S	S	*	*			trans	-112.9	114.3	154.6	-115.8	-14.7	0	0	0	108.1
609	P	44.5	Very low	41	Very low	109 Å²	109	129.3 Å²	129.3	71%	0.708	70%	0.697	S	S	*	*			trans	-79.9	139.4	177.9	32.2	-29.9	0	0	0	109.9	H611	P609-H611 PolarHBondContact O-N 3.36Å
610	A	38	Very low	40.8	Very low	92 Å²	92	134.3 Å²	134.3	76%	0.76	72%	0.724	S	S	*	*			trans	-55.3	126.7	165.2	0	0	0	0	0	110.8
611	H	37.2	Very low	40.6	Very low	268 Å²	268	138.3 Å²	138.3	100%	1.241	75%	0.746	S	S	*	*			trans	-159.2	0	138.2	-98.9	-49.5	0	0	0	111.4	P609	P609-H611 PolarHBondContact O-N 3.36Å

Retrieved 611 of 611 residues in 176.6 ms (Link to these results)

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